G4LZP0_SCHMA Loading...

Protein aveugle, putative AlphaSync

AlphaFold DB , UniProt , Accession G4LZP0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 144 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
1M67.2Low79.5Confident164 Ų16476.9 Ų76.981%0.80841%0.405SS*.  0129.70-82.4-173.1-119.200109.4E5 I6M1-E5 VanDerWaalsContact C-OE2 3.31Å; M1-E5 WeakPolarHBondContact CA-OE2 3.33Å; M1-E5 HydrophobicContact CB-CB 4.42Å; M1-E5 WeakPolarHBondContact CB-OE2 3.18Å; M1-I6 HydrophobicContact CB-CG1 4.15Å
2S82.4Confident80.1Confident56 Ų5671 Ų7139%0.39237%0.374SS..  trans-72.7162.9173.973.50000111.3A4 E5 I6S2-A4 VanDerWaalsContact C-N 3.26Å; S2-A4 PolarHBondContact O-N 2.78Å; S2-E5 PolarHBondContact N-OE2 3.27Å; S2-E5 PolarHBondContact O-N 3.41Å; S2-E5 VanDerWaalsContact OG-CG 3.3Å; S2-E5 WeakPolarHBondContact OG-CG 3.45Å; S2-E5 PolarHBondContact OG-N 3.22Å; S2-E5 VanDerWaalsContact OG-N 3.12Å; S2-I6 VanDerWaalsContact O-CG1 3.3Å; S2-I6 WeakPolarHBondContact O-CG1 3.41Å; S2-I6 PolarHBondContact O-N 3.24Å
3F78.9Confident80.8Confident51 Ų5165.7 Ų65.722%0.22435%0.346CS..Hα-helixtrans-60-39.3175.8-177-103.8000111.8I6 C7 L16 L17 K105F3-I6 WeakPolarHBondContact O-CB 3.29Å; F3-I6 PolarHBondContact O-N 3.18Å; F3-C7 PolarHBondContact O-N 3.05Å; F3-C7 PolarHBondContact O-SG 3.08Å; F3-L16 HydrophobicContact CE1-CB 4.07Å; F3-L16 HydrophobicContact CZ-CB 4.19Å; F3-L16 HydrophobicContact CZ-CD1 4.1Å; F3-L17 HydrophobicContact CD1-CD2 4.14Å; F3-L17 HydrophobicContact CE1-CD2 4.32Å; F3-K105 HydrophobicContact CE2-CD 4.28Å
4A84.1Confident81.5Confident40 Ų4072.1 Ų72.133%0.33137%0.37SS..Hα-helixtrans-61.6-44.417500000112.6S2 I6 C7 N8 L17S2-A4 VanDerWaalsContact C-N 3.26Å; S2-A4 PolarHBondContact O-N 2.78Å; A4-I6 VanDerWaalsContact C-N 3.29Å; A4-I6 PolarHBondContact O-N 3.02Å; A4-C7 PolarHBondContact O-N 3.44Å; A4-N8 WeakPolarHBondContact O-CB 3.48Å; A4-N8 VanDerWaalsContact O-CG 3.32Å; A4-N8 PolarHBondContact O-N 3.25Å; A4-N8 PolarHBondContact O-ND2 3.37Å; A4-L17 HydrophobicContact CB-CD2 4.08Å
5E83.7Confident82.2Confident91 Ų9167.5 Ų67.543%0.42535%0.347SS..Hα-helixtrans-60.7-39.4174.5-74.4166.6-179.600111.8M1 S2 N8 N9M1-E5 VanDerWaalsContact C-OE2 3.31Å; M1-E5 WeakPolarHBondContact CA-OE2 3.33Å; M1-E5 HydrophobicContact CB-CB 4.42Å; M1-E5 WeakPolarHBondContact CB-OE2 3.18Å; S2-E5 PolarHBondContact N-OE2 3.27Å; S2-E5 PolarHBondContact O-N 3.41Å; S2-E5 VanDerWaalsContact OG-CG 3.3Å; S2-E5 WeakPolarHBondContact OG-CG 3.45Å; S2-E5 PolarHBondContact OG-N 3.22Å; S2-E5 VanDerWaalsContact OG-N 3.12Å; E5-N8 PolarHBondContact O-N 3.3Å; E5-N9 WeakPolarHBondContact O-CB 3.42Å; E5-N9 PolarHBondContact O-N 2.6Å; E5-N9 PolarHBondContact O-ND2 3.27Å
6I81Confident82.8Confident7 Ų763.7 Ų63.74%0.03633%0.327CS..Hα-helixtrans-64-48.5176.5-62.9161000109.8M1 S2 F3 A4 N8 N9 T10 L12 T116 F117M1-I6 HydrophobicContact CB-CG1 4.15Å; S2-I6 VanDerWaalsContact O-CG1 3.3Å; S2-I6 WeakPolarHBondContact O-CG1 3.41Å; S2-I6 PolarHBondContact O-N 3.24Å; F3-I6 WeakPolarHBondContact O-CB 3.29Å; F3-I6 PolarHBondContact O-N 3.18Å; A4-I6 VanDerWaalsContact C-N 3.29Å; A4-I6 PolarHBondContact O-N 3.02Å; I6-N8 VanDerWaalsContact C-N 3.26Å; I6-N8 PolarHBondContact O-N 3.06Å; I6-N9 PolarHBondContact O-N 3.46Å; I6-T10 HydrophobicContact CG2-CG2 4.3Å; I6-T10 WeakPolarHBondContact O-CB 3.27Å; I6-T10 WeakPolarHBondContact O-CG2 3.38Å; I6-T10 PolarHBondContact O-N 3.34Å; I6-T10 PolarHBondContact O-OG1 3.38Å; I6-L12 HydrophobicContact CG2-CD1 3.95Å; I6-T116 HydrophobicContact CD1-CG2 3.67Å; I6-T116 HydrophobicContact CG1-CG2 4.43Å; I6-F117 HydrophobicContact CG2-CB 3.74Å
7C80.9Confident83.4Confident2 Ų264.1 Ų64.11%0.01433%0.33CS..Hα-helixtrans-60.3-34.4177.8-72.20000112.9F3 A4 T10 L17F3-C7 PolarHBondContact O-N 3.05Å; F3-C7 PolarHBondContact O-SG 3.08Å; A4-C7 PolarHBondContact O-N 3.44Å; C7-T10 VanDerWaalsContact O-O 3.05Å; C7-L17 HydrophobicContact CB-CD1 3.98Å; C7-L17 HydrophobicContact CB-CD2 4.3Å; C7-L17 HydrophobicContact CB-CG 4.17Å
8N83.7Confident84Confident102 Ų10264.2 Ų64.255%0.54533%0.326SS..Hα-helixtrans-79.3-34.9179.1-70.7-23.7000113.3A4 E5 I6A4-N8 WeakPolarHBondContact O-CB 3.48Å; A4-N8 VanDerWaalsContact O-CG 3.32Å; A4-N8 PolarHBondContact O-N 3.25Å; A4-N8 PolarHBondContact O-ND2 3.37Å; E5-N8 PolarHBondContact O-N 3.3Å; I6-N8 VanDerWaalsContact C-N 3.26Å; I6-N8 PolarHBondContact O-N 3.06Å
9N79.1Confident84.7Confident122 Ų12265 Ų6565%0.65233%0.331SS*.Hα-helixtrans-91.2-6.8-176.1-66.4-21.7000113.7E5 I6E5-N9 WeakPolarHBondContact O-CB 3.42Å; E5-N9 PolarHBondContact O-N 2.6Å; E5-N9 PolarHBondContact O-ND2 3.27Å; I6-N9 PolarHBondContact O-N 3.46Å
10T76.7Confident85.3Confident32 Ų3263 Ų6320%0.19632%0.321CS..SBendtrans-125.2161.9178.766.90000109.9I6 C7 L12 F117 P118I6-T10 HydrophobicContact CG2-CG2 4.3Å; I6-T10 WeakPolarHBondContact O-CB 3.27Å; I6-T10 WeakPolarHBondContact O-CG2 3.38Å; I6-T10 PolarHBondContact O-N 3.34Å; I6-T10 PolarHBondContact O-OG1 3.38Å; C7-T10 VanDerWaalsContact O-O 3.05Å; T10-L12 PolarHBondContact O-N 3.08Å; T10-L12 WeakPolarHBondContact OG1-CG 3.31Å; T10-F117 HydrophobicContact CG2-CB 4.42Å; T10-F117 HydrophobicContact CG2-CD1 3.92Å; T10-P118 HydrophobicContact CG2-CG 4.39Å
11Q76.5Confident85.9Confident179 Ų17965.3 Ų65.384%0.83634%0.335SS*.SBendtrans-7530.7175-89.7151.3-27.200113.5
12L86.9Confident87.3Confident6 Ų662 Ų623%0.03132%0.317CS..SBendtrans-72.3154170.5-73.4178.1000110.4I6 T10 K14 V98 F101 F117I6-L12 HydrophobicContact CG2-CD1 3.95Å; T10-L12 PolarHBondContact O-N 3.08Å; T10-L12 WeakPolarHBondContact OG1-CG 3.31Å; L12-K14 PolarHBondContact O-N 3.34Å; L12-V98 HydrophobicContact CD2-CG1 3.9Å; L12-V98 HydrophobicContact CD2-CG2 4.45Å; L12-F101 HydrophobicContact CD1-CD1 4.06Å; L12-F101 HydrophobicContact CD1-CE1 3.44Å; L12-F101 VanDerWaalsContact CD1-CE1 3.44Å; L12-F101 HydrophobicContact CD1-CZ 4.18Å; L12-F101 HydrophobicContact CD2-CD1 3.79Å; L12-F101 HydrophobicContact CD2-CE1 4.07Å; L12-F101 HydrophobicContact CG-CE1 4.41Å; L12-F117 HydrophobicContact CD1-CB 3.95Å; L12-F117 HydrophobicContact CD1-CD2 4.33Å; L12-F117 HydrophobicContact CD1-CG 4.16Å; L12-F117 HydrophobicContact CD2-CD2 3.8Å; L12-F117 HydrophobicContact CD2-CE2 3.92Å; L12-F117 HydrophobicContact CD2-CG 4.26Å; L12-F117 HydrophobicContact CD2-CZ 4.47Å; L12-F117 HydrophobicContact CG-CD2 4.24Å; L12-F117 HydrophobicContact CG-CG 4.2Å
13P89.8Confident88Confident2 Ų259.3 Ų59.31%0.01330%0.298CS..  trans-63.5125.7-179.6-17.429.4000111.4A15 L16 V78 L79 N80 L102P13-A15 PolarHBondContact O-N 3.47Å; P13-L16 HydrophobicContact CB-CG 4.33Å; P13-L16 HydrophobicContact CG-CD1 4.46Å; P13-L16 WeakPolarHBondContact O-CB 3.49Å; P13-L16 WeakPolarHBondContact O-CG 3.36Å; P13-L16 PolarHBondContact O-N 2.81Å; P13-V78 WeakPolarHBondContact CB-O 3.44Å; P13-L79 HydrophobicContact CB-CD2 4.35Å; P13-L79 HydrophobicContact CG-CB 4.38Å; P13-L79 HydrophobicContact CG-CD2 4.48Å; P13-L79 WeakPolarHBondContact CG-O 3.29Å; P13-N80 HydrophobicContact CG-CB 4.2Å; P13-L102 HydrophobicContact CG-CD1 4.42Å
14K90Very high88.8Confident155 Ų15557 Ų5767%0.67429%0.289SS*.G310 helixtrans-62.7-23.4174.4-66.9-175.2179.6-179.80112.4L12 L16 L17L12-K14 PolarHBondContact O-N 3.34Å; K14-L16 PolarHBondContact O-N 2.79Å; K14-L16 VanDerWaalsContact O-N 3.1Å; K14-L17 WeakPolarHBondContact O-CB 3.34Å; K14-L17 PolarHBondContact O-N 3.32Å
15A92.7Very high89.4Confident3 Ų357.5 Ų57.53%0.02529%0.29CS..G310 helixtrans-58.8-20.9176.600000114.2P13 L17 W18 G46 V78P13-A15 PolarHBondContact O-N 3.47Å; A15-L17 PolarHBondContact O-N 2.99Å; A15-L17 VanDerWaalsContact O-N 3.17Å; A15-W18 HydrophobicContact CB-CD2 3.73Å; A15-W18 HydrophobicContact CB-CE3 3.71Å; A15-W18 HydrophobicContact CB-CG 4.47Å; A15-W18 HydrophobicContact CB-CH2 3.79Å; A15-W18 HydrophobicContact CB-CZ2 3.79Å; A15-W18 HydrophobicContact CB-CZ3 3.74Å; A15-W18 VanDerWaalsContact O-CB 3.32Å; A15-W18 WeakPolarHBondContact O-CB 3.33Å; A15-W18 PolarHBondContact O-N 3.07Å; A15-W18 VanDerWaalsContact O-N 3.07Å; A15-G46 WeakPolarHBondContact O-CA 3.5Å; A15-V78 HydrophobicContact CB-CG1 3.16Å
16L91.4Very high90.1Very high7 Ų754.4 Ų54.44%0.03727%0.274CS..G310 helixtrans-66.1-14.4174.5-62.7174.5000114F3 P13 K14 I50 L79 L102F3-L16 HydrophobicContact CE1-CB 4.07Å; F3-L16 HydrophobicContact CZ-CB 4.19Å; F3-L16 HydrophobicContact CZ-CD1 4.1Å; P13-L16 HydrophobicContact CB-CG 4.33Å; P13-L16 HydrophobicContact CG-CD1 4.46Å; P13-L16 WeakPolarHBondContact O-CB 3.49Å; P13-L16 WeakPolarHBondContact O-CG 3.36Å; P13-L16 PolarHBondContact O-N 2.81Å; K14-L16 PolarHBondContact O-N 2.79Å; K14-L16 VanDerWaalsContact O-N 3.1Å; L16-I50 HydrophobicContact CD2-CD1 3.67Å; L16-I50 HydrophobicContact CD2-CG1 3.67Å; L16-L79 HydrophobicContact CD2-CD2 3.68Å; L16-L79 HydrophobicContact CG-CD2 4.32Å; L16-L102 HydrophobicContact CD1-CD2 3.43Å; L16-L102 VanDerWaalsContact CD1-CD2 3.43Å; L16-L102 HydrophobicContact CD2-CD2 4.21Å; L16-L102 HydrophobicContact CG-CD2 4.43Å
17L92.5Very high90.8Very high71 Ų7154 Ų5437%0.37227%0.273SS..G310 helixtrans-97.20176.9-57.5176.8000112.4F3 A4 C7 K14 A15F3-L17 HydrophobicContact CD1-CD2 4.14Å; F3-L17 HydrophobicContact CE1-CD2 4.32Å; A4-L17 HydrophobicContact CB-CD2 4.08Å; C7-L17 HydrophobicContact CB-CD1 3.98Å; C7-L17 HydrophobicContact CB-CD2 4.3Å; C7-L17 HydrophobicContact CB-CG 4.17Å; K14-L17 WeakPolarHBondContact O-CB 3.34Å; K14-L17 PolarHBondContact O-N 3.32Å; A15-L17 PolarHBondContact O-N 2.99Å; A15-L17 VanDerWaalsContact O-N 3.17Å
18W95.2Very high91.5Very high66 Ų6658 Ų5825%0.2529%0.291CS..  trans-68.5134.9-179.5-66.9-14.2000111.4A15 Q22 V23 W26 G46 L49 V78A15-W18 HydrophobicContact CB-CD2 3.73Å; A15-W18 HydrophobicContact CB-CE3 3.71Å; A15-W18 HydrophobicContact CB-CG 4.47Å; A15-W18 HydrophobicContact CB-CH2 3.79Å; A15-W18 HydrophobicContact CB-CZ2 3.79Å; A15-W18 HydrophobicContact CB-CZ3 3.74Å; A15-W18 VanDerWaalsContact O-CB 3.32Å; A15-W18 WeakPolarHBondContact O-CB 3.33Å; A15-W18 PolarHBondContact O-N 3.07Å; A15-W18 VanDerWaalsContact O-N 3.07Å; W18-Q22 VanDerWaalsContact CA-OE1 3.27Å; W18-Q22 HydrophobicContact CB-CB 3.84Å; W18-Q22 HydrophobicContact CG-CB 4.05Å; W18-V23 HydrophobicContact CB-CG2 3.93Å; W18-V23 HydrophobicContact CE3-CG2 4.18Å; W18-W26 HydrophobicContact CE3-CB 4.46Å; W18-W26 HydrophobicContact CH2-CB 4.28Å; W18-W26 AromaticContact CH2-CD1 3.77Å; W18-W26 HydrophobicContact CH2-CD2 4.38Å; W18-W26 AromaticContact CH2-CG 3.86Å; W18-W26 HydrophobicContact CH2-CG 3.86Å; W18-W26 HydrophobicContact CZ3-CB 3.87Å; W18-W26 AromaticContact CZ3-CD1 3.94Å; W18-W26 AromaticContact CZ3-CD2 3.81Å; W18-W26 HydrophobicContact CZ3-CD2 3.81Å; W18-W26 HydrophobicContact CZ3-CE3 4.33Å; W18-W26 AromaticContact CZ3-CG 3.55Å; W18-W26 HydrophobicContact CZ3-CG 3.55Å; W18-G46 PolarHBondContact O-N 3.41Å; W18-L49 HydrophobicContact CE3-CD1 4.3Å; W18-L49 HydrophobicContact CZ3-CD1 4.49Å; W18-V78 HydrophobicContact CH2-CG1 3.67Å; W18-V78 HydrophobicContact CH2-CG2 4.3Å; W18-V78 HydrophobicContact CZ3-CG1 3.68Å
19D96.3Very high92.1Very high79 Ų7959.2 Ų59.242%0.42230%0.297SS..  trans-76.3174.6164.971.425.5000111.2N21 Q22 V23D19-N21 VanDerWaalsContact C-N 3.26Å; D19-N21 PolarHBondContact O-N 3.11Å; D19-N21 WeakPolarHBondContact OD1-CA 3.43Å; D19-N21 WeakPolarHBondContact OD1-CB 3.16Å; D19-N21 PolarHBondContact OD1-N 3.24Å; D19-Q22 PolarHBondContact O-N 2.97Å; D19-Q22 WeakPolarHBondContact OD1-CB 3.35Å; D19-Q22 WeakPolarHBondContact OD1-CG 3.2Å; D19-Q22 PolarHBondContact OD1-N 2.88Å; D19-V23 WeakPolarHBondContact O-CG2 3.15Å; D19-V23 PolarHBondContact O-N 3.08Å
20V97.3Very high92.9Very high24 Ų2455.5 Ų55.515%0.14528%0.277CS..Hα-helixtrans-60-36.9-178.8-178.70000111.8V23 A24 T40 D45V20-V23 PolarHBondContact O-N 3.08Å; V20-A24 WeakPolarHBondContact O-CB 3.28Å; V20-A24 PolarHBondContact O-N 3.4Å; V20-T40 HydrophobicContact CG1-CG2 4.33Å; V20-D45 HydrophobicContact CG2-CB 4.12Å
21N96.8Very high93.8Very high112 Ų11256.5 Ų56.560%0.59929%0.294SS*.Hα-helixtrans-70.9-38.4-179.4-63.1-46.6000111.6D19 A24 S25D19-N21 VanDerWaalsContact C-N 3.26Å; D19-N21 PolarHBondContact O-N 3.11Å; D19-N21 WeakPolarHBondContact OD1-CA 3.43Å; D19-N21 WeakPolarHBondContact OD1-CB 3.16Å; D19-N21 PolarHBondContact OD1-N 3.24Å; N21-A24 PolarHBondContact O-N 2.94Å; N21-S25 WeakPolarHBondContact O-CB 3.35Å; N21-S25 PolarHBondContact O-N 3.08Å
22Q97.2Very high94.7Very high94 Ų9449.5 Ų49.544%0.43926%0.26SS..Hα-helixtrans-65.3-40.8175.5-72.3178.6-4900111W18 D19 W26W18-Q22 VanDerWaalsContact CA-OE1 3.27Å; W18-Q22 HydrophobicContact CB-CB 3.84Å; W18-Q22 HydrophobicContact CG-CB 4.05Å; D19-Q22 PolarHBondContact O-N 2.97Å; D19-Q22 WeakPolarHBondContact OD1-CB 3.35Å; D19-Q22 WeakPolarHBondContact OD1-CG 3.2Å; D19-Q22 PolarHBondContact OD1-N 2.88Å; Q22-W26 VanDerWaalsContact O-CB 3.32Å; Q22-W26 WeakPolarHBondContact O-CB 3.5Å; Q22-W26 PolarHBondContact O-N 2.93Å
23V97.2Very high95.1Very high0 Ų052.4 Ų52.40%028%0.28CS..Hα-helixtrans-63.8-44.8172.7175.40000110.9W18 D19 V20 S25 W26 I27 F39 I44 L49W18-V23 HydrophobicContact CB-CG2 3.93Å; W18-V23 HydrophobicContact CE3-CG2 4.18Å; D19-V23 WeakPolarHBondContact O-CG2 3.15Å; D19-V23 PolarHBondContact O-N 3.08Å; V20-V23 PolarHBondContact O-N 3.08Å; V23-S25 PolarHBondContact O-N 3.21Å; V23-W26 WeakPolarHBondContact O-CB 3.44Å; V23-W26 PolarHBondContact O-N 3.39Å; V23-I27 WeakPolarHBondContact O-CG1 3.49Å; V23-I27 PolarHBondContact O-N 2.9Å; V23-F39 HydrophobicContact CG1-CD1 3.85Å; V23-I44 WeakPolarHBondContact CB-O 3.44Å; V23-I44 HydrophobicContact CG1-CG2 4.29Å; V23-L49 HydrophobicContact CG1-CD2 4.1Å; V23-L49 HydrophobicContact CG2-CD1 4.21Å; V23-L49 HydrophobicContact CG2-CG 4.49Å
24A96.3Very high95.4Very high2 Ų257.2 Ų57.22%0.01730%0.303CS..Hα-helixtrans-62.1-42.6178.500000112.2V20 N21 W26 I27 E28 K36 T40V20-A24 WeakPolarHBondContact O-CB 3.28Å; V20-A24 PolarHBondContact O-N 3.4Å; N21-A24 PolarHBondContact O-N 2.94Å; A24-W26 VanDerWaalsContact C-N 3.35Å; A24-I27 PolarHBondContact O-N 3.03Å; A24-E28 PolarHBondContact O-N 3.5Å; A24-K36 HydrophobicContact CB-CG 3.9Å; A24-T40 VanDerWaalsContact CB-OG1 3.31Å; A24-T40 WeakPolarHBondContact CB-OG1 3.25Å
25S96.8Very high95.6Very high51 Ų5150.8 Ų50.836%0.35728%0.275SS..Hα-helixtrans-63.4-41.6173.4-166.80000111.3N21 V23 I27 E28 D29N21-S25 WeakPolarHBondContact O-CB 3.35Å; N21-S25 PolarHBondContact O-N 3.08Å; V23-S25 PolarHBondContact O-N 3.21Å; S25-I27 VanDerWaalsContact C-N 3.33Å; S25-I27 PolarHBondContact O-N 2.76Å; S25-E28 WeakPolarHBondContact O-CB 3.47Å; S25-E28 PolarHBondContact O-N 3.22Å; S25-E28 VanDerWaalsContact O-N 3.16Å; S25-D29 VanDerWaalsContact O-CG 3.24Å; S25-D29 PolarHBondContact O-N 3.38Å
26W97.1Very high95.7Very high26 Ų2654.2 Ų54.210%0.09829%0.289CS..Hα-helixtrans-62.1-40.1177.216970.9000112.3W18 Q22 V23 A24 E28 D29 I30 L49 K74 V75 V78W18-W26 HydrophobicContact CE3-CB 4.46Å; W18-W26 HydrophobicContact CH2-CB 4.28Å; W18-W26 AromaticContact CH2-CD1 3.77Å; W18-W26 HydrophobicContact CH2-CD2 4.38Å; W18-W26 AromaticContact CH2-CG 3.86Å; W18-W26 HydrophobicContact CH2-CG 3.86Å; W18-W26 HydrophobicContact CZ3-CB 3.87Å; W18-W26 AromaticContact CZ3-CD1 3.94Å; W18-W26 AromaticContact CZ3-CD2 3.81Å; W18-W26 HydrophobicContact CZ3-CD2 3.81Å; W18-W26 HydrophobicContact CZ3-CE3 4.33Å; W18-W26 AromaticContact CZ3-CG 3.55Å; W18-W26 HydrophobicContact CZ3-CG 3.55Å; Q22-W26 VanDerWaalsContact O-CB 3.32Å; Q22-W26 WeakPolarHBondContact O-CB 3.5Å; Q22-W26 PolarHBondContact O-N 2.93Å; V23-W26 WeakPolarHBondContact O-CB 3.44Å; V23-W26 PolarHBondContact O-N 3.39Å; A24-W26 VanDerWaalsContact C-N 3.35Å; W26-E28 VanDerWaalsContact C-N 3.28Å; W26-E28 PolarHBondContact O-N 3.41Å; W26-D29 PolarHBondContact O-N 3.15Å; W26-I30 HydrophobicContact CH2-CD1 4.08Å; W26-I30 HydrophobicContact CZ2-CD1 4.08Å; W26-I30 HydrophobicContact CZ2-CG2 4.17Å; W26-I30 HydrophobicContact CZ3-CD1 4.4Å; W26-I30 WeakPolarHBondContact O-CG1 3.32Å; W26-I30 PolarHBondContact O-N 2.96Å; W26-L49 HydrophobicContact CZ3-CD2 4.45Å; W26-K74 HydrophobicContact CH2-CB 4.23Å; W26-K74 HydrophobicContact CZ2-CB 3.9Å; W26-V75 HydrophobicContact CH2-CB 4.44Å; W26-V75 HydrophobicContact CH2-CG2 3.67Å; W26-V75 HydrophobicContact CZ3-CG2 4.08Å; W26-V78 HydrophobicContact CZ2-CB 4.19Å; W26-V78 HydrophobicContact CZ2-CG2 3.52Å
27I96.5Very high95.9Very high0 Ų060.7 Ų60.70%032%0.319CS..Hα-helixtrans-60.3-39.2174.6-72.2-65.4000111.4V23 A24 S25 I30 Y32 F39 I71V23-I27 WeakPolarHBondContact O-CG1 3.49Å; V23-I27 PolarHBondContact O-N 2.9Å; A24-I27 PolarHBondContact O-N 3.03Å; S25-I27 VanDerWaalsContact C-N 3.33Å; S25-I27 PolarHBondContact O-N 2.76Å; I27-I30 HydrophobicContact CD1-CD1 3.97Å; I27-I30 WeakPolarHBondContact O-CG1 3.43Å; I27-Y32 WeakPolarHBondContact CG2-O 3.39Å; I27-Y32 CarbonylContact O-C 3.5Å; I27-Y32 WeakPolarHBondContact O-CA 3.45Å; I27-Y32 WeakPolarHBondContact O-CB 3.39Å; I27-Y32 PolarHBondContact O-N 2.91Å; I27-F39 HydrophobicContact CD1-CD1 4.27Å; I27-F39 HydrophobicContact CD1-CD2 4.32Å; I27-F39 HydrophobicContact CD1-CE1 3.9Å; I27-F39 HydrophobicContact CD1-CE2 3.94Å; I27-F39 HydrophobicContact CD1-CG 4.47Å; I27-F39 HydrophobicContact CD1-CZ 3.72Å; I27-F39 HydrophobicContact CG1-CD1 4Å; I27-F39 HydrophobicContact CG1-CD2 4.12Å; I27-F39 HydrophobicContact CG1-CE1 4.16Å; I27-F39 HydrophobicContact CG1-CE2 4.26Å; I27-F39 HydrophobicContact CG1-CG 3.99Å; I27-F39 HydrophobicContact CG1-CZ 4.28Å; I27-I71 HydrophobicContact CD1-CG2 4.47Å
28E96.1Very high96Very high85 Ų8558.6 Ų58.640%0.39731%0.31SS..Hα-helixtrans-66.4-43.6173.5-179.7167.4-148.200111.7A24 S25 W26 I30 G31 K36A24-E28 PolarHBondContact O-N 3.5Å; S25-E28 WeakPolarHBondContact O-CB 3.47Å; S25-E28 PolarHBondContact O-N 3.22Å; S25-E28 VanDerWaalsContact O-N 3.16Å; W26-E28 VanDerWaalsContact C-N 3.28Å; W26-E28 PolarHBondContact O-N 3.41Å; E28-I30 VanDerWaalsContact C-N 3.31Å; E28-I30 PolarHBondContact O-N 2.57Å; E28-G31 WeakPolarHBondContact O-CA 3.14Å; E28-G31 PolarHBondContact O-N 3.33Å; E28-K36 HydrophobicContact CB-CD 4.45Å; E28-K36 IonicContact OE2-NZ 3.89Å; E28-K36 PolarHBondContact OE2-NZ 3.19Å
29D96.4Very high96Very high127 Ų12755.5 Ų55.568%0.67930%0.298SS*.Hα-helixtrans-63-33.3-179.9-67.4-27000113.2S25 W26 G31S25-D29 VanDerWaalsContact O-CG 3.24Å; S25-D29 PolarHBondContact O-N 3.38Å; W26-D29 PolarHBondContact O-N 3.15Å; D29-G31 PolarHBondContact O-N 3.42Å
30I95.8Very high96Very high44 Ų4453.9 Ų53.923%0.22629%0.291CS..THydrogen-bonded Turntrans-79.10.7175.161.7168.2000113.3W26 I27 E28 Y32 K74W26-I30 HydrophobicContact CH2-CD1 4.08Å; W26-I30 HydrophobicContact CZ2-CD1 4.08Å; W26-I30 HydrophobicContact CZ2-CG2 4.17Å; W26-I30 HydrophobicContact CZ3-CD1 4.4Å; W26-I30 WeakPolarHBondContact O-CG1 3.32Å; W26-I30 PolarHBondContact O-N 2.96Å; I27-I30 HydrophobicContact CD1-CD1 3.97Å; I27-I30 WeakPolarHBondContact O-CG1 3.43Å; E28-I30 VanDerWaalsContact C-N 3.31Å; E28-I30 PolarHBondContact O-N 2.57Å; I30-Y32 HydrophobicContact CD1-CD2 3.65Å; I30-Y32 HydrophobicContact CD1-CE2 4.37Å; I30-Y32 HydrophobicContact CG1-CD2 3.76Å; I30-K74 HydrophobicContact CD1-CB 4.19Å; I30-K74 HydrophobicContact CD1-CG 4.45Å; I30-K74 HydrophobicContact CG2-CD 4.33Å
31G95.3Very high95.9Very high53 Ų5359.7 Ų59.755%0.54632%0.317SS..THydrogen-bonded Turntrans95.213175.400000115.4E28 D29E28-G31 WeakPolarHBondContact O-CA 3.14Å; E28-G31 PolarHBondContact O-N 3.33Å; D29-G31 PolarHBondContact O-N 3.42Å
32Y95Very high95.8Very high33 Ų3357.9 Ų57.913%0.12931%0.307CS..  trans-112.642.5-175-72.8-63.8000112.4I27 I30 Q34 Y35 D67 S70 I71I27-Y32 WeakPolarHBondContact CG2-O 3.39Å; I27-Y32 CarbonylContact O-C 3.5Å; I27-Y32 WeakPolarHBondContact O-CA 3.45Å; I27-Y32 WeakPolarHBondContact O-CB 3.39Å; I27-Y32 PolarHBondContact O-N 2.91Å; I30-Y32 HydrophobicContact CD1-CD2 3.65Å; I30-Y32 HydrophobicContact CD1-CE2 4.37Å; I30-Y32 HydrophobicContact CG1-CD2 3.76Å; Y32-Q34 VanDerWaalsContact C-OE1 3.22Å; Y32-Q34 PolarHBondContact O-N 3.34Å; Y32-Q34 VanDerWaalsContact O-N 3.08Å; Y32-Y35 HydrophobicContact CD1-CD2 4.02Å; Y32-Y35 AromaticContact CD1-CE2 3.95Å; Y32-Y35 HydrophobicContact CD1-CE2 3.95Å; Y32-Y35 HydrophobicContact CG-CD2 4.33Å; Y32-Y35 PolarHBondContact O-N 2.69Å; Y32-D67 HydrophobicContact CD1-CB 4.47Å; Y32-D67 HydrophobicContact CE1-CB 3.96Å; Y32-D67 WeakPolarHBondContact CE1-OD1 3.38Å; Y32-S70 WeakPolarHBondContact OH-CB 3.44Å; Y32-S70 PolarHBondContact OH-OG 3.46Å; Y32-I71 HydrophobicContact CD1-CD1 4.17Å; Y32-I71 HydrophobicContact CD1-CG1 4.39Å; Y32-I71 HydrophobicContact CD2-CD1 4.12Å; Y32-I71 HydrophobicContact CD2-CG1 3.57Å; Y32-I71 HydrophobicContact CE2-CG1 3.76Å; Y32-I71 HydrophobicContact CG-CD1 3.95Å; Y32-I71 HydrophobicContact CG-CG1 3.94Å
33S95.2Very high95.7Very high66 Ų6659.4 Ų59.446%0.46231%0.314SS..G310 helixtrans-56-28.6-176.3600000113.9Y35 K36S33-Y35 PolarHBondContact O-N 2.83Å; S33-K36 WeakPolarHBondContact O-CB 3.4Å; S33-K36 PolarHBondContact O-N 3.16Å; S33-K36 VanDerWaalsContact O-N 3.11Å
34Q95.4Very high95.7Very high104 Ų10460.1 Ų60.149%0.48632%0.318SS..G310 helixtrans-61.7-25.1175.570-85.225.200113.7Y32Y32-Q34 VanDerWaalsContact C-OE1 3.22Å; Y32-Q34 PolarHBondContact O-N 3.34Å; Y32-Q34 VanDerWaalsContact O-N 3.08Å
35Y95.5Very high95.6Very high20 Ų2062.7 Ų62.78%0.07833%0.332CS..G310 helixtrans-97.11.4178.7-57.5-55.2000112.9Y32 S33 E37 C38 F39 V62 D67 I71Y32-Y35 HydrophobicContact CD1-CD2 4.02Å; Y32-Y35 AromaticContact CD1-CE2 3.95Å; Y32-Y35 HydrophobicContact CD1-CE2 3.95Å; Y32-Y35 HydrophobicContact CG-CD2 4.33Å; Y32-Y35 PolarHBondContact O-N 2.69Å; S33-Y35 PolarHBondContact O-N 2.83Å; Y35-E37 VanDerWaalsContact C-N 3.35Å; Y35-E37 PolarHBondContact O-N 3.21Å; Y35-C38 WeakPolarHBondContact O-CB 3.45Å; Y35-C38 PolarHBondContact O-N 3.38Å; Y35-F39 WeakPolarHBondContact O-CD2 3.43Å; Y35-F39 PolarHBondContact O-N 3.43Å; Y35-F39 VanDerWaalsContact O-N 3.08Å; Y35-V62 HydrophobicContact CD1-CB 4.37Å; Y35-V62 HydrophobicContact CD1-CG2 3.77Å; Y35-V62 HydrophobicContact CD2-CG1 4.29Å; Y35-V62 HydrophobicContact CD2-CG2 4.18Å; Y35-V62 HydrophobicContact CE1-CB 4.22Å; Y35-V62 HydrophobicContact CE1-CG1 4.15Å; Y35-V62 HydrophobicContact CE1-CG2 4.13Å; Y35-V62 HydrophobicContact CE2-CG1 3.91Å; Y35-V62 HydrophobicContact CG-CG2 3.8Å; Y35-D67 HydrophobicContact CE2-CB 3.81Å; Y35-D67 WeakPolarHBondContact CE2-OD2 3.43Å; Y35-D67 VanDerWaalsContact CZ-OD2 3.31Å; Y35-D67 PolarHBondContact OH-OD2 3.02Å; Y35-I71 HydrophobicContact CD2-CD1 3.75Å; Y35-I71 HydrophobicContact CE2-CD1 4.1Å
36K95.3Very high95.4Very high74 Ų7460.3 Ų60.332%0.32232%0.315SS..Hα-helixtrans-57.3-46.4179.7-177.7-179.6-179.5171.50112.3A24 E28 S33 F39 T40A24-K36 HydrophobicContact CB-CG 3.9Å; E28-K36 HydrophobicContact CB-CD 4.45Å; E28-K36 IonicContact OE2-NZ 3.89Å; E28-K36 PolarHBondContact OE2-NZ 3.19Å; S33-K36 WeakPolarHBondContact O-CB 3.4Å; S33-K36 PolarHBondContact O-N 3.16Å; S33-K36 VanDerWaalsContact O-N 3.11Å; K36-F39 PolarHBondContact O-N 3.21Å; K36-T40 PolarHBondContact O-N 3.47Å; K36-T40 VanDerWaalsContact O-N 3.07Å; K36-T40 PolarHBondContact O-OG1 3.39Å
37E95Very high95.1Very high143 Ų14363.3 Ų63.367%0.66833%0.326SS*.Hα-helixtrans-63.4-44.3176.6-81.6-177.2166.100111Y35 F39 T40 E41Y35-E37 VanDerWaalsContact C-N 3.35Å; Y35-E37 PolarHBondContact O-N 3.21Å; E37-F39 VanDerWaalsContact C-N 3.29Å; E37-F39 PolarHBondContact O-N 2.95Å; E37-T40 PolarHBondContact O-N 3.48Å; E37-E41 WeakPolarHBondContact O-CB 3.06Å; E37-E41 WeakPolarHBondContact O-CG 3.47Å; E37-E41 PolarHBondContact O-N 2.9Å
38C94.6Very high94.9Very high28 Ų2865.1 Ų65.119%0.18934%0.339CS..Hα-helixtrans-53.3-45.1176.8-59.90000112.5Y35 N42 L60Y35-C38 WeakPolarHBondContact O-CB 3.45Å; Y35-C38 PolarHBondContact O-N 3.38Å; C38-N42 WeakPolarHBondContact O-CB 3.48Å; C38-N42 PolarHBondContact O-N 3.06Å; C38-N42 PolarHBondContact O-ND2 3Å; C38-L60 WeakPolarHBondContact CB-O 3.37Å
39F95.6Very high94.8Very high0 Ų061.1 Ų61.10%032%0.32CS..Hα-helixtrans-70.9-35178.1-83.8-109000112.7V23 I27 Y35 K36 E37 Q43 I44 L49 L57 V62 I71V23-F39 HydrophobicContact CG1-CD1 3.85Å; I27-F39 HydrophobicContact CD1-CD1 4.27Å; I27-F39 HydrophobicContact CD1-CD2 4.32Å; I27-F39 HydrophobicContact CD1-CE1 3.9Å; I27-F39 HydrophobicContact CD1-CE2 3.94Å; I27-F39 HydrophobicContact CD1-CG 4.47Å; I27-F39 HydrophobicContact CD1-CZ 3.72Å; I27-F39 HydrophobicContact CG1-CD1 4Å; I27-F39 HydrophobicContact CG1-CD2 4.12Å; I27-F39 HydrophobicContact CG1-CE1 4.16Å; I27-F39 HydrophobicContact CG1-CE2 4.26Å; I27-F39 HydrophobicContact CG1-CG 3.99Å; I27-F39 HydrophobicContact CG1-CZ 4.28Å; Y35-F39 WeakPolarHBondContact O-CD2 3.43Å; Y35-F39 PolarHBondContact O-N 3.43Å; Y35-F39 VanDerWaalsContact O-N 3.08Å; K36-F39 PolarHBondContact O-N 3.21Å; E37-F39 VanDerWaalsContact C-N 3.29Å; E37-F39 PolarHBondContact O-N 2.95Å; F39-Q43 PolarHBondContact O-N 2.96Å; F39-I44 HydrophobicContact CB-CB 4.41Å; F39-I44 HydrophobicContact CD1-CB 3.8Å; F39-I44 HydrophobicContact CD1-CG1 4.1Å; F39-I44 HydrophobicContact CD1-CG2 3.72Å; F39-I44 HydrophobicContact CE1-CG2 4.08Å; F39-I44 HydrophobicContact CG-CB 4.46Å; F39-I44 PolarHBondContact O-N 3.34Å; F39-L49 HydrophobicContact CE1-CD2 4.28Å; F39-L57 HydrophobicContact CE2-CD2 4.42Å; F39-L57 HydrophobicContact CZ-CD2 3.93Å; F39-V62 HydrophobicContact CE2-CG2 4.21Å; F39-I71 HydrophobicContact CZ-CG2 4.35Å
40T95.6Very high94.5Very high45 Ų4555.8 Ų55.828%0.27629%0.292SS..Hα-helixtrans-71.8-46.7-179.5-52.60000111.5V20 A24 K36 E37 N42 Q43V20-T40 HydrophobicContact CG1-CG2 4.33Å; A24-T40 VanDerWaalsContact CB-OG1 3.31Å; A24-T40 WeakPolarHBondContact CB-OG1 3.25Å; K36-T40 PolarHBondContact O-N 3.47Å; K36-T40 VanDerWaalsContact O-N 3.07Å; K36-T40 PolarHBondContact O-OG1 3.39Å; E37-T40 PolarHBondContact O-N 3.48Å; T40-N42 VanDerWaalsContact C-N 3.34Å; T40-N42 PolarHBondContact O-N 3.11Å; T40-Q43 PolarHBondContact O-N 3.37Å; T40-Q43 VanDerWaalsContact O-N 3.08Å; T40-Q43 PolarHBondContact O-NE2 3.19Å
41E95.6Very high94.1Very high146 Ų14657.6 Ų57.668%0.68230%0.302SS*.Hα-helixtrans-63.5-40.4179.2-71.4-174.9161.500111.8E37 Q43E37-E41 WeakPolarHBondContact O-CB 3.06Å; E37-E41 WeakPolarHBondContact O-CG 3.47Å; E37-E41 PolarHBondContact O-N 2.9Å; E41-Q43 PolarHBondContact O-N 3.27Å
42N94.9Very high93.8Very high75 Ų7555.7 Ų55.740%0.40128%0.279SS..THydrogen-bonded Turntrans-795.5176.2-71.6-75.9000113.7C38 T40 I44 L60C38-N42 WeakPolarHBondContact O-CB 3.48Å; C38-N42 PolarHBondContact O-N 3.06Å; C38-N42 PolarHBondContact O-ND2 3Å; T40-N42 VanDerWaalsContact C-N 3.34Å; T40-N42 PolarHBondContact O-N 3.11Å; N42-I44 VanDerWaalsContact C-N 3.3Å; N42-I44 HydrophobicContact CB-CD1 4.04Å; N42-I44 HydrophobicContact CB-CG1 3.99Å; N42-I44 WeakPolarHBondContact O-CD1 3.15Å; N42-I44 PolarHBondContact O-N 2.94Å; N42-L60 HydrophobicContact CB-CD2 3.44Å; N42-L60 VanDerWaalsContact CB-CD2 3.44Å; N42-L60 PolarHBondContact ND2-O 3.43Å
43Q95.2Very high93.4Very high126 Ų12657.5 Ų57.559%0.58929%0.288SS*.THydrogen-bonded Turntrans5542.3176.7-59.5-64.8-3800113.2F39 T40 E41 D45F39-Q43 PolarHBondContact O-N 2.96Å; T40-Q43 PolarHBondContact O-N 3.37Å; T40-Q43 VanDerWaalsContact O-N 3.08Å; T40-Q43 PolarHBondContact O-NE2 3.19Å; E41-Q43 PolarHBondContact O-N 3.27Å; Q43-D45 PolarHBondContact O-N 3.41Å; Q43-D45 VanDerWaalsContact O-N 3.15Å
44I95.9Very high93.1Very high15 Ų1557.6 Ų57.68%0.07729%0.289CS..  trans-78.9102.8-178.6-53.4-55.5000109.7V23 F39 N42 L49 I52 L60V23-I44 WeakPolarHBondContact CB-O 3.44Å; V23-I44 HydrophobicContact CG1-CG2 4.29Å; F39-I44 HydrophobicContact CB-CB 4.41Å; F39-I44 HydrophobicContact CD1-CB 3.8Å; F39-I44 HydrophobicContact CD1-CG1 4.1Å; F39-I44 HydrophobicContact CD1-CG2 3.72Å; F39-I44 HydrophobicContact CE1-CG2 4.08Å; F39-I44 HydrophobicContact CG-CB 4.46Å; F39-I44 PolarHBondContact O-N 3.34Å; N42-I44 VanDerWaalsContact C-N 3.3Å; N42-I44 HydrophobicContact CB-CD1 4.04Å; N42-I44 HydrophobicContact CB-CG1 3.99Å; N42-I44 WeakPolarHBondContact O-CD1 3.15Å; N42-I44 PolarHBondContact O-N 2.94Å; I44-L49 HydrophobicContact CG2-CD2 3.98Å; I44-I52 HydrophobicContact CD1-CD1 4.38Å; I44-I52 HydrophobicContact CG2-CD1 4.41Å; I44-I52 HydrophobicContact CG2-CG1 4.35Å; I44-L60 HydrophobicContact CD1-CD2 3.74Å; I44-L60 HydrophobicContact CG1-CD2 3.96Å
45D94.8Very high92.9Very high56 Ų5656.3 Ų56.330%0.29929%0.291SS..  trans-89.7173.2171.374.7-13.5000112V20 Q43 R47 S48 L49V20-D45 HydrophobicContact CG2-CB 4.12Å; Q43-D45 PolarHBondContact O-N 3.41Å; Q43-D45 VanDerWaalsContact O-N 3.15Å; D45-R47 PolarHBondContact O-N 2.82Å; D45-R47 VanDerWaalsContact O-N 3.16Å; D45-R47 PolarHBondContact OD1-N 2.81Å; D45-S48 WeakPolarHBondContact O-CB 3.44Å; D45-S48 PolarHBondContact O-N 3.18Å; D45-S48 WeakPolarHBondContact OD1-CB 3.42Å; D45-S48 PolarHBondContact OD1-N 2.84Å; D45-S48 PolarHBondContact OD1-OG 3.4Å; D45-L49 PolarHBondContact O-N 3.36Å
46G93.3Very high92.7Very high0 Ų057.3 Ų57.30%030%0.3CS..THydrogen-bonded Turntrans-58.9-28.7-179.200000113.9A15 W18 L49A15-G46 WeakPolarHBondContact O-CA 3.5Å; W18-G46 PolarHBondContact O-N 3.41Å; G46-L49 WeakPolarHBondContact O-CB 3.25Å
47R90.6Very high92.6Very high89 Ų8953.8 Ų53.834%0.33628%0.284SS..THydrogen-bonded Turntrans-77.1-35.4175.5-170.2171.1-179.3163.8-2.4112D45 L49 I50 K105D45-R47 PolarHBondContact O-N 2.82Å; D45-R47 VanDerWaalsContact O-N 3.16Å; D45-R47 PolarHBondContact OD1-N 2.81Å; R47-L49 PolarHBondContact O-N 2.66Å; R47-I50 HydrophobicContact CG-CD1 4.29Å; R47-I50 WeakPolarHBondContact O-CB 3.28Å; R47-I50 VanDerWaalsContact O-CG1 3.31Å; R47-I50 WeakPolarHBondContact O-CG1 3.35Å; R47-I50 PolarHBondContact O-N 3.2Å; R47-K105 PolarHBondContact NH2-O 3.37Å; R47-K105 VanDerWaalsContact NH2-O 3.11Å
48S92.4Very high92.5Very high39 Ų3949.8 Ų49.827%0.27327%0.271SS..G310 helixtrans-64.2-29.1176.1-630000112D45 I50 N51 I52D45-S48 WeakPolarHBondContact O-CB 3.44Å; D45-S48 PolarHBondContact O-N 3.18Å; D45-S48 WeakPolarHBondContact OD1-CB 3.42Å; D45-S48 PolarHBondContact OD1-N 2.84Å; D45-S48 PolarHBondContact OD1-OG 3.4Å; S48-I50 PolarHBondContact O-N 3.22Å; S48-N51 PolarHBondContact O-N 2.92Å; S48-I52 PolarHBondContact O-N 3.4Å
49L93.4Very high92.4Very high0 Ų058.1 Ų58.10%030%0.3CS..G310 helixtrans-53.2-28173.2-66.9-178.9000113.6W18 V23 W26 F39 I44 D45 G46 R47 N51 I52 V75 L79W18-L49 HydrophobicContact CE3-CD1 4.3Å; W18-L49 HydrophobicContact CZ3-CD1 4.49Å; V23-L49 HydrophobicContact CG1-CD2 4.1Å; V23-L49 HydrophobicContact CG2-CD1 4.21Å; V23-L49 HydrophobicContact CG2-CG 4.49Å; W26-L49 HydrophobicContact CZ3-CD2 4.45Å; F39-L49 HydrophobicContact CE1-CD2 4.28Å; I44-L49 HydrophobicContact CG2-CD2 3.98Å; D45-L49 PolarHBondContact O-N 3.36Å; G46-L49 WeakPolarHBondContact O-CB 3.25Å; R47-L49 PolarHBondContact O-N 2.66Å; L49-N51 PolarHBondContact O-N 3.02Å; L49-I52 HydrophobicContact CD2-CG1 4.18Å; L49-I52 PolarHBondContact O-N 2.82Å; L49-I52 VanDerWaalsContact O-N 3.11Å; L49-V75 HydrophobicContact CB-CG1 4.41Å; L49-V75 HydrophobicContact CD2-CG2 4.34Å; L49-L79 HydrophobicContact CB-CD1 4.21Å; L49-L79 HydrophobicContact CB-CD2 4.5Å
50I90Very high92.3Very high16 Ų1659.1 Ų59.18%0.08231%0.305CS..G310 helixtrans-58.4-35.9175.6-60.7172.4000111.4L16 R47 S48 H53 L102L16-I50 HydrophobicContact CD2-CD1 3.67Å; L16-I50 HydrophobicContact CD2-CG1 3.67Å; R47-I50 HydrophobicContact CG-CD1 4.29Å; R47-I50 WeakPolarHBondContact O-CB 3.28Å; R47-I50 VanDerWaalsContact O-CG1 3.31Å; R47-I50 WeakPolarHBondContact O-CG1 3.35Å; R47-I50 PolarHBondContact O-N 3.2Å; S48-I50 PolarHBondContact O-N 3.22Å; I50-H53 PolarHBondContact O-CE1 3.28Å; I50-L102 HydrophobicContact CD1-CB 4.14Å; I50-L102 HydrophobicContact CD1-CD2 4.05Å; I50-L102 HydrophobicContact CG1-CB 4.25Å; I50-L102 HydrophobicContact CG2-CB 3.93Å
51N87Confident92.1Very high82 Ų8258.7 Ų58.744%0.43931%0.309SS..G310 helixtrans-92-2.2-178-64.1-30.6000112.7S48 L49 H53 S106S48-N51 PolarHBondContact O-N 2.92Å; L49-N51 PolarHBondContact O-N 3.02Å; N51-H53 PolarHBondContact O-N 3.34Å; N51-S106 WeakPolarHBondContact OD1-CB 3.3Å
52I90.5Very high92.1Very high13 Ų1351.7 Ų51.77%0.06728%0.277CS..  trans-79.3116.3177.3-60.2-60.6000109.1I44 S48 L49 T56 L57 L60 V75I44-I52 HydrophobicContact CD1-CD1 4.38Å; I44-I52 HydrophobicContact CG2-CD1 4.41Å; I44-I52 HydrophobicContact CG2-CG1 4.35Å; S48-I52 PolarHBondContact O-N 3.4Å; L49-I52 HydrophobicContact CD2-CG1 4.18Å; L49-I52 PolarHBondContact O-N 2.82Å; L49-I52 VanDerWaalsContact O-N 3.11Å; I52-T56 WeakPolarHBondContact CA-OG1 3.18Å; I52-L57 HydrophobicContact CG2-CD2 3.74Å; I52-L57 HydrophobicContact CG2-CG 3.99Å; I52-L60 HydrophobicContact CD1-CD1 3.38Å; I52-V75 HydrophobicContact CG2-CG2 4.32Å
53H86.6Confident92Very high70 Ų7052.9 Ų52.932%0.32429%0.287SS..  trans-128167177-60.4-25.8000109.7I50 N51 S55 T56 L57I50-H53 PolarHBondContact O-CE1 3.28Å; N51-H53 PolarHBondContact O-N 3.34Å; H53-S55 PolarHBondContact O-N 2.95Å; H53-S55 VanDerWaalsContact O-N 3.08Å; H53-T56 HydrophobicContact CB-CG2 4.41Å; H53-T56 PolarHBondContact N-OG1 2.86Å; H53-T56 PolarHBondContact O-N 3.11Å; H53-T56 PolarHBondContact O-OG1 3.03Å; H53-L57 PolarHBondContact O-N 3.48Å
54S88.9Confident92Very high68 Ų6852.5 Ų52.548%0.47629%0.285SS..THydrogen-bonded Turntrans-56.3-28.2175.852.60000113P58 I68 T72S54-P58 WeakPolarHBondContact O-CD 3.34Å; S54-I68 WeakPolarHBondContact O-CG2 2.97Å; S54-T72 WeakPolarHBondContact CA-OG1 3.31Å
55S89.7Confident91.9Very high77 Ų7759 Ų5954%0.53831%0.313SS..THydrogen-bonded Turntrans-79.6-22.3175.956.30000114.4H53 Y59H53-S55 PolarHBondContact O-N 2.95Å; H53-S55 VanDerWaalsContact O-N 3.08Å; S55-Y59 VanDerWaalsContact O-CD2 3.29Å; S55-Y59 WeakPolarHBondContact O-CD2 3.44Å; S55-Y59 WeakPolarHBondContact O-CE2 3.14Å
56T91Very high91.9Very high42 Ų4261.4 Ų61.426%0.25832%0.322SS..THydrogen-bonded Turntrans-90.6-27.7-17863.90000112.2I52 H53 Y59 L60I52-T56 WeakPolarHBondContact CA-OG1 3.18Å; H53-T56 HydrophobicContact CB-CG2 4.41Å; H53-T56 PolarHBondContact N-OG1 2.86Å; H53-T56 PolarHBondContact O-N 3.11Å; H53-T56 PolarHBondContact O-OG1 3.03Å; T56-Y59 WeakPolarHBondContact O-CB 3.47Å; T56-Y59 PolarHBondContact O-N 3.28Å; T56-Y59 VanDerWaalsContact O-N 3.08Å; T56-L60 PolarHBondContact O-N 2.95Å
57L93.8Very high92Very high0 Ų062.9 Ų62.90%033%0.33CS..Hα-helixtrans-55.1-40-179.3-77.4173.8000114.6F39 I52 H53 Y59 L60 G61 V62 I68 I71 T72F39-L57 HydrophobicContact CE2-CD2 4.42Å; F39-L57 HydrophobicContact CZ-CD2 3.93Å; I52-L57 HydrophobicContact CG2-CD2 3.74Å; I52-L57 HydrophobicContact CG2-CG 3.99Å; H53-L57 PolarHBondContact O-N 3.48Å; L57-Y59 VanDerWaalsContact C-N 3.28Å; L57-Y59 PolarHBondContact O-N 3.09Å; L57-L60 HydrophobicContact CD2-CD1 4.25Å; L57-L60 WeakPolarHBondContact O-CB 3.31Å; L57-L60 PolarHBondContact O-N 3.24Å; L57-G61 PolarHBondContact O-N 2.99Å; L57-V62 CarbonylContact C-O 3.47Å; L57-V62 HydrophobicContact CB-CB 4.11Å; L57-V62 HydrophobicContact CD2-CB 4.45Å; L57-V62 HydrophobicContact CD2-CG2 4.11Å; L57-V62 PolarHBondContact O-N 2.76Å; L57-I68 HydrophobicContact CB-CG1 4.16Å; L57-I68 HydrophobicContact CB-CG2 4.4Å; L57-I68 HydrophobicContact CD1-CB 4.39Å; L57-I68 HydrophobicContact CD1-CG2 4.04Å; L57-I71 HydrophobicContact CD1-CB 4.2Å; L57-I71 HydrophobicContact CD1-CG2 4Å; L57-I71 HydrophobicContact CD2-CG2 4.04Å; L57-T72 WeakPolarHBondContact CD1-OG1 3.32Å
58P94.2Very high92.2Very high58 Ų5859.6 Ų59.638%0.37732%0.319SS..Hα-helixtrans-58.4-37.1174-2836.1000114S54 L60 G61 V62 I68S54-P58 WeakPolarHBondContact O-CD 3.34Å; P58-L60 PolarHBondContact O-N 3.4Å; P58-G61 PolarHBondContact O-N 3.41Å; P58-V62 VanDerWaalsContact CA-O 3.27Å; P58-V62 WeakPolarHBondContact CA-O 3.48Å; P58-I68 HydrophobicContact CG-CD1 3.87Å
59Y92.3Very high92.3Very high204 Ų20463.2 Ų63.280%0.833%0.33SS*.Hα-helixtrans-72.9-18.7179-59-81.2000112.8S55 T56 L57S55-Y59 VanDerWaalsContact O-CD2 3.29Å; S55-Y59 WeakPolarHBondContact O-CD2 3.44Å; S55-Y59 WeakPolarHBondContact O-CE2 3.14Å; T56-Y59 WeakPolarHBondContact O-CB 3.47Å; T56-Y59 PolarHBondContact O-N 3.28Å; T56-Y59 VanDerWaalsContact O-N 3.08Å; L57-Y59 VanDerWaalsContact C-N 3.28Å; L57-Y59 PolarHBondContact O-N 3.09Å
60L92.5Very high92.4Very high20 Ų2065 Ų6511%0.10534%0.343CS..Hα-helixtrans-84.8-14.6174.5-68.9160.3000112.6C38 N42 I44 I52 T56 L57 P58C38-L60 WeakPolarHBondContact CB-O 3.37Å; N42-L60 HydrophobicContact CB-CD2 3.44Å; N42-L60 VanDerWaalsContact CB-CD2 3.44Å; N42-L60 PolarHBondContact ND2-O 3.43Å; I44-L60 HydrophobicContact CD1-CD2 3.74Å; I44-L60 HydrophobicContact CG1-CD2 3.96Å; I52-L60 HydrophobicContact CD1-CD1 3.38Å; T56-L60 PolarHBondContact O-N 2.95Å; L57-L60 HydrophobicContact CD2-CD1 4.25Å; L57-L60 WeakPolarHBondContact O-CB 3.31Å; L57-L60 PolarHBondContact O-N 3.24Å; P58-L60 PolarHBondContact O-N 3.4Å
61G92.4Very high92.6Very high36 Ų3664.3 Ų64.337%0.37134%0.339SS..THydrogen-bonded Turntrans110.30.7-176.200000114.6L57 P58 T63L57-G61 PolarHBondContact O-N 2.99Å; P58-G61 PolarHBondContact O-N 3.41Å; G61-T63 PolarHBondContact O-N 3.39Å
62V94Very high92.9Very high0 Ų061.3 Ų61.30%032%0.324CS..  trans-88.797.7174.6-173.70000108.9Y35 F39 L57 P58 D67 I68 I71Y35-V62 HydrophobicContact CD1-CB 4.37Å; Y35-V62 HydrophobicContact CD1-CG2 3.77Å; Y35-V62 HydrophobicContact CD2-CG1 4.29Å; Y35-V62 HydrophobicContact CD2-CG2 4.18Å; Y35-V62 HydrophobicContact CE1-CB 4.22Å; Y35-V62 HydrophobicContact CE1-CG1 4.15Å; Y35-V62 HydrophobicContact CE1-CG2 4.13Å; Y35-V62 HydrophobicContact CE2-CG1 3.91Å; Y35-V62 HydrophobicContact CG-CG2 3.8Å; F39-V62 HydrophobicContact CE2-CG2 4.21Å; L57-V62 CarbonylContact C-O 3.47Å; L57-V62 HydrophobicContact CB-CB 4.11Å; L57-V62 HydrophobicContact CD2-CB 4.45Å; L57-V62 HydrophobicContact CD2-CG2 4.11Å; L57-V62 PolarHBondContact O-N 2.76Å; P58-V62 VanDerWaalsContact CA-O 3.27Å; P58-V62 WeakPolarHBondContact CA-O 3.48Å; V62-D67 HydrophobicContact CG1-CB 4.09Å; V62-I68 HydrophobicContact CB-CG1 4.45Å; V62-I68 HydrophobicContact CG1-CG1 3.81Å; V62-I68 WeakPolarHBondContact O-CD1 3.32Å; V62-I68 WeakPolarHBondContact O-CG1 3.11Å; V62-I71 HydrophobicContact CG1-CD1 3.91Å; V62-I71 HydrophobicContact CG2-CD1 4.36Å
63T92.7Very high92.9Very high100 Ų10063.7 Ų63.761%0.61334%0.341SS*.  trans-98.8-24.8-174.555.10000114.1G61 F65G61-T63 PolarHBondContact O-N 3.39Å; T63-F65 PolarHBondContact O-N 3.22Å
64E95.7Very high93.3Very high117 Ų11764 Ų6455%0.54734%0.341SS..  trans-72.1127.1-176.8-71.7-54.5121.900111.7E66 D67 I68E64-E66 PolarHBondContact O-N 3.16Å; E64-D67 HydrophobicContact CB-CB 3.99Å; E64-D67 WeakPolarHBondContact O-CB 3.31Å; E64-D67 PolarHBondContact O-N 2.9Å; E64-I68 VanDerWaalsContact O-CG1 3.28Å; E64-I68 WeakPolarHBondContact O-CG1 3.19Å; E64-I68 PolarHBondContact O-N 3.21Å
65F93.8Very high93.6Very high152 Ų15260.9 Ų60.967%0.66732%0.319SS*.Hα-helixtrans-61.6-43.5-171.9176.7-98.3000113.1T63 D67 I68 K69T63-F65 PolarHBondContact O-N 3.22Å; F65-D67 VanDerWaalsContact C-N 3.31Å; F65-D67 PolarHBondContact O-N 3.35Å; F65-I68 PolarHBondContact O-N 2.89Å; F65-K69 WeakPolarHBondContact O-CB 3.41Å; F65-K69 PolarHBondContact O-N 2.9Å
66E95.3Very high93.6Very high106 Ų10659.1 Ų59.150%0.49530%0.301SS..Hα-helixtrans-70.1-33.4-179-157.362.1-149.800111.2E64 K69 S70E64-E66 PolarHBondContact O-N 3.16Å; E66-K69 PolarHBondContact O-N 3.38Å; E66-K69 IonicContact OE1-NZ 2.69Å; E66-K69 PolarHBondContact OE1-NZ 2.94Å; E66-K69 IonicContact OE2-NZ 3.96Å; E66-S70 VanDerWaalsContact O-CB 3.31Å; E66-S70 WeakPolarHBondContact O-CB 3.29Å; E66-S70 PolarHBondContact O-N 3.18Å
67D95.4Very high93.6Very high31 Ų3162.7 Ų62.717%0.16632%0.315CS..Hα-helixtrans-66.7-45.8174.1-64.7-6.7000110.7Y32 Y35 V62 E64 F65 K69 S70 I71Y32-D67 HydrophobicContact CD1-CB 4.47Å; Y32-D67 HydrophobicContact CE1-CB 3.96Å; Y32-D67 WeakPolarHBondContact CE1-OD1 3.38Å; Y35-D67 HydrophobicContact CE2-CB 3.81Å; Y35-D67 WeakPolarHBondContact CE2-OD2 3.43Å; Y35-D67 VanDerWaalsContact CZ-OD2 3.31Å; Y35-D67 PolarHBondContact OH-OD2 3.02Å; V62-D67 HydrophobicContact CG1-CB 4.09Å; E64-D67 HydrophobicContact CB-CB 3.99Å; E64-D67 WeakPolarHBondContact O-CB 3.31Å; E64-D67 PolarHBondContact O-N 2.9Å; F65-D67 VanDerWaalsContact C-N 3.31Å; F65-D67 PolarHBondContact O-N 3.35Å; D67-K69 VanDerWaalsContact C-N 3.28Å; D67-K69 PolarHBondContact O-N 3.03Å; D67-S70 PolarHBondContact O-N 3.44Å; D67-I71 HydrophobicContact CB-CD1 4.44Å; D67-I71 VanDerWaalsContact O-CB 3.28Å; D67-I71 WeakPolarHBondContact O-CB 3.45Å; D67-I71 VanDerWaalsContact O-CG1 3.25Å; D67-I71 WeakPolarHBondContact O-CG1 3.37Å; D67-I71 PolarHBondContact O-N 3.46Å
68I95.3Very high93.5Very high20 Ų2064.2 Ų64.210%0.10332%0.324CS..Hα-helixtrans-55-47.6175-69.8167.4000110.1S54 L57 P58 V62 E64 F65 T72S54-I68 WeakPolarHBondContact O-CG2 2.97Å; L57-I68 HydrophobicContact CB-CG1 4.16Å; L57-I68 HydrophobicContact CB-CG2 4.4Å; L57-I68 HydrophobicContact CD1-CB 4.39Å; L57-I68 HydrophobicContact CD1-CG2 4.04Å; P58-I68 HydrophobicContact CG-CD1 3.87Å; V62-I68 HydrophobicContact CB-CG1 4.45Å; V62-I68 HydrophobicContact CG1-CG1 3.81Å; V62-I68 WeakPolarHBondContact O-CD1 3.32Å; V62-I68 WeakPolarHBondContact O-CG1 3.11Å; E64-I68 VanDerWaalsContact O-CG1 3.28Å; E64-I68 WeakPolarHBondContact O-CG1 3.19Å; E64-I68 PolarHBondContact O-N 3.21Å; F65-I68 PolarHBondContact O-N 2.89Å; I68-T72 WeakPolarHBondContact O-CB 3.47Å; I68-T72 PolarHBondContact O-N 2.97Å; I68-T72 PolarHBondContact O-OG1 3.42Å
69K93.5Very high93.4Very high116 Ų11661.6 Ų61.650%0.50431%0.307SS..Hα-helixtrans-63.4-47.8-179.2-178.6-176.1163.8-152.60111.5F65 E66 D67 C73F65-K69 WeakPolarHBondContact O-CB 3.41Å; F65-K69 PolarHBondContact O-N 2.9Å; E66-K69 PolarHBondContact O-N 3.38Å; E66-K69 IonicContact OE1-NZ 2.69Å; E66-K69 PolarHBondContact OE1-NZ 2.94Å; E66-K69 IonicContact OE2-NZ 3.96Å; D67-K69 VanDerWaalsContact C-N 3.28Å; D67-K69 PolarHBondContact O-N 3.03Å; K69-C73 PolarHBondContact O-N 3.08Å
70S94.9Very high93.2Very high38 Ų3856.2 Ų56.227%0.26629%0.292SS..Hα-helixtrans-66.5-49-179-177.30000112.2Y32 E66 D67 T72 C73 K74Y32-S70 WeakPolarHBondContact OH-CB 3.44Å; Y32-S70 PolarHBondContact OH-OG 3.46Å; E66-S70 VanDerWaalsContact O-CB 3.31Å; E66-S70 WeakPolarHBondContact O-CB 3.29Å; E66-S70 PolarHBondContact O-N 3.18Å; D67-S70 PolarHBondContact O-N 3.44Å; S70-T72 VanDerWaalsContact C-N 3.32Å; S70-T72 PolarHBondContact O-N 3.11Å; S70-C73 WeakPolarHBondContact O-CB 3.47Å; S70-C73 PolarHBondContact O-N 3.12Å; S70-C73 VanDerWaalsContact O-N 3.11Å; S70-K74 WeakPolarHBondContact O-CG 3.48Å; S70-K74 PolarHBondContact O-N 3.31Å
71I95.2Very high92.8Very high0 Ų056.6 Ų56.60%029%0.294CS..Hα-helixtrans-60.6-44176.8-67.3168.1000110I27 Y32 Y35 F39 L57 V62 D67 C73 K74 V75I27-I71 HydrophobicContact CD1-CG2 4.47Å; Y32-I71 HydrophobicContact CD1-CD1 4.17Å; Y32-I71 HydrophobicContact CD1-CG1 4.39Å; Y32-I71 HydrophobicContact CD2-CD1 4.12Å; Y32-I71 HydrophobicContact CD2-CG1 3.57Å; Y32-I71 HydrophobicContact CE2-CG1 3.76Å; Y32-I71 HydrophobicContact CG-CD1 3.95Å; Y32-I71 HydrophobicContact CG-CG1 3.94Å; Y35-I71 HydrophobicContact CD2-CD1 3.75Å; Y35-I71 HydrophobicContact CE2-CD1 4.1Å; F39-I71 HydrophobicContact CZ-CG2 4.35Å; L57-I71 HydrophobicContact CD1-CB 4.2Å; L57-I71 HydrophobicContact CD1-CG2 4Å; L57-I71 HydrophobicContact CD2-CG2 4.04Å; V62-I71 HydrophobicContact CG1-CD1 3.91Å; V62-I71 HydrophobicContact CG2-CD1 4.36Å; D67-I71 HydrophobicContact CB-CD1 4.44Å; D67-I71 VanDerWaalsContact O-CB 3.28Å; D67-I71 WeakPolarHBondContact O-CB 3.45Å; D67-I71 VanDerWaalsContact O-CG1 3.25Å; D67-I71 WeakPolarHBondContact O-CG1 3.37Å; D67-I71 PolarHBondContact O-N 3.46Å; I71-C73 VanDerWaalsContact C-N 3.3Å; I71-C73 PolarHBondContact O-N 2.95Å; I71-K74 PolarHBondContact O-N 3.36Å; I71-V75 HydrophobicContact CG2-CG2 4.21Å; I71-V75 VanDerWaalsContact O-CG2 3.31Å; I71-V75 WeakPolarHBondContact O-CG2 3.39Å; I71-V75 PolarHBondContact O-N 2.9Å
72T92.7Very high92.1Very high20 Ų2059.4 Ų59.412%0.12330%0.297CS..Hα-helixtrans-59.7-41.6176.4-59.90000111.5S54 L57 I68 S70 R76S54-T72 WeakPolarHBondContact CA-OG1 3.31Å; L57-T72 WeakPolarHBondContact CD1-OG1 3.32Å; I68-T72 WeakPolarHBondContact O-CB 3.47Å; I68-T72 PolarHBondContact O-N 2.97Å; I68-T72 PolarHBondContact O-OG1 3.42Å; S70-T72 VanDerWaalsContact C-N 3.32Å; S70-T72 PolarHBondContact O-N 3.11Å; T72-R76 VanDerWaalsContact O-CG 3.29Å; T72-R76 WeakPolarHBondContact O-CG 3.01Å; T72-R76 PolarHBondContact O-N 3.46Å
73C92.1Very high91.1Very high63 Ų6365.8 Ų65.843%0.42633%0.327SS..Hα-helixtrans-62.1-47.2175.6-170.50000111.3K69 S70 I71 V75 R76 E77K69-C73 PolarHBondContact O-N 3.08Å; S70-C73 WeakPolarHBondContact O-CB 3.47Å; S70-C73 PolarHBondContact O-N 3.12Å; S70-C73 VanDerWaalsContact O-N 3.11Å; I71-C73 VanDerWaalsContact C-N 3.3Å; I71-C73 PolarHBondContact O-N 2.95Å; C73-V75 PolarHBondContact O-N 3.02Å; C73-R76 WeakPolarHBondContact O-CB 3.37Å; C73-R76 PolarHBondContact O-N 3.11Å; C73-R76 VanDerWaalsContact O-N 3.12Å; C73-E77 PolarHBondContact O-N 2.78Å
74K94.6Very high90Very high75 Ų7566.4 Ų66.433%0.32633%0.327SS..Hα-helixtrans-63.9-39.2179.2-71.3-70.8166.1-161.70113.3W26 I30 S70 I71 R76 E77 V78W26-K74 HydrophobicContact CH2-CB 4.23Å; W26-K74 HydrophobicContact CZ2-CB 3.9Å; I30-K74 HydrophobicContact CD1-CB 4.19Å; I30-K74 HydrophobicContact CD1-CG 4.45Å; I30-K74 HydrophobicContact CG2-CD 4.33Å; S70-K74 WeakPolarHBondContact O-CG 3.48Å; S70-K74 PolarHBondContact O-N 3.31Å; I71-K74 PolarHBondContact O-N 3.36Å; K74-R76 VanDerWaalsContact C-N 3.3Å; K74-R76 PolarHBondContact O-N 3.36Å; K74-E77 WeakPolarHBondContact CD-OE2 3.42Å; K74-E77 IonicContact NZ-OE2 3.99Å; K74-E77 PolarHBondContact NZ-OE2 2.73Å; K74-E77 PolarHBondContact O-N 2.76Å; K74-V78 WeakPolarHBondContact O-CB 3.19Å; K74-V78 WeakPolarHBondContact O-CG2 3.45Å; K74-V78 PolarHBondContact O-N 3.41Å
75V93.8Very high88.6Confident4 Ų465.7 Ų65.72%0.02432%0.323CS..Hα-helixtrans-59.8-42.6172.9169.60000110.6W26 L49 I52 I71 C73 V78 L79W26-V75 HydrophobicContact CH2-CB 4.44Å; W26-V75 HydrophobicContact CH2-CG2 3.67Å; W26-V75 HydrophobicContact CZ3-CG2 4.08Å; L49-V75 HydrophobicContact CB-CG1 4.41Å; L49-V75 HydrophobicContact CD2-CG2 4.34Å; I52-V75 HydrophobicContact CG2-CG2 4.32Å; I71-V75 HydrophobicContact CG2-CG2 4.21Å; I71-V75 VanDerWaalsContact O-CG2 3.31Å; I71-V75 WeakPolarHBondContact O-CG2 3.39Å; I71-V75 PolarHBondContact O-N 2.9Å; C73-V75 PolarHBondContact O-N 3.02Å; V75-V78 PolarHBondContact O-N 3.36Å; V75-L79 HydrophobicContact CG1-CD1 3.86Å; V75-L79 HydrophobicContact CG1-CG 4.46Å; V75-L79 WeakPolarHBondContact O-CB 3.38Å; V75-L79 VanDerWaalsContact O-CG 3.3Å; V75-L79 WeakPolarHBondContact O-CG 3.42Å; V75-L79 PolarHBondContact O-N 3.07Å
76R89.9Confident87.3Confident40 Ų4064.6 Ų64.615%0.15133%0.334CS..Hα-helixtrans-67.2-41.8179-67.8177.189114.70.1112.2T72 C73 K74 L79 N80 L81 E82 N84T72-R76 VanDerWaalsContact O-CG 3.29Å; T72-R76 WeakPolarHBondContact O-CG 3.01Å; T72-R76 PolarHBondContact O-N 3.46Å; C73-R76 WeakPolarHBondContact O-CB 3.37Å; C73-R76 PolarHBondContact O-N 3.11Å; C73-R76 VanDerWaalsContact O-N 3.12Å; K74-R76 VanDerWaalsContact C-N 3.3Å; K74-R76 PolarHBondContact O-N 3.36Å; R76-L79 CarbonylContact O-C 3.49Å; R76-L79 PolarHBondContact O-N 3.17Å; R76-N80 PolarHBondContact O-N 3.12Å; R76-N80 VanDerWaalsContact O-N 3.14Å; R76-L81 HydrophobicContact CB-CB 4.11Å; R76-L81 HydrophobicContact CG-CB 4.41Å; R76-L81 HydrophobicContact CG-CD1 4.5Å; R76-L81 PolarHBondContact O-N 3.23Å; R76-E82 PolarHBondContact NE-O 3.16Å; R76-E82 PolarHBondContact NH2-O 2.76Å; R76-N84 PolarHBondContact NH1-ND2 2.98Å; R76-N84 PolarHBondContact NH2-OD1 2.93Å
77E91Very high86.4Confident116 Ų11663.6 Ų63.654%0.54234%0.339SS..Hα-helixtrans-57.5-51.4174.5-173.5-177.7176.500110.6C73 K74 L79 N80C73-E77 PolarHBondContact O-N 2.78Å; K74-E77 WeakPolarHBondContact CD-OE2 3.42Å; K74-E77 IonicContact NZ-OE2 3.99Å; K74-E77 PolarHBondContact NZ-OE2 2.73Å; K74-E77 PolarHBondContact O-N 2.76Å; E77-L79 VanDerWaalsContact C-N 3.27Å; E77-L79 PolarHBondContact O-N 3.01Å; E77-N80 PolarHBondContact O-N 3.17Å
78V93Very high85.6Confident33 Ų3365.3 Ų65.320%0.234%0.343CS..Hα-helixtrans-61.8-34179162.90000112.7P13 A15 W18 W26 K74 V75 N80P13-V78 WeakPolarHBondContact CB-O 3.44Å; A15-V78 HydrophobicContact CB-CG1 3.16Å; W18-V78 HydrophobicContact CH2-CG1 3.67Å; W18-V78 HydrophobicContact CH2-CG2 4.3Å; W18-V78 HydrophobicContact CZ3-CG1 3.68Å; W26-V78 HydrophobicContact CZ2-CB 4.19Å; W26-V78 HydrophobicContact CZ2-CG2 3.52Å; K74-V78 WeakPolarHBondContact O-CB 3.19Å; K74-V78 WeakPolarHBondContact O-CG2 3.45Å; K74-V78 PolarHBondContact O-N 3.41Å; V75-V78 PolarHBondContact O-N 3.36Å; V78-N80 VanDerWaalsContact C-N 3.3Å
79L91Very high85Confident2 Ų273 Ų731%0.0137%0.371CS..THydrogen-bonded Turntrans-86.99.8176.8-66.3178.5000113.9P13 L16 L49 V75 R76 E77 L81 L102P13-L79 HydrophobicContact CB-CD2 4.35Å; P13-L79 HydrophobicContact CG-CB 4.38Å; P13-L79 HydrophobicContact CG-CD2 4.48Å; P13-L79 WeakPolarHBondContact CG-O 3.29Å; L16-L79 HydrophobicContact CD2-CD2 3.68Å; L16-L79 HydrophobicContact CG-CD2 4.32Å; L49-L79 HydrophobicContact CB-CD1 4.21Å; L49-L79 HydrophobicContact CB-CD2 4.5Å; V75-L79 HydrophobicContact CG1-CD1 3.86Å; V75-L79 HydrophobicContact CG1-CG 4.46Å; V75-L79 WeakPolarHBondContact O-CB 3.38Å; V75-L79 VanDerWaalsContact O-CG 3.3Å; V75-L79 WeakPolarHBondContact O-CG 3.42Å; V75-L79 PolarHBondContact O-N 3.07Å; R76-L79 CarbonylContact O-C 3.49Å; R76-L79 PolarHBondContact O-N 3.17Å; E77-L79 VanDerWaalsContact C-N 3.27Å; E77-L79 PolarHBondContact O-N 3.01Å; L79-L81 HydrophobicContact CB-CD1 3.91Å; L79-L81 HydrophobicContact CB-CG 3.79Å; L79-L81 HydrophobicContact CD1-CD1 4.11Å; L79-L81 PolarHBondContact O-N 2.67Å; L79-L81 VanDerWaalsContact O-N 3.07Å; L79-L102 HydrophobicContact CB-CD1 4.31Å
80N87.7Confident84.2Confident92 Ų9275.2 Ų75.249%0.49239%0.387SS..THydrogen-bonded Turntrans4834.9-175.5-62.7-31.2000112.7P13 R76 E77 V78P13-N80 HydrophobicContact CG-CB 4.2Å; R76-N80 PolarHBondContact O-N 3.12Å; R76-N80 VanDerWaalsContact O-N 3.14Å; E77-N80 PolarHBondContact O-N 3.17Å; V78-N80 VanDerWaalsContact C-N 3.3Å
81L84.9Confident83.3Confident28 Ų2879 Ų7915%0.14740%0.401CS..PPolyproline II helixtrans-88.9132.7176.8-66177.7000108.6R76 L79 L102R76-L81 HydrophobicContact CB-CB 4.11Å; R76-L81 HydrophobicContact CG-CB 4.41Å; R76-L81 HydrophobicContact CG-CD1 4.5Å; R76-L81 PolarHBondContact O-N 3.23Å; L79-L81 HydrophobicContact CB-CD1 3.91Å; L79-L81 HydrophobicContact CB-CG 3.79Å; L79-L81 HydrophobicContact CD1-CD1 4.11Å; L79-L81 PolarHBondContact O-N 2.67Å; L79-L81 VanDerWaalsContact O-N 3.07Å; L81-L102 HydrophobicContact CD2-CD1 4.13Å
82E78.9Confident82.5Confident94 Ų9483.3 Ų83.344%0.43942%0.422SS..PPolyproline II helixtrans-58.3145.1171.8-78.3164.4-150.200111R76 R88 N96R76-E82 PolarHBondContact NE-O 3.16Å; R76-E82 PolarHBondContact NH2-O 2.76Å; E82-R88 IonicContact OE2-CZ 3.75Å; E82-R88 IonicContact OE2-NH1 2.95Å; E82-R88 IonicContact OE2-NH2 2.67Å; E82-R88 PolarHBondContact OE2-NH2 3.07Å; E82-N96 HydrophobicContact CG-CB 4.43Å; E82-N96 VanDerWaalsContact OE1-CB 3.24Å; E82-N96 WeakPolarHBondContact OE1-CB 3.43Å; E82-N96 PolarHBondContact OE1-ND2 3.29Å
83E72.2Confident81.8Confident135 Ų13583.8 Ų83.863%0.63143%0.426SS*.PPolyproline II helixtrans-59.2150.3169.7-165.4161-164.600109.4E85E83-E85 PolarHBondContact O-N 3.1Å
84N68.5Low81.1Confident112 Ų11283.1 Ų83.160%0.59942%0.42SS*.  trans-71.679.8174.3-85.6-11.2000108.5R76 S86R76-N84 PolarHBondContact NH1-ND2 2.98Å; R76-N84 PolarHBondContact NH2-OD1 2.93Å; N84-S86 PolarHBondContact O-N 3.32Å; N84-S86 VanDerWaalsContact O-N 3.09Å
85E67Low80.4Confident103 Ų10382.3 Ų82.348%0.48142%0.415SS..  trans-56111.6171.2-77.3-72.2158.600109.4E83 S87 R88E83-E85 PolarHBondContact O-N 3.1Å; E85-S87 PolarHBondContact O-N 3.22Å; E85-S87 VanDerWaalsContact O-N 3.15Å; E85-S87 PolarHBondContact OE2-OG 3.22Å; E85-R88 HydrophobicContact CB-CB 4.36Å; E85-R88 VanDerWaalsContact O-CB 3.31Å; E85-R88 WeakPolarHBondContact O-CB 3.38Å; E85-R88 PolarHBondContact O-N 2.94Å
86S67.5Low80Confident128 Ų12883.5 Ų83.590%0.89542%0.422SS*.THydrogen-bonded Turntrans-59.2-22.5171.553.70000111.8N84 R88N84-S86 PolarHBondContact O-N 3.32Å; N84-S86 VanDerWaalsContact O-N 3.09Å; S86-R88 VanDerWaalsContact C-N 3.33Å
87S76.4Confident79.8Confident85 Ų8584.7 Ų84.759%0.59443%0.43SS*.THydrogen-bonded Turntrans-79.5-5.1176.871.50000114.5E85 R89E85-S87 PolarHBondContact O-N 3.22Å; E85-S87 VanDerWaalsContact O-N 3.15Å; E85-S87 PolarHBondContact OE2-OG 3.22Å; S87-R89 PolarHBondContact O-N 3.41Å
88R78.5Confident79.7Confident67 Ų6780.1 Ų80.125%0.25341%0.41SS..  trans-61.6128.1-176.5-175.7176.1-68.5-102.4-8.7111E82 E85 S86 L90 M92 P93E82-R88 IonicContact OE2-CZ 3.75Å; E82-R88 IonicContact OE2-NH1 2.95Å; E82-R88 IonicContact OE2-NH2 2.67Å; E82-R88 PolarHBondContact OE2-NH2 3.07Å; E85-R88 HydrophobicContact CB-CB 4.36Å; E85-R88 VanDerWaalsContact O-CB 3.31Å; E85-R88 WeakPolarHBondContact O-CB 3.38Å; E85-R88 PolarHBondContact O-N 2.94Å; S86-R88 VanDerWaalsContact C-N 3.33Å; R88-L90 PolarHBondContact O-N 3.18Å; R88-M92 HydrophobicContact CG-CB 4.48Å; R88-P93 PolarHBondContact NH1-O 3.33Å
89R81.4Confident79.5Confident181 Ų18178.7 Ų78.768%0.68340%0.402SS*.  trans-64.8133.5178.6-63.2-80.1-170.9159.91110.5S87 H91 M92S87-R89 PolarHBondContact O-N 3.41Å; R89-H91 VanDerWaalsContact CB-CE1 3.43Å; R89-H91 WeakPolarHBondContact CB-CE1 3.47Å; R89-H91 PolarHBondContact O-N 2.9Å; R89-M92 HydrophobicContact CB-CG 4.14Å; R89-M92 WeakPolarHBondContact O-CB 3.42Å; R89-M92 PolarHBondContact O-N 2.84Å
90L77.4Confident79.3Confident163 Ų16379.6 Ų79.685%0.85341%0.406SS*.THydrogen-bonded Turntrans-58.4-22.6179.5-69176.2000114.7R88 M92 W129R88-L90 PolarHBondContact O-N 3.18Å; L90-M92 VanDerWaalsContact C-N 3.34Å; L90-W129 WeakPolarHBondContact O-CH2 3.37Å; L90-W129 WeakPolarHBondContact O-CZ3 3.47Å
91H75.9Confident79.3Confident119 Ų11975.2 Ų75.255%0.55138%0.383SS*.THydrogen-bonded Turntrans-86.8-6.3178.666.8-93.8000113.4R89R89-H91 VanDerWaalsContact CB-CE1 3.43Å; R89-H91 WeakPolarHBondContact CB-CE1 3.47Å; R89-H91 PolarHBondContact O-N 2.9Å
92M78.3Confident79.5Confident89 Ų8974 Ų7444%0.43838%0.376SS..SBendtrans-89.3150.4175.8-73.2-73.798.800110.2R88 R89 L90R88-M92 HydrophobicContact CG-CB 4.48Å; R89-M92 HydrophobicContact CB-CG 4.14Å; R89-M92 WeakPolarHBondContact O-CB 3.42Å; R89-M92 PolarHBondContact O-N 2.84Å; L90-M92 VanDerWaalsContact C-N 3.34Å
93P78.3Confident79.9Confident31 Ų3170.4 Ų70.420%0.20136%0.36CS..  trans-57.4141.3171.924.5-32.7000110.3R88 R95 M100 W129R88-P93 PolarHBondContact NH1-O 3.33Å; P93-R95 PolarHBondContact O-N 3.07Å; P93-R95 VanDerWaalsContact O-N 3.12Å; P93-M100 HydrophobicContact CB-SD 3.71Å; P93-M100 HydrophobicContact CG-SD 4.11Å; P93-W129 HydrophobicContact CB-CB 4.45Å; P93-W129 HydrophobicContact CB-CG 4.02Å
94P76.4Confident80.6Confident49 Ų4964.1 Ų64.132%0.31833%0.331SS..SBendtrans-69.3-11.8-175.527.3-34.5000112.8W129 I139P94-W129 VanDerWaalsContact CD-NE1 3.28Å; P94-I139 HydrophobicContact CG-CD1 3.5Å; P94-I139 VanDerWaalsContact CG-CD1 3.5Å; P94-I139 HydrophobicContact CG-CG1 3.38Å
95R81.4Confident81.5Confident57 Ų5759.5 Ų59.522%0.21531%0.305CS..SBendtrans-129.9155.1173.4-59.9-171.2-173.1-87.96110.6P93 M100 E103 I139P93-R95 PolarHBondContact O-N 3.07Å; P93-R95 VanDerWaalsContact O-N 3.12Å; R95-M100 HydrophobicContact CB-CG 4.3Å; R95-E103 IonicContact NE-OE2 2.76Å; R95-I139 HydrophobicContact CB-CD1 4.17Å; R95-I139 HydrophobicContact CG-CD1 4.28Å
96N83.8Confident82.2Confident30 Ų3056 Ų5616%0.1629%0.292CS..  trans-67.7173.8169.969.65.2000111.4E82 V98 G99 M100E82-N96 HydrophobicContact CG-CB 4.43Å; E82-N96 VanDerWaalsContact OE1-CB 3.24Å; E82-N96 WeakPolarHBondContact OE1-CB 3.43Å; E82-N96 PolarHBondContact OE1-ND2 3.29Å; N96-V98 PolarHBondContact O-N 3.28Å; N96-V98 PolarHBondContact OD1-N 2.97Å; N96-G99 PolarHBondContact O-N 2.88Å; N96-G99 VanDerWaalsContact O-N 3.1Å; N96-G99 PolarHBondContact OD1-N 3.02Å; N96-M100 WeakPolarHBondContact O-CG 3.36Å; N96-M100 PolarHBondContact O-N 3.14Å
97I86.2Confident82.9Confident64 Ų6454.5 Ų54.533%0.32827%0.267SS..Hα-helixtrans-60.1-34.6-174.6-167.263.2000113F101 F117 F120 V121 T124I97-F101 WeakPolarHBondContact O-CB 3.3Å; I97-F101 PolarHBondContact O-N 2.76Å; I97-F117 HydrophobicContact CG2-CZ 4.5Å; I97-F120 HydrophobicContact CD1-CD1 4.16Å; I97-F120 HydrophobicContact CD1-CE1 3.78Å; I97-F120 HydrophobicContact CG1-CE1 4.45Å; I97-V121 HydrophobicContact CG1-CG2 3.86Å; I97-T124 WeakPolarHBondContact CD1-OG1 3.38Å
98V88.8Confident82.9Confident21 Ų2155.6 Ų55.613%0.12727%0.271CS..Hα-helixtrans-66.5-50.5175174.40000109.7L12 N96 M100 F101 L102 F117L12-V98 HydrophobicContact CD2-CG1 3.9Å; L12-V98 HydrophobicContact CD2-CG2 4.45Å; N96-V98 PolarHBondContact O-N 3.28Å; N96-V98 PolarHBondContact OD1-N 2.97Å; V98-M100 VanDerWaalsContact C-N 3.33Å; V98-M100 PolarHBondContact O-N 2.84Å; V98-F101 CarbonylContact O-C 3.58Å; V98-F101 WeakPolarHBondContact O-CA 2.99Å; V98-F101 WeakPolarHBondContact O-CB 3.36Å; V98-F101 PolarHBondContact O-N 3.29Å; V98-L102 HydrophobicContact CG1-CD1 4.19Å; V98-L102 HydrophobicContact CG1-CG 4.3Å; V98-L102 WeakPolarHBondContact O-CG 3.37Å; V98-L102 PolarHBondContact O-N 2.77Å; V98-F117 HydrophobicContact CG2-CE2 4.25Å; V98-F117 HydrophobicContact CG2-CZ 4.12Å
99G88.4Confident82.9Confident2 Ų255.6 Ų55.62%0.02129%0.291CS..Hα-helixtrans-61.1-39.3177.700000113.5N96 F101 L102 E103N96-G99 PolarHBondContact O-N 2.88Å; N96-G99 VanDerWaalsContact O-N 3.1Å; N96-G99 PolarHBondContact OD1-N 3.02Å; G99-F101 VanDerWaalsContact C-N 3.31Å; G99-F101 PolarHBondContact O-N 3.12Å; G99-L102 PolarHBondContact O-N 3.09Å; G99-E103 WeakPolarHBondContact O-CB 3.45Å; G99-E103 PolarHBondContact O-N 3.47Å
100M86.4Confident82.9Confident21 Ų2148.1 Ų48.110%0.10327%0.267CS..Hα-helixtrans-62-40171.9-68.9-179.964.300111.7P93 R95 N96 V98 A104 F120 I139 F140P93-M100 HydrophobicContact CB-SD 3.71Å; P93-M100 HydrophobicContact CG-SD 4.11Å; R95-M100 HydrophobicContact CB-CG 4.3Å; N96-M100 WeakPolarHBondContact O-CG 3.36Å; N96-M100 PolarHBondContact O-N 3.14Å; V98-M100 VanDerWaalsContact C-N 3.33Å; V98-M100 PolarHBondContact O-N 2.84Å; M100-A104 WeakPolarHBondContact O-CB 2.79Å; M100-A104 PolarHBondContact O-N 3.15Å; M100-F120 HydrophobicContact CB-CE1 4.08Å; M100-F120 HydrophobicContact CB-CZ 3.89Å; M100-I139 HydrophobicContact CE-CG2 4.27Å; M100-I139 HydrophobicContact CG-CD1 3.79Å; M100-F140 HydrophobicContact CB-CE2 4.41Å; M100-F140 HydrophobicContact CB-CZ 4.47Å; M100-F140 HydrophobicContact CE-CE1 4.26Å; M100-F140 HydrophobicContact CE-CE2 4.44Å; M100-F140 HydrophobicContact CE-CZ 3.7Å
101F89.1Confident83.2Confident0 Ų048.3 Ų48.30%026%0.261CS..Hα-helixtrans-66.4-43.1176174.9-103.3000111.9L12 I97 V98 G99 A104 K105 F117 F120L12-F101 HydrophobicContact CD1-CD1 4.06Å; L12-F101 HydrophobicContact CD1-CE1 3.44Å; L12-F101 VanDerWaalsContact CD1-CE1 3.44Å; L12-F101 HydrophobicContact CD1-CZ 4.18Å; L12-F101 HydrophobicContact CD2-CD1 3.79Å; L12-F101 HydrophobicContact CD2-CE1 4.07Å; L12-F101 HydrophobicContact CG-CE1 4.41Å; I97-F101 WeakPolarHBondContact O-CB 3.3Å; I97-F101 PolarHBondContact O-N 2.76Å; V98-F101 CarbonylContact O-C 3.58Å; V98-F101 WeakPolarHBondContact O-CA 2.99Å; V98-F101 WeakPolarHBondContact O-CB 3.36Å; V98-F101 PolarHBondContact O-N 3.29Å; G99-F101 VanDerWaalsContact C-N 3.31Å; G99-F101 PolarHBondContact O-N 3.12Å; F101-A104 WeakPolarHBondContact O-CB 3.03Å; F101-A104 PolarHBondContact O-N 3.05Å; F101-K105 HydrophobicContact CD1-CG 4.18Å; F101-K105 HydrophobicContact CE1-CD 4.46Å; F101-K105 HydrophobicContact CE1-CG 3.84Å; F101-K105 HydrophobicContact CE2-CD 4.44Å; F101-K105 HydrophobicContact CE2-CG 4.23Å; F101-K105 HydrophobicContact CZ-CD 4.12Å; F101-K105 HydrophobicContact CZ-CG 3.92Å; F101-K105 VanDerWaalsContact O-CG 3.29Å; F101-K105 WeakPolarHBondContact O-CG 3.3Å; F101-K105 PolarHBondContact O-N 3.4Å; F101-F117 HydrophobicContact CB-CD2 3.96Å; F101-F117 HydrophobicContact CB-CE2 4.09Å; F101-F117 AromaticContact CD1-CD2 3.74Å; F101-F117 HydrophobicContact CD1-CD2 3.74Å; F101-F117 HydrophobicContact CD1-CE2 4.46Å; F101-F117 AromaticContact CD2-CD2 3.92Å; F101-F117 HydrophobicContact CD2-CD2 3.92Å; F101-F117 HydrophobicContact CE1-CB 4.19Å; F101-F117 HydrophobicContact CE1-CD2 4.12Å; F101-F117 HydrophobicContact CE2-CB 4.02Å; F101-F117 HydrophobicContact CE2-CD2 4.25Å; F101-F117 AromaticContact CG-CD2 3.6Å; F101-F117 HydrophobicContact CG-CD2 3.6Å; F101-F117 HydrophobicContact CG-CE2 4.24Å; F101-F117 HydrophobicContact CZ-CB 3.8Å; F101-F117 HydrophobicContact CZ-CD2 4.31Å; F101-F120 HydrophobicContact CB-CD1 3.77Å; F101-F120 HydrophobicContact CB-CE1 3.71Å; F101-F120 HydrophobicContact CB-CG 4.31Å; F101-F120 HydrophobicContact CB-CZ 4.21Å; F101-F120 HydrophobicContact CD2-CB 3.63Å; F101-F120 AromaticContact CD2-CD1 3.87Å; F101-F120 HydrophobicContact CD2-CD1 3.87Å; F101-F120 HydrophobicContact CD2-CD2 4.01Å; F101-F120 HydrophobicContact CD2-CE1 4.49Å; F101-F120 AromaticContact CD2-CG 3.58Å; F101-F120 HydrophobicContact CD2-CG 3.58Å; F101-F120 HydrophobicContact CE2-CB 4.03Å; F101-F120 HydrophobicContact CE2-CG 4.42Å; F101-F120 HydrophobicContact CG-CD1 4.3Å; F101-F120 HydrophobicContact CG-CG 4.43Å
102L89.5Confident83.7Confident2 Ų244.4 Ų44.41%0.0124%0.244CC..Hα-helixtrans-64.4-42.9177.8-62.7-174.9000111.4P13 L16 I50 L79 L81 V98 G99 A104 K105 S106P13-L102 HydrophobicContact CG-CD1 4.42Å; L16-L102 HydrophobicContact CD1-CD2 3.43Å; L16-L102 VanDerWaalsContact CD1-CD2 3.43Å; L16-L102 HydrophobicContact CD2-CD2 4.21Å; L16-L102 HydrophobicContact CG-CD2 4.43Å; I50-L102 HydrophobicContact CD1-CB 4.14Å; I50-L102 HydrophobicContact CD1-CD2 4.05Å; I50-L102 HydrophobicContact CG1-CB 4.25Å; I50-L102 HydrophobicContact CG2-CB 3.93Å; L79-L102 HydrophobicContact CB-CD1 4.31Å; L81-L102 HydrophobicContact CD2-CD1 4.13Å; V98-L102 HydrophobicContact CG1-CD1 4.19Å; V98-L102 HydrophobicContact CG1-CG 4.3Å; V98-L102 WeakPolarHBondContact O-CG 3.37Å; V98-L102 PolarHBondContact O-N 2.77Å; G99-L102 PolarHBondContact O-N 3.09Å; L102-A104 VanDerWaalsContact C-N 3.3Å; L102-A104 PolarHBondContact O-N 3.27Å; L102-K105 CarbonylContact O-C 3.58Å; L102-K105 WeakPolarHBondContact O-CA 3.31Å; L102-K105 WeakPolarHBondContact O-CB 3.3Å; L102-K105 PolarHBondContact O-N 2.8Å; L102-S106 PolarHBondContact O-N 3.26Å
103E86Confident84Confident20 Ų2040.7 Ų40.79%0.09323%0.226CC..Hα-helixtrans-59.5-41.3171.6-175.1-178.9167.500111.3R95 G99 K105 S106 Y107 I138 I139R95-E103 IonicContact NE-OE2 2.76Å; G99-E103 WeakPolarHBondContact O-CB 3.45Å; G99-E103 PolarHBondContact O-N 3.47Å; E103-K105 PolarHBondContact O-N 3.12Å; E103-S106 PolarHBondContact O-N 2.94Å; E103-S106 PolarHBondContact O-OG 3.02Å; E103-Y107 WeakPolarHBondContact O-CD2 3.48Å; E103-I138 WeakPolarHBondContact OE1-CA 3.35Å; E103-I139 PolarHBondContact OE1-N 3.02Å; E103-I139 WeakPolarHBondContact OE2-CD1 3.36Å; E103-I139 WeakPolarHBondContact OE2-CG1 3.43Å
104A87.2Confident84.4Confident2 Ų246.9 Ų46.92%0.01725%0.246CC..Hα-helixtrans-64-30.7173.700000112.7M100 F101 L102 L112 S113 F120 F140M100-A104 WeakPolarHBondContact O-CB 2.79Å; M100-A104 PolarHBondContact O-N 3.15Å; F101-A104 WeakPolarHBondContact O-CB 3.03Å; F101-A104 PolarHBondContact O-N 3.05Å; L102-A104 VanDerWaalsContact C-N 3.3Å; L102-A104 PolarHBondContact O-N 3.27Å; A104-L112 HydrophobicContact CB-CB 3.9Å; A104-S113 WeakPolarHBondContact O-CA 3.4Å; A104-S113 WeakPolarHBondContact O-CB 3.45Å; A104-F120 HydrophobicContact CB-CD2 4.35Å; A104-F120 HydrophobicContact CB-CE2 3.67Å; A104-F120 HydrophobicContact CB-CZ 4.34Å; A104-F140 HydrophobicContact CB-CE2 4.16Å
105K86.6Confident84.9Confident16 Ų1646.1 Ų46.17%0.0724%0.239CC..Hα-helixtrans-80-23.5-179.7-73.9-70.8178.5-173.40114.3F3 R47 F101 L102 E103 Y107 S113 L115F3-K105 HydrophobicContact CE2-CD 4.28Å; R47-K105 PolarHBondContact NH2-O 3.37Å; R47-K105 VanDerWaalsContact NH2-O 3.11Å; F101-K105 HydrophobicContact CD1-CG 4.18Å; F101-K105 HydrophobicContact CE1-CD 4.46Å; F101-K105 HydrophobicContact CE1-CG 3.84Å; F101-K105 HydrophobicContact CE2-CD 4.44Å; F101-K105 HydrophobicContact CE2-CG 4.23Å; F101-K105 HydrophobicContact CZ-CD 4.12Å; F101-K105 HydrophobicContact CZ-CG 3.92Å; F101-K105 VanDerWaalsContact O-CG 3.29Å; F101-K105 WeakPolarHBondContact O-CG 3.3Å; F101-K105 PolarHBondContact O-N 3.4Å; L102-K105 CarbonylContact O-C 3.58Å; L102-K105 WeakPolarHBondContact O-CA 3.31Å; L102-K105 WeakPolarHBondContact O-CB 3.3Å; L102-K105 PolarHBondContact O-N 2.8Å; E103-K105 PolarHBondContact O-N 3.12Å; K105-Y107 VanDerWaalsContact C-N 3.33Å; K105-S113 WeakPolarHBondContact CD-O 3.36Å; K105-S113 WeakPolarHBondContact CE-O 3.37Å; K105-S113 PolarHBondContact NZ-O 3.36Å; K105-L115 WeakPolarHBondContact CE-O 3.49Å; K105-L115 PolarHBondContact NZ-O 3.48Å
106S83.5Confident85.4Confident28 Ų2845.6 Ų45.620%0.19624%0.242CC..Hα-helixtrans-70.2-32174.963.50000111.9N51 L102 E103 T108N51-S106 WeakPolarHBondContact OD1-CB 3.3Å; L102-S106 PolarHBondContact O-N 3.26Å; E103-S106 PolarHBondContact O-N 2.94Å; E103-S106 PolarHBondContact O-OG 3.02Å; S106-T108 PolarHBondContact O-N 3.39Å
107Y81.2Confident85.7Confident97 Ų9745.6 Ų45.638%0.3824%0.241SC..  trans-88.382.7176.8-70.6-78.7000113.1E103 K105 G109 S110 S113 I138 H142E103-Y107 WeakPolarHBondContact O-CD2 3.48Å; K105-Y107 VanDerWaalsContact C-N 3.33Å; Y107-G109 PolarHBondContact O-N 3.27Å; Y107-S110 PolarHBondContact O-N 3.02Å; Y107-S110 VanDerWaalsContact O-N 3.09Å; Y107-S113 WeakPolarHBondContact O-CB 3.48Å; Y107-S113 PolarHBondContact O-OG 2.94Å; Y107-I138 VanDerWaalsContact OH-CD1 3.25Å; Y107-I138 WeakPolarHBondContact OH-CD1 3.36Å; Y107-H142 AromaticContact CD2-NE2 3.89Å
108T76.4Confident85.9Confident109 Ų10945.9 Ų45.967%0.66925%0.247SC*.THydrogen-bonded Turntrans-58.9-11.3-172.541.80000116.8S106 S113S106-T108 PolarHBondContact O-N 3.39Å; T108-S113 PolarHBondContact O-OG 3.2Å
109G79.1Confident86Confident66 Ų6651.2 Ų51.268%0.6827%0.265SS*.THydrogen-bonded Turntrans-89.3-21.2174.900000115.6Y107 R114Y107-G109 PolarHBondContact O-N 3.27Å; G109-R114 PolarHBondContact O-NH1 3.23Å; G109-R114 VanDerWaalsContact O-NH1 3.11Å
110S80.6Confident86.1Confident25 Ų2551.1 Ų51.118%0.17526%0.264CS..SBendtrans-71.4146.9-170175.30000112.7Y107 L112 S113 R114Y107-S110 PolarHBondContact O-N 3.02Å; Y107-S110 VanDerWaalsContact O-N 3.09Å; S110-L112 PolarHBondContact O-N 2.98Å; S110-L112 PolarHBondContact OG-N 3.47Å; S110-S113 WeakPolarHBondContact O-CB 3.5Å; S110-S113 PolarHBondContact O-N 3.1Å; S110-S113 VanDerWaalsContact O-N 3.12Å; S110-S113 PolarHBondContact O-OG 2.81Å; S110-R114 PolarHBondContact O-NH1 3.2Å
111K85Confident86.2Confident166 Ų16652.6 Ų52.672%0.72227%0.274SS*.THydrogen-bonded Turntrans-54.5-36.1169-75.8-178.4-179.2179.80111.7R114K111-R114 PolarHBondContact O-N 3.22Å
112L84.5Confident86.2Confident38 Ų3858.3 Ų58.320%0.19930%0.296CS..G310 helixtrans-68.2-35.9179.9-64.6172.9000112.1A104 S110 R114 L115 F120 F140A104-L112 HydrophobicContact CB-CB 3.9Å; S110-L112 PolarHBondContact O-N 2.98Å; S110-L112 PolarHBondContact OG-N 3.47Å; L112-R114 PolarHBondContact O-N 3.45Å; L112-R114 VanDerWaalsContact O-N 3.16Å; L112-L115 HydrophobicContact CD2-CD1 3.87Å; L112-L115 WeakPolarHBondContact O-CB 3.35Å; L112-L115 PolarHBondContact O-N 3.37Å; L112-L115 VanDerWaalsContact O-N 3.07Å; L112-F120 HydrophobicContact CB-CE2 4.46Å; L112-F120 HydrophobicContact CD2-CD2 4.43Å; L112-F120 HydrophobicContact CD2-CE2 4.43Å; L112-F140 HydrophobicContact CD1-CB 4.38Å; L112-F140 HydrophobicContact CD1-CD1 3.29Å; L112-F140 HydrophobicContact CD1-CD2 4.12Å; L112-F140 HydrophobicContact CD1-CE1 3.44Å; L112-F140 VanDerWaalsContact CD1-CE1 3.44Å; L112-F140 HydrophobicContact CD1-CE2 4.23Å; L112-F140 HydrophobicContact CD1-CG 3.65Å; L112-F140 HydrophobicContact CD1-CZ 3.92Å
113S84.7Confident86.1Confident10 Ų1061.9 Ų61.97%0.0732%0.315CS..G310 helixtrans-61.1-25.817879.40000112.9A104 K105 Y107 T108 S110A104-S113 WeakPolarHBondContact O-CA 3.4Å; A104-S113 WeakPolarHBondContact O-CB 3.45Å; K105-S113 WeakPolarHBondContact CD-O 3.36Å; K105-S113 WeakPolarHBondContact CE-O 3.37Å; K105-S113 PolarHBondContact NZ-O 3.36Å; Y107-S113 WeakPolarHBondContact O-CB 3.48Å; Y107-S113 PolarHBondContact O-OG 2.94Å; T108-S113 PolarHBondContact O-OG 3.2Å; S110-S113 WeakPolarHBondContact O-CB 3.5Å; S110-S113 PolarHBondContact O-N 3.1Å; S110-S113 VanDerWaalsContact O-N 3.12Å; S110-S113 PolarHBondContact O-OG 2.81Å
114R86.8Confident86Confident162 Ų16261.8 Ų61.861%0.61132%0.316SS*.G310 helixtrans-84.6-11.9179.8-64.2-168.6-70.5-86.59.9113.5G109 S110 K111 L112G109-R114 PolarHBondContact O-NH1 3.23Å; G109-R114 VanDerWaalsContact O-NH1 3.11Å; S110-R114 PolarHBondContact O-NH1 3.2Å; K111-R114 PolarHBondContact O-N 3.22Å; L112-R114 PolarHBondContact O-N 3.45Å; L112-R114 VanDerWaalsContact O-N 3.16Å
115L88.5Confident85.8Confident33 Ų3369.9 Ų69.917%0.17335%0.346CS..SBendtrans-73.4145.3-179.1-59.1-178.3000110.9K105 L112 R119 F120 N123K105-L115 WeakPolarHBondContact CE-O 3.49Å; K105-L115 PolarHBondContact NZ-O 3.48Å; L112-L115 HydrophobicContact CD2-CD1 3.87Å; L112-L115 WeakPolarHBondContact O-CB 3.35Å; L112-L115 PolarHBondContact O-N 3.37Å; L112-L115 VanDerWaalsContact O-N 3.07Å; L115-R119 HydrophobicContact CB-CB 4.42Å; L115-R119 HydrophobicContact CD2-CG 3.94Å; L115-F120 HydrophobicContact CB-CB 4.22Å; L115-N123 HydrophobicContact CD1-CB 4.31Å; L115-N123 WeakPolarHBondContact CD1-ND2 3.24Å
116T90.8Very high85.3Confident46 Ų4673.9 Ų73.928%0.28238%0.376SS..  trans-71158.4164.365.90000109.3I6 R119 F120I6-T116 HydrophobicContact CD1-CG2 3.67Å; I6-T116 HydrophobicContact CG1-CG2 4.43Å; T116-R119 PolarHBondContact O-N 3.06Å; T116-R119 VanDerWaalsContact O-N 3.1Å; T116-R119 WeakPolarHBondContact OG1-CB 3.43Å; T116-R119 PolarHBondContact OG1-N 2.87Å; T116-F120 WeakPolarHBondContact O-CB 3.42Å; T116-F120 PolarHBondContact O-N 3.43Å
117F90.3Very high85Confident29 Ų2975.8 Ų75.813%0.12739%0.393CS..Hα-helixtrans-55.9-47.6179.7-178.5-107.1000113I6 T10 L12 I97 V98 F101 R119 F120 V121I6-F117 HydrophobicContact CG2-CB 3.74Å; T10-F117 HydrophobicContact CG2-CB 4.42Å; T10-F117 HydrophobicContact CG2-CD1 3.92Å; L12-F117 HydrophobicContact CD1-CB 3.95Å; L12-F117 HydrophobicContact CD1-CD2 4.33Å; L12-F117 HydrophobicContact CD1-CG 4.16Å; L12-F117 HydrophobicContact CD2-CD2 3.8Å; L12-F117 HydrophobicContact CD2-CE2 3.92Å; L12-F117 HydrophobicContact CD2-CG 4.26Å; L12-F117 HydrophobicContact CD2-CZ 4.47Å; L12-F117 HydrophobicContact CG-CD2 4.24Å; L12-F117 HydrophobicContact CG-CG 4.2Å; I97-F117 HydrophobicContact CG2-CZ 4.5Å; V98-F117 HydrophobicContact CG2-CE2 4.25Å; V98-F117 HydrophobicContact CG2-CZ 4.12Å; F101-F117 HydrophobicContact CB-CD2 3.96Å; F101-F117 HydrophobicContact CB-CE2 4.09Å; F101-F117 AromaticContact CD1-CD2 3.74Å; F101-F117 HydrophobicContact CD1-CD2 3.74Å; F101-F117 HydrophobicContact CD1-CE2 4.46Å; F101-F117 AromaticContact CD2-CD2 3.92Å; F101-F117 HydrophobicContact CD2-CD2 3.92Å; F101-F117 HydrophobicContact CE1-CB 4.19Å; F101-F117 HydrophobicContact CE1-CD2 4.12Å; F101-F117 HydrophobicContact CE2-CB 4.02Å; F101-F117 HydrophobicContact CE2-CD2 4.25Å; F101-F117 AromaticContact CG-CD2 3.6Å; F101-F117 HydrophobicContact CG-CD2 3.6Å; F101-F117 HydrophobicContact CG-CE2 4.24Å; F101-F117 HydrophobicContact CZ-CB 3.8Å; F101-F117 HydrophobicContact CZ-CD2 4.31Å; F117-R119 VanDerWaalsContact C-N 3.27Å; F117-R119 PolarHBondContact O-N 3.31Å; F117-F120 WeakPolarHBondContact O-CB 3.48Å; F117-F120 PolarHBondContact O-N 3.26Å; F117-F120 VanDerWaalsContact O-N 3.15Å; F117-V121 HydrophobicContact CD1-CG2 4.31Å; F117-V121 HydrophobicContact CD2-CG2 4.32Å; F117-V121 HydrophobicContact CE1-CG2 3.94Å; F117-V121 HydrophobicContact CE2-CG2 3.96Å; F117-V121 HydrophobicContact CG-CG2 4.5Å; F117-V121 HydrophobicContact CZ-CG2 3.76Å; F117-V121 WeakPolarHBondContact O-CG2 2.92Å; F117-V121 PolarHBondContact O-N 2.67Å
118P90.2Very high84.7Confident70 Ų7078 Ų7846%0.45541%0.411SS..Hα-helixtrans-59.2-38176.2-24.734.9000113.1T10 Y122T10-P118 HydrophobicContact CG2-CG 4.39Å; P118-Y122 WeakPolarHBondContact O-CB 3.41Å; P118-Y122 PolarHBondContact O-N 2.96Å
119R90.8Very high84.6Confident134 Ų13475.9 Ų75.951%0.50639%0.39SS..Hα-helixtrans-72.7-35.5178.9-168.160.1171.5-176.31112.1L115 T116 F117 N123L115-R119 HydrophobicContact CB-CB 4.42Å; L115-R119 HydrophobicContact CD2-CG 3.94Å; T116-R119 PolarHBondContact O-N 3.06Å; T116-R119 VanDerWaalsContact O-N 3.1Å; T116-R119 WeakPolarHBondContact OG1-CB 3.43Å; T116-R119 PolarHBondContact OG1-N 2.87Å; F117-R119 VanDerWaalsContact C-N 3.27Å; F117-R119 PolarHBondContact O-N 3.31Å; R119-N123 PolarHBondContact NE-OD1 3.46Å; R119-N123 VanDerWaalsContact O-CB 3.3Å; R119-N123 WeakPolarHBondContact O-CB 3.21Å; R119-N123 PolarHBondContact O-N 2.92Å; R119-N123 PolarHBondContact O-OD1 3.01Å; R119-N123 VanDerWaalsContact O-OD1 3.09Å
120F90.5Very high84.2Confident0 Ų079.1 Ų79.10%039%0.388CS..Hα-helixtrans-60.9-53.5173.1179.4-93000110.4I97 M100 F101 A104 L112 L115 T116 F117 Y122 N123 T124 F140I97-F120 HydrophobicContact CD1-CD1 4.16Å; I97-F120 HydrophobicContact CD1-CE1 3.78Å; I97-F120 HydrophobicContact CG1-CE1 4.45Å; M100-F120 HydrophobicContact CB-CE1 4.08Å; M100-F120 HydrophobicContact CB-CZ 3.89Å; F101-F120 HydrophobicContact CB-CD1 3.77Å; F101-F120 HydrophobicContact CB-CE1 3.71Å; F101-F120 HydrophobicContact CB-CG 4.31Å; F101-F120 HydrophobicContact CB-CZ 4.21Å; F101-F120 HydrophobicContact CD2-CB 3.63Å; F101-F120 AromaticContact CD2-CD1 3.87Å; F101-F120 HydrophobicContact CD2-CD1 3.87Å; F101-F120 HydrophobicContact CD2-CD2 4.01Å; F101-F120 HydrophobicContact CD2-CE1 4.49Å; F101-F120 AromaticContact CD2-CG 3.58Å; F101-F120 HydrophobicContact CD2-CG 3.58Å; F101-F120 HydrophobicContact CE2-CB 4.03Å; F101-F120 HydrophobicContact CE2-CG 4.42Å; F101-F120 HydrophobicContact CG-CD1 4.3Å; F101-F120 HydrophobicContact CG-CG 4.43Å; A104-F120 HydrophobicContact CB-CD2 4.35Å; A104-F120 HydrophobicContact CB-CE2 3.67Å; A104-F120 HydrophobicContact CB-CZ 4.34Å; L112-F120 HydrophobicContact CB-CE2 4.46Å; L112-F120 HydrophobicContact CD2-CD2 4.43Å; L112-F120 HydrophobicContact CD2-CE2 4.43Å; L115-F120 HydrophobicContact CB-CB 4.22Å; T116-F120 WeakPolarHBondContact O-CB 3.42Å; T116-F120 PolarHBondContact O-N 3.43Å; F117-F120 WeakPolarHBondContact O-CB 3.48Å; F117-F120 PolarHBondContact O-N 3.26Å; F117-F120 VanDerWaalsContact O-N 3.15Å; F120-Y122 VanDerWaalsContact C-N 3.31Å; F120-Y122 PolarHBondContact O-N 3.34Å; F120-N123 PolarHBondContact O-N 3.39Å; F120-T124 HydrophobicContact CD1-CG2 4.44Å; F120-T124 HydrophobicContact CD2-CG2 4.32Å; F120-T124 HydrophobicContact CE1-CG2 4.19Å; F120-T124 HydrophobicContact CE2-CG2 4.05Å; F120-T124 HydrophobicContact CZ-CG2 3.99Å; F120-T124 WeakPolarHBondContact O-CG2 3.3Å; F120-T124 PolarHBondContact O-N 3.09Å; F120-T124 PolarHBondContact O-OG1 3.35Å; F120-F140 HydrophobicContact CE2-CE2 4.27Å; F120-F140 AromaticContact CE2-CZ 3.87Å; F120-F140 HydrophobicContact CE2-CZ 3.87Å; F120-F140 HydrophobicContact CZ-CE2 4.12Å; F120-F140 AromaticContact CZ-CZ 3.7Å; F120-F140 HydrophobicContact CZ-CZ 3.7Å
121V89.5Confident83.5Confident52 Ų5281.5 Ų81.532%0.31540%0.403SS..Hα-helixtrans-54.7-48.1177.2176.30000110.8I97 F117 N123 T124 R125I97-V121 HydrophobicContact CG1-CG2 3.86Å; F117-V121 HydrophobicContact CD1-CG2 4.31Å; F117-V121 HydrophobicContact CD2-CG2 4.32Å; F117-V121 HydrophobicContact CE1-CG2 3.94Å; F117-V121 HydrophobicContact CE2-CG2 3.96Å; F117-V121 HydrophobicContact CG-CG2 4.5Å; F117-V121 HydrophobicContact CZ-CG2 3.76Å; F117-V121 WeakPolarHBondContact O-CG2 2.92Å; F117-V121 PolarHBondContact O-N 2.67Å; V121-N123 VanDerWaalsContact C-N 3.32Å; V121-N123 PolarHBondContact O-N 2.61Å; V121-T124 PolarHBondContact O-N 2.95Å; V121-R125 WeakPolarHBondContact O-CB 3.44Å; V121-R125 PolarHBondContact O-N 2.91Å
122Y89.7Confident82.5Confident120 Ų12074.4 Ų74.447%0.47137%0.374SS..Hα-helixtrans-59.2-42.8178-179.2-92.9000112.6P118 F120 R125P118-Y122 WeakPolarHBondContact O-CB 3.41Å; P118-Y122 PolarHBondContact O-N 2.96Å; F120-Y122 VanDerWaalsContact C-N 3.31Å; F120-Y122 PolarHBondContact O-N 3.34Å; Y122-R125 WeakPolarHBondContact O-CG 3.36Å
123N86.5Confident81.6Confident77 Ų7780.4 Ų80.441%0.41241%0.405SS..Hα-helixtrans-71.9-30.8-178.8-76.423.6000112.8L115 R119 F120 V121L115-N123 HydrophobicContact CD1-CB 4.31Å; L115-N123 WeakPolarHBondContact CD1-ND2 3.24Å; R119-N123 PolarHBondContact NE-OD1 3.46Å; R119-N123 VanDerWaalsContact O-CB 3.3Å; R119-N123 WeakPolarHBondContact O-CB 3.21Å; R119-N123 PolarHBondContact O-N 2.92Å; R119-N123 PolarHBondContact O-OD1 3.01Å; R119-N123 VanDerWaalsContact O-OD1 3.09Å; F120-N123 PolarHBondContact O-N 3.39Å; V121-N123 VanDerWaalsContact C-N 3.32Å; V121-N123 PolarHBondContact O-N 2.61Å
124T84.3Confident80.4Confident18 Ų1883.3 Ų83.311%0.1142%0.423CS..Hα-helixtrans-100.1-9.1-175.961.60000113.9I97 F120 V121 S126 A127I97-T124 WeakPolarHBondContact CD1-OG1 3.38Å; F120-T124 HydrophobicContact CD1-CG2 4.44Å; F120-T124 HydrophobicContact CD2-CG2 4.32Å; F120-T124 HydrophobicContact CE1-CG2 4.19Å; F120-T124 HydrophobicContact CE2-CG2 4.05Å; F120-T124 HydrophobicContact CZ-CG2 3.99Å; F120-T124 WeakPolarHBondContact O-CG2 3.3Å; F120-T124 PolarHBondContact O-N 3.09Å; F120-T124 PolarHBondContact O-OG1 3.35Å; V121-T124 PolarHBondContact O-N 2.95Å; T124-S126 PolarHBondContact O-N 3.15Å; T124-A127 WeakPolarHBondContact O-CB 3.45Å; T124-A127 PolarHBondContact O-N 2.8Å
125R81.7Confident78.9Confident171 Ų17183.5 Ų83.565%0.64544%0.436SS*.THydrogen-bonded Turntrans-54.8-29.9-176.273.3-172.7-179.3158.82114.9V121 Y122V121-R125 WeakPolarHBondContact O-CB 3.44Å; V121-R125 PolarHBondContact O-N 2.91Å; Y122-R125 WeakPolarHBondContact O-CG 3.36Å
126S77.6Confident77.3Confident100 Ų10089 Ų8970%0.69946%0.463SS*.THydrogen-bonded Turntrans-112.57-178.6-53.10000112.4T124 I128T124-S126 PolarHBondContact O-N 3.15Å; S126-I128 PolarHBondContact O-N 3.26Å
127A76.4Confident75.4Confident68 Ų6889.7 Ų89.756%0.56248%0.478SS*.  trans-70.3119.3179.100000108.9T124 W129T124-A127 WeakPolarHBondContact O-CB 3.45Å; T124-A127 PolarHBondContact O-N 2.8Å; A127-W129 PolarHBondContact O-N 3.1Å
128I74.9Confident73.8Confident145 Ų14590.2 Ų90.274%0.74448%0.482SS*.  trans-68.7115.8168-61.4174.1000106.4S126 Q130S126-I128 PolarHBondContact O-N 3.26Å; I128-Q130 HydrophobicContact CG2-CG 4.45Å; I128-Q130 PolarHBondContact O-N 2.99Å
129W73.8Confident72.4Confident63 Ų6387.6 Ų87.624%0.23946%0.464CS..  trans-62.8126.9173.7177.681.7000108.9L90 P93 P94 A127 P131L90-W129 WeakPolarHBondContact O-CH2 3.37Å; L90-W129 WeakPolarHBondContact O-CZ3 3.47Å; P93-W129 HydrophobicContact CB-CB 4.45Å; P93-W129 HydrophobicContact CB-CG 4.02Å; P94-W129 VanDerWaalsContact CD-NE1 3.28Å; A127-W129 PolarHBondContact O-N 3.1Å; W129-P131 HydrophobicContact CH2-CB 3.56Å; W129-P131 HydrophobicContact CH2-CG 3.77Å; W129-P131 HydrophobicContact CZ2-CB 3.75Å; W129-P131 HydrophobicContact CZ2-CG 4.39Å; W129-P131 HydrophobicContact CZ3-CB 4.23Å; W129-P131 VanDerWaalsContact CZ3-CD 3.48Å; W129-P131 HydrophobicContact CZ3-CG 3.96Å
130Q71.5Confident70.8Confident135 Ų13582.8 Ų82.863%0.63145%0.447SS*.  trans-126.9125171.3-67.2-175.26.400106.8I128 S132I128-Q130 HydrophobicContact CG2-CG 4.45Å; I128-Q130 PolarHBondContact O-N 2.99Å; Q130-S132 PolarHBondContact O-N 2.96Å
131P65.5Low69.1Low75 Ų7590.3 Ų90.349%0.48748%0.48SS..  trans-60.1135.3175.123.5-26.2000107.7W129 L133W129-P131 HydrophobicContact CH2-CB 3.56Å; W129-P131 HydrophobicContact CH2-CG 3.77Å; W129-P131 HydrophobicContact CZ2-CB 3.75Å; W129-P131 HydrophobicContact CZ2-CG 4.39Å; W129-P131 HydrophobicContact CZ3-CB 4.23Å; W129-P131 VanDerWaalsContact CZ3-CD 3.48Å; W129-P131 HydrophobicContact CZ3-CG 3.96Å; P131-L133 PolarHBondContact O-N 2.93Å
132S63.1Low67.3Low17 Ų1791.2 Ų91.212%0.11948%0.48CS..  trans-60.4137.2166.260.50000106.9Q130 T134 I138Q130-S132 PolarHBondContact O-N 2.96Å; S132-T134 VanDerWaalsContact CB-CG2 3.43Å; S132-T134 PolarHBondContact O-N 3.31Å; S132-T134 VanDerWaalsContact OG-CG2 3.3Å; S132-T134 WeakPolarHBondContact OG-CG2 3.38Å; S132-I138 PolarHBondContact OG-O 2.89Å
133L65.9Low65Low163 Ų16395.6 Ų95.685%0.85350%0.502SS*.SBendtrans-73.328.5176.2-63.2168.3000110.9P131P131-L133 PolarHBondContact O-N 2.93Å
134T60.1Low63Low72 Ų72104.3 Ų104.344%0.44254%0.54SS..SBendtrans-120.1141.6179.7154.90000109S132 M136S132-T134 VanDerWaalsContact CB-CG2 3.43Å; S132-T134 PolarHBondContact O-N 3.31Å; S132-T134 VanDerWaalsContact OG-CG2 3.3Å; S132-T134 WeakPolarHBondContact OG-CG2 3.38Å; T134-M136 PolarHBondContact O-N 2.91Å; T134-M136 WeakPolarHBondContact OG1-CG 3.34Å; T134-M136 PolarHBondContact OG1-N 3.39Å
135N54.8Low61.9Low166 Ų166108.7 Ų108.789%0.88856%0.561SS**THydrogen-bonded Turntrans-78.1-1-171-42.3-7.8000112.2G137N135-G137 VanDerWaalsContact C-N 3.3Å; N135-G137 PolarHBondContact O-N 3.33Å
136M55.8Low60.9Low149 Ų149105.4 Ų105.473%0.73456%0.557SS**THydrogen-bonded Turntrans-81.6-2.9-169.9-59.9-65.1-81.600114.1T134 I138T134-M136 PolarHBondContact O-N 2.91Å; T134-M136 WeakPolarHBondContact OG1-CG 3.34Å; T134-M136 PolarHBondContact OG1-N 3.39Å; M136-I138 HydrophobicContact CB-CD1 4.19Å; M136-I138 HydrophobicContact CB-CG1 4.36Å; M136-I138 PolarHBondContact O-N 3.07Å
137G51.1Low60Low59 Ų59105.7 Ų105.761%0.60855%0.549SS*.  trans71.69.1177.500000115.4N135N135-G137 VanDerWaalsContact C-N 3.3Å; N135-G137 PolarHBondContact O-N 3.33Å
138I56.6Low59Low40 Ų40107.9 Ų107.921%0.20555%0.548CS..  trans-82.5124.8178.5-59.7166.5000109.3E103 Y107 S132 M136E103-I138 WeakPolarHBondContact OE1-CA 3.35Å; Y107-I138 VanDerWaalsContact OH-CD1 3.25Å; Y107-I138 WeakPolarHBondContact OH-CD1 3.36Å; S132-I138 PolarHBondContact OG-O 2.89Å; M136-I138 HydrophobicContact CB-CD1 4.19Å; M136-I138 HydrophobicContact CB-CG1 4.36Å; M136-I138 PolarHBondContact O-N 3.07Å
139I60.5Low58Low15 Ų15105.6 Ų105.68%0.07754%0.536CS..SBendtrans-75.3-36.5-173-53.9173.4000111.2P94 R95 M100 E103P94-I139 HydrophobicContact CG-CD1 3.5Å; P94-I139 VanDerWaalsContact CG-CD1 3.5Å; P94-I139 HydrophobicContact CG-CG1 3.38Å; R95-I139 HydrophobicContact CB-CD1 4.17Å; R95-I139 HydrophobicContact CG-CD1 4.28Å; M100-I139 HydrophobicContact CE-CG2 4.27Å; M100-I139 HydrophobicContact CG-CD1 3.79Å; E103-I139 PolarHBondContact OE1-N 3.02Å; E103-I139 WeakPolarHBondContact OE2-CD1 3.36Å; E103-I139 WeakPolarHBondContact OE2-CG1 3.43Å
140F57.6Low57Low34 Ų34108.4 Ų108.415%0.14956%0.556CS.*SBendtrans-90.9119.6-176.2-67.2-67.3000111.1M100 A104 L112 F120 H142M100-F140 HydrophobicContact CB-CE2 4.41Å; M100-F140 HydrophobicContact CB-CZ 4.47Å; M100-F140 HydrophobicContact CE-CE1 4.26Å; M100-F140 HydrophobicContact CE-CE2 4.44Å; M100-F140 HydrophobicContact CE-CZ 3.7Å; A104-F140 HydrophobicContact CB-CE2 4.16Å; L112-F140 HydrophobicContact CD1-CB 4.38Å; L112-F140 HydrophobicContact CD1-CD1 3.29Å; L112-F140 HydrophobicContact CD1-CD2 4.12Å; L112-F140 HydrophobicContact CD1-CE1 3.44Å; L112-F140 VanDerWaalsContact CD1-CE1 3.44Å; L112-F140 HydrophobicContact CD1-CE2 4.23Å; L112-F140 HydrophobicContact CD1-CG 3.65Å; L112-F140 HydrophobicContact CD1-CZ 3.92Å; F120-F140 HydrophobicContact CE2-CE2 4.27Å; F120-F140 AromaticContact CE2-CZ 3.87Å; F120-F140 HydrophobicContact CE2-CZ 3.87Å; F120-F140 HydrophobicContact CZ-CE2 4.12Å; F120-F140 AromaticContact CZ-CZ 3.7Å; F120-F140 HydrophobicContact CZ-CZ 3.7Å; F140-H142 PolarHBondContact O-CD2 3.05Å; F140-H142 PolarHBondContact O-N 3Å; F140-H142 VanDerWaalsContact O-N 3.08Å; F140-H142 PolarHBondContact O-NE2 3.26Å
141K54.2Low55.9Low158 Ų158106.5 Ų106.569%0.68755%0.55SS**  trans-62.7111.4164.9-83.5-172175.9177.40108.8
142H51.1Low55.2Low71 Ų71108.9 Ų108.933%0.32956%0.555SS.*  trans-88.3127.9172.6-57.9-65.3000109.3Y107 F140Y107-H142 AromaticContact CD2-NE2 3.89Å; F140-H142 PolarHBondContact O-CD2 3.05Å; F140-H142 PolarHBondContact O-N 3Å; F140-H142 VanDerWaalsContact O-N 3.08Å; F140-H142 PolarHBondContact O-NE2 3.26Å
143K41.9Very low54.5Low212 Ų212116.6 Ų116.692%0.92259%0.591SS**  trans-88.3119.2159.7-78.8-172.4173.8-173.80106.5
144H44.9Very low53.5Low260 Ų260112.4 Ų112.4100%1.20457%0.568SS**  trans-61.70167.6-73.1-85.8000110.4

Retrieved 144 of 144 residues in 45 ms (Link to these results)

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