A0A087XLA4_POEFO Loading...

Sorting nexin-15

May be involved in several stages of intracellular trafficking. Overexpression of SNX15 disrupts the normal trafficking of proteins from the plasma membrane to recycling endosomes or the TGN.

AlphaFold DB , UniProt , Accession A0A087XLA4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 402 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
1M33.8Very low64.9Low239 Ų239120.4 Ų120.4100%1.17757%0.573SS**  01220-60.8-165-165.400108R3M1-R3 PolarHBondContact O-N 2.85Å
2S41.9Very low67.2Low122 Ų122119.3 Ų119.385%0.85357%0.565SS**  trans-70.1112.5-178.9-170.10000109.1K4S2-K4 PolarHBondContact O-N 3.3Å; S2-K4 VanDerWaalsContact O-N 3.13Å
3R48.7Very low69.4Low220 Ų220110.8 Ų110.883%0.8352%0.524SS*.  trans-69.2106.7171.7-71.8-177.5173.4-172-3.3106.7M1M1-R3 PolarHBondContact O-N 2.85Å
4K51.1Low71.2Confident190 Ų190105.4 Ų105.483%0.82650%0.504SS*.  trans-56.5135.8171.9-73.1-176.4178.7176.40108.1S2 K6S2-K4 PolarHBondContact O-N 3.3Å; S2-K4 VanDerWaalsContact O-N 3.13Å; K4-K6 PolarHBondContact O-N 2.69Å
5P55.8Low72.8Confident93 Ų9398.3 Ų98.360%0.60447%0.47SS*.  trans-66110.5-178.927.5-33.6000108.8D7 R38P5-D7 PolarHBondContact O-N 3.46Å; P5-R38 PolarHBondContact O-NH1 2.94Å; P5-R38 VanDerWaalsContact O-NH1 3.07Å
6K63.4Low74.1Confident120 Ų12095.3 Ų95.352%0.52246%0.46SS..PPolyproline II helixtrans-55127.7-177.5-146.7168.6-174.7-179.30109.3K4 R38 D260K4-K6 PolarHBondContact O-N 2.69Å; K6-R38 PolarHBondContact O-NH2 3.47Å; K6-D260 WeakPolarHBondContact CE-O 3.41Å; K6-D260 PolarHBondContact NZ-O 3.29Å
7D68.6Low75.1Confident64 Ų6493.6 Ų93.634%0.34245%0.454SS..PPolyproline II helixtrans-76.7135.7177.8-73.3-41.4000109.5P5 Y9 R38P5-D7 PolarHBondContact O-N 3.46Å; D7-Y9 HydrophobicContact CB-CD2 4.46Å; D7-Y9 HydrophobicContact CB-CE2 3.62Å; D7-R38 IonicContact OD1-CZ 3.51Å; D7-R38 IonicContact OD1-NE 3.92Å; D7-R38 IonicContact OD1-NH1 2.72Å; D7-R38 PolarHBondContact OD1-NH1 3.37Å
8E82.8Confident76Confident92 Ų9291.2 Ų91.243%0.4345%0.447SS..PPolyproline II helixtrans-102.8132.3178.8-157.4-178.4176.400107.9K37E8-K37 HydrophobicContact CB-CB 4.38Å; E8-K37 HydrophobicContact CB-CD 3.88Å; E8-K37 HydrophobicContact CB-CG 4.13Å; E8-K37 HydrophobicContact CG-CD 3.73Å; E8-K37 HydrophobicContact CG-CG 4.37Å; E8-K37 WeakPolarHBondContact O-CB 3.48Å; E8-K37 VanDerWaalsContact O-CG 3.29Å; E8-K37 WeakPolarHBondContact O-CG 3.25Å; E8-K37 PolarHBondContact O-N 3.03Å; E8-K37 WeakPolarHBondContact OE1-CE 3.46Å; E8-K37 IonicContact OE1-NZ 3.8Å; E8-K37 PolarHBondContact OE1-NZ 3.46Å; E8-K37 WeakPolarHBondContact OE2-CD 3.48Å; E8-K37 IonicContact OE2-NZ 3.47Å; E8-K37 PolarHBondContact OE2-NZ 3.31Å
9Y87.6Confident76.8Confident30 Ų3093.5 Ų93.512%0.11845%0.45CS..EExtended strand (participates in β ladder)trans-120.8140.4-175.4-64-89.3000110.9D7 F34 V35 L258D7-Y9 HydrophobicContact CB-CD2 4.46Å; D7-Y9 HydrophobicContact CB-CE2 3.62Å; Y9-F34 HydrophobicContact CD1-CB 4.08Å; Y9-F34 HydrophobicContact CG-CB 4.37Å; Y9-V35 CarbonylContact C-O 3.56Å; Y9-V35 VanDerWaalsContact CA-O 3.3Å; Y9-V35 WeakPolarHBondContact CA-O 3.31Å; Y9-L258 HydrophobicContact CE1-CD2 4.32Å; Y9-L258 HydrophobicContact CE2-CD2 4.48Å
10Y89.5Confident77.4Confident125 Ų12594.6 Ų94.649%0.4946%0.458SS..EExtended strand (participates in β ladder)trans-79.1131.3159.8-65.5-67.5000109F34 V35 K37Y10-F34 WeakPolarHBondContact O-CA 3.45Å; Y10-V35 PolarHBondContact N-O 3.11Å; Y10-V35 PolarHBondContact O-N 3.37Å; Y10-K37 HydrophobicContact CD2-CG 3.84Å; Y10-K37 HydrophobicContact CE1-CD 4.26Å; Y10-K37 HydrophobicContact CE1-CG 4.46Å; Y10-K37 HydrophobicContact CE2-CB 4.36Å; Y10-K37 HydrophobicContact CE2-CD 4.09Å; Y10-K37 HydrophobicContact CE2-CG 3.57Å; Y10-K37 HydrophobicContact CG-CG 4.41Å
11R90.9Very high77.9Confident29 Ų2992.7 Ų92.711%0.10945%0.449CS..EExtended strand (participates in β ladder)trans-107.9129.9-178.8-58.3-164.9-174.9102.4-19.2110.3F13 R33 F34 T108 Y114 N115R11-F13 HydrophobicContact CB-CE2 4.48Å; R11-R33 CarbonylContact C-O 3.6Å; R11-R33 WeakPolarHBondContact CA-O 3.25Å; R11-F34 HydrophobicContact CG-CD1 3.79Å; R11-F34 HydrophobicContact CG-CE1 3.87Å; R11-T108 HydrophobicContact CB-CG2 4.39Å; R11-Y114 VanDerWaalsContact NH2-CD2 3.26Å; R11-N115 PolarHBondContact NH2-OD1 3.09Å; R11-N115 VanDerWaalsContact NH2-OD1 3.14Å
12F92.8Very high80.3Confident108 Ų10890.8 Ų90.847%0.47444%0.437SS..EExtended strand (participates in β ladder)trans-126133.6176-56.4-90.5000108.7R33 V35F12-R33 HydrophobicContact CB-CB 4.24Å; F12-R33 PolarHBondContact N-O 3.42Å; F12-R33 PolarHBondContact O-N 2.95Å; F12-V35 HydrophobicContact CD2-CG2 4.04Å; F12-V35 HydrophobicContact CE2-CB 4.34Å; F12-V35 HydrophobicContact CE2-CG2 3.79Å
13F94.8Very high82.2Confident9 Ų992.7 Ų92.74%0.03943%0.43CS..EExtended strand (participates in β ladder)trans-115.7142174.7-61.9-73.1000109.2R11 T31 A32 L104 T108 L119 F123R11-F13 HydrophobicContact CB-CE2 4.48Å; F13-T31 WeakPolarHBondContact CA-O 3.41Å; F13-A32 HydrophobicContact CD1-CB 3.72Å; F13-A32 HydrophobicContact CE1-CB 3.54Å; F13-L104 HydrophobicContact CB-CB 3.67Å; F13-L104 HydrophobicContact CB-CD1 4.34Å; F13-L104 HydrophobicContact CD2-CB 4.08Å; F13-L104 VanDerWaalsContact CD2-O 3.28Å; F13-L104 WeakPolarHBondContact CD2-O 3.03Å; F13-L104 HydrophobicContact CG-CB 3.86Å; F13-T108 HydrophobicContact CD2-CG2 3.45Å; F13-T108 VanDerWaalsContact CD2-CG2 3.45Å; F13-T108 HydrophobicContact CE2-CG2 3.42Å; F13-T108 VanDerWaalsContact CE2-CG2 3.42Å; F13-L119 HydrophobicContact CZ-CD2 4.02Å; F13-F123 HydrophobicContact CD1-CE2 4.31Å; F13-F123 AromaticContact CD1-CZ 3.96Å; F13-F123 HydrophobicContact CD1-CZ 3.96Å; F13-F123 AromaticContact CE1-CE2 3.87Å; F13-F123 HydrophobicContact CE1-CE2 3.87Å; F13-F123 AromaticContact CE1-CZ 3.95Å; F13-F123 HydrophobicContact CE1-CZ 3.95Å
14S94.9Very high84Confident34 Ų3484 Ų8424%0.23841%0.409CS..EExtended strand (participates in β ladder)trans-140.6144.517157.10000109.8T31S14-T31 PolarHBondContact N-O 3.24Å; S14-T31 PolarHBondContact O-N 3.08Å
15V95.9Very high85.6Confident0 Ų078 Ų780%038%0.381CS..EExtended strand (participates in β ladder)trans-121.1112.5175.9-1740000107.1Y28 K29 V30 R97 A100 E101 L104V15-Y28 HydrophobicContact CG1-CD1 4.25Å; V15-Y28 HydrophobicContact CG1-CG 4.29Å; V15-K29 CarbonylContact C-O 3.47Å; V15-K29 WeakPolarHBondContact CA-O 3.24Å; V15-V30 HydrophobicContact CG1-CG2 4.4Å; V15-V30 HydrophobicContact CG2-CG1 4.29Å; V15-V30 HydrophobicContact CG2-CG2 4.41Å; V15-R97 HydrophobicContact CB-CG 4.11Å; V15-R97 HydrophobicContact CG1-CG 3.8Å; V15-R97 VanDerWaalsContact O-CD 3.24Å; V15-R97 WeakPolarHBondContact O-CD 3.47Å; V15-R97 VanDerWaalsContact O-CG 3.3Å; V15-R97 WeakPolarHBondContact O-CG 3.42Å; V15-R97 PolarHBondContact O-NH1 3Å; V15-A100 HydrophobicContact CG1-CB 4.41Å; V15-A100 HydrophobicContact CG2-CB 4.08Å; V15-E101 HydrophobicContact CB-CB 4.31Å; V15-E101 HydrophobicContact CG2-CB 4.13Å; V15-L104 HydrophobicContact CG2-CD1 3.8Å
16T93.5Very high87.3Confident50 Ų5074.1 Ų74.131%0.30736%0.356SS..EExtended strand (participates in β ladder)trans-136.8-180-169.955.60000111K29T16-K29 PolarHBondContact N-O 2.83Å; T16-K29 WeakPolarHBondContact O-CB 3.32Å; T16-K29 PolarHBondContact O-N 2.82Å
17D90.6Very high88.8Confident66 Ų6670.1 Ų70.135%0.35334%0.339SS..EExtended strand (participates in β ladder)trans47.163.1172.8-58.8-24.4000113.9R19 K29 W49D17-R19 PolarHBondContact O-N 3.31Å; D17-R19 IonicContact OD2-NH2 3.41Å; D17-K29 HydrophobicContact CB-CB 3.96Å; D17-K29 HydrophobicContact CB-CD 4.29Å; D17-K29 WeakPolarHBondContact OD2-CD 3.42Å; D17-K29 IonicContact OD2-NZ 3.97Å; D17-W49 HydrophobicContact CB-CH2 3.88Å; D17-W49 HydrophobicContact CB-CZ3 4.29Å
18P91.8Very high90Very high51 Ų5167.2 Ų67.233%0.33132%0.324SS..EExtended strand (participates in β ladder)trans-62.1121.2171.626.7-31.7000109.4T26 E27 Y28 I93P18-T26 HydrophobicContact CB-CG2 4.37Å; P18-E27 WeakPolarHBondContact CA-O 3.44Å; P18-Y28 HydrophobicContact CB-CD1 4.24Å; P18-Y28 HydrophobicContact CB-CE1 4.23Å; P18-I93 HydrophobicContact CB-CG2 3.45Å; P18-I93 VanDerWaalsContact CB-CG2 3.45Å; P18-I93 HydrophobicContact CG-CG2 4.04Å
19R91.3Very high90.6Very high134 Ų13465.5 Ų65.551%0.50632%0.315SS..EExtended strand (participates in β ladder)trans-125.6139.6-178.7-67.1-177.1-170.2178.64.2110.9D17 T26 E27 W49D17-R19 PolarHBondContact O-N 3.31Å; D17-R19 IonicContact OD2-NH2 3.41Å; R19-T26 CarbonylContact O-C 3.57Å; R19-T26 WeakPolarHBondContact O-CA 3.34Å; R19-E27 PolarHBondContact N-O 3.04Å; R19-E27 PolarHBondContact O-N 2.86Å; R19-W49 HydrophobicContact CB-CZ3 4.35Å; R19-W49 VanDerWaalsContact CD-CZ3 3.5Å; R19-W49 HydrophobicContact CG-CH2 4.37Å; R19-W49 HydrophobicContact CG-CZ3 3.97Å
20N88.8Confident91.1Very high115 Ų11564 Ų6462%0.61531%0.309SS*.EExtended strand (participates in β ladder)trans-84.1118.2172-67.5-33.7000109T26N20-T26 PolarHBondContact OD1-OG1 2.82Å
21H86.9Confident91.4Very high55 Ų5558.3 Ų58.326%0.25529%0.287SS..EExtended strand (participates in β ladder)trans-79.5149.3177.5-163.583.8000110.5K23 G24 Y25 E27H21-K23 PolarHBondContact CD2-N 3.36Å; H21-K23 PolarHBondContact O-N 3.27Å; H21-G24 PolarHBondContact O-N 3.03Å; H21-Y25 HydrophobicContact CB-CD2 3.83Å; H21-Y25 HydrophobicContact CB-CE1 4.39Å; H21-Y25 HydrophobicContact CB-CE2 3.62Å; H21-Y25 HydrophobicContact CB-CG 4.29Å; H21-Y25 WeakPolarHBondContact CB-O 3.26Å; H21-Y25 AromaticContact CD2-CE1 3.7Å; H21-Y25 AromaticContact CD2-CE2 3.97Å; H21-Y25 AromaticContact CD2-CZ 3.31Å; H21-Y25 PolarHBondContact CD2-OH 3.43Å; H21-Y25 AromaticContact CG-CE2 3.73Å; H21-Y25 AromaticContact CG-CZ 3.57Å; H21-Y25 PolarHBondContact N-O 3.44Å; H21-Y25 AromaticContact NE2-CZ 3.94Å; H21-Y25 PolarHBondContact NE2-OH 3.25Å; H21-E27 HydrophobicContact CB-CG 4.29Å; H21-E27 IonicContact CE1-OE1 3.79Å; H21-E27 IonicContact CE1-OE2 3.28Å; H21-E27 IonicContact CG-OE1 3.61Å; H21-E27 IonicContact CG-OE2 3.39Å; H21-E27 VanDerWaalsContact ND1-CD 3.34Å; H21-E27 IonicContact ND1-OE1 2.85Å; H21-E27 PolarHBondContact ND1-OE1 3.37Å; H21-E27 IonicContact ND1-OE2 3.83Å; H21-E27 PolarHBondContact ND1-OE2 3.4Å
22E84.1Confident91.5Very high200 Ų20056.9 Ų56.994%0.93528%0.282SS*.THydrogen-bonded Turntrans-58.2-25.7-177.8-61.7-177.7169.100113.3G24E22-G24 PolarHBondContact O-N 3.41Å
23K82.8Confident91.6Very high161 Ų16156.9 Ų56.970%0.728%0.278SS*.THydrogen-bonded Turntrans-8412.3177.7-52.2169.4-176.5170.30113.6H21 Y25H21-K23 PolarHBondContact CD2-N 3.36Å; H21-K23 PolarHBondContact O-N 3.27Å; K23-Y25 HydrophobicContact CB-CD1 3.93Å; K23-Y25 HydrophobicContact CB-CE1 3.51Å; K23-Y25 HydrophobicContact CD-CE1 3.95Å; K23-Y25 HydrophobicContact CG-CE1 4.3Å
24G85.5Confident91.4Very high38 Ų3856.5 Ų56.539%0.39228%0.277SS..THydrogen-bonded Turntrans79.435.3170.400000115.2H21 E22 F88H21-G24 PolarHBondContact O-N 3.03Å; E22-G24 PolarHBondContact O-N 3.41Å; G24-F88 WeakPolarHBondContact O-CZ 3.22Å
25Y86.4Confident91.2Very high63 Ų6356 Ų5625%0.24727%0.272CS..EExtended strand (participates in β ladder)trans-138.7161.4173.259-101000111.4H21 K23 E27 R51H21-Y25 HydrophobicContact CB-CD2 3.83Å; H21-Y25 HydrophobicContact CB-CE1 4.39Å; H21-Y25 HydrophobicContact CB-CE2 3.62Å; H21-Y25 HydrophobicContact CB-CG 4.29Å; H21-Y25 WeakPolarHBondContact CB-O 3.26Å; H21-Y25 AromaticContact CD2-CE1 3.7Å; H21-Y25 AromaticContact CD2-CE2 3.97Å; H21-Y25 AromaticContact CD2-CZ 3.31Å; H21-Y25 PolarHBondContact CD2-OH 3.43Å; H21-Y25 AromaticContact CG-CE2 3.73Å; H21-Y25 AromaticContact CG-CZ 3.57Å; H21-Y25 PolarHBondContact N-O 3.44Å; H21-Y25 AromaticContact NE2-CZ 3.94Å; H21-Y25 PolarHBondContact NE2-OH 3.25Å; K23-Y25 HydrophobicContact CB-CD1 3.93Å; K23-Y25 HydrophobicContact CB-CE1 3.51Å; K23-Y25 HydrophobicContact CD-CE1 3.95Å; K23-Y25 HydrophobicContact CG-CE1 4.3Å; Y25-E27 HydrophobicContact CD2-CG 3.8Å; Y25-E27 HydrophobicContact CE2-CG 3.41Å; Y25-E27 VanDerWaalsContact CE2-CG 3.41Å; Y25-E27 WeakPolarHBondContact CE2-OE1 3.43Å; Y25-E27 PolarHBondContact OH-OE1 2.98Å; Y25-R51 HydrophobicContact CD2-CB 3.98Å; Y25-R51 HydrophobicContact CE2-CB 4.28Å
26T90.6Very high90.9Very high13 Ų1356.1 Ų56.18%0.0827%0.273CS..EExtended strand (participates in β ladder)trans-97.3126.1179.5-48.40000110.4P18 R19 N20 Y28 R51 I93P18-T26 HydrophobicContact CB-CG2 4.37Å; R19-T26 CarbonylContact O-C 3.57Å; R19-T26 WeakPolarHBondContact O-CA 3.34Å; N20-T26 PolarHBondContact OD1-OG1 2.82Å; T26-Y28 HydrophobicContact CG2-CE1 4.47Å; T26-Y28 HydrophobicContact CG2-CE2 4.27Å; T26-R51 WeakPolarHBondContact O-CA 3.18Å; T26-I93 HydrophobicContact CG2-CD1 4.3Å; T26-I93 HydrophobicContact CG2-CG1 4.47Å; T26-I93 HydrophobicContact CG2-CG2 4.34Å
27E94.3Very high90.6Very high36 Ų3657.6 Ų57.617%0.16828%0.275CS..EExtended strand (participates in β ladder)trans-103.4147172.4-66.9174.7150.300109.7P18 R19 H21 Y25 W49 K50P18-E27 WeakPolarHBondContact CA-O 3.44Å; R19-E27 PolarHBondContact N-O 3.04Å; R19-E27 PolarHBondContact O-N 2.86Å; H21-E27 HydrophobicContact CB-CG 4.29Å; H21-E27 IonicContact CE1-OE1 3.79Å; H21-E27 IonicContact CE1-OE2 3.28Å; H21-E27 IonicContact CG-OE1 3.61Å; H21-E27 IonicContact CG-OE2 3.39Å; H21-E27 VanDerWaalsContact ND1-CD 3.34Å; H21-E27 IonicContact ND1-OE1 2.85Å; H21-E27 PolarHBondContact ND1-OE1 3.37Å; H21-E27 IonicContact ND1-OE2 3.83Å; H21-E27 PolarHBondContact ND1-OE2 3.4Å; Y25-E27 HydrophobicContact CD2-CG 3.8Å; Y25-E27 HydrophobicContact CE2-CG 3.41Å; Y25-E27 VanDerWaalsContact CE2-CG 3.41Å; Y25-E27 WeakPolarHBondContact CE2-OE1 3.43Å; Y25-E27 PolarHBondContact OH-OE1 2.98Å; E27-W49 HydrophobicContact CB-CE3 4.39Å; E27-K50 CarbonylContact C-O 3.58Å; E27-K50 WeakPolarHBondContact CA-O 3.25Å
28Y94.9Very high90.3Very high3 Ų360.3 Ų60.31%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-118.9139.9177.4-55.3-94.8000108.1V15 P18 T26 V30 K50 F52 L55 I93 R97V15-Y28 HydrophobicContact CG1-CD1 4.25Å; V15-Y28 HydrophobicContact CG1-CG 4.29Å; P18-Y28 HydrophobicContact CB-CD1 4.24Å; P18-Y28 HydrophobicContact CB-CE1 4.23Å; T26-Y28 HydrophobicContact CG2-CE1 4.47Å; T26-Y28 HydrophobicContact CG2-CE2 4.27Å; Y28-V30 PolarHBondContact O-N 2.81Å; Y28-K50 PolarHBondContact N-O 3.35Å; Y28-K50 PolarHBondContact O-N 3.46Å; Y28-F52 HydrophobicContact CE2-CB 4.01Å; Y28-L55 HydrophobicContact CD2-CD1 4.04Å; Y28-I93 HydrophobicContact CE1-CG2 3.92Å; Y28-R97 HydrophobicContact CD1-CB 4.29Å; Y28-R97 HydrophobicContact CD1-CG 4.36Å; Y28-R97 HydrophobicContact CE1-CB 4.15Å
29K95.8Very high89.8Confident55 Ų5563.6 Ų63.624%0.23929%0.291CS..EExtended strand (participates in β ladder)trans-80.9110.6169.9-172.5-176.2178.7-172.80108.4V15 T16 D17 V47 W49V15-K29 CarbonylContact C-O 3.47Å; V15-K29 WeakPolarHBondContact CA-O 3.24Å; T16-K29 PolarHBondContact N-O 2.83Å; T16-K29 WeakPolarHBondContact O-CB 3.32Å; T16-K29 PolarHBondContact O-N 2.82Å; D17-K29 HydrophobicContact CB-CB 3.96Å; D17-K29 HydrophobicContact CB-CD 4.29Å; D17-K29 WeakPolarHBondContact OD2-CD 3.42Å; D17-K29 IonicContact OD2-NZ 3.97Å; K29-V47 HydrophobicContact CD-CG1 4.26Å; K29-V47 HydrophobicContact CG-CG1 3.7Å; K29-W49 HydrophobicContact CB-CD2 4.43Å; K29-W49 HydrophobicContact CB-CE3 4.19Å; K29-W49 HydrophobicContact CB-CH2 3.7Å; K29-W49 HydrophobicContact CB-CZ2 4.03Å; K29-W49 HydrophobicContact CB-CZ3 3.81Å; K29-W49 HydrophobicContact CD-CH2 4.12Å; K29-W49 HydrophobicContact CD-CZ2 3.95Å; K29-W49 HydrophobicContact CG-CH2 4.14Å; K29-W49 HydrophobicContact CG-CZ2 3.98Å
30V96.7Very high89.4Confident0 Ų061.4 Ų61.40%029%0.294CS..EExtended strand (participates in β ladder)trans-102.5121.9174.9-169.50000108.3V15 Y28 V48 K50 L55 L104 F122 F123V15-V30 HydrophobicContact CG1-CG2 4.4Å; V15-V30 HydrophobicContact CG2-CG1 4.29Å; V15-V30 HydrophobicContact CG2-CG2 4.41Å; Y28-V30 PolarHBondContact O-N 2.81Å; V30-V48 HydrophobicContact CB-CG2 3.87Å; V30-V48 PolarHBondContact N-O 2.88Å; V30-V48 PolarHBondContact O-N 3.44Å; V30-K50 HydrophobicContact CG2-CB 4.36Å; V30-L55 HydrophobicContact CG2-CD2 4.13Å; V30-L104 HydrophobicContact CG1-CD1 3.54Å; V30-F122 HydrophobicContact CB-CE1 4.23Å; V30-F122 HydrophobicContact CG1-CE1 4.05Å; V30-F122 HydrophobicContact CG2-CE1 4.26Å; V30-F122 HydrophobicContact CG2-CZ 4.19Å; V30-F123 HydrophobicContact CB-CE1 4.32Å; V30-F123 HydrophobicContact CG1-CE1 3.74Å; V30-F123 HydrophobicContact CG1-CZ 3.62Å
31T95.5Very high89.1Confident4 Ų462.1 Ų62.13%0.02530%0.298CS..EExtended strand (participates in β ladder)trans-119.4123-175.1-590000109.3F13 S14 R33 E45 V46 V47F13-T31 WeakPolarHBondContact CA-O 3.41Å; S14-T31 PolarHBondContact N-O 3.24Å; S14-T31 PolarHBondContact O-N 3.08Å; T31-R33 HydrophobicContact CG2-CG 3.98Å; T31-E45 VanDerWaalsContact CG2-CD 3.48Å; T31-E45 HydrophobicContact CG2-CG 3.45Å; T31-E45 VanDerWaalsContact CG2-CG 3.45Å; T31-E45 WeakPolarHBondContact CG2-OE1 3.41Å; T31-V46 WeakPolarHBondContact CA-O 3.34Å; T31-V47 HydrophobicContact CG2-CG2 4.16Å
32A94.6Very high89Confident0 Ų062 Ų620%030%0.299CS..EExtended strand (participates in β ladder)trans-106.5116.1171.900000109.6F13 F34 E45 V46 F123 F259F13-A32 HydrophobicContact CD1-CB 3.72Å; F13-A32 HydrophobicContact CE1-CB 3.54Å; A32-F34 HydrophobicContact CB-CE2 3.78Å; A32-F34 HydrophobicContact CB-CZ 4.16Å; A32-E45 CarbonylContact O-C 3.52Å; A32-E45 WeakPolarHBondContact O-CA 3.45Å; A32-V46 HydrophobicContact CB-CB 4.45Å; A32-V46 PolarHBondContact N-O 2.88Å; A32-V46 PolarHBondContact O-N 2.97Å; A32-F123 HydrophobicContact CB-CD1 4.05Å; A32-F123 HydrophobicContact CB-CE1 3.65Å; A32-F123 HydrophobicContact CB-CE2 4.33Å; A32-F123 HydrophobicContact CB-CZ 3.81Å; A32-F259 HydrophobicContact CB-CZ 4.48Å
33R93.5Very high89.2Confident108 Ų10852.9 Ų52.941%0.40826%0.258SS..EExtended strand (participates in β ladder)trans-108.5131.8178.9-68.9171.865.2176.50.3110.1R11 F12 T31 K44 E45R11-R33 CarbonylContact C-O 3.6Å; R11-R33 WeakPolarHBondContact CA-O 3.25Å; F12-R33 HydrophobicContact CB-CB 4.24Å; F12-R33 PolarHBondContact N-O 3.42Å; F12-R33 PolarHBondContact O-N 2.95Å; T31-R33 HydrophobicContact CG2-CG 3.98Å; R33-K44 CarbonylContact C-O 3.54Å; R33-K44 WeakPolarHBondContact CA-O 3.48Å; R33-E45 VanDerWaalsContact CD-OE1 3.28Å; R33-E45 WeakPolarHBondContact CD-OE1 3.33Å; R33-E45 HydrophobicContact CG-CB 4.18Å; R33-E45 HydrophobicContact CG-CG 3.77Å; R33-E45 VanDerWaalsContact CG-OE1 3.3Å; R33-E45 WeakPolarHBondContact CG-OE1 3.29Å; R33-E45 IonicContact NE-OE1 3.55Å
34F91.9Very high89.6Confident0 Ų046.5 Ų46.50%023%0.23CC..EExtended strand (participates in β ladder)trans-118.2117.4179.3-57.7-95.6000108Y9 Y10 R11 A32 V43 K44 V46 L258 F259Y9-F34 HydrophobicContact CD1-CB 4.08Å; Y9-F34 HydrophobicContact CG-CB 4.37Å; Y10-F34 WeakPolarHBondContact O-CA 3.45Å; R11-F34 HydrophobicContact CG-CD1 3.79Å; R11-F34 HydrophobicContact CG-CE1 3.87Å; A32-F34 HydrophobicContact CB-CE2 3.78Å; A32-F34 HydrophobicContact CB-CZ 4.16Å; F34-V43 WeakPolarHBondContact O-CA 3.22Å; F34-K44 HydrophobicContact CB-CB 4.44Å; F34-K44 PolarHBondContact N-O 2.85Å; F34-K44 PolarHBondContact O-N 3.42Å; F34-V46 HydrophobicContact CE2-CG2 4.08Å; F34-L258 HydrophobicContact CB-CD2 3.7Å; F34-L258 HydrophobicContact CD1-CB 4.05Å; F34-L258 HydrophobicContact CD1-CD2 4.07Å; F34-L258 HydrophobicContact CD2-CB 4.29Å; F34-L258 HydrophobicContact CD2-CD1 3.84Å; F34-L258 HydrophobicContact CD2-CD2 4.14Å; F34-L258 HydrophobicContact CD2-CG 4.32Å; F34-L258 HydrophobicContact CE1-CB 3.96Å; F34-L258 WeakPolarHBondContact CE1-O 3.24Å; F34-L258 HydrophobicContact CE2-CB 4.22Å; F34-L258 HydrophobicContact CE2-CD1 4.12Å; F34-L258 HydrophobicContact CG-CB 4.22Å; F34-L258 HydrophobicContact CG-CD1 4.3Å; F34-L258 HydrophobicContact CG-CD2 3.72Å; F34-L258 HydrophobicContact CG-CG 4.31Å; F34-L258 HydrophobicContact CZ-CB 4.07Å; F34-F259 HydrophobicContact CE2-CE2 4.05Å; F34-F259 HydrophobicContact CE2-CZ 4.07Å; F34-F259 HydrophobicContact CZ-CD1 4.3Å; F34-F259 HydrophobicContact CZ-CD2 4.1Å; F34-F259 AromaticContact CZ-CE1 3.84Å; F34-F259 HydrophobicContact CZ-CE1 3.84Å; F34-F259 AromaticContact CZ-CE2 3.6Å; F34-F259 HydrophobicContact CZ-CE2 3.6Å; F34-F259 HydrophobicContact CZ-CG 4.43Å; F34-F259 AromaticContact CZ-CZ 3.48Å; F34-F259 HydrophobicContact CZ-CZ 3.48Å; F34-F259 VanDerWaalsContact CZ-CZ 3.48Å
35V90.6Very high89.9Confident23 Ų2346.6 Ų46.614%0.13922%0.22CC..EExtended strand (participates in β ladder)trans-111.8119.5178.9-175.60000108Y9 Y10 F12 K37 V43Y9-V35 CarbonylContact C-O 3.56Å; Y9-V35 VanDerWaalsContact CA-O 3.3Å; Y9-V35 WeakPolarHBondContact CA-O 3.31Å; Y10-V35 PolarHBondContact N-O 3.11Å; Y10-V35 PolarHBondContact O-N 3.37Å; F12-V35 HydrophobicContact CD2-CG2 4.04Å; F12-V35 HydrophobicContact CE2-CB 4.34Å; F12-V35 HydrophobicContact CE2-CG2 3.79Å; V35-K37 PolarHBondContact O-N 3.46Å; V35-V43 HydrophobicContact CG1-CG2 4.22Å; V35-V43 HydrophobicContact CG2-CG1 4.32Å; V35-V43 HydrophobicContact CG2-CG2 4.08Å
36S88.7Confident90.2Very high4 Ų443.6 Ų43.63%0.02821%0.208CC..EExtended strand (participates in β ladder)trans-62.8134.9179.3176.10000111R38 H39 D42S36-R38 VanDerWaalsContact C-N 3.25Å; S36-R38 PolarHBondContact O-N 2.88Å; S36-R38 PolarHBondContact OG-N 2.89Å; S36-H39 WeakPolarHBondContact CB-O 3.33Å; S36-H39 CarbonylContact O-C 3.42Å; S36-H39 PolarHBondContact OG-N 3.05Å; S36-D42 PolarHBondContact N-O 3.31Å; S36-D42 VanDerWaalsContact N-O 3.15Å
37K86.7Confident90.4Very high81 Ų8143.9 Ų43.935%0.35221%0.21SC..SBendtrans-68.2-26.4175.8-67.9-161.9-173.2-178.60112.7E8 Y10 V35E8-K37 HydrophobicContact CB-CB 4.38Å; E8-K37 HydrophobicContact CB-CD 3.88Å; E8-K37 HydrophobicContact CB-CG 4.13Å; E8-K37 HydrophobicContact CG-CD 3.73Å; E8-K37 HydrophobicContact CG-CG 4.37Å; E8-K37 WeakPolarHBondContact O-CB 3.48Å; E8-K37 VanDerWaalsContact O-CG 3.29Å; E8-K37 WeakPolarHBondContact O-CG 3.25Å; E8-K37 PolarHBondContact O-N 3.03Å; E8-K37 WeakPolarHBondContact OE1-CE 3.46Å; E8-K37 IonicContact OE1-NZ 3.8Å; E8-K37 PolarHBondContact OE1-NZ 3.46Å; E8-K37 WeakPolarHBondContact OE2-CD 3.48Å; E8-K37 IonicContact OE2-NZ 3.47Å; E8-K37 PolarHBondContact OE2-NZ 3.31Å; Y10-K37 HydrophobicContact CD2-CG 3.84Å; Y10-K37 HydrophobicContact CE1-CD 4.26Å; Y10-K37 HydrophobicContact CE1-CG 4.46Å; Y10-K37 HydrophobicContact CE2-CB 4.36Å; Y10-K37 HydrophobicContact CE2-CD 4.09Å; Y10-K37 HydrophobicContact CE2-CG 3.57Å; Y10-K37 HydrophobicContact CG-CG 4.41Å; V35-K37 PolarHBondContact O-N 3.46Å
38R85.3Confident90.4Very high123 Ų12342.6 Ų42.646%0.46420%0.204SC..SBendtrans-84.4-36.8-179.6-65.6-178.7-177.7147.37.7111.9P5 K6 D7 S36P5-R38 PolarHBondContact O-NH1 2.94Å; P5-R38 VanDerWaalsContact O-NH1 3.07Å; K6-R38 PolarHBondContact O-NH2 3.47Å; D7-R38 IonicContact OD1-CZ 3.51Å; D7-R38 IonicContact OD1-NE 3.92Å; D7-R38 IonicContact OD1-NH1 2.72Å; D7-R38 PolarHBondContact OD1-NH1 3.37Å; S36-R38 VanDerWaalsContact C-N 3.25Å; S36-R38 PolarHBondContact O-N 2.88Å; S36-R38 PolarHBondContact OG-N 2.89Å
39H81.3Confident90.4Very high120 Ų12046.8 Ų46.856%0.55622%0.22SC*.  trans-133.296.1-176.8-60.9-64.2000109S36 D41 D42S36-H39 WeakPolarHBondContact CB-O 3.33Å; S36-H39 CarbonylContact O-C 3.42Å; S36-H39 PolarHBondContact OG-N 3.05Å; H39-D41 PolarHBondContact O-N 3.5Å; H39-D41 VanDerWaalsContact O-N 3.08Å; H39-D42 HydrophobicContact CB-CB 4.2Å; H39-D42 PolarHBondContact O-N 3.39Å
40P82.9Confident90.4Very high87 Ų8745.9 Ų45.957%0.56522%0.216SC*.THydrogen-bonded Turntrans-63.7-16.4-179.126.8-34.7000113.1D42 V43P40-D42 VanDerWaalsContact C-N 3.33Å; P40-V43 WeakPolarHBondContact O-CG2 3.29Å
41D82.8Confident90.3Very high130 Ų13051.7 Ų51.770%0.69524%0.238SC*.THydrogen-bonded Turntrans-77.8-15.9174.2-54.3-37.1000113H39 V43 L132H39-D41 PolarHBondContact O-N 3.5Å; H39-D41 VanDerWaalsContact O-N 3.08Å; D41-V43 PolarHBondContact O-N 2.97Å; D41-V43 VanDerWaalsContact O-N 3.16Å; D41-L132 WeakPolarHBondContact O-CD1 3.31Å
42D84.6Confident90.1Very high52 Ų5252.6 Ų52.628%0.27824%0.242SC..  trans-87.781.5173.4-17216.4000109.4S36 H39 P40 K44S36-D42 PolarHBondContact N-O 3.31Å; S36-D42 VanDerWaalsContact N-O 3.15Å; H39-D42 HydrophobicContact CB-CB 4.2Å; H39-D42 PolarHBondContact O-N 3.39Å; P40-D42 VanDerWaalsContact C-N 3.33Å; D42-K44 VanDerWaalsContact OD1-CE 3.28Å; D42-K44 WeakPolarHBondContact OD1-CE 3.44Å
43V88.7Confident89.9Confident10 Ų1055 Ų556%0.06126%0.259CS..EExtended strand (participates in β ladder)trans-102120176-177.90000109.2F34 V35 P40 D41 P131 L132F34-V43 WeakPolarHBondContact O-CA 3.22Å; V35-V43 HydrophobicContact CG1-CG2 4.22Å; V35-V43 HydrophobicContact CG2-CG1 4.32Å; V35-V43 HydrophobicContact CG2-CG2 4.08Å; P40-V43 WeakPolarHBondContact O-CG2 3.29Å; D41-V43 PolarHBondContact O-N 2.97Å; D41-V43 VanDerWaalsContact O-N 3.16Å; V43-P131 HydrophobicContact CG1-CG 4.43Å; V43-P131 WeakPolarHBondContact O-CD 3.3Å; V43-L132 HydrophobicContact CB-CD1 4.02Å; V43-L132 HydrophobicContact CB-CG 4.39Å; V43-L132 HydrophobicContact CG2-CD1 3.55Å; V43-L132 HydrophobicContact CG2-CG 4.36Å
44K90.1Very high90Very high26 Ų2652.8 Ų52.811%0.11325%0.253CS..EExtended strand (participates in β ladder)trans-111133.7174.6-59.2-179.5-175.7-168.10108.9R33 F34 D42 E254 L258R33-K44 CarbonylContact C-O 3.54Å; R33-K44 WeakPolarHBondContact CA-O 3.48Å; F34-K44 HydrophobicContact CB-CB 4.44Å; F34-K44 PolarHBondContact N-O 2.85Å; F34-K44 PolarHBondContact O-N 3.42Å; D42-K44 VanDerWaalsContact OD1-CE 3.28Å; D42-K44 WeakPolarHBondContact OD1-CE 3.44Å; K44-E254 HydrophobicContact CD-CG 4.47Å; K44-E254 WeakPolarHBondContact CD-OE1 3.32Å; K44-E254 WeakPolarHBondContact CE-OE1 3.31Å; K44-E254 IonicContact NZ-OE1 3.34Å; K44-E254 PolarHBondContact NZ-OE1 3.48Å; K44-L258 HydrophobicContact CB-CD1 4.15Å; K44-L258 HydrophobicContact CB-CD2 4.29Å; K44-L258 HydrophobicContact CD-CD1 4.42Å; K44-L258 HydrophobicContact CD-CD2 3.91Å
45E92.5Very high90.1Very high40 Ų4052.9 Ų52.919%0.18725%0.254CS..EExtended strand (participates in β ladder)trans-126.3129.5-176.3-175.7171.6-11300109.5T31 A32 R33 V47 V128 S129 P131T31-E45 VanDerWaalsContact CG2-CD 3.48Å; T31-E45 HydrophobicContact CG2-CG 3.45Å; T31-E45 VanDerWaalsContact CG2-CG 3.45Å; T31-E45 WeakPolarHBondContact CG2-OE1 3.41Å; A32-E45 CarbonylContact O-C 3.52Å; A32-E45 WeakPolarHBondContact O-CA 3.45Å; R33-E45 VanDerWaalsContact CD-OE1 3.28Å; R33-E45 WeakPolarHBondContact CD-OE1 3.33Å; R33-E45 HydrophobicContact CG-CB 4.18Å; R33-E45 HydrophobicContact CG-CG 3.77Å; R33-E45 VanDerWaalsContact CG-OE1 3.3Å; R33-E45 WeakPolarHBondContact CG-OE1 3.29Å; R33-E45 IonicContact NE-OE1 3.55Å; E45-V47 HydrophobicContact CG-CG2 4Å; E45-V128 CarbonylContact O-C 3.57Å; E45-V128 WeakPolarHBondContact O-CA 3.45Å; E45-S129 PolarHBondContact N-O 3.49Å; E45-S129 PolarHBondContact O-N 2.9Å; E45-P131 HydrophobicContact CB-CG 3.67Å; E45-P131 HydrophobicContact CG-CG 4.45Å
46V92.7Very high90.2Very high0 Ų055.9 Ų55.90%027%0.265CS..EExtended strand (participates in β ladder)trans-112.9120.9173.4-172.30000108.1T31 A32 F34 F123 E127 V128 F255 L258T31-V46 WeakPolarHBondContact CA-O 3.34Å; A32-V46 HydrophobicContact CB-CB 4.45Å; A32-V46 PolarHBondContact N-O 2.88Å; A32-V46 PolarHBondContact O-N 2.97Å; F34-V46 HydrophobicContact CE2-CG2 4.08Å; V46-F123 HydrophobicContact CG1-CB 4.35Å; V46-F123 HydrophobicContact CG1-CD1 4.36Å; V46-E127 WeakPolarHBondContact CA-O 3.05Å; V46-V128 HydrophobicContact CG2-CG2 4.16Å; V46-F255 HydrophobicContact CG1-CD2 4.29Å; V46-F255 HydrophobicContact CG1-CE2 4.12Å; V46-F255 HydrophobicContact CG2-CD2 4.26Å; V46-L258 HydrophobicContact CG2-CD1 4.18Å
47V94Very high90.5Very high19 Ų1959.5 Ų59.512%0.11528%0.28CS..EExtended strand (participates in β ladder)trans-111.6129.8179.9-176.10000110K29 T31 E45 G126 E127K29-V47 HydrophobicContact CD-CG1 4.26Å; K29-V47 HydrophobicContact CG-CG1 3.7Å; T31-V47 HydrophobicContact CG2-CG2 4.16Å; E45-V47 HydrophobicContact CG-CG2 4Å; V47-G126 WeakPolarHBondContact O-CA 3.31Å; V47-E127 PolarHBondContact N-O 2.89Å; V47-E127 PolarHBondContact O-N 2.96Å
48V95.3Very high90.9Very high9 Ų955.8 Ų55.86%0.05526%0.264CS..EExtended strand (participates in β ladder)trans-130.1144.2171.9-66.20000111.2V30 K50 F122 F123V30-V48 HydrophobicContact CB-CG2 3.87Å; V30-V48 PolarHBondContact N-O 2.88Å; V30-V48 PolarHBondContact O-N 3.44Å; V48-K50 HydrophobicContact CB-CG 4.19Å; V48-K50 HydrophobicContact CG2-CG 3.8Å; V48-F122 HydrophobicContact CG2-CE1 4.05Å; V48-F123 HydrophobicContact CG1-CD1 4.21Å; V48-F123 HydrophobicContact CG2-CD1 3.67Å; V48-F123 HydrophobicContact CG2-CE1 3.82Å
49W94.7Very high91.4Very high91 Ų9151.4 Ų51.435%0.34525%0.249SC..EExtended strand (participates in β ladder)trans-99121171-68.588000108.9D17 R19 E27 K29D17-W49 HydrophobicContact CB-CH2 3.88Å; D17-W49 HydrophobicContact CB-CZ3 4.29Å; R19-W49 HydrophobicContact CB-CZ3 4.35Å; R19-W49 VanDerWaalsContact CD-CZ3 3.5Å; R19-W49 HydrophobicContact CG-CH2 4.37Å; R19-W49 HydrophobicContact CG-CZ3 3.97Å; E27-W49 HydrophobicContact CB-CE3 4.39Å; K29-W49 HydrophobicContact CB-CD2 4.43Å; K29-W49 HydrophobicContact CB-CE3 4.19Å; K29-W49 HydrophobicContact CB-CH2 3.7Å; K29-W49 HydrophobicContact CB-CZ2 4.03Å; K29-W49 HydrophobicContact CB-CZ3 3.81Å; K29-W49 HydrophobicContact CD-CH2 4.12Å; K29-W49 HydrophobicContact CD-CZ2 3.95Å; K29-W49 HydrophobicContact CG-CH2 4.14Å; K29-W49 HydrophobicContact CG-CZ2 3.98Å
50K95Very high92Very high37 Ų3747.6 Ų47.616%0.16124%0.242CC..EExtended strand (participates in β ladder)trans-136.7140.4-171.4-66.8-67.9-173.1-174.30111.8E27 Y28 V30 V48 E54 L55 F122E27-K50 CarbonylContact C-O 3.58Å; E27-K50 WeakPolarHBondContact CA-O 3.25Å; Y28-K50 PolarHBondContact N-O 3.35Å; Y28-K50 PolarHBondContact O-N 3.46Å; V30-K50 HydrophobicContact CG2-CB 4.36Å; V48-K50 HydrophobicContact CB-CG 4.19Å; V48-K50 HydrophobicContact CG2-CG 3.8Å; K50-E54 WeakPolarHBondContact CA-OE2 3.43Å; K50-E54 HydrophobicContact CD-CB 4.41Å; K50-E54 VanDerWaalsContact CD-CD 3.45Å; K50-E54 VanDerWaalsContact CD-OE1 3.26Å; K50-E54 WeakPolarHBondContact CD-OE1 3.16Å; K50-E54 VanDerWaalsContact CD-OE2 3.31Å; K50-E54 WeakPolarHBondContact CD-OE2 3.12Å; K50-E54 IonicContact NZ-OE1 3.39Å; K50-E54 PolarHBondContact NZ-OE1 3.46Å; K50-L55 HydrophobicContact CB-CD1 3.91Å; K50-F122 HydrophobicContact CB-CE2 4.26Å; K50-F122 HydrophobicContact CB-CZ 3.9Å; K50-F122 HydrophobicContact CD-CE2 4.16Å; K50-F122 HydrophobicContact CD-CZ 4.27Å; K50-F122 WeakPolarHBondContact CE-O 3.49Å; K50-F122 HydrophobicContact CG-CE1 4.07Å; K50-F122 HydrophobicContact CG-CE2 3.91Å; K50-F122 HydrophobicContact CG-CZ 3.54Å
51R94.1Very high92.5Very high121 Ų12146.3 Ų46.346%0.45723%0.229SC..EExtended strand (participates in β ladder)trans-85.8155.6176.459.4174.5-176.3158.69.7111.7Y25 T26 S53 E54 L55Y25-R51 HydrophobicContact CD2-CB 3.98Å; Y25-R51 HydrophobicContact CE2-CB 4.28Å; T26-R51 WeakPolarHBondContact O-CA 3.18Å; R51-S53 VanDerWaalsContact CD-OG 3.25Å; R51-S53 WeakPolarHBondContact CD-OG 3.4Å; R51-S53 WeakPolarHBondContact CG-OG 3.29Å; R51-S53 VanDerWaalsContact CZ-OG 3.23Å; R51-S53 PolarHBondContact NE-OG 3.06Å; R51-S53 PolarHBondContact O-N 3.45Å; R51-E54 HydrophobicContact CG-CB 4.45Å; R51-E54 HydrophobicContact CG-CG 3.83Å; R51-E54 WeakPolarHBondContact CG-OE2 3.5Å; R51-E54 PolarHBondContact N-OE2 3.05Å; R51-E54 WeakPolarHBondContact O-CB 3.16Å; R51-E54 PolarHBondContact O-N 3.28Å; R51-L55 VanDerWaalsContact O-CD1 3.28Å; R51-L55 WeakPolarHBondContact O-CD1 3.45Å; R51-L55 PolarHBondContact O-N 2.76Å
52F91.4Very high93Very high23 Ų2340.1 Ų40.110%0.10120%0.195CC..Hα-helixtrans-48.8-40.1-178.1178.7-110.5000114.5Y28 E54 L55 K56 F79 R96Y28-F52 HydrophobicContact CE2-CB 4.01Å; F52-E54 VanDerWaalsContact C-N 3.28Å; F52-E54 PolarHBondContact O-N 3.38Å; F52-L55 PolarHBondContact O-N 3.49Å; F52-K56 HydrophobicContact CE1-CD 4.26Å; F52-K56 WeakPolarHBondContact O-CB 3.29Å; F52-K56 PolarHBondContact O-N 2.99Å; F52-F79 HydrophobicContact CD2-CE1 4.06Å; F52-F79 HydrophobicContact CD2-CZ 4.32Å; F52-F79 HydrophobicContact CE2-CD1 4.09Å; F52-F79 AromaticContact CE2-CE1 3.22Å; F52-F79 HydrophobicContact CE2-CE1 3.22Å; F52-F79 AromaticContact CE2-CZ 3.75Å; F52-F79 HydrophobicContact CE2-CZ 3.75Å; F52-F79 HydrophobicContact CZ-CD1 4.08Å; F52-F79 AromaticContact CZ-CE1 3.57Å; F52-F79 HydrophobicContact CZ-CE1 3.57Å; F52-R96 HydrophobicContact CD2-CB 3.75Å; F52-R96 HydrophobicContact CD2-CG 3.69Å; F52-R96 HydrophobicContact CE2-CB 3.68Å; F52-R96 HydrophobicContact CE2-CG 3.33Å; F52-R96 HydrophobicContact CZ-CG 3.9Å
53S92.1Very high93.4Very high52 Ų5239.4 Ų39.436%0.36419%0.194SC..Hα-helixtrans-64.4-30.4179.757.50000113.5R51 K57R51-S53 VanDerWaalsContact CD-OG 3.25Å; R51-S53 WeakPolarHBondContact CD-OG 3.4Å; R51-S53 WeakPolarHBondContact CG-OG 3.29Å; R51-S53 VanDerWaalsContact CZ-OG 3.23Å; R51-S53 PolarHBondContact NE-OG 3.06Å; R51-S53 PolarHBondContact O-N 3.45Å; S53-K57 WeakPolarHBondContact O-CB 3.48Å; S53-K57 PolarHBondContact O-N 2.92Å
54E93.8Very high93.5Very high60 Ų6046.2 Ų46.228%0.2822%0.22SC..Hα-helixtrans-72.3-42.1174.5-67.6176.7100.200111K50 R51 F52 K56 K57 L58 F122K50-E54 WeakPolarHBondContact CA-OE2 3.43Å; K50-E54 HydrophobicContact CD-CB 4.41Å; K50-E54 VanDerWaalsContact CD-CD 3.45Å; K50-E54 VanDerWaalsContact CD-OE1 3.26Å; K50-E54 WeakPolarHBondContact CD-OE1 3.16Å; K50-E54 VanDerWaalsContact CD-OE2 3.31Å; K50-E54 WeakPolarHBondContact CD-OE2 3.12Å; K50-E54 IonicContact NZ-OE1 3.39Å; K50-E54 PolarHBondContact NZ-OE1 3.46Å; R51-E54 HydrophobicContact CG-CB 4.45Å; R51-E54 HydrophobicContact CG-CG 3.83Å; R51-E54 WeakPolarHBondContact CG-OE2 3.5Å; R51-E54 PolarHBondContact N-OE2 3.05Å; R51-E54 WeakPolarHBondContact O-CB 3.16Å; R51-E54 PolarHBondContact O-N 3.28Å; F52-E54 VanDerWaalsContact C-N 3.28Å; F52-E54 PolarHBondContact O-N 3.38Å; E54-K56 VanDerWaalsContact C-N 3.32Å; E54-K56 PolarHBondContact O-N 3.38Å; E54-K57 WeakPolarHBondContact O-CB 3.47Å; E54-K57 PolarHBondContact O-N 3.34Å; E54-L58 PolarHBondContact O-N 2.98Å; E54-F122 HydrophobicContact CB-CE2 4.37Å
55L94.6Very high93.5Very high2 Ų246.4 Ų46.41%0.0122%0.224CC..Hα-helixtrans-62.7-41174.7-71105.8000111.6Y28 V30 K50 R51 F52 K57 L58 H59 F79 A100 F122Y28-L55 HydrophobicContact CD2-CD1 4.04Å; V30-L55 HydrophobicContact CG2-CD2 4.13Å; K50-L55 HydrophobicContact CB-CD1 3.91Å; R51-L55 VanDerWaalsContact O-CD1 3.28Å; R51-L55 WeakPolarHBondContact O-CD1 3.45Å; R51-L55 PolarHBondContact O-N 2.76Å; F52-L55 PolarHBondContact O-N 3.49Å; L55-K57 VanDerWaalsContact C-N 3.3Å; L55-K57 PolarHBondContact O-N 3.42Å; L55-L58 PolarHBondContact O-N 2.92Å; L55-H59 PolarHBondContact O-N 3.4Å; L55-F79 HydrophobicContact CB-CZ 3.96Å; L55-A100 HydrophobicContact CD2-CB 3.31Å; L55-F122 HydrophobicContact CD2-CZ 4.5Å; L55-F122 HydrophobicContact CG-CE2 4.31Å; L55-F122 HydrophobicContact CG-CZ 4.05Å
56K93.3Very high93.3Very high86 Ų8644.7 Ų44.737%0.37422%0.215SC..Hα-helixtrans-62.4-37.6174.2-171.1177.1179.4-175.10112.2F52 E54 H59 G60 F79F52-K56 HydrophobicContact CE1-CD 4.26Å; F52-K56 WeakPolarHBondContact O-CB 3.29Å; F52-K56 PolarHBondContact O-N 2.99Å; E54-K56 VanDerWaalsContact C-N 3.32Å; E54-K56 PolarHBondContact O-N 3.38Å; K56-H59 WeakPolarHBondContact O-CB 3.41Å; K56-H59 PolarHBondContact O-N 3Å; K56-G60 PolarHBondContact O-N 2.95Å; K56-F79 HydrophobicContact CB-CD1 4.17Å; K56-F79 HydrophobicContact CB-CE1 3.77Å; K56-F79 HydrophobicContact CG-CD1 4.09Å; K56-F79 HydrophobicContact CG-CE1 4.2Å
57K94.8Very high93.2Very high81 Ų8150.6 Ų50.635%0.35224%0.238SC..Hα-helixtrans-64.7-48.7175.6-174.7-167.8169.9-154.70110.8S53 E54 L55 H59 G60 E61S53-K57 WeakPolarHBondContact O-CB 3.48Å; S53-K57 PolarHBondContact O-N 2.92Å; E54-K57 WeakPolarHBondContact O-CB 3.47Å; E54-K57 PolarHBondContact O-N 3.34Å; L55-K57 VanDerWaalsContact C-N 3.3Å; L55-K57 PolarHBondContact O-N 3.42Å; K57-H59 VanDerWaalsContact C-N 3.26Å; K57-H59 PolarHBondContact O-N 3.07Å; K57-G60 PolarHBondContact O-N 3.47Å; K57-E61 WeakPolarHBondContact CE-OE1 3.27Å; K57-E61 IonicContact NZ-OE1 3.88Å; K57-E61 PolarHBondContact NZ-OE1 3.11Å; K57-E61 PolarHBondContact O-N 2.91Å; K57-E61 VanDerWaalsContact O-N 3.14Å
58L95.4Very high92.9Very high3 Ų354 Ų542%0.01626%0.255CS..Hα-helixtrans-57.6-40.7175.9177.366.1000111.3E54 L55 G60 E61 L62 M103 L104 Q118 L119 F122E54-L58 PolarHBondContact O-N 2.98Å; L55-L58 PolarHBondContact O-N 2.92Å; L58-G60 PolarHBondContact O-N 2.97Å; L58-E61 PolarHBondContact O-N 2.88Å; L58-L62 HydrophobicContact CD1-CD1 3.87Å; L58-L62 HydrophobicContact CD1-CD2 4.41Å; L58-L62 HydrophobicContact CD1-CG 3.87Å; L58-L62 HydrophobicContact CD2-CD1 4.2Å; L58-L62 HydrophobicContact CG-CD1 3.7Å; L58-L62 HydrophobicContact CG-CG 4.14Å; L58-L62 WeakPolarHBondContact O-CB 3.37Å; L58-L62 VanDerWaalsContact O-CG 3.32Å; L58-L62 WeakPolarHBondContact O-CG 3.39Å; L58-L62 PolarHBondContact O-N 3.43Å; L58-M103 HydrophobicContact CD2-CE 3.95Å; L58-M103 HydrophobicContact CG-CE 4.21Å; L58-L104 HydrophobicContact CD2-CD2 3.99Å; L58-Q118 HydrophobicContact CD1-CB 4.43Å; L58-L119 HydrophobicContact CD1-CD1 4.43Å; L58-L119 HydrophobicContact CD2-CD1 4.05Å; L58-F122 HydrophobicContact CB-CD2 4.01Å; L58-F122 HydrophobicContact CB-CE2 4.33Å; L58-F122 HydrophobicContact CD1-CB 4.15Å; L58-F122 HydrophobicContact CD2-CB 4.14Å; L58-F122 HydrophobicContact CD2-CD1 3.98Å; L58-F122 HydrophobicContact CD2-CD2 3.71Å; L58-F122 HydrophobicContact CD2-CE1 4.27Å; L58-F122 HydrophobicContact CD2-CE2 4.01Å; L58-F122 HydrophobicContact CD2-CG 3.68Å; L58-F122 HydrophobicContact CD2-CZ 4.26Å; L58-F122 HydrophobicContact CG-CD2 4.3Å; L58-F122 HydrophobicContact CG-CG 4.49Å
59H94.8Very high92.4Very high30 Ų3057.8 Ų57.814%0.13928%0.275CS..Hα-helixtrans-55.9-49.7174.9177.4-88.5000112.8L55 K56 K57 E61 L62 S63 F76 P77 F79 M103L55-H59 PolarHBondContact O-N 3.4Å; K56-H59 WeakPolarHBondContact O-CB 3.41Å; K56-H59 PolarHBondContact O-N 3Å; K57-H59 VanDerWaalsContact C-N 3.26Å; K57-H59 PolarHBondContact O-N 3.07Å; H59-E61 VanDerWaalsContact C-N 3.32Å; H59-E61 PolarHBondContact O-N 2.96Å; H59-L62 PolarHBondContact O-N 3.29Å; H59-S63 WeakPolarHBondContact O-CB 3.43Å; H59-S63 PolarHBondContact O-N 3.25Å; H59-F76 AromaticContact CD2-CD1 3.79Å; H59-F76 AromaticContact CD2-CE1 3.43Å; H59-F76 VanDerWaalsContact CD2-CE1 3.43Å; H59-F76 WeakPolarHBondContact CD2-CE1 3.46Å; H59-F76 AromaticContact NE2-CD1 3.41Å; H59-F76 WeakPolarHBondContact NE2-CD1 3.33Å; H59-F76 AromaticContact NE2-CE1 3.6Å; H59-P77 PolarHBondContact NE2-O 2.87Å; H59-F79 HydrophobicContact CB-CB 4.39Å; H59-F79 HydrophobicContact CB-CD1 4.46Å; H59-F79 HydrophobicContact CB-CD2 4.13Å; H59-F79 HydrophobicContact CB-CG 4.08Å; H59-F79 AromaticContact CD2-CD2 3.76Å; H59-F79 AromaticContact CD2-CG 3.88Å; H59-F79 AromaticContact CG-CG 3.81Å; H59-M103 WeakPolarHBondContact CA-SD 3.38Å; H59-M103 HydrophobicContact CB-CE 4.47Å; H59-M103 HydrophobicContact CB-SD 3.34Å; H59-M103 WeakPolarHBondContact CB-SD 3.46Å; H59-M103 PolarHBondContact CD2-SD 2.97Å
60G93.8Very high91.7Very high40 Ų4056.7 Ų56.741%0.41227%0.273SS..Hα-helixtrans-60.1-43.1178.400000112.4K56 K57 L58 Y64K56-G60 PolarHBondContact O-N 2.95Å; K57-G60 PolarHBondContact O-N 3.47Å; L58-G60 PolarHBondContact O-N 2.97Å; G60-Y64 VanDerWaalsContact O-CB 3.3Å; G60-Y64 WeakPolarHBondContact O-CB 3.39Å; G60-Y64 PolarHBondContact O-N 3.03Å
61E93.9Very high90.6Very high61 Ų6165 Ų6529%0.28530%0.303SS..Hα-helixtrans-64.4-46178.8-75.4178.5179.100112.8K57 L58 H59 T65 Q118K57-E61 WeakPolarHBondContact CE-OE1 3.27Å; K57-E61 IonicContact NZ-OE1 3.88Å; K57-E61 PolarHBondContact NZ-OE1 3.11Å; K57-E61 PolarHBondContact O-N 2.91Å; K57-E61 VanDerWaalsContact O-N 3.14Å; L58-E61 PolarHBondContact O-N 2.88Å; H59-E61 VanDerWaalsContact C-N 3.32Å; H59-E61 PolarHBondContact O-N 2.96Å; E61-T65 PolarHBondContact O-N 3.2Å; E61-T65 VanDerWaalsContact O-N 3.15Å; E61-T65 PolarHBondContact O-OG1 3.14Å; E61-Q118 HydrophobicContact CB-CB 4.17Å; E61-Q118 HydrophobicContact CB-CG 3.99Å; E61-Q118 HydrophobicContact CG-CG 4.39Å
62L93.3Very high89.4Confident0 Ų067.5 Ų67.50%031%0.312CS..Hα-helixtrans-68.8-43177.6-68.7174.2000111.7L58 H59 Y64 T65 H66 F76 M103 T107 L113L58-L62 HydrophobicContact CD1-CD1 3.87Å; L58-L62 HydrophobicContact CD1-CD2 4.41Å; L58-L62 HydrophobicContact CD1-CG 3.87Å; L58-L62 HydrophobicContact CD2-CD1 4.2Å; L58-L62 HydrophobicContact CG-CD1 3.7Å; L58-L62 HydrophobicContact CG-CG 4.14Å; L58-L62 WeakPolarHBondContact O-CB 3.37Å; L58-L62 VanDerWaalsContact O-CG 3.32Å; L58-L62 WeakPolarHBondContact O-CG 3.39Å; L58-L62 PolarHBondContact O-N 3.43Å; H59-L62 PolarHBondContact O-N 3.29Å; L62-Y64 VanDerWaalsContact C-N 3.29Å; L62-Y64 PolarHBondContact O-N 3.21Å; L62-T65 PolarHBondContact O-N 3.09Å; L62-H66 WeakPolarHBondContact O-CB 3.45Å; L62-H66 PolarHBondContact O-N 3.02Å; L62-F76 HydrophobicContact CB-CE1 4.17Å; L62-F76 HydrophobicContact CB-CE2 4.18Å; L62-F76 HydrophobicContact CB-CZ 3.56Å; L62-F76 HydrophobicContact CD1-CZ 4.26Å; L62-M103 HydrophobicContact CD1-CE 4.4Å; L62-M103 HydrophobicContact CD1-CG 4.36Å; L62-M103 HydrophobicContact CD1-SD 4.2Å; L62-T107 HydrophobicContact CD1-CG2 3.64Å; L62-T107 HydrophobicContact CD2-CG2 4.28Å; L62-L113 HydrophobicContact CD2-CB 4.5Å; L62-L113 HydrophobicContact CD2-CD2 4.29Å
63S92.5Very high88.3Confident36 Ų3674.3 Ų74.325%0.25234%0.344SS..Hα-helixtrans-62.2-38.2177.7-178.20000111.7H59 R67H59-S63 WeakPolarHBondContact O-CB 3.43Å; H59-S63 PolarHBondContact O-N 3.25Å; S63-R67 VanDerWaalsContact O-CB 3.24Å; S63-R67 WeakPolarHBondContact O-CB 3.45Å; S63-R67 PolarHBondContact O-N 2.97Å
64Y91.1Very high87.8Confident153 Ų15376.4 Ų76.460%0.635%0.349SS*.Hα-helixtrans-63.9-49.2175.7177.6-101.7000111.1G60 L62 H66 R67 N68G60-Y64 VanDerWaalsContact O-CB 3.3Å; G60-Y64 WeakPolarHBondContact O-CB 3.39Å; G60-Y64 PolarHBondContact O-N 3.03Å; L62-Y64 VanDerWaalsContact C-N 3.29Å; L62-Y64 PolarHBondContact O-N 3.21Å; Y64-H66 VanDerWaalsContact C-N 3.34Å; Y64-H66 PolarHBondContact O-N 3.22Å; Y64-R67 PolarHBondContact O-N 3.2Å; Y64-N68 VanDerWaalsContact CE1-ND2 3.31Å; Y64-N68 WeakPolarHBondContact CE1-ND2 3.27Å; Y64-N68 VanDerWaalsContact O-CG 3.3Å; Y64-N68 PolarHBondContact O-N 3.01Å; Y64-N68 PolarHBondContact O-OD1 3.36Å; Y64-N68 PolarHBondContact OH-ND2 3.46Å
65T89.9Confident87.2Confident31 Ų3181.8 Ų81.819%0.1937%0.373CS..Hα-helixtrans-58.8-46.5177.3-56.10000111.2E61 L62 N68 L69 L113E61-T65 PolarHBondContact O-N 3.2Å; E61-T65 VanDerWaalsContact O-N 3.15Å; E61-T65 PolarHBondContact O-OG1 3.14Å; L62-T65 PolarHBondContact O-N 3.09Å; T65-N68 PolarHBondContact O-N 3.32Å; T65-L69 HydrophobicContact CG2-CD1 3.92Å; T65-L69 WeakPolarHBondContact O-CG 3.47Å; T65-L69 PolarHBondContact O-N 3.27Å; T65-L69 VanDerWaalsContact O-N 3.1Å; T65-L113 HydrophobicContact CG2-CD2 3.78Å
66H89.9Confident87Confident3 Ų382.6 Ų82.61%0.01438%0.377CS..Hα-helixtrans-59.5-49.4177.3-177.7-104.7000112.3L62 Y64 N68 L69 F70 E74 F76 F106 I110 L113L62-H66 WeakPolarHBondContact O-CB 3.45Å; L62-H66 PolarHBondContact O-N 3.02Å; Y64-H66 VanDerWaalsContact C-N 3.34Å; Y64-H66 PolarHBondContact O-N 3.22Å; H66-N68 PolarHBondContact O-N 3.46Å; H66-L69 PolarHBondContact O-N 2.87Å; H66-L69 VanDerWaalsContact O-N 3.14Å; H66-F70 AromaticContact CD2-CD2 3.27Å; H66-F70 WeakPolarHBondContact CD2-CD2 3.36Å; H66-F70 AromaticContact CD2-CE2 3.58Å; H66-F70 AromaticContact NE2-CD2 3.38Å; H66-F70 WeakPolarHBondContact NE2-CD2 3.48Å; H66-F70 AromaticContact NE2-CE2 3.87Å; H66-F70 AromaticContact NE2-CG 3.89Å; H66-F70 WeakPolarHBondContact O-CD2 3.25Å; H66-F70 PolarHBondContact O-N 3.3Å; H66-E74 PolarHBondContact CE1-O 2.7Å; H66-F76 HydrophobicContact CB-CD2 3.96Å; H66-F76 AromaticContact CG-CD2 3.92Å; H66-F106 AromaticContact CD2-CE1 3.8Å; H66-F106 AromaticContact NE2-CE1 3.63Å; H66-F106 AromaticContact NE2-CZ 3.65Å; H66-I110 VanDerWaalsContact CD2-CD1 3.48Å; H66-I110 WeakPolarHBondContact CD2-CD1 3.36Å; H66-L113 HydrophobicContact CB-CD1 4.16Å; H66-L113 HydrophobicContact CB-CD2 4.32Å
67R89.4Confident86.9Confident125 Ų12579.6 Ų79.647%0.47237%0.367SS..Hα-helixtrans-58.1-37.6179.4-179.2177.3171.7118.8-18.5112S63 Y64 R71 R72S63-R67 VanDerWaalsContact O-CB 3.24Å; S63-R67 WeakPolarHBondContact O-CB 3.45Å; S63-R67 PolarHBondContact O-N 2.97Å; Y64-R67 PolarHBondContact O-N 3.2Å; R67-R71 PolarHBondContact O-N 3.11Å; R67-R72 HydrophobicContact CG-CG 4.14Å; R67-R72 VanDerWaalsContact CZ-CZ 3.49Å; R67-R72 VanDerWaalsContact CZ-NE 3.31Å
68N87.5Confident86.6Confident90 Ų9081.8 Ų81.848%0.48139%0.386SS..Hα-helixtrans-73-33.7179.8-716.9000112.5Y64 T65 H66Y64-N68 VanDerWaalsContact CE1-ND2 3.31Å; Y64-N68 WeakPolarHBondContact CE1-ND2 3.27Å; Y64-N68 VanDerWaalsContact O-CG 3.3Å; Y64-N68 PolarHBondContact O-N 3.01Å; Y64-N68 PolarHBondContact O-OD1 3.36Å; Y64-N68 PolarHBondContact OH-ND2 3.46Å; T65-N68 PolarHBondContact O-N 3.32Å; H66-N68 PolarHBondContact O-N 3.46Å
69L85.5Confident86.5Confident89 Ų8983.1 Ų83.147%0.46639%0.392SS..Hα-helixtrans-77-47.3178.6-70166.1000112.6T65 H66 A112T65-L69 HydrophobicContact CG2-CD1 3.92Å; T65-L69 WeakPolarHBondContact O-CG 3.47Å; T65-L69 PolarHBondContact O-N 3.27Å; T65-L69 VanDerWaalsContact O-N 3.1Å; H66-L69 PolarHBondContact O-N 2.87Å; H66-L69 VanDerWaalsContact O-N 3.14Å; L69-A112 HydrophobicContact CD1-CB 3.39Å
70F79.8Confident86.2Confident68 Ų6882.5 Ų82.530%0.29839%0.391SS..Hα-helixtrans-97.46.6-169.1-66.5-85000114.5H66 R72 Q73 I110H66-F70 AromaticContact CD2-CD2 3.27Å; H66-F70 WeakPolarHBondContact CD2-CD2 3.36Å; H66-F70 AromaticContact CD2-CE2 3.58Å; H66-F70 AromaticContact NE2-CD2 3.38Å; H66-F70 WeakPolarHBondContact NE2-CD2 3.48Å; H66-F70 AromaticContact NE2-CE2 3.87Å; H66-F70 AromaticContact NE2-CG 3.89Å; H66-F70 WeakPolarHBondContact O-CD2 3.25Å; H66-F70 PolarHBondContact O-N 3.3Å; F70-R72 PolarHBondContact O-N 3.01Å; F70-Q73 PolarHBondContact O-N 2.95Å; F70-Q73 PolarHBondContact O-NE2 3.41Å; F70-Q73 VanDerWaalsContact O-NE2 3.15Å; F70-I110 HydrophobicContact CE2-CD1 3.92Å; F70-I110 HydrophobicContact CE2-CG2 3.72Å; F70-I110 HydrophobicContact CZ-CD1 4.11Å; F70-I110 HydrophobicContact CZ-CG1 4.41Å; F70-I110 HydrophobicContact CZ-CG2 3.8Å
71R72.3Confident85.8Confident211 Ų21191.2 Ų91.280%0.79641%0.411SS*.THydrogen-bonded Turntrans45.636.8178.6-58.7-175.4-176.7172.71.5113.5R67R67-R71 PolarHBondContact O-N 3.11Å
72R67.6Low85.2Confident173 Ų17391.4 Ų91.465%0.65342%0.423SS*.THydrogen-bonded Turntrans66.724.2178.8-44.9-178.4-169.4174.47.3116.6R67 F70R67-R72 HydrophobicContact CG-CG 4.14Å; R67-R72 VanDerWaalsContact CZ-CZ 3.49Å; R67-R72 VanDerWaalsContact CZ-NE 3.31Å; F70-R72 PolarHBondContact O-N 3.01Å
73Q69.6Low84.6Confident166 Ų16696 Ų9678%0.77644%0.444SS*.SBendtrans-75.8-35174.1-73.5154.963.500112.8F70F70-Q73 PolarHBondContact O-N 2.95Å; F70-Q73 PolarHBondContact O-NE2 3.41Å; F70-Q73 VanDerWaalsContact O-NE2 3.15Å
74E81Confident83.6Confident97 Ų9799.5 Ų99.545%0.45346%0.464SS..SBendtrans-117.1138.6175.9-169.3168.2-167.100108.8H66 F106H66-E74 PolarHBondContact CE1-O 2.7Å; E74-F106 HydrophobicContact CG-CE2 4.42Å; E74-F106 HydrophobicContact CG-CZ 4.16Å; E74-F106 WeakPolarHBondContact OE1-CE2 3.3Å
75E81.8Confident82.6Confident172 Ų172100.4 Ų100.480%0.80447%0.472SS*.PPolyproline II helixtrans-90.9132.3177.2-72.7-171.616700110.1
76F89.4Confident82.1Confident19 Ų19100.2 Ų100.28%0.08348%0.475CS..PPolyproline II helixtrans-71.3145.3175.2-166-106.7000109.5H59 L62 H66 V78 M103 F106 L113H59-F76 AromaticContact CD2-CD1 3.79Å; H59-F76 AromaticContact CD2-CE1 3.43Å; H59-F76 VanDerWaalsContact CD2-CE1 3.43Å; H59-F76 WeakPolarHBondContact CD2-CE1 3.46Å; H59-F76 AromaticContact NE2-CD1 3.41Å; H59-F76 WeakPolarHBondContact NE2-CD1 3.33Å; H59-F76 AromaticContact NE2-CE1 3.6Å; L62-F76 HydrophobicContact CB-CE1 4.17Å; L62-F76 HydrophobicContact CB-CE2 4.18Å; L62-F76 HydrophobicContact CB-CZ 3.56Å; L62-F76 HydrophobicContact CD1-CZ 4.26Å; H66-F76 HydrophobicContact CB-CD2 3.96Å; H66-F76 AromaticContact CG-CD2 3.92Å; F76-V78 PolarHBondContact O-N 3.4Å; F76-M103 HydrophobicContact CE1-CG 3.56Å; F76-M103 HydrophobicContact CE1-SD 4.05Å; F76-M103 HydrophobicContact CZ-CG 3.48Å; F76-M103 VanDerWaalsContact CZ-CG 3.48Å; F76-M103 HydrophobicContact CZ-SD 4.28Å; F76-F106 AromaticContact CD2-CD1 3.57Å; F76-F106 HydrophobicContact CD2-CD1 3.57Å; F76-F106 AromaticContact CD2-CE1 3.54Å; F76-F106 HydrophobicContact CD2-CE1 3.54Å; F76-F106 AromaticContact CE2-CD1 3.53Å; F76-F106 HydrophobicContact CE2-CD1 3.53Å; F76-F106 AromaticContact CE2-CE1 3.93Å; F76-F106 HydrophobicContact CE2-CE1 3.93Å; F76-L113 HydrophobicContact CD2-CD1 4.5Å; F76-L113 HydrophobicContact CE2-CD1 3.93Å
77P90.9Very high81.5Confident24 Ų24105.5 Ų105.516%0.15650%0.495CS..PPolyproline II helixtrans-51.2132-178.8-28.735.2000112.2H59 F106H59-P77 PolarHBondContact NE2-O 2.87Å; P77-F106 HydrophobicContact CG-CB 3.61Å; P77-F106 HydrophobicContact CG-CD1 4.31Å; P77-F106 HydrophobicContact CG-CD2 3.93Å; P77-F106 HydrophobicContact CG-CG 3.69Å
78V89.6Confident81.3Confident127 Ų127103.8 Ų103.877%0.7749%0.491SS*.PPolyproline II helixtrans-67.1146.7178.8-650000110.8F76F76-V78 PolarHBondContact O-N 3.4Å
79F92.3Very high81.4Confident30 Ų30103.9 Ų103.913%0.13249%0.492CS..  trans-120.2135-178.9-152.4-103.1000111F52 L55 K56 H59 A99 A100F52-F79 HydrophobicContact CD2-CE1 4.06Å; F52-F79 HydrophobicContact CD2-CZ 4.32Å; F52-F79 HydrophobicContact CE2-CD1 4.09Å; F52-F79 AromaticContact CE2-CE1 3.22Å; F52-F79 HydrophobicContact CE2-CE1 3.22Å; F52-F79 AromaticContact CE2-CZ 3.75Å; F52-F79 HydrophobicContact CE2-CZ 3.75Å; F52-F79 HydrophobicContact CZ-CD1 4.08Å; F52-F79 AromaticContact CZ-CE1 3.57Å; F52-F79 HydrophobicContact CZ-CE1 3.57Å; L55-F79 HydrophobicContact CB-CZ 3.96Å; K56-F79 HydrophobicContact CB-CD1 4.17Å; K56-F79 HydrophobicContact CB-CE1 3.77Å; K56-F79 HydrophobicContact CG-CD1 4.09Å; K56-F79 HydrophobicContact CG-CE1 4.2Å; H59-F79 HydrophobicContact CB-CB 4.39Å; H59-F79 HydrophobicContact CB-CD1 4.46Å; H59-F79 HydrophobicContact CB-CD2 4.13Å; H59-F79 HydrophobicContact CB-CG 4.08Å; H59-F79 AromaticContact CD2-CD2 3.76Å; H59-F79 AromaticContact CD2-CG 3.88Å; H59-F79 AromaticContact CG-CG 3.81Å; F79-A99 HydrophobicContact CD2-CB 4.03Å; F79-A99 HydrophobicContact CE2-CB 4.19Å; F79-A100 HydrophobicContact CE2-CB 4.15Å; F79-A100 HydrophobicContact CZ-CB 4.43Å
80P90.3Very high81.6Confident17 Ų17105.9 Ų105.911%0.1150%0.499CS..PPolyproline II helixtrans-54.2143178.7-28.734.9000112.2E95 R96 A99P80-E95 HydrophobicContact CG-CG 3.94Å; P80-E95 WeakPolarHBondContact CG-OE1 3.42Å; P80-R96 HydrophobicContact CB-CG 4.19Å; P80-R96 HydrophobicContact CG-CG 4.39Å; P80-A99 HydrophobicContact CG-CB 3.73Å
81R84.2Confident82.1Confident223 Ų223106.3 Ų106.384%0.84252%0.515SS*.PPolyproline II helixtrans-71.3158176.7-64.1-179.776.3-168.43.2110Q83R81-Q83 PolarHBondContact O-N 3.06Å
82A82.5Confident83Confident65 Ų6597 Ų9754%0.53748%0.481SS..PPolyproline II helixtrans-72.1119174.300000108.1
83Q79.1Confident84.1Confident96 Ų9689 Ų8945%0.44945%0.452SS..  trans-105.8131.2179.2-157.2-179-18.500109.2R81 F85 R87R81-Q83 PolarHBondContact O-N 3.06Å; Q83-F85 WeakPolarHBondContact CG-O 3.22Å; Q83-F85 PolarHBondContact NE2-O 3Å; Q83-F85 VanDerWaalsContact NE2-O 3.09Å; Q83-R87 WeakPolarHBondContact O-CB 3.48Å
84V71.9Confident85.3Confident110 Ų11083.7 Ų83.767%0.66743%0.427SS*.SBendtrans-85.2-38.3-179.8-1780000111
85F70.9Confident85.9Confident173 Ų17384.1 Ų84.176%0.75943%0.429SS*.SBendtrans-94.1145.4176.3-62.2-78.2000111.1Q83 R87Q83-F85 WeakPolarHBondContact CG-O 3.22Å; Q83-F85 PolarHBondContact NE2-O 3Å; Q83-F85 VanDerWaalsContact NE2-O 3.09Å; F85-R87 PolarHBondContact O-N 3.3Å; F85-R87 VanDerWaalsContact O-N 3.14Å
86G78.1Confident86.4Confident26 Ų2676.7 Ų76.727%0.26839%0.393SS..SBendtrans64.617.2179.400000114.3F88 D89G86-F88 PolarHBondContact O-N 3.43Å; G86-D89 VanDerWaalsContact CA-CG 3.5Å; G86-D89 WeakPolarHBondContact CA-OD2 3.46Å; G86-D89 VanDerWaalsContact O-CB 3.27Å; G86-D89 WeakPolarHBondContact O-CB 3.36Å; G86-D89 VanDerWaalsContact O-CG 3.27Å; G86-D89 PolarHBondContact O-N 2.93Å
87R78.3Confident86.7Confident114 Ų11477.4 Ų77.443%0.4340%0.396SS..THydrogen-bonded Turntrans-64.8-13-17474.3-175.2-176.2-155.51.8114.6Q83 F85 R96Q83-R87 WeakPolarHBondContact O-CB 3.48Å; F85-R87 PolarHBondContact O-N 3.3Å; F85-R87 VanDerWaalsContact O-N 3.14Å; R87-R96 PolarHBondContact O-NH1 2.89Å
88F84.5Confident86.9Confident89 Ų8982.1 Ų82.139%0.3941%0.414SS..THydrogen-bonded Turntrans-107.93.5176.1-59-70.4000112.5G24 G86 E90 I93G24-F88 WeakPolarHBondContact O-CZ 3.22Å; G86-F88 PolarHBondContact O-N 3.43Å; F88-E90 PolarHBondContact O-N 3.24Å; F88-I93 WeakPolarHBondContact O-CD1 3.47Å
89D89.4Confident87.2Confident92 Ų9276.8 Ų76.849%0.49238%0.383SS..  trans-68.3133.2178.2-63.9-11.5000108.8G86 A91 V92 I93G86-D89 VanDerWaalsContact CA-CG 3.5Å; G86-D89 WeakPolarHBondContact CA-OD2 3.46Å; G86-D89 VanDerWaalsContact O-CB 3.27Å; G86-D89 WeakPolarHBondContact O-CB 3.36Å; G86-D89 VanDerWaalsContact O-CG 3.27Å; G86-D89 PolarHBondContact O-N 2.93Å; D89-A91 PolarHBondContact O-N 3.45Å; D89-V92 HydrophobicContact CB-CB 4.42Å; D89-V92 HydrophobicContact CB-CG2 4.14Å; D89-V92 WeakPolarHBondContact O-CB 3.32Å; D89-V92 PolarHBondContact O-N 2.66Å; D89-I93 WeakPolarHBondContact O-CG1 3.36Å; D89-I93 PolarHBondContact O-N 2.9Å
90E91.1Very high87.3Confident131 Ų13175.4 Ų75.461%0.61238%0.377SS*.Hα-helixtrans-54.8-39.7-176-171.260.6-146.500112.1F88 V92 I93 E94F88-E90 PolarHBondContact O-N 3.24Å; E90-V92 VanDerWaalsContact C-N 3.34Å; E90-V92 PolarHBondContact O-N 3.5Å; E90-I93 PolarHBondContact O-N 3.42Å; E90-E94 WeakPolarHBondContact O-CB 3.46Å; E90-E94 PolarHBondContact O-N 3.13Å
91A90Very high87.6Confident77 Ų7776.9 Ų76.964%0.63638%0.382SS*.Hα-helixtrans-61.1-41.617700000112.5D89 E95D89-A91 PolarHBondContact O-N 3.45Å; A91-E95 WeakPolarHBondContact O-CB 3.22Å; A91-E95 PolarHBondContact O-N 3.1Å
92V90.1Very high88.1Confident15 Ų1569.1 Ų69.19%0.09136%0.363CS..Hα-helixtrans-71.2-39.6179175.60000110.5D89 E90 R96D89-V92 HydrophobicContact CB-CB 4.42Å; D89-V92 HydrophobicContact CB-CG2 4.14Å; D89-V92 WeakPolarHBondContact O-CB 3.32Å; D89-V92 PolarHBondContact O-N 2.66Å; E90-V92 VanDerWaalsContact C-N 3.34Å; E90-V92 PolarHBondContact O-N 3.5Å; V92-R96 HydrophobicContact CG1-CG 4.5Å; V92-R96 VanDerWaalsContact CG1-CZ 3.48Å; V92-R96 WeakPolarHBondContact O-CB 3.48Å; V92-R96 WeakPolarHBondContact O-CD 3.17Å; V92-R96 WeakPolarHBondContact O-CG 3.35Å; V92-R96 PolarHBondContact O-N 2.63Å
93I91.3Very high88.7Confident5 Ų566 Ų663%0.02634%0.337CS..Hα-helixtrans-62.2-47.1176.3-67.3173.2000110.1P18 T26 Y28 F88 D89 E90 R96 R97P18-I93 HydrophobicContact CB-CG2 3.45Å; P18-I93 VanDerWaalsContact CB-CG2 3.45Å; P18-I93 HydrophobicContact CG-CG2 4.04Å; T26-I93 HydrophobicContact CG2-CD1 4.3Å; T26-I93 HydrophobicContact CG2-CG1 4.47Å; T26-I93 HydrophobicContact CG2-CG2 4.34Å; Y28-I93 HydrophobicContact CE1-CG2 3.92Å; F88-I93 WeakPolarHBondContact O-CD1 3.47Å; D89-I93 WeakPolarHBondContact O-CG1 3.36Å; D89-I93 PolarHBondContact O-N 2.9Å; E90-I93 PolarHBondContact O-N 3.42Å; I93-R96 PolarHBondContact O-N 3.27Å; I93-R97 WeakPolarHBondContact O-CB 3.49Å; I93-R97 PolarHBondContact O-N 2.99Å
94E94.1Very high89.5Confident56 Ų5661.5 Ų61.526%0.26232%0.316SS..Hα-helixtrans-68.2-37.5180-177.855.1-156.300112.3E90 R97 K98E90-E94 WeakPolarHBondContact O-CB 3.46Å; E90-E94 PolarHBondContact O-N 3.13Å; E94-R97 VanDerWaalsContact CD-NE 3.26Å; E94-R97 PolarHBondContact O-N 3.22Å; E94-R97 IonicContact OE1-CZ 3.32Å; E94-R97 VanDerWaalsContact OE1-CZ 3.31Å; E94-R97 IonicContact OE1-NE 2.86Å; E94-R97 PolarHBondContact OE1-NE 3.36Å; E94-R97 IonicContact OE1-NH2 2.88Å; E94-R97 PolarHBondContact OE1-NH2 3.48Å; E94-R97 WeakPolarHBondContact OE2-CD 3.46Å; E94-R97 IonicContact OE2-CZ 3.26Å; E94-R97 IonicContact OE2-NE 2.73Å; E94-R97 PolarHBondContact OE2-NE 3.3Å; E94-K98 HydrophobicContact CG-CD 4.41Å; E94-K98 WeakPolarHBondContact O-CB 3.25Å; E94-K98 WeakPolarHBondContact O-CG 3.42Å; E94-K98 PolarHBondContact O-N 3.45Å; E94-K98 WeakPolarHBondContact OE1-CE 3.4Å; E94-K98 WeakPolarHBondContact OE1-CG 3.42Å
95E93.4Very high90.6Very high105 Ų10559.9 Ų59.949%0.49130%0.303SS..Hα-helixtrans-58.9-48.6172.7-173.1-166.8157.100111.1P80 A91 R97 K98 A99P80-E95 HydrophobicContact CG-CG 3.94Å; P80-E95 WeakPolarHBondContact CG-OE1 3.42Å; A91-E95 WeakPolarHBondContact O-CB 3.22Å; A91-E95 PolarHBondContact O-N 3.1Å; E95-R97 VanDerWaalsContact C-N 3.32Å; E95-R97 PolarHBondContact O-N 3.37Å; E95-K98 PolarHBondContact O-N 3.25Å; E95-A99 WeakPolarHBondContact O-CB 3.15Å; E95-A99 PolarHBondContact O-N 3.35Å
96R93.6Very high91.6Very high16 Ų1653.2 Ų53.26%0.0627%0.274CS..Hα-helixtrans-62.7-39.6177.9-69.9172.1175.8172.46.1111.9F52 P80 R87 V92 I93 A100F52-R96 HydrophobicContact CD2-CB 3.75Å; F52-R96 HydrophobicContact CD2-CG 3.69Å; F52-R96 HydrophobicContact CE2-CB 3.68Å; F52-R96 HydrophobicContact CE2-CG 3.33Å; F52-R96 HydrophobicContact CZ-CG 3.9Å; P80-R96 HydrophobicContact CB-CG 4.19Å; P80-R96 HydrophobicContact CG-CG 4.39Å; R87-R96 PolarHBondContact O-NH1 2.89Å; V92-R96 HydrophobicContact CG1-CG 4.5Å; V92-R96 VanDerWaalsContact CG1-CZ 3.48Å; V92-R96 WeakPolarHBondContact O-CB 3.48Å; V92-R96 WeakPolarHBondContact O-CD 3.17Å; V92-R96 WeakPolarHBondContact O-CG 3.35Å; V92-R96 PolarHBondContact O-N 2.63Å; I93-R96 PolarHBondContact O-N 3.27Å; R96-A100 VanDerWaalsContact O-CB 3.32Å; R96-A100 WeakPolarHBondContact O-CB 3.39Å; R96-A100 PolarHBondContact O-N 3.47Å
97R95.1Very high92.2Very high35 Ų3552 Ų5213%0.13226%0.261CS..Hα-helixtrans-62-50.4175.6-168.9-152.168694.7111.1V15 Y28 I93 E94 E95 A99 A100 E101V15-R97 HydrophobicContact CB-CG 4.11Å; V15-R97 HydrophobicContact CG1-CG 3.8Å; V15-R97 VanDerWaalsContact O-CD 3.24Å; V15-R97 WeakPolarHBondContact O-CD 3.47Å; V15-R97 VanDerWaalsContact O-CG 3.3Å; V15-R97 WeakPolarHBondContact O-CG 3.42Å; V15-R97 PolarHBondContact O-NH1 3Å; Y28-R97 HydrophobicContact CD1-CB 4.29Å; Y28-R97 HydrophobicContact CD1-CG 4.36Å; Y28-R97 HydrophobicContact CE1-CB 4.15Å; I93-R97 WeakPolarHBondContact O-CB 3.49Å; I93-R97 PolarHBondContact O-N 2.99Å; E94-R97 VanDerWaalsContact CD-NE 3.26Å; E94-R97 PolarHBondContact O-N 3.22Å; E94-R97 IonicContact OE1-CZ 3.32Å; E94-R97 VanDerWaalsContact OE1-CZ 3.31Å; E94-R97 IonicContact OE1-NE 2.86Å; E94-R97 PolarHBondContact OE1-NE 3.36Å; E94-R97 IonicContact OE1-NH2 2.88Å; E94-R97 PolarHBondContact OE1-NH2 3.48Å; E94-R97 WeakPolarHBondContact OE2-CD 3.46Å; E94-R97 IonicContact OE2-CZ 3.26Å; E94-R97 IonicContact OE2-NE 2.73Å; E94-R97 PolarHBondContact OE2-NE 3.3Å; E95-R97 VanDerWaalsContact C-N 3.32Å; E95-R97 PolarHBondContact O-N 3.37Å; R97-A99 PolarHBondContact O-N 3.46Å; R97-A100 PolarHBondContact O-N 3.48Å; R97-E101 IonicContact CZ-OE2 3.31Å; R97-E101 IonicContact NH1-OE1 2.98Å; R97-E101 IonicContact NH1-OE2 3.9Å; R97-E101 PolarHBondContact NH1-OE2 2.97Å; R97-E101 IonicContact NH2-OE2 2.79Å; R97-E101 PolarHBondContact NH2-OE2 3.41Å; R97-E101 WeakPolarHBondContact O-CB 3.28Å; R97-E101 PolarHBondContact O-N 3.17Å
98K95.3Very high92.8Very high122 Ų12249 Ų4953%0.5326%0.255SS..Hα-helixtrans-60.2-44.3177.7-76179.1-178.4177.90112.2E94 E95 E101 S102E94-K98 HydrophobicContact CG-CD 4.41Å; E94-K98 WeakPolarHBondContact O-CB 3.25Å; E94-K98 WeakPolarHBondContact O-CG 3.42Å; E94-K98 PolarHBondContact O-N 3.45Å; E94-K98 WeakPolarHBondContact OE1-CE 3.4Å; E94-K98 WeakPolarHBondContact OE1-CG 3.42Å; E95-K98 PolarHBondContact O-N 3.25Å; K98-E101 PolarHBondContact O-N 2.7Å; K98-S102 WeakPolarHBondContact O-CB 3.33Å; K98-S102 PolarHBondContact O-N 2.93Å
99A95.4Very high93Very high15 Ų1548.5 Ų48.512%0.12426%0.263CS..Hα-helixtrans-64.5-41.4178.800000112.3F79 P80 E95 R97 S102 M103F79-A99 HydrophobicContact CD2-CB 4.03Å; F79-A99 HydrophobicContact CE2-CB 4.19Å; P80-A99 HydrophobicContact CG-CB 3.73Å; E95-A99 WeakPolarHBondContact O-CB 3.15Å; E95-A99 PolarHBondContact O-N 3.35Å; R97-A99 PolarHBondContact O-N 3.46Å; A99-S102 PolarHBondContact O-N 3.05Å; A99-M103 WeakPolarHBondContact O-CB 3.49Å; A99-M103 PolarHBondContact O-N 2.92Å
100A95.9Very high93Very high1 Ų144.6 Ų44.61%0.00824%0.242CC..Hα-helixtrans-61.1-45.8173.900000112.9V15 L55 F79 R96 R97 M103 L104V15-A100 HydrophobicContact CG1-CB 4.41Å; V15-A100 HydrophobicContact CG2-CB 4.08Å; L55-A100 HydrophobicContact CD2-CB 3.31Å; F79-A100 HydrophobicContact CE2-CB 4.15Å; F79-A100 HydrophobicContact CZ-CB 4.43Å; R96-A100 VanDerWaalsContact O-CB 3.32Å; R96-A100 WeakPolarHBondContact O-CB 3.39Å; R96-A100 PolarHBondContact O-N 3.47Å; R97-A100 PolarHBondContact O-N 3.48Å; A100-M103 PolarHBondContact O-N 2.96Å; A100-L104 WeakPolarHBondContact O-CG 3.49Å; A100-L104 PolarHBondContact O-N 3.02Å
101E95.7Very high92.8Very high48 Ų4841.5 Ų41.522%0.22423%0.233CC..Hα-helixtrans-62.4-47.8176.1-179167.3-125.200111.5V15 R97 K98 M103 L104 L105V15-E101 HydrophobicContact CB-CB 4.31Å; V15-E101 HydrophobicContact CG2-CB 4.13Å; R97-E101 IonicContact CZ-OE2 3.31Å; R97-E101 IonicContact NH1-OE1 2.98Å; R97-E101 IonicContact NH1-OE2 3.9Å; R97-E101 PolarHBondContact NH1-OE2 2.97Å; R97-E101 IonicContact NH2-OE2 2.79Å; R97-E101 PolarHBondContact NH2-OE2 3.41Å; R97-E101 WeakPolarHBondContact O-CB 3.28Å; R97-E101 PolarHBondContact O-N 3.17Å; K98-E101 PolarHBondContact O-N 2.7Å; E101-M103 VanDerWaalsContact C-N 3.3Å; E101-M103 PolarHBondContact O-N 3.17Å; E101-L104 PolarHBondContact O-N 3.28Å; E101-L105 HydrophobicContact CG-CD1 3.9Å; E101-L105 HydrophobicContact CG-CG 4.37Å; E101-L105 WeakPolarHBondContact O-CB 3.46Å; E101-L105 VanDerWaalsContact O-CG 3.29Å; E101-L105 WeakPolarHBondContact O-CG 3.44Å; E101-L105 PolarHBondContact O-N 3.02Å
102S95.5Very high92.7Very high61 Ų6140.2 Ų40.243%0.42722%0.223SC..Hα-helixtrans-58.2-41.7177.7-173.30000112.3K98 A99 F106K98-S102 WeakPolarHBondContact O-CB 3.33Å; K98-S102 PolarHBondContact O-N 2.93Å; A99-S102 PolarHBondContact O-N 3.05Å; S102-F106 WeakPolarHBondContact O-CB 3.33Å; S102-F106 PolarHBondContact O-N 2.96Å
103M95.3Very high92.6Very high0 Ų039.5 Ų39.50%022%0.218CC..Hα-helixtrans-63.2-48.5176.5176.2-168.77000111.7L58 H59 L62 F76 A99 A100 E101 L105 F106 T107L58-M103 HydrophobicContact CD2-CE 3.95Å; L58-M103 HydrophobicContact CG-CE 4.21Å; H59-M103 WeakPolarHBondContact CA-SD 3.38Å; H59-M103 HydrophobicContact CB-CE 4.47Å; H59-M103 HydrophobicContact CB-SD 3.34Å; H59-M103 WeakPolarHBondContact CB-SD 3.46Å; H59-M103 PolarHBondContact CD2-SD 2.97Å; L62-M103 HydrophobicContact CD1-CE 4.4Å; L62-M103 HydrophobicContact CD1-CG 4.36Å; L62-M103 HydrophobicContact CD1-SD 4.2Å; F76-M103 HydrophobicContact CE1-CG 3.56Å; F76-M103 HydrophobicContact CE1-SD 4.05Å; F76-M103 HydrophobicContact CZ-CG 3.48Å; F76-M103 VanDerWaalsContact CZ-CG 3.48Å; F76-M103 HydrophobicContact CZ-SD 4.28Å; A99-M103 WeakPolarHBondContact O-CB 3.49Å; A99-M103 PolarHBondContact O-N 2.92Å; A100-M103 PolarHBondContact O-N 2.96Å; E101-M103 VanDerWaalsContact C-N 3.3Å; E101-M103 PolarHBondContact O-N 3.17Å; M103-L105 VanDerWaalsContact C-N 3.35Å; M103-F106 WeakPolarHBondContact O-CB 3.47Å; M103-F106 PolarHBondContact O-N 3.43Å; M103-T107 PolarHBondContact O-N 3.25Å
104L95Very high92.5Very high0 Ų040.3 Ų40.30%022%0.221CC..Hα-helixtrans-64.8-41.3-179.2-70.1171000111.1F13 V15 V30 L58 A100 E101 F106 T107 L119F13-L104 HydrophobicContact CB-CB 3.67Å; F13-L104 HydrophobicContact CB-CD1 4.34Å; F13-L104 HydrophobicContact CD2-CB 4.08Å; F13-L104 VanDerWaalsContact CD2-O 3.28Å; F13-L104 WeakPolarHBondContact CD2-O 3.03Å; F13-L104 HydrophobicContact CG-CB 3.86Å; V15-L104 HydrophobicContact CG2-CD1 3.8Å; V30-L104 HydrophobicContact CG1-CD1 3.54Å; L58-L104 HydrophobicContact CD2-CD2 3.99Å; A100-L104 WeakPolarHBondContact O-CG 3.49Å; A100-L104 PolarHBondContact O-N 3.02Å; E101-L104 PolarHBondContact O-N 3.28Å; L104-F106 VanDerWaalsContact C-N 3.31Å; L104-F106 PolarHBondContact O-N 3.45Å; L104-T107 PolarHBondContact O-N 3.31Å; L104-T107 VanDerWaalsContact O-N 3.12Å; L104-T107 PolarHBondContact O-OG1 3.39Å; L104-L119 HydrophobicContact CD2-CD1 3.78Å
105L94.2Very high92.2Very high76 Ų7639.5 Ų39.540%0.39822%0.219SC..Hα-helixtrans-61-40.3174.3-71.2173.9000111.8E101 M103 T107 T108E101-L105 HydrophobicContact CG-CD1 3.9Å; E101-L105 HydrophobicContact CG-CG 4.37Å; E101-L105 WeakPolarHBondContact O-CB 3.46Å; E101-L105 VanDerWaalsContact O-CG 3.29Å; E101-L105 WeakPolarHBondContact O-CG 3.44Å; E101-L105 PolarHBondContact O-N 3.02Å; M103-L105 VanDerWaalsContact C-N 3.35Å; L105-T107 PolarHBondContact O-N 2.99Å; L105-T108 WeakPolarHBondContact O-CB 3.2Å; L105-T108 PolarHBondContact O-N 3.28Å; L105-T108 PolarHBondContact O-OG1 2.89Å
106F92.4Very high92.1Very high33 Ų3334.8 Ų34.815%0.14520%0.197CC..Hα-helixtrans-61.3-31.5175.7-173.9-91.1000112.6H66 E74 F76 P77 S102 M103 L104 T108 S109 I110 L113H66-F106 AromaticContact CD2-CE1 3.8Å; H66-F106 AromaticContact NE2-CE1 3.63Å; H66-F106 AromaticContact NE2-CZ 3.65Å; E74-F106 HydrophobicContact CG-CE2 4.42Å; E74-F106 HydrophobicContact CG-CZ 4.16Å; E74-F106 WeakPolarHBondContact OE1-CE2 3.3Å; F76-F106 AromaticContact CD2-CD1 3.57Å; F76-F106 HydrophobicContact CD2-CD1 3.57Å; F76-F106 AromaticContact CD2-CE1 3.54Å; F76-F106 HydrophobicContact CD2-CE1 3.54Å; F76-F106 AromaticContact CE2-CD1 3.53Å; F76-F106 HydrophobicContact CE2-CD1 3.53Å; F76-F106 AromaticContact CE2-CE1 3.93Å; F76-F106 HydrophobicContact CE2-CE1 3.93Å; P77-F106 HydrophobicContact CG-CB 3.61Å; P77-F106 HydrophobicContact CG-CD1 4.31Å; P77-F106 HydrophobicContact CG-CD2 3.93Å; P77-F106 HydrophobicContact CG-CG 3.69Å; S102-F106 WeakPolarHBondContact O-CB 3.33Å; S102-F106 PolarHBondContact O-N 2.96Å; M103-F106 WeakPolarHBondContact O-CB 3.47Å; M103-F106 PolarHBondContact O-N 3.43Å; L104-F106 VanDerWaalsContact C-N 3.31Å; L104-F106 PolarHBondContact O-N 3.45Å; F106-T108 PolarHBondContact O-N 3.42Å; F106-S109 PolarHBondContact O-N 3.24Å; F106-S109 PolarHBondContact O-OG 3.37Å; F106-I110 HydrophobicContact CD1-CD1 4.14Å; F106-I110 HydrophobicContact CE1-CD1 3.36Å; F106-I110 HydrophobicContact CZ-CD1 3.7Å; F106-L113 HydrophobicContact CD1-CD1 4.44Å; F106-L113 HydrophobicContact CE1-CD1 4.41Å
107T91.8Very high91.9Very high0 Ų037.6 Ų37.60%022%0.218CC..Hα-helixtrans-65-24.5174.8710000113.2L62 M103 L104 L105 S109 I110 L113L62-T107 HydrophobicContact CD1-CG2 3.64Å; L62-T107 HydrophobicContact CD2-CG2 4.28Å; M103-T107 PolarHBondContact O-N 3.25Å; L104-T107 PolarHBondContact O-N 3.31Å; L104-T107 VanDerWaalsContact O-N 3.12Å; L104-T107 PolarHBondContact O-OG1 3.39Å; L105-T107 PolarHBondContact O-N 2.99Å; T107-S109 VanDerWaalsContact C-N 3.31Å; T107-S109 PolarHBondContact O-N 3.42Å; T107-I110 PolarHBondContact O-N 3.46Å; T107-I110 VanDerWaalsContact O-O 3.06Å; T107-L113 HydrophobicContact CG2-CB 4.17Å; T107-L113 HydrophobicContact CG2-CD1 4.48Å
108T90.8Very high91.8Very high51 Ų5138.8 Ų38.831%0.31323%0.225SC..Hα-helixtrans-69.2-27.6-177.568.30000113.2R11 F13 L105 F106 I110R11-T108 HydrophobicContact CB-CG2 4.39Å; F13-T108 HydrophobicContact CD2-CG2 3.45Å; F13-T108 VanDerWaalsContact CD2-CG2 3.45Å; F13-T108 HydrophobicContact CE2-CG2 3.42Å; F13-T108 VanDerWaalsContact CE2-CG2 3.42Å; L105-T108 WeakPolarHBondContact O-CB 3.2Å; L105-T108 PolarHBondContact O-N 3.28Å; L105-T108 PolarHBondContact O-OG1 2.89Å; F106-T108 PolarHBondContact O-N 3.42Å; T108-I110 VanDerWaalsContact C-N 3.28Å
109S88.4Confident91.7Very high79 Ų7933 Ų3355%0.55220%0.2SC*.THydrogen-bonded Turntrans-79.3-13177.354.60000112.8F106 T107F106-S109 PolarHBondContact O-N 3.24Å; F106-S109 PolarHBondContact O-OG 3.37Å; T107-S109 VanDerWaalsContact C-N 3.31Å; T107-S109 PolarHBondContact O-N 3.42Å
110I89Confident91.6Very high10 Ų1033.5 Ų33.55%0.05120%0.199CC..  trans-122.6106.3-171.4-56.8-178.2000111.1H66 F70 F106 T107 T108 A112 L113 Y114H66-I110 VanDerWaalsContact CD2-CD1 3.48Å; H66-I110 WeakPolarHBondContact CD2-CD1 3.36Å; F70-I110 HydrophobicContact CE2-CD1 3.92Å; F70-I110 HydrophobicContact CE2-CG2 3.72Å; F70-I110 HydrophobicContact CZ-CD1 4.11Å; F70-I110 HydrophobicContact CZ-CG1 4.41Å; F70-I110 HydrophobicContact CZ-CG2 3.8Å; F106-I110 HydrophobicContact CD1-CD1 4.14Å; F106-I110 HydrophobicContact CE1-CD1 3.36Å; F106-I110 HydrophobicContact CZ-CD1 3.7Å; T107-I110 PolarHBondContact O-N 3.46Å; T107-I110 VanDerWaalsContact O-O 3.06Å; T108-I110 VanDerWaalsContact C-N 3.28Å; I110-A112 VanDerWaalsContact C-N 3.3Å; I110-A112 HydrophobicContact CG2-CB 4.43Å; I110-A112 PolarHBondContact O-N 2.89Å; I110-L113 HydrophobicContact CB-CB 4.29Å; I110-L113 HydrophobicContact CB-CD1 4.08Å; I110-L113 HydrophobicContact CB-CG 4.15Å; I110-L113 HydrophobicContact CD1-CD1 3.97Å; I110-L113 HydrophobicContact CG2-CB 4.26Å; I110-L113 HydrophobicContact CG2-CD1 4.11Å; I110-L113 HydrophobicContact CG2-CG 3.81Å; I110-L113 PolarHBondContact O-N 3.34Å; I110-Y114 WeakPolarHBondContact O-CD1 3.46Å; I110-Y114 PolarHBondContact O-N 3.19Å; I110-Y114 VanDerWaalsContact O-N 3.15Å
111P86.7Confident91.4Very high66 Ų6637.4 Ų37.443%0.42922%0.22SC..Hα-helixtrans-54.8-37.1-179.4-29.136.1000116.9L113 Y114 N115P111-L113 PolarHBondContact O-N 2.98Å; P111-Y114 HydrophobicContact CB-CE1 3.82Å; P111-Y114 HydrophobicContact CB-CE2 4.22Å; P111-Y114 WeakPolarHBondContact CB-OH 3.38Å; P111-Y114 HydrophobicContact CG-CE1 3.81Å; P111-N115 WeakPolarHBondContact O-CB 3.25Å; P111-N115 PolarHBondContact O-N 3.3Å
112A87.1Confident91.3Very high50 Ų5036 Ų3641%0.41321%0.213SC..Hα-helixtrans-68.8-23.717900000113.2L69 I110 S116L69-A112 HydrophobicContact CD1-CB 3.39Å; I110-A112 VanDerWaalsContact C-N 3.3Å; I110-A112 HydrophobicContact CG2-CB 4.43Å; I110-A112 PolarHBondContact O-N 2.89Å; A112-S116 WeakPolarHBondContact O-CB 3.43Å
113L89.7Confident91.2Very high0 Ų033 Ų330%019%0.192CC..Hα-helixtrans-89.8-42.8178.8-64.8-177.6000111.8L62 T65 H66 F76 F106 T107 I110 P111 N115 S116L62-L113 HydrophobicContact CD2-CB 4.5Å; L62-L113 HydrophobicContact CD2-CD2 4.29Å; T65-L113 HydrophobicContact CG2-CD2 3.78Å; H66-L113 HydrophobicContact CB-CD1 4.16Å; H66-L113 HydrophobicContact CB-CD2 4.32Å; F76-L113 HydrophobicContact CD2-CD1 4.5Å; F76-L113 HydrophobicContact CE2-CD1 3.93Å; F106-L113 HydrophobicContact CD1-CD1 4.44Å; F106-L113 HydrophobicContact CE1-CD1 4.41Å; T107-L113 HydrophobicContact CG2-CB 4.17Å; T107-L113 HydrophobicContact CG2-CD1 4.48Å; I110-L113 HydrophobicContact CB-CB 4.29Å; I110-L113 HydrophobicContact CB-CD1 4.08Å; I110-L113 HydrophobicContact CB-CG 4.15Å; I110-L113 HydrophobicContact CD1-CD1 3.97Å; I110-L113 HydrophobicContact CG2-CB 4.26Å; I110-L113 HydrophobicContact CG2-CD1 4.11Å; I110-L113 HydrophobicContact CG2-CG 3.81Å; I110-L113 PolarHBondContact O-N 3.34Å; P111-L113 PolarHBondContact O-N 2.98Å; L113-N115 VanDerWaalsContact C-N 3.3Å; L113-N115 PolarHBondContact O-N 3.34Å; L113-S116 WeakPolarHBondContact O-CB 3.49Å; L113-S116 PolarHBondContact O-N 2.91Å; L113-S116 VanDerWaalsContact O-N 3.14Å; L113-S116 PolarHBondContact O-OG 3.34Å
114Y88.3Confident90.9Very high23 Ų2338.9 Ų38.99%0.0921%0.214CC..Hα-helixtrans-70-27.7179.866.7-127.8000113.4R11 I110 P111 S116R11-Y114 VanDerWaalsContact NH2-CD2 3.26Å; I110-Y114 WeakPolarHBondContact O-CD1 3.46Å; I110-Y114 PolarHBondContact O-N 3.19Å; I110-Y114 VanDerWaalsContact O-N 3.15Å; P111-Y114 HydrophobicContact CB-CE1 3.82Å; P111-Y114 HydrophobicContact CB-CE2 4.22Å; P111-Y114 WeakPolarHBondContact CB-OH 3.38Å; P111-Y114 HydrophobicContact CG-CE1 3.81Å; Y114-S116 VanDerWaalsContact C-N 3.28Å
115N88.1Confident90.3Very high39 Ų3942.2 Ų42.221%0.20925%0.249CC..THydrogen-bonded Turntrans-928.5174.8-70.3-27.3000111.3R11 P111 L113 F259 S261R11-N115 PolarHBondContact NH2-OD1 3.09Å; R11-N115 VanDerWaalsContact NH2-OD1 3.14Å; P111-N115 WeakPolarHBondContact O-CB 3.25Å; P111-N115 PolarHBondContact O-N 3.3Å; L113-N115 VanDerWaalsContact C-N 3.3Å; L113-N115 PolarHBondContact O-N 3.34Å; N115-F259 WeakPolarHBondContact CA-O 3.5Å; N115-F259 PolarHBondContact OD1-O 2.9Å; N115-S261 PolarHBondContact ND2-O 2.98Å; N115-S261 VanDerWaalsContact ND2-O 3.14Å; N115-S261 PolarHBondContact OD1-O 3.07Å
116S90.8Very high89.8Confident5 Ų539.4 Ų39.44%0.03524%0.238CC..  trans-72.3142.9-176.972.60000111A112 L113 Y114 Q118 L119 K120A112-S116 WeakPolarHBondContact O-CB 3.43Å; L113-S116 WeakPolarHBondContact O-CB 3.49Å; L113-S116 PolarHBondContact O-N 2.91Å; L113-S116 VanDerWaalsContact O-N 3.14Å; L113-S116 PolarHBondContact O-OG 3.34Å; Y114-S116 VanDerWaalsContact C-N 3.28Å; S116-Q118 PolarHBondContact O-N 3.5Å; S116-L119 PolarHBondContact O-N 3.28Å; S116-L119 PolarHBondContact OG-N 3.07Å; S116-K120 PolarHBondContact O-N 3.45Å; S116-K120 VanDerWaalsContact O-N 3.15Å
117P90.3Very high89.4Confident76 Ų7644.9 Ų44.949%0.49426%0.264SS..Hα-helixtrans-62.5-27176.324.5-32.1000111.8K120 D121P117-K120 PolarHBondContact O-N 3.09Å; P117-D121 VanDerWaalsContact O-CB 3.32Å; P117-D121 WeakPolarHBondContact O-CB 3.37Å; P117-D121 PolarHBondContact O-N 2.85Å
118Q92.6Very high89.1Confident60 Ų6046.8 Ų46.828%0.2828%0.276SS..Hα-helixtrans-65.9-42.8178.8-62.581.414.700111.9L58 E61 S116 F122L58-Q118 HydrophobicContact CD1-CB 4.43Å; E61-Q118 HydrophobicContact CB-CB 4.17Å; E61-Q118 HydrophobicContact CB-CG 3.99Å; E61-Q118 HydrophobicContact CG-CG 4.39Å; S116-Q118 PolarHBondContact O-N 3.5Å; Q118-F122 PolarHBondContact O-N 2.94Å; Q118-F122 VanDerWaalsContact O-N 3.16Å
119L93.2Very high88.7Confident0 Ų046.9 Ų46.90%028%0.279CS..Hα-helixtrans-68.9-42174.7-16966.7000111.2F13 L58 L104 S116 F122 F123 F259F13-L119 HydrophobicContact CZ-CD2 4.02Å; L58-L119 HydrophobicContact CD1-CD1 4.43Å; L58-L119 HydrophobicContact CD2-CD1 4.05Å; L104-L119 HydrophobicContact CD2-CD1 3.78Å; S116-L119 PolarHBondContact O-N 3.28Å; S116-L119 PolarHBondContact OG-N 3.07Å; L119-F122 WeakPolarHBondContact O-CB 3.49Å; L119-F122 PolarHBondContact O-N 3.08Å; L119-F123 HydrophobicContact CD1-CD2 4.36Å; L119-F123 HydrophobicContact CD1-CE2 3.87Å; L119-F123 HydrophobicContact CG-CD2 4.4Å; L119-F123 HydrophobicContact CG-CE2 4.28Å; L119-F123 WeakPolarHBondContact O-CD2 3.49Å; L119-F123 PolarHBondContact O-N 3.12Å; L119-F259 HydrophobicContact CG-CE1 4.37Å
120K91.9Very high88.5Confident25 Ų2548.4 Ų48.411%0.10927%0.272CS..Hα-helixtrans-59.9-47.8177.2-172.9175.4-178.5175.30111.8S116 P117 F122 F123 R124 F255 D256 F259 D260S116-K120 PolarHBondContact O-N 3.45Å; S116-K120 VanDerWaalsContact O-N 3.15Å; P117-K120 PolarHBondContact O-N 3.09Å; K120-F122 VanDerWaalsContact C-N 3.27Å; K120-F122 PolarHBondContact O-N 3.31Å; K120-F123 PolarHBondContact O-N 3.43Å; K120-R124 PolarHBondContact O-N 3.19Å; K120-F255 HydrophobicContact CG-CE1 3.89Å; K120-F255 HydrophobicContact CG-CZ 4.31Å; K120-F255 WeakPolarHBondContact O-CZ 3.22Å; K120-D256 WeakPolarHBondContact CE-OD1 3.28Å; K120-D256 IonicContact NZ-OD1 3.74Å; K120-D256 PolarHBondContact NZ-OD1 2.82Å; K120-F259 HydrophobicContact CB-CB 4.26Å; K120-F259 HydrophobicContact CB-CG 4.44Å; K120-F259 HydrophobicContact CD-CB 4.18Å; K120-F259 HydrophobicContact CG-CB 4.02Å; K120-F259 HydrophobicContact CG-CG 4.32Å; K120-D260 IonicContact NZ-OD1 3.64Å; K120-D260 PolarHBondContact NZ-OD1 2.79Å; K120-D260 IonicContact NZ-OD2 3.87Å; K120-D260 PolarHBondContact NZ-OD2 3.24Å
121D92Very high87.6Confident83 Ų8351 Ų5144%0.44429%0.29SS..Hα-helixtrans-67.2-27.6179.2-75.3-24.6000112.8P117 F123 R124P117-D121 VanDerWaalsContact O-CB 3.32Å; P117-D121 WeakPolarHBondContact O-CB 3.37Å; P117-D121 PolarHBondContact O-N 2.85Å; D121-F123 VanDerWaalsContact C-N 3.35Å; D121-R124 VanDerWaalsContact O-CB 3.31Å; D121-R124 WeakPolarHBondContact O-CB 3.41Å; D121-R124 PolarHBondContact O-N 3.32Å; D121-R124 IonicContact OD1-CZ 2.84Å; D121-R124 VanDerWaalsContact OD1-CZ 3.32Å; D121-R124 IonicContact OD1-NE 2.99Å; D121-R124 PolarHBondContact OD1-NE 2.85Å; D121-R124 IonicContact OD1-NH2 3.08Å; D121-R124 PolarHBondContact OD1-NH2 3.39Å
122F94.2Very high86.4Confident18 Ų1852.9 Ų52.98%0.07930%0.296CS..Hα-helixtrans-64.2-38.9174179.2-92.1000112.7V30 V48 K50 E54 L55 L58 Q118 L119 K120V30-F122 HydrophobicContact CB-CE1 4.23Å; V30-F122 HydrophobicContact CG1-CE1 4.05Å; V30-F122 HydrophobicContact CG2-CE1 4.26Å; V30-F122 HydrophobicContact CG2-CZ 4.19Å; V48-F122 HydrophobicContact CG2-CE1 4.05Å; K50-F122 HydrophobicContact CB-CE2 4.26Å; K50-F122 HydrophobicContact CB-CZ 3.9Å; K50-F122 HydrophobicContact CD-CE2 4.16Å; K50-F122 HydrophobicContact CD-CZ 4.27Å; K50-F122 WeakPolarHBondContact CE-O 3.49Å; K50-F122 HydrophobicContact CG-CE1 4.07Å; K50-F122 HydrophobicContact CG-CE2 3.91Å; K50-F122 HydrophobicContact CG-CZ 3.54Å; E54-F122 HydrophobicContact CB-CE2 4.37Å; L55-F122 HydrophobicContact CD2-CZ 4.5Å; L55-F122 HydrophobicContact CG-CE2 4.31Å; L55-F122 HydrophobicContact CG-CZ 4.05Å; L58-F122 HydrophobicContact CB-CD2 4.01Å; L58-F122 HydrophobicContact CB-CE2 4.33Å; L58-F122 HydrophobicContact CD1-CB 4.15Å; L58-F122 HydrophobicContact CD2-CB 4.14Å; L58-F122 HydrophobicContact CD2-CD1 3.98Å; L58-F122 HydrophobicContact CD2-CD2 3.71Å; L58-F122 HydrophobicContact CD2-CE1 4.27Å; L58-F122 HydrophobicContact CD2-CE2 4.01Å; L58-F122 HydrophobicContact CD2-CG 3.68Å; L58-F122 HydrophobicContact CD2-CZ 4.26Å; L58-F122 HydrophobicContact CG-CD2 4.3Å; L58-F122 HydrophobicContact CG-CG 4.49Å; Q118-F122 PolarHBondContact O-N 2.94Å; Q118-F122 VanDerWaalsContact O-N 3.16Å; L119-F122 WeakPolarHBondContact O-CB 3.49Å; L119-F122 PolarHBondContact O-N 3.08Å; K120-F122 VanDerWaalsContact C-N 3.27Å; K120-F122 PolarHBondContact O-N 3.31Å
123F92.6Very high84.9Confident0 Ų054.8 Ų54.80%030%0.299CS..Hα-helixtrans-89-2.9176.9-71.7-80.4000113.8F13 V30 A32 V46 V48 L119 K120 D121 G125 G126 F255 F259F13-F123 HydrophobicContact CD1-CE2 4.31Å; F13-F123 AromaticContact CD1-CZ 3.96Å; F13-F123 HydrophobicContact CD1-CZ 3.96Å; F13-F123 AromaticContact CE1-CE2 3.87Å; F13-F123 HydrophobicContact CE1-CE2 3.87Å; F13-F123 AromaticContact CE1-CZ 3.95Å; F13-F123 HydrophobicContact CE1-CZ 3.95Å; V30-F123 HydrophobicContact CB-CE1 4.32Å; V30-F123 HydrophobicContact CG1-CE1 3.74Å; V30-F123 HydrophobicContact CG1-CZ 3.62Å; A32-F123 HydrophobicContact CB-CD1 4.05Å; A32-F123 HydrophobicContact CB-CE1 3.65Å; A32-F123 HydrophobicContact CB-CE2 4.33Å; A32-F123 HydrophobicContact CB-CZ 3.81Å; V46-F123 HydrophobicContact CG1-CB 4.35Å; V46-F123 HydrophobicContact CG1-CD1 4.36Å; V48-F123 HydrophobicContact CG1-CD1 4.21Å; V48-F123 HydrophobicContact CG2-CD1 3.67Å; V48-F123 HydrophobicContact CG2-CE1 3.82Å; L119-F123 HydrophobicContact CD1-CD2 4.36Å; L119-F123 HydrophobicContact CD1-CE2 3.87Å; L119-F123 HydrophobicContact CG-CD2 4.4Å; L119-F123 HydrophobicContact CG-CE2 4.28Å; L119-F123 WeakPolarHBondContact O-CD2 3.49Å; L119-F123 PolarHBondContact O-N 3.12Å; K120-F123 PolarHBondContact O-N 3.43Å; D121-F123 VanDerWaalsContact C-N 3.35Å; F123-G125 PolarHBondContact O-N 3.24Å; F123-G126 PolarHBondContact O-N 3.46Å; F123-F255 HydrophobicContact CB-CE2 3.79Å; F123-F255 HydrophobicContact CB-CZ 3.96Å; F123-F255 WeakPolarHBondContact O-CE2 3.42Å; F123-F259 HydrophobicContact CB-CE1 4.47Å; F123-F259 HydrophobicContact CB-CE2 4.22Å; F123-F259 HydrophobicContact CB-CZ 3.7Å; F123-F259 AromaticContact CD2-CE1 3.8Å; F123-F259 HydrophobicContact CD2-CE1 3.8Å; F123-F259 AromaticContact CD2-CZ 3.68Å; F123-F259 HydrophobicContact CD2-CZ 3.68Å; F123-F259 HydrophobicContact CE2-CE1 4.46Å; F123-F259 HydrophobicContact CG-CE1 4.37Å; F123-F259 AromaticContact CG-CZ 3.78Å; F123-F259 HydrophobicContact CG-CZ 3.78Å
124R90.2Very high83Confident122 Ų12260.5 Ų60.546%0.4634%0.336SS..THydrogen-bonded Turntrans-60.1132.6179.1-176.2-176.3-69.4-85.42.6110.7K120 D121 G126K120-R124 PolarHBondContact O-N 3.19Å; D121-R124 VanDerWaalsContact O-CB 3.31Å; D121-R124 WeakPolarHBondContact O-CB 3.41Å; D121-R124 PolarHBondContact O-N 3.32Å; D121-R124 IonicContact OD1-CZ 2.84Å; D121-R124 VanDerWaalsContact OD1-CZ 3.32Å; D121-R124 IonicContact OD1-NE 2.99Å; D121-R124 PolarHBondContact OD1-NE 2.85Å; D121-R124 IonicContact OD1-NH2 3.08Å; D121-R124 PolarHBondContact OD1-NH2 3.39Å; R124-G126 VanDerWaalsContact C-N 3.26Å
125G82.3Confident80.9Confident71 Ų7162.7 Ų62.773%0.73236%0.355SS*.THydrogen-bonded Turntrans76.310.4-17700000114.3F123F123-G125 PolarHBondContact O-N 3.24Å
126G84.4Confident79.1Confident16 Ų1666.6 Ų66.617%0.16538%0.382CS..  trans-71.1156.2169.800000113V47 F123 R124 V128V47-G126 WeakPolarHBondContact O-CA 3.31Å; F123-G126 PolarHBondContact O-N 3.46Å; R124-G126 VanDerWaalsContact C-N 3.26Å; G126-V128 PolarHBondContact O-N 3.42Å
127E83.6Confident77Confident148 Ų14870.7 Ų70.769%0.69242%0.417SS*.EExtended strand (participates in β ladder)trans-76.2114176.5-68.8178.2-17400109V46 V47V46-E127 WeakPolarHBondContact CA-O 3.05Å; V47-E127 PolarHBondContact N-O 2.89Å; V47-E127 PolarHBondContact O-N 2.96Å
128V85.3Confident74.7Confident40 Ų4072.2 Ų72.224%0.24243%0.429CS..EExtended strand (participates in β ladder)trans-84.2115.2173.2-171.80000108.3E45 V46 G126 F255E45-V128 CarbonylContact O-C 3.57Å; E45-V128 WeakPolarHBondContact O-CA 3.45Å; V46-V128 HydrophobicContact CG2-CG2 4.16Å; G126-V128 PolarHBondContact O-N 3.42Å; V128-F255 HydrophobicContact CG2-CB 4.37Å; V128-F255 HydrophobicContact CG2-CD2 4.46Å
129S81.9Confident72.4Confident54 Ų5473.9 Ų73.938%0.37845%0.447SS..EExtended strand (participates in β ladder)trans-120.3153.6177.5-67.20000110.4E45 P131E45-S129 PolarHBondContact N-O 3.49Å; E45-S129 PolarHBondContact O-N 2.9Å; S129-P131 WeakPolarHBondContact O-CD 3.32Å
130R83.4Confident70.2Confident110 Ų11077.8 Ų77.842%0.41548%0.479SS..  trans-111.896.3170.5-69.1178.8-167.6154.56.8107.8L132 D133 E254R130-L132 PolarHBondContact O-N 3.32Å; R130-L132 VanDerWaalsContact O-N 3.07Å; R130-D133 HydrophobicContact CB-CB 3.89Å; R130-D133 WeakPolarHBondContact CD-OD2 3.46Å; R130-D133 IonicContact NH1-OD2 2.62Å; R130-D133 PolarHBondContact O-N 2.9Å; R130-D133 VanDerWaalsContact O-N 3.07Å; R130-E254 IonicContact CZ-OE1 3.58Å; R130-E254 IonicContact NE-OE1 3.56Å; R130-E254 IonicContact NH2-OE1 2.72Å; R130-E254 PolarHBondContact NH2-OE1 2.9Å; R130-E254 IonicContact NH2-OE2 3.03Å; R130-E254 PolarHBondContact NH2-OE2 3.32Å; R130-E254 VanDerWaalsContact NH2-OE2 3.08Å
131P70.9Confident68.2Low65 Ų6578.5 Ų78.542%0.42249%0.494SS..THydrogen-bonded Turntrans-60.6-21.7-173-26.636.2000114.5V43 E45 S129V43-P131 HydrophobicContact CG1-CG 4.43Å; V43-P131 WeakPolarHBondContact O-CD 3.3Å; E45-P131 HydrophobicContact CB-CG 3.67Å; E45-P131 HydrophobicContact CG-CG 4.45Å; S129-P131 WeakPolarHBondContact O-CD 3.32Å
132L61.8Low66.6Low105 Ų10580.7 Ų80.755%0.5551%0.513SS..THydrogen-bonded Turntrans-95.2-12.3179.7-64.8177000113.7D41 V43 R130D41-L132 WeakPolarHBondContact O-CD1 3.31Å; V43-L132 HydrophobicContact CB-CD1 4.02Å; V43-L132 HydrophobicContact CB-CG 4.39Å; V43-L132 HydrophobicContact CG2-CD1 3.55Å; V43-L132 HydrophobicContact CG2-CG 4.36Å; R130-L132 PolarHBondContact O-N 3.32Å; R130-L132 VanDerWaalsContact O-N 3.07Å
133D55.5Low64.8Low91 Ų9186.9 Ų86.949%0.48755%0.546SS..SBendtrans-76.8131.3169.8-94.7-29000108.5R130 S135R130-D133 HydrophobicContact CB-CB 3.89Å; R130-D133 WeakPolarHBondContact CD-OD2 3.46Å; R130-D133 IonicContact NH1-OD2 2.62Å; R130-D133 PolarHBondContact O-N 2.9Å; R130-D133 VanDerWaalsContact O-N 3.07Å; D133-S135 VanDerWaalsContact C-N 3.32Å; D133-S135 PolarHBondContact O-N 3.34Å
134P49.7Very low63.6Low119 Ų11992.1 Ų92.177%0.77358%0.58SS**  trans-64.296.9171.827.4-32.3000108.2
135S44.3Very low62.5Low70 Ų7091.4 Ų91.449%0.4959%0.591SS.*  trans-53.9130.3171.3176.20000109.1D133 A137 S138D133-S135 VanDerWaalsContact C-N 3.32Å; D133-S135 PolarHBondContact O-N 3.34Å; S135-A137 PolarHBondContact O-N 3.03Å; S135-A137 WeakPolarHBondContact OG-CB 3.26Å; S135-A137 PolarHBondContact OG-N 3.37Å; S135-S138 PolarHBondContact O-N 3.02Å
136P50.9Low61.3Low121 Ų12192.5 Ų92.579%0.78659%0.585SS**THydrogen-bonded Turntrans-64.3-3.8173.726.1-32.7000113S138 S139P136-S138 VanDerWaalsContact C-N 3.28Å; P136-S139 PolarHBondContact O-N 2.87Å; P136-S139 VanDerWaalsContact O-N 3.16Å
137A45Very low59.9Low91 Ų91100.2 Ų100.275%0.75262%0.622SS**THydrogen-bonded Turntrans-75.3-13.9170.100000113.4S135 S139S135-A137 PolarHBondContact O-N 3.03Å; S135-A137 WeakPolarHBondContact OG-CB 3.26Å; S135-A137 PolarHBondContact OG-N 3.37Å; A137-S139 PolarHBondContact O-N 2.97Å
138S43.8Very low59.1Low108 Ų10899.4 Ų99.476%0.75562%0.621SS**  trans-9154.8156-93.10000109.5S135 P136 A140S135-S138 PolarHBondContact O-N 3.02Å; P136-S138 VanDerWaalsContact C-N 3.28Å; S138-A140 PolarHBondContact O-N 3.21Å
139S42.7Very low57.8Low95 Ų95103 Ų10366%0.66465%0.645SS**  trans-65.685.8144.5-178.20000105.6P136 A137 G141P136-S139 PolarHBondContact O-N 2.87Å; P136-S139 VanDerWaalsContact O-N 3.16Å; A137-S139 PolarHBondContact O-N 2.97Å; S139-G141 PolarHBondContact O-N 3.29Å
140A46.8Very low56.7Low81 Ų81107.3 Ų107.367%0.66966%0.663SS**  trans-5197.514200000104.5S138S138-A140 PolarHBondContact O-N 3.21Å
141G51.4Low55.4Low41 Ų41107.5 Ų107.542%0.42368%0.679SS.*  trans-46.8145.1162.500000107.1S139 L143S139-G141 PolarHBondContact O-N 3.29Å; G141-L143 PolarHBondContact O-N 3.07Å
142P58.3Low54.6Low128 Ų128114.3 Ų114.383%0.83170%0.701SS**SBendtrans-43.7121.3-17715.5-28.9000108.8
143L56.3Low54Low149 Ų149121 Ų12178%0.7872%0.72SS**  trans-44.2134.8-177.1-69.4170.5000108.4G141G141-L143 PolarHBondContact O-N 3.07Å
144P67.1Low53.5Low110 Ų110127.8 Ų127.871%0.71474%0.738SS**PPolyproline II helixtrans-51.9131.1179.620.5-31.1000108.3
145P66.3Low53.4Low106 Ų106127.3 Ų127.369%0.68874%0.744SS**PPolyproline II helixtrans-53.6138.3-178.718.7-29.3000108.9L147P145-L147 PolarHBondContact O-N 3.44Å
146P58.8Low53.9Low95 Ų95128 Ų12862%0.61775%0.749SS**PPolyproline II helixtrans-52.2128.5-175.820.9-32.5000109.6I148P146-I148 PolarHBondContact O-N 3.38Å
147L54.9Low53.5Low178 Ų178129 Ų12993%0.93275%0.748SS**SBendtrans-65.95.4179.5-70.1174000113.6P145 P149P145-L147 PolarHBondContact O-N 3.44Å; L147-P149 WeakPolarHBondContact O-CD 3.37Å
148I66.3Low53.2Low130 Ų130130.5 Ų130.567%0.66775%0.751SS**SBendtrans-103.5111.1173.2-53.5173.3000106.1P146 L150P146-I148 PolarHBondContact O-N 3.38Å; I148-L150 PolarHBondContact O-N 3.07Å
149P57Low53.1Low116 Ų116133.8 Ų133.875%0.75376%0.755SS**  trans-54.5108.4170.5-23.833.6000108.9L147 P151L147-P149 WeakPolarHBondContact O-CD 3.37Å; P149-P151 WeakPolarHBondContact O-CD 3.16Å
150L59.2Low53.2Low144 Ų144135 Ų13575%0.75476%0.76SS**  trans-58.2120.5171.4-77.9163.6000107.2I148 K152I148-L150 PolarHBondContact O-N 3.07Å; L150-K152 PolarHBondContact O-N 3.48Å; L150-K152 VanDerWaalsContact O-N 3.15Å
151P55.9Low53.2Low115 Ų115135.9 Ų135.975%0.74777%0.768SS**  trans-59.4124.9177.121-28.9000108.3P149 R153P149-P151 WeakPolarHBondContact O-CD 3.16Å; P151-R153 PolarHBondContact O-N 2.88Å
152K55.1Low53Low207 Ų207142.9 Ų142.990%0.979%0.79SS**  trans-56.4105.3175.1-69.3178.2179178.60107.8L150 R154L150-K152 PolarHBondContact O-N 3.48Å; L150-K152 VanDerWaalsContact O-N 3.15Å; K152-R154 PolarHBondContact O-N 3.34Å
153R48Very low52.8Low246 Ų246146.5 Ų146.593%0.92880%0.795SS**  trans-56.5110.7164-104.3-175.5-179.4157.9-0.1106.3P151 A155P151-R153 PolarHBondContact O-N 2.88Å; R153-A155 PolarHBondContact O-N 3.24Å
154R45.9Very low52.5Low233 Ų233148.4 Ų148.488%0.87980%0.8SS**  trans-64.3120.8163.5-72.8-172.2172.9157.8-0.5105.6K152 S156K152-R154 PolarHBondContact O-N 3.34Å; R154-S156 PolarHBondContact O-N 3.06Å
155A46.6Very low51.8Low109 Ų109152 Ų15290%0.90181%0.808SS**SBendtrans-6982.8167.900000107.5R153R153-A155 PolarHBondContact O-N 3.24Å
156S54.5Low50.8Low84 Ų84150.7 Ų150.759%0.58781%0.813SS**  trans-167.4119.7158.5-148.70000108.7R154R154-S156 PolarHBondContact O-N 3.06Å
157D43.6Very low50.3Low142 Ų142157.6 Ų157.676%0.75983%0.827SS**  trans88.9126.8152.3-47.9-43000119.4
158C37.8Very low50.2Low123 Ų123158.2 Ų158.283%0.83183%0.825SS**  trans102.285.8161.2-56.40000117.2
159E42.7Very low49.1Very low178 Ų178156.1 Ų156.183%0.83283%0.827SS**  trans23.7142134.9-61.9-65.9107.100121.1A161E159-A161 PolarHBondContact O-N 3.08Å
160P44.8Very low48.7Very low119 Ų119156.5 Ų156.577%0.77383%0.83SS**PPolyproline II helixtrans-73.4116.3179.530.8-31.3000111.2
161A45.7Very low48.1Very low101 Ų101156.5 Ų156.584%0.83584%0.836SS**PPolyproline II helixtrans-88.5138.816600000110E159E159-A161 PolarHBondContact O-N 3.08Å
162E48.2Very low47.4Very low187 Ų187158 Ų15887%0.87484%0.837SS**PPolyproline II helixtrans-63150.2-166.9-57.717516800113.6E164E162-E164 PolarHBondContact O-N 3.3Å
163E54.8Low47.3Very low204 Ų204153.7 Ų153.795%0.95383%0.83SS**  trans-58.9111.9171.2-78.8176.5141.700110.2
164E49.2Very low47.1Very low189 Ų189150.8 Ų150.888%0.88383%0.827SS**  trans-90.9115.5167.4-154.1-172.2-170.600109.7E162 G166E162-E164 PolarHBondContact O-N 3.3Å; E164-G166 PolarHBondContact O-N 3.08Å
165E53.6Low47Very low187 Ų187146.2 Ų146.287%0.87482%0.82SS**  trans-58.798.8172.3-171.5173.3175.300110.5R167E165-R167 PolarHBondContact O-N 3.35Å
166G45.1Very low46.9Very low77 Ų77148.2 Ų148.279%0.79482%0.815SS**  trans-73.1111.9179.500000112.4E164E164-G166 PolarHBondContact O-N 3.08Å
167R48.3Very low46.1Very low241 Ų241147.7 Ų147.791%0.90982%0.823SS**PPolyproline II helixtrans-64.9143.5172.6-70.2177.7174.6165.1-0.3112.4E165E165-R167 PolarHBondContact O-N 3.35Å
168E51.5Low45.9Very low190 Ų190146.4 Ų146.489%0.88882%0.82SS**PPolyproline II helixtrans-53.6133174.4-169.9178-173.800112.6
169A44Very low46.1Very low87 Ų87147.3 Ų147.372%0.71982%0.817SS**PPolyproline II helixtrans-79.5130.6179.400000111.3
170P47.4Very low46.1Very low124 Ų124146.8 Ų146.881%0.80582%0.818SS**PPolyproline II helixtrans-63.8136.8175.7-23.934.3000113.6
171T47.9Very low45.6Very low144 Ų144146.2 Ų146.288%0.88382%0.817SS**PPolyproline II helixtrans-72129.3169.546.70000110.2
172L41Very low45.2Very low145 Ų145148.6 Ų148.676%0.75982%0.815SS**  trans-127.5123.7171.2-143.7152.5000109.2Q174L172-Q174 HydrophobicContact CD2-CG 4.46Å
173P52.1Low44.7Very low117 Ų117147.8 Ų147.876%0.7681%0.811SS**  trans-80.8135.9178.427.7-23.5000110.1
174Q43.7Very low44.1Very low185 Ų185144.9 Ų144.986%0.86481%0.807SS**  trans-130143.5167.6-68.7-1705.200110.7L172L172-Q174 HydrophobicContact CD2-CG 4.46Å
175D43.8Very low43.2Very low138 Ų138139.4 Ų139.474%0.73880%0.801SS**  trans-122.4162.5-148.2-170.815.4000110
176L45.7Very low42.5Very low150 Ų150139.2 Ų139.279%0.78580%0.8SS**  trans80.9123.6158.4-50.8178.7000121.7
177G37.1Very low42.9Very low74 Ų74141 Ų14176%0.76380%0.798SS**  trans-167.250.6163.800000114.7
178T39.9Very low42.3Very low115 Ų115139 Ų13971%0.70680%0.798SS**  trans8.8127.5153.1240000122.8
179N41.7Very low41.7Very low142 Ų142136.2 Ų136.276%0.75980%0.795SS**  trans70.6117.9131.3-53.5-28.3000123.5
180I41.9Very low41.3Very low166 Ų166136.6 Ų136.685%0.85180%0.797SS**  -177.4103.6128.8-83.9142.7000104
181S35.3Very low40.8Very low107 Ų107134.5 Ų134.575%0.74879%0.791SS**  6913061.3-149.70000115.7
182L37.4Very low40.5Very low152 Ų152137 Ų13780%0.79679%0.792SS**  trans90.2131.6175.5-62.1155.1000116.1
183E37.1Very low40.2Very low170 Ų170133.8 Ų133.879%0.79479%0.787SS**  cis-172.1143.7-13.1-164.2168.6-170.900105.4
184V42.1Very low39.3Very low142 Ų142137.6 Ų137.686%0.86179%0.788SS**  trans-88.5134.3172166.80000108.5
185G31.7Very low39.1Very low74 Ų74137.1 Ų137.176%0.76379%0.791SS**  trans-161113.9166.700000111.4
186E37.8Very low39.1Very low184 Ų184138.3 Ų138.386%0.8679%0.792SS**  trans-75.2-158174.7-60.7-178.5135.200112.3
187P54Low38.7Very low114 Ų114139.1 Ų139.174%0.7480%0.796SS**  -116.2166.7-94.936-18.1000112.8
188E35.6Very low38.5Very low198 Ų198139.1 Ų139.193%0.92580%0.795SS**  trans-155.5149.3160.7-140.4178.3171.500114.8
189V39.1Very low37.9Very low133 Ų133137.3 Ų137.381%0.80680%0.799SS**  trans-96.2140.7-165.91730000111.2
190A34.7Very low37.4Very low94 Ų94137.2 Ų137.278%0.77780%0.804SS**  trans-166.7112.4146.700000106.8
191A36.4Very low37.4Very low81 Ų81134.9 Ų134.967%0.66980%0.8SS**  65.413062.400000113.9
192E42.1Very low37Very low195 Ų195135.5 Ų135.591%0.91180%0.799SS**  trans86.8136171.5-50.9-172.4-174.700116.4
193A35.5Very low36.9Very low79 Ų79137 Ų13765%0.65380%0.802SS**  cis-169.2144.8-7.900000108.7
194Y33.4Very low36.6Very low197 Ų197137.7 Ų137.777%0.77381%0.806SS**  trans26.5127147.2-66.8-92.2000121.7
195N38.2Very low36Very low174 Ų174139.3 Ų139.393%0.9380%0.804SS**  -152.4118.9107.7-94.9-55.2000111.2
196E44.7Very low35.7Very low163 Ų163144.4 Ų144.476%0.76281%0.808SS**  trans-97.8126169.9179.3-178-174.200107.5
197I36Very low35.3Very low168 Ų168142.5 Ų142.586%0.86280%0.799SS**  trans-158.2121.7154.5-126.794.7000102.5
198G33.8Very low34Very low73 Ų73143.4 Ų143.475%0.75380%0.798SS**  cis95.686.537.700000108.2
199G28.3Very low33.7Very low77 Ų77141.5 Ų141.579%0.79479%0.793SS**  trans166.583.217300000116.2
200T30.8Very low33.2Very low141 Ų141142.4 Ų142.487%0.86579%0.793SS**  trans-89.3163.8131.737.50000107.3
201P41.5Very low32.8Very low116 Ų116145.5 Ų145.575%0.75380%0.797SS**  cis-131.7-17915.638-18.3000113.3
202T27.3Very low32.8Very low121 Ų121146 Ų14674%0.74280%0.801SS**  170.2129.7121.7-74.90000110.2
203E34.1Very low32.2Very low183 Ų183144.5 Ų144.586%0.85579%0.794SS**  trans-60.5131.1168.8-62.4159.9157.600109.9
204E30.9Very low32.3Very low185 Ų185148.1 Ų148.186%0.86480%0.801SS**  trans-123.4101.4153.5-74-172.1174.900107.3Q206E204-Q206 PolarHBondContact O-N 3.35Å
205E31.1Very low32.7Very low175 Ų175146 Ų14682%0.81880%0.803SS**  trans-54.1124.4155.1-65.9171.2144.200108.1
206Q25.2Very low32.9Very low181 Ų181140.3 Ų140.385%0.84677%0.773SS**  trans-123.893.4156.9-166.567.661.600107.1E204E204-Q206 PolarHBondContact O-N 3.35Å
207E28.1Very low32.8Very low144 Ų144139.4 Ų139.467%0.67376%0.762SS**  trans-59.7145.3161.7-73-176.915000110.6
208D27.6Very low33.1Very low134 Ų134134 Ų13472%0.71775%0.748SS**  trans64.1123.4150.5-54.1-25.7000119.7
209L29.2Very low33.5Very low157 Ų157132.8 Ų132.882%0.82272%0.724SS**  -173.6132.9104-85.3178.1000109.5
210D27.9Very low34.3Very low152 Ų152133 Ų13381%0.81371%0.707SS**  trans-51.5135.2-175.3-60.7-63.3000114.3
211N26.6Very low35.1Very low160 Ų160131.3 Ų131.386%0.85669%0.692SS**  trans-105.580.7160.1-79.1-73.5000109
212A36.4Very low35.5Very low91 Ų91129.7 Ų129.775%0.75268%0.68SS**  trans-88.884.2154.200000107.7
213E30.5Very low36.7Very low164 Ų164126.6 Ų126.677%0.76666%0.659SS**  trans-94.493.5167.8-151.4-179-174.800107.7
214L37.7Very low37.5Very low155 Ų155121.9 Ų121.981%0.81265%0.645SS**  trans-76.6127.5169.1-78.8165.8000109.5D216L214-D216 PolarHBondContact O-N 2.98Å
215D40Very low38.3Very low153 Ų153119.7 Ų119.782%0.81863%0.632SS**  trans-4.293.7158.6-157.320000118.7
216D43.4Very low39.3Very low54 Ų54115 Ų11529%0.28961%0.613SS.*  trans-132.633.4172.9-165.645.9000114.2L214 N220L214-D216 PolarHBondContact O-N 2.98Å; D216-N220 PolarHBondContact O-ND2 3.43Å
217R43.1Very low40.4Very low144 Ų144112.2 Ų112.254%0.54360%0.598SS.*SBendtrans-100.1-16.6-177.7-65.6-173.9-157-98.8-3.7115.2
218G41.2Very low41.4Very low54 Ų54111.9 Ų111.956%0.55760%0.6SS**Hα-helixtrans-73.9-32.4178.100000114T222G218-T222 PolarHBondContact O-OG1 3.14Å
219L42.6Very low42.2Very low47 Ų47113.7 Ų113.725%0.24660%0.602CS.*Hα-helixtrans-76-41.4-173.7-122.696000112.8L221 T222 I223 M370 R371 A374L219-L221 VanDerWaalsContact C-N 3.32Å; L219-L221 PolarHBondContact O-N 3.44Å; L219-T222 PolarHBondContact O-N 3.2Å; L219-I223 HydrophobicContact CD2-CD1 4Å; L219-I223 HydrophobicContact CG-CD1 4.45Å; L219-I223 VanDerWaalsContact O-CG1 3.25Å; L219-I223 WeakPolarHBondContact O-CG1 3.5Å; L219-I223 PolarHBondContact O-N 3.36Å; L219-I223 VanDerWaalsContact O-N 3.08Å; L219-M370 HydrophobicContact CD2-CB 4.4Å; L219-R371 HydrophobicContact CD2-CB 4.47Å; L219-A374 HydrophobicContact CD2-CB 4.29Å; L219-A374 HydrophobicContact CG-CB 4.49Å
220N45.6Very low42.8Very low81 Ų81112.7 Ų112.743%0.43360%0.595SS.*Hα-helixtrans-64.6-33.2-176.5-79.5-65.1000112.9D216 C224D216-N220 PolarHBondContact O-ND2 3.43Å; N220-C224 WeakPolarHBondContact O-CB 3.42Å; N220-C224 PolarHBondContact O-N 3.3Å; N220-C224 PolarHBondContact O-SG 3.29Å
221L46.2Very low43.4Very low107 Ų107113 Ų11356%0.5659%0.589SS**Hα-helixtrans-73.7-38179.2-173.362.2000112.4L219 K225L219-L221 VanDerWaalsContact C-N 3.32Å; L219-L221 PolarHBondContact O-N 3.44Å; L221-K225 WeakPolarHBondContact O-CB 3.37Å; L221-K225 WeakPolarHBondContact O-CG 3.46Å; L221-K225 PolarHBondContact O-N 3.1Å; L221-K225 VanDerWaalsContact O-N 3.08Å
222T49.8Very low44Very low82 Ų82108.9 Ų108.950%0.50358%0.577SS.*Hα-helixtrans-67.8-40.1176.2-53.60000110.8G218 L219 K225 L226G218-T222 PolarHBondContact O-OG1 3.14Å; L219-T222 PolarHBondContact O-N 3.2Å; T222-K225 PolarHBondContact O-N 3.4Å; T222-L226 HydrophobicContact CG2-CD1 3.97Å; T222-L226 WeakPolarHBondContact O-CD1 3.32Å; T222-L226 PolarHBondContact O-N 3.48Å
223I52.5Low44.1Very low56 Ų56109.8 Ų109.829%0.28758%0.578SS.*Hα-helixtrans-69.2-41179-66.2170.7000111.5L219 K225 L226 F227 M370L219-I223 HydrophobicContact CD2-CD1 4Å; L219-I223 HydrophobicContact CG-CD1 4.45Å; L219-I223 VanDerWaalsContact O-CG1 3.25Å; L219-I223 WeakPolarHBondContact O-CG1 3.5Å; L219-I223 PolarHBondContact O-N 3.36Å; L219-I223 VanDerWaalsContact O-N 3.08Å; I223-K225 VanDerWaalsContact C-N 3.32Å; I223-K225 PolarHBondContact O-N 3.19Å; I223-L226 PolarHBondContact O-N 3.41Å; I223-F227 PolarHBondContact O-N 2.96Å; I223-M370 HydrophobicContact CD1-CE 3.79Å
224C51.1Low44.4Very low84 Ų84106 Ų10657%0.56858%0.575SS**Hα-helixtrans-63.3-36.3172.6-74.70000112.7N220 L228N220-C224 WeakPolarHBondContact O-CB 3.42Å; N220-C224 PolarHBondContact O-N 3.3Å; N220-C224 PolarHBondContact O-SG 3.29Å; C224-L228 PolarHBondContact O-N 2.83Å
225K49.2Very low44.1Very low138 Ų138105.2 Ų105.260%0.658%0.576SS**Hα-helixtrans-67.1-39.1174.5-77.9177.9178.91800112.2L221 T222 I223 L228 F229L221-K225 WeakPolarHBondContact O-CB 3.37Å; L221-K225 WeakPolarHBondContact O-CG 3.46Å; L221-K225 PolarHBondContact O-N 3.1Å; L221-K225 VanDerWaalsContact O-N 3.08Å; T222-K225 PolarHBondContact O-N 3.4Å; I223-K225 VanDerWaalsContact C-N 3.32Å; I223-K225 PolarHBondContact O-N 3.19Å; K225-L228 PolarHBondContact O-N 3.47Å; K225-F229 PolarHBondContact O-N 2.94Å; K225-F229 VanDerWaalsContact O-N 3.07Å
226L52.3Low43.9Very low77 Ų77103.3 Ų103.340%0.40358%0.575SS.*Hα-helixtrans-68.4-36.9175.6-97.1118.8000112.8T222 I223 L228 F229 M230T222-L226 HydrophobicContact CG2-CD1 3.97Å; T222-L226 WeakPolarHBondContact O-CD1 3.32Å; T222-L226 PolarHBondContact O-N 3.48Å; I223-L226 PolarHBondContact O-N 3.41Å; L226-L228 VanDerWaalsContact C-N 3.29Å; L226-L228 PolarHBondContact O-N 3.31Å; L226-F229 PolarHBondContact O-N 3.39Å; L226-M230 PolarHBondContact O-N 2.91Å
227F47.9Very low43.3Very low123 Ų123105.9 Ų105.954%0.53960%0.597SS.*Hα-helixtrans-62.6-38.1174.5-138.5-91.4000111.3I223 F231I223-F227 PolarHBondContact O-N 2.96Å; F227-F231 HydrophobicContact CD1-CD2 4.06Å; F227-F231 HydrophobicContact CD1-CE2 4.02Å; F227-F231 HydrophobicContact CE1-CD2 4.09Å; F227-F231 AromaticContact CE1-CE2 3.62Å; F227-F231 HydrophobicContact CE1-CE2 3.62Å; F227-F231 HydrophobicContact CE1-CZ 4.45Å; F227-F231 HydrophobicContact CZ-CE2 4Å; F227-F231 WeakPolarHBondContact O-CD2 3.38Å
228L49.1Very low43.6Very low137 Ų137104.3 Ų104.372%0.71761%0.606SS**Hα-helixtrans-71.7-35.5177.1-15871.8000112.5C224 K225 L226 A232C224-L228 PolarHBondContact O-N 2.83Å; K225-L228 PolarHBondContact O-N 3.47Å; L226-L228 VanDerWaalsContact C-N 3.29Å; L226-L228 PolarHBondContact O-N 3.31Å; L228-A232 WeakPolarHBondContact O-CB 3.42Å; L228-A232 PolarHBondContact O-N 3.05Å
229F43.8Very low43.2Very low172 Ų172110.5 Ų110.575%0.75462%0.62SS**Hα-helixtrans-73.7-35.4-178.3-158.6-98.9000113K225 L226K225-F229 PolarHBondContact O-N 2.94Å; K225-F229 VanDerWaalsContact O-N 3.07Å; L226-F229 PolarHBondContact O-N 3.39Å
230M41Very low42.7Very low136 Ų136115.5 Ų115.567%0.6765%0.646SS**Hα-helixtrans-74.1-31-179-124.6-172.7-60.900113.4L226L226-M230 PolarHBondContact O-N 2.91Å
231F40.8Very low42.1Very low157 Ų157115.3 Ų115.369%0.68965%0.651SS**Hα-helixtrans-90.4-7.5-179.6-79.2-85.3000114.4F227 S233F227-F231 HydrophobicContact CD1-CD2 4.06Å; F227-F231 HydrophobicContact CD1-CE2 4.02Å; F227-F231 HydrophobicContact CE1-CD2 4.09Å; F227-F231 AromaticContact CE1-CE2 3.62Å; F227-F231 HydrophobicContact CE1-CE2 3.62Å; F227-F231 HydrophobicContact CE1-CZ 4.45Å; F227-F231 HydrophobicContact CZ-CE2 4Å; F227-F231 WeakPolarHBondContact O-CD2 3.38Å; F231-S233 VanDerWaalsContact C-N 3.29Å; F231-S233 PolarHBondContact O-N 3.05Å
232A39.5Very low41.8Very low75 Ų75116.1 Ų116.162%0.6266%0.655SS**THydrogen-bonded Turntrans-80.9-2.4178.700000114.4L228 A234L228-A232 WeakPolarHBondContact O-CB 3.42Å; L228-A232 PolarHBondContact O-N 3.05Å; A232-A234 VanDerWaalsContact C-N 3.29Å; A232-A234 PolarHBondContact O-N 3Å
233S38Very low41Very low109 Ų109114.9 Ų114.976%0.76265%0.654SS**  trans-91.551.2179.5-62.50000112.7F231F231-S233 VanDerWaalsContact C-N 3.29Å; F231-S233 PolarHBondContact O-N 3.05Å
234A38.5Very low40.4Very low85 Ų85120.8 Ų120.870%0.70267%0.672SS**SBendtrans-162.184.3162.800000109.3A232A232-A234 VanDerWaalsContact C-N 3.29Å; A232-A234 PolarHBondContact O-N 3Å
235V31.5Very low40Very low138 Ų138121.9 Ų121.984%0.83667%0.672SS**  trans175114.4138.9156.90000106.6
236S34.4Very low39.7Very low114 Ų114120.5 Ų120.580%0.79767%0.668SS**  trans-75.8119.2167.1173.90000108.9
237S31.6Very low39.4Very low107 Ų107123 Ų12375%0.74868%0.678SS**  trans176.2157.7135.2-83.70000112.4
238P48.4Very low39.6Very low112 Ų112119.9 Ų119.973%0.72767%0.671SS**  trans-110.3-178.9-139.240.4-32.8000115.1
239E33.8Very low40Very low184 Ų184119 Ų11986%0.8666%0.663SS**  trans79.783.6161.1-100.5178.615500117.6
240L31Very low40.6Very low151 Ų151117.4 Ų117.479%0.79166%0.658SS**  trans-104.9114.9148.8-79.5167.3000108.5
241S34.5Very low41.9Very low77 Ų77114 Ų11454%0.53865%0.645SS.*  trans-51.7130.8-175.753.30000113.8A243 R244S241-A243 PolarHBondContact O-N 3.33Å; S241-R244 PolarHBondContact O-N 3.34Å
242L39.5Very low43.4Very low124 Ų124109.4 Ų109.465%0.64963%0.625SS**Hα-helixtrans-50.1-22.1175.4-166.6141.5000114.5R244 Q246L242-R244 VanDerWaalsContact C-N 3.34Å; L242-R244 PolarHBondContact O-N 2.88Å; L242-Q246 HydrophobicContact CD2-CG 4.39Å; L242-Q246 PolarHBondContact O-N 3.42Å
243A33.3Very low45.1Very low57 Ų57112.3 Ų112.347%0.47163%0.626SS.*Hα-helixtrans-67.9-25.617600000114.5S241 Q247S241-A243 PolarHBondContact O-N 3.33Å; A243-Q247 PolarHBondContact O-N 2.87Å
244R40.1Very low47.1Very low179 Ų179108.8 Ų108.868%0.67560%0.598SS**Hα-helixtrans-81.2-29.4-179.6-145.6176.1-154165.35.1112.4S241 L242 S248S241-R244 PolarHBondContact O-N 3.34Å; L242-R244 VanDerWaalsContact C-N 3.34Å; L242-R244 PolarHBondContact O-N 2.88Å; R244-S248 PolarHBondContact O-N 2.84Å; R244-S248 PolarHBondContact O-OG 2.96Å
245L42.7Very low49.4Very low108 Ų108105 Ų10557%0.56557%0.565SS**Hα-helixtrans-70.4-42.4173.8-83.6163.2000111.3Q247 S248 E249L245-Q247 PolarHBondContact O-N 3.18Å; L245-S248 WeakPolarHBondContact CA-OG 3.43Å; L245-S248 PolarHBondContact O-N 3Å; L245-S248 PolarHBondContact O-OG 3.4Å; L245-E249 WeakPolarHBondContact O-CG 3.43Å; L245-E249 PolarHBondContact O-N 2.99Å
246Q41.3Very low51.8Low108 Ų108100.6 Ų100.651%0.50554%0.537SS..Hα-helixtrans-64.2-41.6177.9-70.6177-36.300112.5L242 S248 E249 E250L242-Q246 HydrophobicContact CD2-CG 4.39Å; L242-Q246 PolarHBondContact O-N 3.42Å; Q246-S248 PolarHBondContact O-N 2.79Å; Q246-E249 PolarHBondContact O-N 3.47Å; Q246-E250 PolarHBondContact O-N 2.87Å
247Q46.5Very low54.2Low131 Ų13199 Ų9961%0.61253%0.526SS*.Hα-helixtrans-65.6-36.5173.8-75.2178.4-10.800112.5A243 L245 T251A243-Q247 PolarHBondContact O-N 2.87Å; L245-Q247 PolarHBondContact O-N 3.18Å; Q247-T251 WeakPolarHBondContact O-CB 3.34Å; Q247-T251 WeakPolarHBondContact O-CG2 3.28Å; Q247-T251 PolarHBondContact O-N 2.79Å; Q247-T251 VanDerWaalsContact O-N 3.13Å; Q247-T251 PolarHBondContact O-OG1 2.98Å
248S52.9Low56.6Low57 Ų5794 Ų9440%0.39949%0.491SS..Hα-helixtrans-71.1-33.1176.459.60000113.3R244 L245 Q246 T251 Q252R244-S248 PolarHBondContact O-N 2.84Å; R244-S248 PolarHBondContact O-OG 2.96Å; L245-S248 WeakPolarHBondContact CA-OG 3.43Å; L245-S248 PolarHBondContact O-N 3Å; L245-S248 PolarHBondContact O-OG 3.4Å; Q246-S248 PolarHBondContact O-N 2.79Å; S248-T251 WeakPolarHBondContact CA-OG1 3.15Å; S248-T251 PolarHBondContact O-OG1 2.96Å; S248-T251 VanDerWaalsContact O-OG1 3.11Å; S248-Q252 WeakPolarHBondContact O-CB 3Å; S248-Q252 PolarHBondContact O-N 3.32Å; S248-Q252 VanDerWaalsContact O-N 3.09Å
249E56.4Low58.1Low118 Ų11888.7 Ų88.755%0.55146%0.456SS*.Hα-helixtrans-73.6-45.6177.6-73.7177.4162.800111.1L245 Q246 T251 Q252 E253L245-E249 WeakPolarHBondContact O-CG 3.43Å; L245-E249 PolarHBondContact O-N 2.99Å; Q246-E249 PolarHBondContact O-N 3.47Å; E249-T251 PolarHBondContact O-N 3.35Å; E249-Q252 PolarHBondContact O-N 3.44Å; E249-E253 WeakPolarHBondContact O-CG 3.22Å; E249-E253 PolarHBondContact O-N 2.93Å
250E57.1Low60.3Low138 Ų13883.1 Ų83.165%0.64543%0.433SS*.Hα-helixtrans-62.8-40.8176.6-74.8-176.4160.500112.4Q246 Q252 E254Q246-E250 PolarHBondContact O-N 2.87Å; E250-Q252 VanDerWaalsContact C-N 3.33Å; E250-Q252 PolarHBondContact O-N 3.33Å; E250-E254 VanDerWaalsContact O-CB 3.31Å; E250-E254 WeakPolarHBondContact O-CB 3.41Å; E250-E254 PolarHBondContact O-N 3.37Å
251T66.9Low61.6Low65 Ų6576.6 Ų76.640%0.39940%0.4SS..Hα-helixtrans-68-32.417649.40000112.3Q247 S248 E249 F255Q247-T251 WeakPolarHBondContact O-CB 3.34Å; Q247-T251 WeakPolarHBondContact O-CG2 3.28Å; Q247-T251 PolarHBondContact O-N 2.79Å; Q247-T251 VanDerWaalsContact O-N 3.13Å; Q247-T251 PolarHBondContact O-OG1 2.98Å; S248-T251 WeakPolarHBondContact CA-OG1 3.15Å; S248-T251 PolarHBondContact O-OG1 2.96Å; S248-T251 VanDerWaalsContact O-OG1 3.11Å; E249-T251 PolarHBondContact O-N 3.35Å; T251-F255 VanDerWaalsContact O-CB 3.25Å; T251-F255 WeakPolarHBondContact O-CB 3.45Å; T251-F255 PolarHBondContact O-N 2.89Å
252Q72.3Confident62.4Low60 Ų6077 Ų7728%0.2840%0.399SS..Hα-helixtrans-73.7-40.8176.6-173.863.150.500112.2S248 E249 E250 F255 D256S248-Q252 WeakPolarHBondContact O-CB 3Å; S248-Q252 PolarHBondContact O-N 3.32Å; S248-Q252 VanDerWaalsContact O-N 3.09Å; E249-Q252 PolarHBondContact O-N 3.44Å; E250-Q252 VanDerWaalsContact C-N 3.33Å; E250-Q252 PolarHBondContact O-N 3.33Å; Q252-F255 WeakPolarHBondContact O-CB 3.36Å; Q252-F255 PolarHBondContact O-N 3.36Å; Q252-D256 PolarHBondContact NE2-OD1 3.01Å; Q252-D256 WeakPolarHBondContact O-CB 3.32Å; Q252-D256 VanDerWaalsContact O-CG 3.31Å; Q252-D256 PolarHBondContact O-N 2.7Å
253E76Confident62.6Low136 Ų13674.8 Ų74.864%0.63639%0.39SS*.Hα-helixtrans-65.9-39173.9-71.1-174.8-179.100111.9E249 D256 S257E249-E253 WeakPolarHBondContact O-CG 3.22Å; E249-E253 PolarHBondContact O-N 2.93Å; E253-D256 PolarHBondContact O-N 3.3Å; E253-S257 WeakPolarHBondContact O-CB 3.24Å; E253-S257 PolarHBondContact O-N 2.95Å; E253-S257 VanDerWaalsContact O-N 3.1Å; E253-S257 PolarHBondContact O-OG 3.18Å
254E80.9Confident63.2Low36 Ų3679.2 Ų79.217%0.16840%0.401CS..Hα-helixtrans-63.3-44.6173.1-178.2169.1-157.800111K44 R130 E250 S257 L258K44-E254 HydrophobicContact CD-CG 4.47Å; K44-E254 WeakPolarHBondContact CD-OE1 3.32Å; K44-E254 WeakPolarHBondContact CE-OE1 3.31Å; K44-E254 IonicContact NZ-OE1 3.34Å; K44-E254 PolarHBondContact NZ-OE1 3.48Å; R130-E254 IonicContact CZ-OE1 3.58Å; R130-E254 IonicContact NE-OE1 3.56Å; R130-E254 IonicContact NH2-OE1 2.72Å; R130-E254 PolarHBondContact NH2-OE1 2.9Å; R130-E254 IonicContact NH2-OE2 3.03Å; R130-E254 PolarHBondContact NH2-OE2 3.32Å; R130-E254 VanDerWaalsContact NH2-OE2 3.08Å; E250-E254 VanDerWaalsContact O-CB 3.31Å; E250-E254 WeakPolarHBondContact O-CB 3.41Å; E250-E254 PolarHBondContact O-N 3.37Å; E254-S257 PolarHBondContact O-N 2.96Å; E254-L258 WeakPolarHBondContact O-CG 3.38Å; E254-L258 PolarHBondContact O-N 3.45Å
255F85.6Confident63.1Low4 Ų478.7 Ų78.72%0.01841%0.406CS..Hα-helixtrans-58.8-49.2174.4170.7-91.6000112V46 K120 F123 V128 T251 Q252 S257 L258 F259V46-F255 HydrophobicContact CG1-CD2 4.29Å; V46-F255 HydrophobicContact CG1-CE2 4.12Å; V46-F255 HydrophobicContact CG2-CD2 4.26Å; K120-F255 HydrophobicContact CG-CE1 3.89Å; K120-F255 HydrophobicContact CG-CZ 4.31Å; K120-F255 WeakPolarHBondContact O-CZ 3.22Å; F123-F255 HydrophobicContact CB-CE2 3.79Å; F123-F255 HydrophobicContact CB-CZ 3.96Å; F123-F255 WeakPolarHBondContact O-CE2 3.42Å; V128-F255 HydrophobicContact CG2-CB 4.37Å; V128-F255 HydrophobicContact CG2-CD2 4.46Å; T251-F255 VanDerWaalsContact O-CB 3.25Å; T251-F255 WeakPolarHBondContact O-CB 3.45Å; T251-F255 PolarHBondContact O-N 2.89Å; Q252-F255 WeakPolarHBondContact O-CB 3.36Å; Q252-F255 PolarHBondContact O-N 3.36Å; F255-S257 PolarHBondContact O-N 3.39Å; F255-L258 WeakPolarHBondContact O-CB 3.33Å; F255-L258 PolarHBondContact O-N 3.09Å; F255-L258 VanDerWaalsContact O-N 3.12Å; F255-F259 HydrophobicContact CD2-CD2 4.34Å; F255-F259 AromaticContact CD2-CE2 3.97Å; F255-F259 HydrophobicContact CD2-CE2 3.97Å; F255-F259 HydrophobicContact CE1-CD2 4.4Å; F255-F259 AromaticContact CE2-CD2 3.93Å; F255-F259 HydrophobicContact CE2-CD2 3.93Å; F255-F259 AromaticContact CE2-CE2 3.39Å; F255-F259 HydrophobicContact CE2-CE2 3.39Å; F255-F259 HydrophobicContact CE2-CZ 4.23Å; F255-F259 AromaticContact CZ-CD2 3.95Å; F255-F259 HydrophobicContact CZ-CD2 3.95Å; F255-F259 AromaticContact CZ-CE2 3.76Å; F255-F259 HydrophobicContact CZ-CE2 3.76Å
256D82.9Confident62.7Low46 Ų4682.3 Ų82.325%0.24642%0.42CS..Hα-helixtrans-62.3-36.4-177.6-74.4-20.2000111.5K120 Q252 E253 L258 F259 D260K120-D256 WeakPolarHBondContact CE-OD1 3.28Å; K120-D256 IonicContact NZ-OD1 3.74Å; K120-D256 PolarHBondContact NZ-OD1 2.82Å; Q252-D256 PolarHBondContact NE2-OD1 3.01Å; Q252-D256 WeakPolarHBondContact O-CB 3.32Å; Q252-D256 VanDerWaalsContact O-CG 3.31Å; Q252-D256 PolarHBondContact O-N 2.7Å; E253-D256 PolarHBondContact O-N 3.3Å; D256-L258 VanDerWaalsContact C-N 3.31Å; D256-L258 PolarHBondContact O-N 3.41Å; D256-F259 PolarHBondContact O-N 3.41Å; D256-D260 PolarHBondContact O-N 2.76Å
257S83.6Confident62.2Low81 Ų8184.6 Ų84.657%0.56644%0.435SS*.Hα-helixtrans-65.2-28.3177.2-61.70000113.9E253 E254 F255E253-S257 WeakPolarHBondContact O-CB 3.24Å; E253-S257 PolarHBondContact O-N 2.95Å; E253-S257 VanDerWaalsContact O-N 3.1Å; E253-S257 PolarHBondContact O-OG 3.18Å; E254-S257 PolarHBondContact O-N 2.96Å; F255-S257 PolarHBondContact O-N 3.39Å
258L82.1Confident61.6Low1 Ų183.8 Ų83.81%0.00544%0.44CS..Hα-helixtrans-71-32.6179.2-72.2174000113Y9 F34 K44 V46 E254 F255 D256Y9-L258 HydrophobicContact CE1-CD2 4.32Å; Y9-L258 HydrophobicContact CE2-CD2 4.48Å; F34-L258 HydrophobicContact CB-CD2 3.7Å; F34-L258 HydrophobicContact CD1-CB 4.05Å; F34-L258 HydrophobicContact CD1-CD2 4.07Å; F34-L258 HydrophobicContact CD2-CB 4.29Å; F34-L258 HydrophobicContact CD2-CD1 3.84Å; F34-L258 HydrophobicContact CD2-CD2 4.14Å; F34-L258 HydrophobicContact CD2-CG 4.32Å; F34-L258 HydrophobicContact CE1-CB 3.96Å; F34-L258 WeakPolarHBondContact CE1-O 3.24Å; F34-L258 HydrophobicContact CE2-CB 4.22Å; F34-L258 HydrophobicContact CE2-CD1 4.12Å; F34-L258 HydrophobicContact CG-CB 4.22Å; F34-L258 HydrophobicContact CG-CD1 4.3Å; F34-L258 HydrophobicContact CG-CD2 3.72Å; F34-L258 HydrophobicContact CG-CG 4.31Å; F34-L258 HydrophobicContact CZ-CB 4.07Å; K44-L258 HydrophobicContact CB-CD1 4.15Å; K44-L258 HydrophobicContact CB-CD2 4.29Å; K44-L258 HydrophobicContact CD-CD1 4.42Å; K44-L258 HydrophobicContact CD-CD2 3.91Å; V46-L258 HydrophobicContact CG2-CD1 4.18Å; E254-L258 WeakPolarHBondContact O-CG 3.38Å; E254-L258 PolarHBondContact O-N 3.45Å; F255-L258 WeakPolarHBondContact O-CB 3.33Å; F255-L258 PolarHBondContact O-N 3.09Å; F255-L258 VanDerWaalsContact O-N 3.12Å; D256-L258 VanDerWaalsContact C-N 3.31Å; D256-L258 PolarHBondContact O-N 3.41Å
259F81.5Confident60.5Low1 Ų186 Ų860%0.00446%0.456CS..Hα-helixtrans-95.9-15.8-176.5-71.8-91.3000113.3A32 F34 N115 L119 K120 F123 F255 D256A32-F259 HydrophobicContact CB-CZ 4.48Å; F34-F259 HydrophobicContact CE2-CE2 4.05Å; F34-F259 HydrophobicContact CE2-CZ 4.07Å; F34-F259 HydrophobicContact CZ-CD1 4.3Å; F34-F259 HydrophobicContact CZ-CD2 4.1Å; F34-F259 AromaticContact CZ-CE1 3.84Å; F34-F259 HydrophobicContact CZ-CE1 3.84Å; F34-F259 AromaticContact CZ-CE2 3.6Å; F34-F259 HydrophobicContact CZ-CE2 3.6Å; F34-F259 HydrophobicContact CZ-CG 4.43Å; F34-F259 AromaticContact CZ-CZ 3.48Å; F34-F259 HydrophobicContact CZ-CZ 3.48Å; F34-F259 VanDerWaalsContact CZ-CZ 3.48Å; N115-F259 WeakPolarHBondContact CA-O 3.5Å; N115-F259 PolarHBondContact OD1-O 2.9Å; L119-F259 HydrophobicContact CG-CE1 4.37Å; K120-F259 HydrophobicContact CB-CB 4.26Å; K120-F259 HydrophobicContact CB-CG 4.44Å; K120-F259 HydrophobicContact CD-CB 4.18Å; K120-F259 HydrophobicContact CG-CB 4.02Å; K120-F259 HydrophobicContact CG-CG 4.32Å; F123-F259 HydrophobicContact CB-CE1 4.47Å; F123-F259 HydrophobicContact CB-CE2 4.22Å; F123-F259 HydrophobicContact CB-CZ 3.7Å; F123-F259 AromaticContact CD2-CE1 3.8Å; F123-F259 HydrophobicContact CD2-CE1 3.8Å; F123-F259 AromaticContact CD2-CZ 3.68Å; F123-F259 HydrophobicContact CD2-CZ 3.68Å; F123-F259 HydrophobicContact CE2-CE1 4.46Å; F123-F259 HydrophobicContact CG-CE1 4.37Å; F123-F259 AromaticContact CG-CZ 3.78Å; F123-F259 HydrophobicContact CG-CZ 3.78Å; F255-F259 HydrophobicContact CD2-CD2 4.34Å; F255-F259 AromaticContact CD2-CE2 3.97Å; F255-F259 HydrophobicContact CD2-CE2 3.97Å; F255-F259 HydrophobicContact CE1-CD2 4.4Å; F255-F259 AromaticContact CE2-CD2 3.93Å; F255-F259 HydrophobicContact CE2-CD2 3.93Å; F255-F259 AromaticContact CE2-CE2 3.39Å; F255-F259 HydrophobicContact CE2-CE2 3.39Å; F255-F259 HydrophobicContact CE2-CZ 4.23Å; F255-F259 AromaticContact CZ-CD2 3.95Å; F255-F259 HydrophobicContact CZ-CD2 3.95Å; F255-F259 AromaticContact CZ-CE2 3.76Å; F255-F259 HydrophobicContact CZ-CE2 3.76Å; D256-F259 PolarHBondContact O-N 3.41Å
260D78.3Confident59.5Low68 Ų6886 Ų8636%0.36447%0.466SS..  trans-10225.3-175.3-66-19.3000115K6 K120 D256 V262K6-D260 WeakPolarHBondContact CE-O 3.41Å; K6-D260 PolarHBondContact NZ-O 3.29Å; K120-D260 IonicContact NZ-OD1 3.64Å; K120-D260 PolarHBondContact NZ-OD1 2.79Å; K120-D260 IonicContact NZ-OD2 3.87Å; K120-D260 PolarHBondContact NZ-OD2 3.24Å; D256-D260 PolarHBondContact O-N 2.76Å; D260-V262 VanDerWaalsContact C-N 3.27Å; D260-V262 PolarHBondContact O-N 3.34Å
261S59.4Low58.4Low14 Ų1488.6 Ų88.610%0.09848%0.476CS..  trans-68.678.8175.2-530000111.7N115 V263N115-S261 PolarHBondContact ND2-O 2.98Å; N115-S261 VanDerWaalsContact ND2-O 3.14Å; N115-S261 PolarHBondContact OD1-O 3.07Å; S261-V263 PolarHBondContact O-N 3.15Å
262V50.2Low57.4Low85 Ų8594.6 Ų94.652%0.51550%0.499SS..  trans-64.5118.2167177.80000109.4D260D260-V262 VanDerWaalsContact C-N 3.27Å; D260-V262 PolarHBondContact O-N 3.34Å
263V44.1Very low55.7Low78 Ų78100.3 Ų100.347%0.47353%0.526SS..  trans-75.3111.1157.5164.80000106.4S261 E265S261-V263 PolarHBondContact O-N 3.15Å; V263-E265 HydrophobicContact CG1-CG 3.96Å; V263-E265 PolarHBondContact O-N 3.42Å
264E46.1Very low54.2Low149 Ų14999.8 Ų99.870%0.69653%0.532SS*.  trans-77.998.7157.6-79.3-171.4166.500106.3Q266E264-Q266 PolarHBondContact O-N 2.85Å
265E38.9Very low52.5Low168 Ų168103 Ų10379%0.78556%0.555SS**  trans-62.3127.4158.7-80.9-166.4142.900107.7V263 I267V263-E265 HydrophobicContact CG1-CG 3.96Å; V263-E265 PolarHBondContact O-N 3.42Å; E265-I267 PolarHBondContact O-N 3.41Å
266Q34.4Very low50.7Low185 Ų185107.8 Ų107.886%0.86459%0.587SS**  trans-49.6109.2174.6-99.783.834.900111.5E264E264-Q266 PolarHBondContact O-N 2.85Å
267I30.4Very low49.3Very low156 Ų156111.8 Ų111.880%0.862%0.615SS**PPolyproline II helixtrans-98.3123.9152.4-58.5175.1000105.8E265 S269E265-I267 PolarHBondContact O-N 3.41Å; I267-S269 PolarHBondContact O-N 2.94Å
268P33.9Very low47.5Very low113 Ų113113.8 Ų113.873%0.73462%0.619SS**PPolyproline II helixtrans-67.6129.7-178.328.1-32000109.8
269S29.8Very low46.4Very low103 Ų103117.3 Ų117.372%0.7264%0.644SS**PPolyproline II helixtrans-47.6126.7173.71780000111.9I267 K271I267-S269 PolarHBondContact O-N 2.94Å; S269-K271 PolarHBondContact O-N 3.28Å
270P35.3Very low45.1Very low120 Ų120125.5 Ų125.578%0.77968%0.682SS**PPolyproline II helixtrans-75.8121.3161.29.26.4000107.9
271K34.4Very low44Very low192 Ų192128.5 Ų128.584%0.83570%0.698SS**PPolyproline II helixtrans-53.5137.2168.5-69.2174.4177.6175.30110S269 E273S269-K271 PolarHBondContact O-N 3.28Å; K271-E273 PolarHBondContact O-N 3.35Å; K271-E273 VanDerWaalsContact O-N 3.12Å
272E45.3Very low44Very low190 Ų190132.6 Ų132.689%0.88872%0.719SS**  trans-40.8104159.7-164.3171.5-164.500111.4
273E37.7Very low44.4Very low181 Ų181134.8 Ų134.885%0.84673%0.727SS**  trans-131.3108.7158.9-163172.3-164.700106.8K271 P275K271-E273 PolarHBondContact O-N 3.35Å; K271-E273 VanDerWaalsContact O-N 3.12Å; E273-P275 VanDerWaalsContact O-CD 3.3Å; E273-P275 WeakPolarHBondContact O-CD 3.31Å
274V43.2Very low45.1Very low125 Ų125132.9 Ų132.976%0.75872%0.719SS**PPolyproline II helixtrans-64.7118.9-175.6173.40000109.8
275P44.8Very low45.6Very low103 Ų103130.4 Ų130.467%0.66971%0.714SS**PPolyproline II helixtrans-79.7152166.5-1.220.2000110E273E273-P275 VanDerWaalsContact O-CD 3.3Å; E273-P275 WeakPolarHBondContact O-CD 3.31Å
276P49.1Very low46Very low105 Ų105131.2 Ų131.268%0.68272%0.715SS**PPolyproline II helixtrans-63147-179.527.7-33.4000110.8L278P276-L278 PolarHBondContact O-N 3.07Å; P276-L278 VanDerWaalsContact O-N 3.15Å
277P52.4Low47.1Very low130 Ų130126.6 Ų126.684%0.84470%0.697SS**PPolyproline II helixtrans-66.1119.6179.427.2-32.2000109.3
278L45.4Very low48.5Very low123 Ų123125.4 Ų125.464%0.64470%0.699SS**PPolyproline II helixtrans-65.5139.6171-60.2177.9000109P276P276-L278 PolarHBondContact O-N 3.07Å; P276-L278 VanDerWaalsContact O-N 3.15Å
279S60.7Low49.2Very low75 Ų75124.9 Ų124.952%0.52470%0.697SS.*PPolyproline II helixtrans-67.9151.7179.875.20000111.3N281 D282S279-N281 PolarHBondContact O-N 3.31Å; S279-D282 PolarHBondContact O-N 3.4Å
280E54Low50.2Low172 Ų172127.5 Ų127.580%0.80469%0.692SS**Hα-helixtrans-50.1-23.9178.9-84.1176.214500114.3L283E280-L283 PolarHBondContact O-N 3.25Å
281N55.3Low50.8Low132 Ų132131 Ų13171%0.70670%0.695SS**Hα-helixtrans-71.4-25.3177-78.2-16.4000114.6S279S279-N281 PolarHBondContact O-N 3.31Å
282D57.9Low51.2Low99 Ų99129.2 Ų129.253%0.52969%0.69SS.*Hα-helixtrans-85.5-17.4177.4-97.1-23.8000112.6S279 A284S279-D282 PolarHBondContact O-N 3.4Å; D282-A284 VanDerWaalsContact C-N 3.35Å
283L58.5Low51Low132 Ų132128.7 Ų128.769%0.69169%0.688SS**Hα-helixtrans-79-20.1173-72.5167.3000112.4E280E280-L283 PolarHBondContact O-N 3.25Å
284A59.3Low50.8Low37 Ų37131 Ų13131%0.30669%0.689SS.*SBendtrans-88.7-6.8-176.800000114.7D282D282-A284 VanDerWaalsContact C-N 3.35Å
285V56.2Low50.3Low98 Ų98130 Ų13059%0.59469%0.687SS**SBendtrans-80.1-22.7-175.71620000113.4
286F48.8Very low50Low184 Ų184133 Ų13381%0.80770%0.697SS**SBendtrans-111.39.2-175.9-68.1-78.3000114.3P288F286-P288 WeakPolarHBondContact O-CD 3.41Å
287D55.6Low49.2Very low89 Ų89133.5 Ų133.548%0.47670%0.703SS.*  trans-86.5115.1171.9-168.6-13.7000109.8C289 Y290D287-C289 PolarHBondContact O-N 3.25Å; D287-C289 WeakPolarHBondContact OD1-CB 3.29Å; D287-C289 PolarHBondContact OD1-N 3.3Å; D287-Y290 PolarHBondContact O-N 3.04Å
288P60.2Low48.4Very low130 Ų130132.7 Ų132.784%0.84470%0.701SS**THydrogen-bonded Turntrans-60.3-10174.4-19.933.1000113.9F286F286-P288 WeakPolarHBondContact O-CD 3.41Å
289C50Low48.1Very low103 Ų103131 Ų13170%0.69670%0.699SS**THydrogen-bonded Turntrans-111.614.1-175.1-82.10000115.7D287 K291D287-C289 PolarHBondContact O-N 3.25Å; D287-C289 WeakPolarHBondContact OD1-CB 3.29Å; D287-C289 PolarHBondContact OD1-N 3.3Å; C289-K291 PolarHBondContact O-N 3.32Å
290Y49.7Very low46.9Very low158 Ų158133.3 Ų133.362%0.6271%0.705SS**  trans-73.192.4171.1-164.2-97.1000111.5D287D287-Y290 PolarHBondContact O-N 3.04Å
291K48Very low46.4Very low194 Ų194130.7 Ų130.784%0.84369%0.693SS**  trans-122.8119.5162.4-72-173.8-178172.20109.3C289 E293C289-K291 PolarHBondContact O-N 3.32Å; K291-E293 PolarHBondContact O-N 2.96Å
292Q43Very low46.1Very low153 Ų153128.1 Ų128.172%0.71569%0.685SS**  trans-40.1130.4169.3-170.985.243.700111.7R294Q292-R294 PolarHBondContact O-N 2.93Å
293E40.1Very low45.7Very low180 Ų180131.3 Ų131.384%0.84170%0.697SS**  trans-37.4125.8178.7-64.3-173.515600114.8K291K291-E293 PolarHBondContact O-N 2.96Å
294R35.2Very low45.1Very low230 Ų230131.6 Ų131.687%0.86870%0.699SS**  trans-158.7118.4141.6-145.6179.1-100.8-171.8-6111.8Q292Q292-R294 PolarHBondContact O-N 2.93Å
295S32.3Very low44.8Very low102 Ų102132.5 Ų132.571%0.71370%0.696SS**  trans67.9125.2152.642.80000120
296D38.5Very low44.1Very low167 Ų167132.2 Ų132.289%0.89370%0.698SS**  trans-44.9130.9167.6-57-73.4000114
297S31.5Very low44Very low116 Ų116128.5 Ų128.581%0.81169%0.686SS**  trans-164.4120.3148.449.20000112.9
298S37Very low43.2Very low113 Ų113128.9 Ų128.979%0.7969%0.694SS**  trans38119.2140.7-169.80000120.4D300S298-D300 PolarHBondContact O-N 3Å
299S39Very low42.3Very low86 Ų86128.3 Ų128.360%0.60169%0.69SS**  trans-38.1119.7163.1-170.50000113.4H301S299-H301 PolarHBondContact O-N 2.88Å; S299-H301 PolarHBondContact OG-CD2 3.46Å; S299-H301 PolarHBondContact OG-NE2 2.91Å
300D35.3Very low42Very low124 Ų124128.1 Ų128.166%0.66370%0.695SS**  trans-98.581.7-176.3-142-9.8000109.5S298 S302S298-D300 PolarHBondContact O-N 3Å; D300-S302 VanDerWaalsContact C-N 3.27Å; D300-S302 PolarHBondContact OD1-OG 3.47Å
301H43.5Very low41.8Very low118 Ų118125 Ų12555%0.54670%0.697SS.*  trans-87.33.2173-69.7-67.1000113S299 E303 F305S299-H301 PolarHBondContact O-N 2.88Å; S299-H301 PolarHBondContact OG-CD2 3.46Å; S299-H301 PolarHBondContact OG-NE2 2.91Å; H301-E303 VanDerWaalsContact C-N 3.27Å; H301-E303 PolarHBondContact O-N 3.43Å; H301-F305 WeakPolarHBondContact O-CD2 3.42Å
302S49.2Very low41.2Very low78 Ų78123.8 Ų123.855%0.54570%0.699SS.*THydrogen-bonded Turntrans-64.4-25.6-170.9-35.60000114.1D300D300-S302 VanDerWaalsContact C-N 3.27Å; D300-S302 PolarHBondContact OD1-OG 3.47Å
303E48.8Very low41.5Very low165 Ų165125 Ų12577%0.77171%0.708SS**THydrogen-bonded Turntrans-89.5-16.8-168.5-67.7-86.8143.700113.8H301H301-E303 VanDerWaalsContact C-N 3.27Å; H301-E303 PolarHBondContact O-N 3.43Å
304L45.1Very low41.5Very low139 Ų139118.8 Ų118.873%0.72869%0.692SS**SBendtrans-87.4-8.4-178.7-81.4168.2000114.2
305F53.3Low42.2Very low56 Ų56111.8 Ų111.825%0.24669%0.692CS.*  trans-120.37-169.5-64.8-71.3000115.1H301 L307 M331 Y376H301-F305 WeakPolarHBondContact O-CD2 3.42Å; F305-L307 PolarHBondContact O-N 2.88Å; F305-M331 HydrophobicContact CB-CE 4.25Å; F305-M331 HydrophobicContact CG-CE 4.35Å; F305-Y376 HydrophobicContact CD1-CE1 4Å; F305-Y376 HydrophobicContact CE1-CD1 4.33Å; F305-Y376 AromaticContact CE1-CE1 3.91Å; F305-Y376 HydrophobicContact CE1-CE1 3.91Å
306S42.9Very low43.2Very low92 Ų92111.8 Ų111.864%0.64368%0.684SS**PPolyproline II helixtrans-61.6118.3175.4-59.80000111.5
307L46.6Very low44.5Very low105 Ų105105.5 Ų105.555%0.5566%0.655SS.*PPolyproline II helixtrans-74.3142.8171.9-68.9165.6000109.9F305F305-L307 PolarHBondContact O-N 2.88Å
308P37.8Very low46.9Very low98 Ų98104.2 Ų104.264%0.63665%0.646SS**PPolyproline II helixtrans-64.2140.8159.4-9.224.4000108.9A310P308-A310 PolarHBondContact O-N 2.74Å
309P40.6Very low49.3Very low118 Ų11899.9 Ų99.977%0.76661%0.612SS**PPolyproline II helixtrans-59.2138.2175.324.6-31.5000110S311P309-S311 PolarHBondContact O-N 2.87Å
310A45Very low51.6Low98 Ų9898 Ų9881%0.8160%0.595SS**SBendtrans-46.198.9172.200000111.3P308P308-A310 PolarHBondContact O-N 2.74Å
311S44.2Very low54Low94 Ų9496.6 Ų96.666%0.65759%0.588SS**  trans-164.173167.6-83.60000111.2P309P309-S311 PolarHBondContact O-N 2.87Å
312L37.3Very low56.1Low168 Ų16896 Ų9688%0.8859%0.585SS**  trans-138.398.2137.4-74.4-177.4000107.3G314L312-G314 PolarHBondContact O-N 2.83Å
313I49Very low58Low179 Ų17992.4 Ų92.492%0.91856%0.56SS**  trans-63.8113.1178.2-66.1165.9000108
314G39.8Very low59.9Low49 Ų4985.8 Ų85.851%0.50553%0.534SS..  trans174.987.7176.100000114.5L312 D316L312-G314 PolarHBondContact O-N 2.83Å; G314-D316 PolarHBondContact O-N 2.92Å
315G49.4Very low61.9Low83 Ų8384.6 Ų84.686%0.85653%0.528SS*.SBendtrans72.1-59.3147.800000119.8
316D53.5Low63.6Low102 Ų10285 Ų8555%0.54553%0.531SS..  trans-133.354.4-160.4-76.1-42000112.6G314 Y319G314-D316 PolarHBondContact O-N 2.92Å; D316-Y319 WeakPolarHBondContact O-CE1 3.34Å
317A66.2Low65.9Low35 Ų3581.2 Ų81.229%0.28950%0.503SS..  trans-104.715.4175.100000113.1Y319 L320 N321A317-Y319 PolarHBondContact O-N 3.21Å; A317-L320 HydrophobicContact CB-CD1 4.3Å; A317-L320 PolarHBondContact O-N 3.37Å; A317-N321 PolarHBondContact O-N 3.22Å; A317-N321 VanDerWaalsContact O-N 3.08Å; A317-N321 PolarHBondContact O-ND2 3.32Å
318S82.1Confident67.9Low88 Ų8879.4 Ų79.462%0.61550%0.497SS*.Hα-helixtrans-61.4-44.4-175.554.30000112.4L320 N321 Q322S318-L320 VanDerWaalsContact C-N 3.33Å; S318-L320 PolarHBondContact O-N 3.07Å; S318-N321 PolarHBondContact O-N 2.88Å; S318-Q322 WeakPolarHBondContact O-CB 3.32Å; S318-Q322 PolarHBondContact O-N 3.01Å
319Y86.3Confident70.3Confident23 Ų2375.8 Ų75.89%0.0948%0.475CS..Hα-helixtrans-66.5-33.3176.972.5-84.4000112.4D316 A317 Q322 A323 I352 D360D316-Y319 WeakPolarHBondContact O-CE1 3.34Å; A317-Y319 PolarHBondContact O-N 3.21Å; Y319-Q322 PolarHBondContact O-N 3.04Å; Y319-A323 VanDerWaalsContact O-CB 3.25Å; Y319-A323 WeakPolarHBondContact O-CB 3.43Å; Y319-A323 PolarHBondContact O-N 3.33Å; Y319-I352 WeakPolarHBondContact O-CG2 3.19Å; Y319-D360 PolarHBondContact OH-OD2 3.37Å
320L86.9Confident72.7Confident46 Ų4670.2 Ų70.224%0.24144%0.439CS..Hα-helixtrans-66.9-43.2176.4-64.6176.8000111.4A317 S318 A324 L353 V369A317-L320 HydrophobicContact CB-CD1 4.3Å; A317-L320 PolarHBondContact O-N 3.37Å; S318-L320 VanDerWaalsContact C-N 3.33Å; S318-L320 PolarHBondContact O-N 3.07Å; L320-A324 VanDerWaalsContact O-CB 3.24Å; L320-A324 WeakPolarHBondContact O-CB 3.16Å; L320-A324 PolarHBondContact O-N 3.42Å; L320-L353 HydrophobicContact CD2-CD2 4.1Å; L320-V369 HydrophobicContact CD2-CG2 3.61Å
321N85.6Confident74.7Confident94 Ų9469 Ų6950%0.50342%0.417SS..Hα-helixtrans-66.6-40.6175.7-70.6-65.7000111.3A317 S318 A324 N325A317-N321 PolarHBondContact O-N 3.22Å; A317-N321 VanDerWaalsContact O-N 3.08Å; A317-N321 PolarHBondContact O-ND2 3.32Å; S318-N321 PolarHBondContact O-N 2.88Å; N321-A324 PolarHBondContact O-N 3.27Å; N321-N325 PolarHBondContact O-N 2.86Å; N321-N325 PolarHBondContact O-ND2 2.66Å
322Q87.7Confident76.8Confident107 Ų10770 Ų7050%0.541%0.412SS..Hα-helixtrans-64-46177-167.7-175.9-11.700111.6S318 Y319 N325 E326 I352S318-Q322 WeakPolarHBondContact O-CB 3.32Å; S318-Q322 PolarHBondContact O-N 3.01Å; Y319-Q322 PolarHBondContact O-N 3.04Å; Q322-N325 PolarHBondContact O-N 2.88Å; Q322-E326 PolarHBondContact O-N 3.26Å; Q322-E326 VanDerWaalsContact O-N 3.11Å; Q322-I352 HydrophobicContact CB-CG2 4.24Å; Q322-I352 HydrophobicContact CG-CD1 3.96Å; Q322-I352 HydrophobicContact CG-CG2 4.46Å
323A90.5Very high79.2Confident1 Ų165.8 Ų65.81%0.00838%0.384CS..Hα-helixtrans-63.8-40.6175.500000112.1Y319 N325 E326 L327 I352 L353Y319-A323 VanDerWaalsContact O-CB 3.25Å; Y319-A323 WeakPolarHBondContact O-CB 3.43Å; Y319-A323 PolarHBondContact O-N 3.33Å; A323-N325 VanDerWaalsContact C-N 3.33Å; A323-N325 PolarHBondContact O-N 3.34Å; A323-E326 PolarHBondContact O-N 3.23Å; A323-L327 WeakPolarHBondContact O-CB 3.38Å; A323-L327 VanDerWaalsContact O-CG 3.29Å; A323-L327 WeakPolarHBondContact O-CG 3.43Å; A323-L327 PolarHBondContact O-N 3.28Å; A323-I352 HydrophobicContact CB-CB 4.27Å; A323-I352 HydrophobicContact CB-CG2 3.94Å; A323-L353 HydrophobicContact CB-CD1 4.41Å; A323-L353 HydrophobicContact CB-CD2 3.41Å; A323-L353 VanDerWaalsContact CB-CD2 3.41Å; A323-L353 HydrophobicContact CB-CG 3.61Å
324A87.5Confident81Confident27 Ų2759.9 Ų59.922%0.22335%0.353CS..Hα-helixtrans-60-44.3176.700000111.5L320 N321 E326 L327 T328L320-A324 VanDerWaalsContact O-CB 3.24Å; L320-A324 WeakPolarHBondContact O-CB 3.16Å; L320-A324 PolarHBondContact O-N 3.42Å; N321-A324 PolarHBondContact O-N 3.27Å; A324-E326 PolarHBondContact O-N 3.32Å; A324-L327 PolarHBondContact O-N 3.16Å; A324-T328 PolarHBondContact O-N 2.81Å; A324-T328 PolarHBondContact O-OG1 3.36Å; A324-T328 VanDerWaalsContact O-OG1 3.05Å
325N87.6Confident83.3Confident114 Ų11466.8 Ų66.861%0.6137%0.369SS*.Hα-helixtrans-62.4-43.7177-67.1-20000112.1N321 Q322 A323 L327 T328 A329N321-N325 PolarHBondContact O-N 2.86Å; N321-N325 PolarHBondContact O-ND2 2.66Å; Q322-N325 PolarHBondContact O-N 2.88Å; A323-N325 VanDerWaalsContact C-N 3.33Å; A323-N325 PolarHBondContact O-N 3.34Å; N325-L327 VanDerWaalsContact C-N 3.35Å; N325-T328 PolarHBondContact O-N 3.22Å; N325-A329 WeakPolarHBondContact O-CB 3.5Å; N325-A329 PolarHBondContact O-N 3.24Å
326E89.4Confident85.1Confident63 Ų6369.4 Ų69.429%0.29436%0.358SS..Hα-helixtrans-66-36.3177.5-73-63.616800112.5Q322 A323 A324 A330 T348 A349 I352Q322-E326 PolarHBondContact O-N 3.26Å; Q322-E326 VanDerWaalsContact O-N 3.11Å; A323-E326 PolarHBondContact O-N 3.23Å; A324-E326 PolarHBondContact O-N 3.32Å; E326-A330 WeakPolarHBondContact O-CB 3.5Å; E326-A330 PolarHBondContact O-N 3.15Å; E326-T348 HydrophobicContact CG-CG2 4.46Å; E326-A349 HydrophobicContact CB-CB 3.9Å; E326-I352 HydrophobicContact CG-CD1 3.95Å
327L90.5Very high86.5Confident13 Ų1366.4 Ų66.47%0.06835%0.352CS..Hα-helixtrans-65.2-47.8173.9-73.5167.3000111.5A323 A324 N325 A329 A330 M331 Y346 A349 Y376A323-L327 WeakPolarHBondContact O-CB 3.38Å; A323-L327 VanDerWaalsContact O-CG 3.29Å; A323-L327 WeakPolarHBondContact O-CG 3.43Å; A323-L327 PolarHBondContact O-N 3.28Å; A324-L327 PolarHBondContact O-N 3.16Å; N325-L327 VanDerWaalsContact C-N 3.35Å; L327-A329 VanDerWaalsContact C-N 3.3Å; L327-A329 PolarHBondContact O-N 3.14Å; L327-A330 WeakPolarHBondContact O-CB 3.48Å; L327-A330 PolarHBondContact O-N 2.9Å; L327-A330 VanDerWaalsContact O-N 3.11Å; L327-M331 VanDerWaalsContact O-CG 3.29Å; L327-M331 WeakPolarHBondContact O-CG 3.27Å; L327-M331 PolarHBondContact O-N 3.2Å; L327-Y346 HydrophobicContact CD2-CD1 3.78Å; L327-Y346 HydrophobicContact CD2-CE1 4.12Å; L327-A349 HydrophobicContact CD2-CB 3.62Å; L327-A349 HydrophobicContact CG-CB 3.58Å; L327-Y376 HydrophobicContact CD1-CD2 4.03Å; L327-Y376 HydrophobicContact CD1-CE1 4.04Å; L327-Y376 HydrophobicContact CD1-CE2 3.47Å; L327-Y376 VanDerWaalsContact CD1-CE2 3.47Å; L327-Y376 VanDerWaalsContact CD1-CZ 3.5Å; L327-Y376 HydrophobicContact CD2-CD1 3.73Å; L327-Y376 HydrophobicContact CD2-CD2 4.15Å; L327-Y376 HydrophobicContact CD2-CE1 3.89Å; L327-Y376 HydrophobicContact CD2-CE2 4.29Å; L327-Y376 HydrophobicContact CD2-CG 3.89Å
328T89.1Confident87.5Confident68 Ų6869.5 Ų69.542%0.41736%0.36SS..Hα-helixtrans-58.8-44.6177.1-57.70000110.8A324 N325 A330 M331 E332A324-T328 PolarHBondContact O-N 2.81Å; A324-T328 PolarHBondContact O-OG1 3.36Å; A324-T328 VanDerWaalsContact O-OG1 3.05Å; N325-T328 PolarHBondContact O-N 3.22Å; T328-A330 VanDerWaalsContact C-N 3.33Å; T328-A330 PolarHBondContact O-N 2.86Å; T328-M331 PolarHBondContact O-N 3.3Å; T328-E332 WeakPolarHBondContact O-CG 3.33Å; T328-E332 PolarHBondContact O-N 2.96Å
329A89.1Confident87.6Confident22 Ų2268.5 Ų68.518%0.18235%0.345CS..Hα-helixtrans-66.1-32.9176.300000112.8N325 L327 R333N325-A329 WeakPolarHBondContact O-CB 3.5Å; N325-A329 PolarHBondContact O-N 3.24Å; L327-A329 VanDerWaalsContact C-N 3.3Å; L327-A329 PolarHBondContact O-N 3.14Å; A329-R333 VanDerWaalsContact O-CG 3.31Å; A329-R333 WeakPolarHBondContact O-CG 3.46Å; A329-R333 PolarHBondContact O-N 3.1Å; A329-R333 PolarHBondContact O-NH1 3.12Å
330A89.9Confident87.5Confident0 Ų069.9 Ų69.90%037%0.366CS..Hα-helixtrans-66.6-41.1174.600000111.5E326 L327 T328 R333 E334 A342 Y346E326-A330 WeakPolarHBondContact O-CB 3.5Å; E326-A330 PolarHBondContact O-N 3.15Å; L327-A330 WeakPolarHBondContact O-CB 3.48Å; L327-A330 PolarHBondContact O-N 2.9Å; L327-A330 VanDerWaalsContact O-N 3.11Å; T328-A330 VanDerWaalsContact C-N 3.33Å; T328-A330 PolarHBondContact O-N 2.86Å; A330-R333 PolarHBondContact O-N 3.04Å; A330-E334 PolarHBondContact O-N 3.03Å; A330-A342 WeakPolarHBondContact O-CB 3.08Å; A330-Y346 HydrophobicContact CB-CD1 3.91Å; A330-Y346 HydrophobicContact CB-CD2 4.03Å; A330-Y346 HydrophobicContact CB-CE1 3.92Å; A330-Y346 HydrophobicContact CB-CE2 4.06Å; A330-Y346 HydrophobicContact CB-CG 3.95Å
331M87.5Confident87.4Confident74 Ų7468.9 Ų68.937%0.36536%0.363SS..Hα-helixtrans-66.6-40178-67.8173.273.300112.5F305 L327 T328 R333 E334 K335 Y346F305-M331 HydrophobicContact CB-CE 4.25Å; F305-M331 HydrophobicContact CG-CE 4.35Å; L327-M331 VanDerWaalsContact O-CG 3.29Å; L327-M331 WeakPolarHBondContact O-CG 3.27Å; L327-M331 PolarHBondContact O-N 3.2Å; T328-M331 PolarHBondContact O-N 3.3Å; M331-R333 VanDerWaalsContact C-N 3.32Å; M331-R333 PolarHBondContact O-N 3.41Å; M331-E334 WeakPolarHBondContact O-CB 3.36Å; M331-E334 PolarHBondContact O-N 3.43Å; M331-K335 PolarHBondContact O-N 3.26Å; M331-Y346 HydrophobicContact CG-CE1 4.31Å; M331-Y346 VanDerWaalsContact CG-OH 3.27Å; M331-Y346 WeakPolarHBondContact CG-OH 3.3Å
332E88.4Confident87.5Confident115 Ų11564.4 Ų64.454%0.53734%0.339SS..Hα-helixtrans-61.6-42.3175.2-73.3179165.100111.3T328 E334 K335 E336T328-E332 WeakPolarHBondContact O-CG 3.33Å; T328-E332 PolarHBondContact O-N 2.96Å; E332-E334 VanDerWaalsContact C-N 3.35Å; E332-E334 PolarHBondContact O-N 2.64Å; E332-K335 WeakPolarHBondContact O-CB 3.38Å; E332-K335 PolarHBondContact O-N 2.73Å; E332-E336 WeakPolarHBondContact O-CG 3.38Å; E332-E336 PolarHBondContact O-N 3.06Å
333R88.1Confident87.4Confident78 Ų7860.6 Ų60.629%0.29432%0.322SS..Hα-helixtrans-68.4-33176.8-66.7-177.6-158.9103.1-7113.1A329 A330 M331 K335 E336 G337 E338 A342A329-R333 VanDerWaalsContact O-CG 3.31Å; A329-R333 WeakPolarHBondContact O-CG 3.46Å; A329-R333 PolarHBondContact O-N 3.1Å; A329-R333 PolarHBondContact O-NH1 3.12Å; A330-R333 PolarHBondContact O-N 3.04Å; M331-R333 VanDerWaalsContact C-N 3.32Å; M331-R333 PolarHBondContact O-N 3.41Å; R333-K335 VanDerWaalsContact C-N 3.35Å; R333-E336 PolarHBondContact O-N 2.98Å; R333-G337 PolarHBondContact O-N 3.34Å; R333-E338 HydrophobicContact CB-CB 4.36Å; R333-E338 PolarHBondContact O-N 3.2Å; R333-A342 HydrophobicContact CB-CB 4.23Å
334E86.3Confident87.3Confident56 Ų5667.3 Ų67.326%0.26235%0.347SS..Hα-helixtrans-62-44.2170.6179177.116500110.8A330 M331 E332 E336 G337 F339 A342 Y346 H379 L383A330-E334 PolarHBondContact O-N 3.03Å; M331-E334 WeakPolarHBondContact O-CB 3.36Å; M331-E334 PolarHBondContact O-N 3.43Å; E332-E334 VanDerWaalsContact C-N 3.35Å; E332-E334 PolarHBondContact O-N 2.64Å; E334-E336 VanDerWaalsContact C-N 3.3Å; E334-E336 PolarHBondContact O-N 3.44Å; E334-G337 PolarHBondContact O-N 3.15Å; E334-F339 HydrophobicContact CG-CE1 4.35Å; E334-A342 HydrophobicContact CB-CB 4.01Å; E334-Y346 WeakPolarHBondContact OE2-CE2 3.28Å; E334-Y346 PolarHBondContact OE2-OH 3.43Å; E334-H379 IonicContact OE1-CE1 3.91Å; E334-H379 PolarHBondContact OE1-CE1 3.31Å; E334-H379 IonicContact OE1-NE2 2.94Å; E334-H379 PolarHBondContact OE1-NE2 3.19Å; E334-H379 IonicContact OE2-CD2 3.73Å; E334-H379 IonicContact OE2-CE1 3.87Å; E334-H379 IonicContact OE2-NE2 3.5Å; E334-H379 PolarHBondContact OE2-NE2 3.04Å; E334-L383 VanDerWaalsContact CD-CD1 3.4Å; E334-L383 HydrophobicContact CG-CD1 3.77Å
335K86.8Confident87.2Confident194 Ų19466.2 Ų66.284%0.84334%0.338SS*.Hα-helixtrans-64.4-33175.9-176.4-177.8176.4-176.20112.9M331 E332 R333 G337M331-K335 PolarHBondContact O-N 3.26Å; E332-K335 WeakPolarHBondContact O-CB 3.38Å; E332-K335 PolarHBondContact O-N 2.73Å; R333-K335 VanDerWaalsContact C-N 3.35Å; K335-G337 PolarHBondContact O-N 3.39Å
336E87.7Confident87.2Confident137 Ų13761 Ų6164%0.6431%0.31SS*.THydrogen-bonded Turntrans-78-5.2175.5-69.1171.5172.300113.1E332 R333 E334 E338E332-E336 WeakPolarHBondContact O-CG 3.38Å; E332-E336 PolarHBondContact O-N 3.06Å; R333-E336 PolarHBondContact O-N 2.98Å; E334-E336 VanDerWaalsContact C-N 3.3Å; E334-E336 PolarHBondContact O-N 3.44Å; E336-E338 VanDerWaalsContact C-N 3.3Å
337G83.4Confident87.2Confident39 Ų3965.7 Ų65.740%0.40233%0.325SS..THydrogen-bonded Turntrans79.39.1-178.900000114.1R333 E334 K335 F339R333-G337 PolarHBondContact O-N 3.34Å; E334-G337 PolarHBondContact O-N 3.15Å; K335-G337 PolarHBondContact O-N 3.39Å; G337-F339 VanDerWaalsContact C-N 3.27Å; G337-F339 WeakPolarHBondContact O-CD2 3.37Å; G337-F339 WeakPolarHBondContact O-CE2 3.32Å; G337-F339 PolarHBondContact O-N 3.4Å; G337-F339 VanDerWaalsContact O-N 3.09Å
338E87.4Confident87.2Confident100 Ų10067.8 Ų67.847%0.46734%0.339SS..  trans-85.363.1176.3-68.7-164.9-162.400111.8R333 E336 G340 S341 A342R333-E338 HydrophobicContact CB-CB 4.36Å; R333-E338 PolarHBondContact O-N 3.2Å; E336-E338 VanDerWaalsContact C-N 3.3Å; E338-G340 VanDerWaalsContact C-N 3.28Å; E338-G340 PolarHBondContact O-N 2.62Å; E338-S341 PolarHBondContact O-N 3.25Å; E338-S341 PolarHBondContact OE2-OG 3.28Å; E338-A342 PolarHBondContact O-N 2.86Å
339F84.3Confident87.2Confident68 Ų6864.6 Ų64.630%0.29832%0.319SS..Hα-helixtrans-57-37.8-173.8-57.7-68.3000113.6E334 G337 S341 A342 I343 L383 H387E334-F339 HydrophobicContact CG-CE1 4.35Å; G337-F339 VanDerWaalsContact C-N 3.27Å; G337-F339 WeakPolarHBondContact O-CD2 3.37Å; G337-F339 WeakPolarHBondContact O-CE2 3.32Å; G337-F339 PolarHBondContact O-N 3.4Å; G337-F339 VanDerWaalsContact O-N 3.09Å; F339-S341 VanDerWaalsContact C-N 3.29Å; F339-S341 PolarHBondContact O-N 3.01Å; F339-A342 PolarHBondContact O-N 3.15Å; F339-I343 WeakPolarHBondContact O-CD1 3.28Å; F339-I343 VanDerWaalsContact O-CG1 3.22Å; F339-I343 WeakPolarHBondContact O-CG1 3.37Å; F339-I343 PolarHBondContact O-N 3.21Å; F339-L383 HydrophobicContact CB-CD2 4.03Å; F339-L383 HydrophobicContact CD1-CD1 4.23Å; F339-L383 HydrophobicContact CD1-CD2 4.07Å; F339-L383 HydrophobicContact CD1-CG 4.2Å; F339-H387 AromaticContact CD1-CD2 3.6Å; F339-H387 AromaticContact CD1-CE1 3.97Å; F339-H387 AromaticContact CD1-NE2 3.22Å; F339-H387 WeakPolarHBondContact CD1-NE2 3.49Å; F339-H387 AromaticContact CD2-CD2 3.92Å; F339-H387 AromaticContact CD2-CE1 3.49Å; F339-H387 VanDerWaalsContact CD2-CE1 3.49Å; F339-H387 WeakPolarHBondContact CD2-CE1 3.36Å; F339-H387 AromaticContact CD2-ND1 3.81Å; F339-H387 AromaticContact CD2-NE2 3.57Å; F339-H387 AromaticContact CE1-CE1 3.87Å; F339-H387 AromaticContact CE1-NE2 3.28Å; F339-H387 VanDerWaalsContact CE1-NE2 3.28Å; F339-H387 WeakPolarHBondContact CE1-NE2 3.36Å; F339-H387 AromaticContact CE2-CE1 3.37Å; F339-H387 WeakPolarHBondContact CE2-CE1 3.44Å; F339-H387 AromaticContact CE2-NE2 3.64Å; F339-H387 AromaticContact CG-CD2 3.46Å; F339-H387 VanDerWaalsContact CG-CD2 3.46Å; F339-H387 WeakPolarHBondContact CG-CD2 2.83Å; F339-H387 AromaticContact CG-CE1 3.79Å; F339-H387 AromaticContact CG-CG 3.97Å; F339-H387 AromaticContact CG-NE2 3.36Å; F339-H387 WeakPolarHBondContact CG-NE2 3.37Å; F339-H387 AromaticContact CZ-CE1 3.57Å; F339-H387 AromaticContact CZ-NE2 3.49Å; F339-H387 WeakPolarHBondContact CZ-NE2 3.3Å
340G83.9Confident87.3Confident52 Ų5264 Ų6454%0.53631%0.313SS..Hα-helixtrans-63-33.7176.700000113.7E338 R344E338-G340 VanDerWaalsContact C-N 3.28Å; E338-G340 PolarHBondContact O-N 2.62Å; G340-R344 PolarHBondContact O-NH1 2.99Å
341S85.3Confident87.2Confident25 Ų2568.8 Ų68.818%0.17534%0.338CS..Hα-helixtrans-80.2-35.4174.5-65.10000112E338 F339 R344 G345E338-S341 PolarHBondContact O-N 3.25Å; E338-S341 PolarHBondContact OE2-OG 3.28Å; F339-S341 VanDerWaalsContact C-N 3.29Å; F339-S341 PolarHBondContact O-N 3.01Å; S341-R344 PolarHBondContact O-N 3.14Å; S341-R344 PolarHBondContact OG-NH2 3.36Å; S341-G345 PolarHBondContact O-N 3.2Å
342A87.1Confident87.2Confident0 Ų066.3 Ų66.30%033%0.326CS..Hα-helixtrans-61.4-48.8173.800000112.1A330 R333 E334 E338 F339 R344 G345 Y346A330-A342 WeakPolarHBondContact O-CB 3.08Å; R333-A342 HydrophobicContact CB-CB 4.23Å; E334-A342 HydrophobicContact CB-CB 4.01Å; E338-A342 PolarHBondContact O-N 2.86Å; F339-A342 PolarHBondContact O-N 3.15Å; A342-R344 VanDerWaalsContact C-N 3.28Å; A342-R344 PolarHBondContact O-N 3.43Å; A342-G345 WeakPolarHBondContact O-CA 3.34Å; A342-G345 PolarHBondContact O-N 3.46Å; A342-Y346 HydrophobicContact CB-CE2 4.33Å; A342-Y346 WeakPolarHBondContact O-CD2 3.21Å; A342-Y346 PolarHBondContact O-N 2.93Å
343I86.6Confident87.2Confident27 Ų2761.3 Ų61.314%0.13830%0.304CS..Hα-helixtrans-56.9-43.8177.7-65160.4000110.9F339 G345 Y346 R347 L383 V384F339-I343 WeakPolarHBondContact O-CD1 3.28Å; F339-I343 VanDerWaalsContact O-CG1 3.22Å; F339-I343 WeakPolarHBondContact O-CG1 3.37Å; F339-I343 PolarHBondContact O-N 3.21Å; I343-G345 VanDerWaalsContact C-N 3.35Å; I343-Y346 PolarHBondContact O-N 2.91Å; I343-R347 WeakPolarHBondContact O-CG 3.4Å; I343-R347 PolarHBondContact O-N 2.98Å; I343-L383 HydrophobicContact CD1-CD2 3.77Å; I343-L383 HydrophobicContact CG1-CD2 3.26Å; I343-V384 HydrophobicContact CD1-CG2 3.7Å; I343-V384 HydrophobicContact CG1-CG2 3.99Å; I343-V384 HydrophobicContact CG2-CG2 3.84Å
344R86.9Confident87.3Confident141 Ų14160.9 Ų60.953%0.53231%0.306SS..Hα-helixtrans-65.2-39.6178.2-175.6175.459.3-97.4-2111.6G340 S341 A342 R347 T348G340-R344 PolarHBondContact O-NH1 2.99Å; S341-R344 PolarHBondContact O-N 3.14Å; S341-R344 PolarHBondContact OG-NH2 3.36Å; A342-R344 VanDerWaalsContact C-N 3.28Å; A342-R344 PolarHBondContact O-N 3.43Å; R344-R347 PolarHBondContact O-N 3.19Å; R344-T348 WeakPolarHBondContact O-CB 3.38Å; R344-T348 PolarHBondContact O-N 3.13Å; R344-T348 PolarHBondContact O-OG1 3.5Å
345G85.9Confident87.3Confident4 Ų462.2 Ų62.24%0.04132%0.318CS..Hα-helixtrans-61.2-48.5173.300000112.2S341 A342 I343 R347 T348 A349S341-G345 PolarHBondContact O-N 3.2Å; A342-G345 WeakPolarHBondContact O-CA 3.34Å; A342-G345 PolarHBondContact O-N 3.46Å; I343-G345 VanDerWaalsContact C-N 3.35Å; G345-R347 PolarHBondContact O-N 2.77Å; G345-T348 PolarHBondContact O-N 3.2Å; G345-A349 PolarHBondContact O-N 3.2Å
346Y88.2Confident87.2Confident4 Ų453.7 Ų53.72%0.01629%0.286CS..Hα-helixtrans-60.2-42.4176.4-73.6-60.1000112.6L327 A330 M331 E334 A342 I343 A349 V350 H379 L383L327-Y346 HydrophobicContact CD2-CD1 3.78Å; L327-Y346 HydrophobicContact CD2-CE1 4.12Å; A330-Y346 HydrophobicContact CB-CD1 3.91Å; A330-Y346 HydrophobicContact CB-CD2 4.03Å; A330-Y346 HydrophobicContact CB-CE1 3.92Å; A330-Y346 HydrophobicContact CB-CE2 4.06Å; A330-Y346 HydrophobicContact CB-CG 3.95Å; M331-Y346 HydrophobicContact CG-CE1 4.31Å; M331-Y346 VanDerWaalsContact CG-OH 3.27Å; M331-Y346 WeakPolarHBondContact CG-OH 3.3Å; E334-Y346 WeakPolarHBondContact OE2-CE2 3.28Å; E334-Y346 PolarHBondContact OE2-OH 3.43Å; A342-Y346 HydrophobicContact CB-CE2 4.33Å; A342-Y346 WeakPolarHBondContact O-CD2 3.21Å; A342-Y346 PolarHBondContact O-N 2.93Å; I343-Y346 PolarHBondContact O-N 2.91Å; Y346-A349 PolarHBondContact O-N 3.4Å; Y346-V350 WeakPolarHBondContact O-CB 3.44Å; Y346-V350 VanDerWaalsContact O-CG2 3.29Å; Y346-V350 WeakPolarHBondContact O-CG2 3.35Å; Y346-V350 PolarHBondContact O-N 2.8Å; Y346-H379 AromaticContact CE2-CD2 3.8Å; Y346-H379 AromaticContact CZ-CD2 3.58Å; Y346-H379 AromaticContact CZ-NE2 3.9Å; Y346-H379 PolarHBondContact OH-NE2 3.03Å; Y346-L383 HydrophobicContact CE2-CD1 4.45Å
347R89.3Confident87.1Confident163 Ų16347.7 Ų47.762%0.61526%0.258SS*.Hα-helixtrans-61.4-44175.2-74.7177.8-179.9-165.40.2112.3I343 R344 G345 V350 D351I343-R347 WeakPolarHBondContact O-CG 3.4Å; I343-R347 PolarHBondContact O-N 2.98Å; R344-R347 PolarHBondContact O-N 3.19Å; G345-R347 PolarHBondContact O-N 2.77Å; R347-V350 PolarHBondContact O-N 2.68Å; R347-D351 PolarHBondContact O-N 3.09Å
348T89.7Confident86.9Confident57 Ų5752.6 Ų52.635%0.3527%0.271SS..Hα-helixtrans-65.5-44-179.9-53.20000110.9E326 R344 G345 V350 D351 I352E326-T348 HydrophobicContact CG-CG2 4.46Å; R344-T348 WeakPolarHBondContact O-CB 3.38Å; R344-T348 PolarHBondContact O-N 3.13Å; R344-T348 PolarHBondContact O-OG1 3.5Å; G345-T348 PolarHBondContact O-N 3.2Å; T348-V350 VanDerWaalsContact C-N 3.34Å; T348-V350 PolarHBondContact O-N 2.75Å; T348-D351 PolarHBondContact O-N 3.17Å; T348-I352 HydrophobicContact CG2-CD1 4.11Å; T348-I352 WeakPolarHBondContact O-CD1 3.39Å; T348-I352 VanDerWaalsContact O-CG1 3.31Å; T348-I352 WeakPolarHBondContact O-CG1 3.25Å; T348-I352 PolarHBondContact O-N 3.49Å
349A89.7Confident86.3Confident0 Ų050.9 Ų50.90%028%0.28CS..Hα-helixtrans-59.8-43.9174.900000112.5E326 L327 G345 Y346 I352 L353E326-A349 HydrophobicContact CB-CB 3.9Å; L327-A349 HydrophobicContact CD2-CB 3.62Å; L327-A349 HydrophobicContact CG-CB 3.58Å; G345-A349 PolarHBondContact O-N 3.2Å; Y346-A349 PolarHBondContact O-N 3.4Å; A349-I352 PolarHBondContact O-N 3.19Å; A349-L353 WeakPolarHBondContact O-CG 3.47Å; A349-L353 PolarHBondContact O-N 2.94Å
350V90.3Very high86.1Confident10 Ų1048.2 Ų48.26%0.06127%0.269CS..Hα-helixtrans-62.4-42.3176.9164.90000111.4Y346 R347 T348 I352 L353 I354 T373 L377Y346-V350 WeakPolarHBondContact O-CB 3.44Å; Y346-V350 VanDerWaalsContact O-CG2 3.29Å; Y346-V350 WeakPolarHBondContact O-CG2 3.35Å; Y346-V350 PolarHBondContact O-N 2.8Å; R347-V350 PolarHBondContact O-N 2.68Å; T348-V350 VanDerWaalsContact C-N 3.34Å; T348-V350 PolarHBondContact O-N 2.75Å; V350-I352 VanDerWaalsContact C-N 3.34Å; V350-I352 PolarHBondContact O-N 3.11Å; V350-L353 PolarHBondContact O-N 2.81Å; V350-I354 HydrophobicContact CG1-CD1 3.57Å; V350-I354 HydrophobicContact CG1-CG1 4.24Å; V350-I354 VanDerWaalsContact O-CG1 3.29Å; V350-I354 WeakPolarHBondContact O-CG1 3.39Å; V350-I354 PolarHBondContact O-N 3.44Å; V350-T373 HydrophobicContact CB-CG2 4.29Å; V350-T373 HydrophobicContact CG1-CG2 3.65Å; V350-T373 HydrophobicContact CG2-CG2 4.15Å; V350-L377 HydrophobicContact CG1-CD1 4.29Å; V350-L377 HydrophobicContact CG1-CD2 3.93Å; V350-L377 HydrophobicContact CG1-CG 4.06Å; V350-L377 HydrophobicContact CG2-CD2 4.22Å; V350-L377 HydrophobicContact CG2-CG 4.15Å
351D88.1Confident85.6Confident100 Ų10050.5 Ų50.554%0.53527%0.274SS..Hα-helixtrans-61.7-41.6177.5-172.352.9000112.1R347 T348 I354 T355R347-D351 PolarHBondContact O-N 3.09Å; T348-D351 PolarHBondContact O-N 3.17Å; D351-I354 PolarHBondContact O-N 2.91Å; D351-T355 VanDerWaalsContact O-CB 3.25Å; D351-T355 WeakPolarHBondContact O-CB 3.42Å; D351-T355 PolarHBondContact O-N 2.9Å; D351-T355 PolarHBondContact O-OG1 3.39Å
352I88.4Confident85.2Confident22 Ų2252.3 Ų52.311%0.11328%0.282CS..Hα-helixtrans-63.8-42.6174.7-65159.7000110.9Y319 Q322 A323 E326 T348 A349 V350 G356Y319-I352 WeakPolarHBondContact O-CG2 3.19Å; Q322-I352 HydrophobicContact CB-CG2 4.24Å; Q322-I352 HydrophobicContact CG-CD1 3.96Å; Q322-I352 HydrophobicContact CG-CG2 4.46Å; A323-I352 HydrophobicContact CB-CB 4.27Å; A323-I352 HydrophobicContact CB-CG2 3.94Å; E326-I352 HydrophobicContact CG-CD1 3.95Å; T348-I352 HydrophobicContact CG2-CD1 4.11Å; T348-I352 WeakPolarHBondContact O-CD1 3.39Å; T348-I352 VanDerWaalsContact O-CG1 3.31Å; T348-I352 WeakPolarHBondContact O-CG1 3.25Å; T348-I352 PolarHBondContact O-N 3.49Å; A349-I352 PolarHBondContact O-N 3.19Å; V350-I352 VanDerWaalsContact C-N 3.34Å; V350-I352 PolarHBondContact O-N 3.11Å; I352-G356 PolarHBondContact O-N 2.79Å
353L88.4Confident84.6Confident11 Ų1156 Ų566%0.05831%0.307CS..Hα-helixtrans-64-46.5177.4-69.3173.1000111.3L320 A323 A349 V350 V357 V369 Y376L320-L353 HydrophobicContact CD2-CD2 4.1Å; A323-L353 HydrophobicContact CB-CD1 4.41Å; A323-L353 HydrophobicContact CB-CD2 3.41Å; A323-L353 VanDerWaalsContact CB-CD2 3.41Å; A323-L353 HydrophobicContact CB-CG 3.61Å; A349-L353 WeakPolarHBondContact O-CG 3.47Å; A349-L353 PolarHBondContact O-N 2.94Å; V350-L353 PolarHBondContact O-N 2.81Å; L353-V357 WeakPolarHBondContact O-CB 3.46Å; L353-V357 PolarHBondContact O-N 3.46Å; L353-V369 HydrophobicContact CB-CG1 4.08Å; L353-V369 HydrophobicContact CD2-CG1 3.93Å; L353-V369 HydrophobicContact CG-CG1 4.49Å; L353-Y376 HydrophobicContact CD1-CD2 4.25Å; L353-Y376 HydrophobicContact CD1-CE2 4.49Å
354I88.9Confident84.1Confident69 Ų6959.5 Ų59.535%0.35433%0.329SS..Hα-helixtrans-65-46.1-179.6-67.9170.4000110.8V350 D351 V357 T373V350-I354 HydrophobicContact CG1-CD1 3.57Å; V350-I354 HydrophobicContact CG1-CG1 4.24Å; V350-I354 VanDerWaalsContact O-CG1 3.29Å; V350-I354 WeakPolarHBondContact O-CG1 3.39Å; V350-I354 PolarHBondContact O-N 3.44Å; D351-I354 PolarHBondContact O-N 2.91Å; I354-V357 PolarHBondContact O-N 2.89Å; I354-T373 HydrophobicContact CD1-CG2 4.29Å; I354-T373 HydrophobicContact CG1-CG2 3.99Å
355T86.6Confident83.7Confident83 Ų8355.5 Ų55.551%0.50931%0.314SS..Hα-helixtrans-66.9-42.3-179.5-57.90000111.1D351D351-T355 VanDerWaalsContact O-CB 3.25Å; D351-T355 WeakPolarHBondContact O-CB 3.42Å; D351-T355 PolarHBondContact O-N 2.9Å; D351-T355 PolarHBondContact O-OG1 3.39Å
356G84.3Confident83.5Confident16 Ų1660.5 Ų60.517%0.16533%0.331CS..Hα-helixtrans-67.5-35.7178.600000113.5I352 Q358 G359I352-G356 PolarHBondContact O-N 2.79Å; G356-Q358 PolarHBondContact O-N 2.84Å; G356-G359 PolarHBondContact O-N 3.12Å
357V86.2Confident82.9Confident10 Ų1063.5 Ų63.56%0.06135%0.346CS..Hα-helixtrans-66.9-23.9-178.3114.70000113.9L353 I354 G359 D360 R366 V369 M370L353-V357 WeakPolarHBondContact O-CB 3.46Å; L353-V357 PolarHBondContact O-N 3.46Å; I354-V357 PolarHBondContact O-N 2.89Å; V357-G359 PolarHBondContact O-N 3.3Å; V357-D360 PolarHBondContact O-N 3.36Å; V357-R366 HydrophobicContact CB-CG 4.29Å; V357-R366 HydrophobicContact CG1-CG 3.83Å; V357-R366 HydrophobicContact CG2-CB 4.03Å; V357-R366 HydrophobicContact CG2-CG 3.72Å; V357-V369 HydrophobicContact CB-CG1 4.33Å; V357-V369 HydrophobicContact CG2-CB 3.61Å; V357-V369 HydrophobicContact CG2-CG1 3.51Å; V357-V369 HydrophobicContact CG2-CG2 4.35Å; V357-M370 HydrophobicContact CG1-CG 4Å; V357-M370 HydrophobicContact CG1-SD 4.21Å; V357-M370 HydrophobicContact CG2-CG 4.48Å
358Q78.7Confident82.4Confident142 Ų14258.9 Ų58.966%0.66434%0.338SS*.THydrogen-bonded Turntrans-66.8-28.5178.5-67.5179.212.900112.4G356G356-Q358 PolarHBondContact O-N 2.84Å
359G75.9Confident82.1Confident65 Ų6556.9 Ų56.967%0.6733%0.326SS*.THydrogen-bonded Turntrans-97.81.7178.600000114.6G356 V357 P361G356-G359 PolarHBondContact O-N 3.12Å; V357-G359 PolarHBondContact O-N 3.3Å; G359-P361 WeakPolarHBondContact O-CD 3.39Å
360D79.7Confident81.8Confident11 Ų1159.3 Ų59.36%0.05934%0.338CS..  trans-72.4121.7-175.7-165.2-20.3000111.1Y319 V357 D362 R365Y319-D360 PolarHBondContact OH-OD2 3.37Å; V357-D360 PolarHBondContact O-N 3.36Å; D360-D362 VanDerWaalsContact C-N 3.28Å; D360-D362 PolarHBondContact O-N 3.37Å; D360-D362 PolarHBondContact OD1-N 3.24Å; D360-R365 VanDerWaalsContact CG-NE 3.31Å; D360-R365 IonicContact OD1-CZ 3.27Å; D360-R365 VanDerWaalsContact OD1-CZ 3.27Å; D360-R365 IonicContact OD1-NE 3.04Å; D360-R365 PolarHBondContact OD1-NE 2.99Å; D360-R365 IonicContact OD1-NH2 2.69Å; D360-R365 PolarHBondContact OD1-NH2 3.07Å; D360-R365 WeakPolarHBondContact OD2-CB 3.48Å; D360-R365 VanDerWaalsContact OD2-CG 3.26Å; D360-R365 WeakPolarHBondContact OD2-CG 3.37Å; D360-R365 IonicContact OD2-CZ 3.71Å; D360-R365 IonicContact OD2-NE 2.82Å; D360-R365 PolarHBondContact OD2-NE 3.26Å; D360-R365 IonicContact OD2-NH2 3.76Å
361P74.6Confident81.4Confident100 Ų10063.9 Ų63.965%0.64935%0.354SS*.SBendtrans-70-20.9177.728.2-36.2000113.7G359G359-P361 WeakPolarHBondContact O-CD 3.39Å
362D75.1Confident81Confident63 Ų6362.3 Ų62.334%0.33734%0.34SS..  trans-96.8115.4-177.5179.91000111.5D360 V364 R365 R366D360-D362 VanDerWaalsContact C-N 3.28Å; D360-D362 PolarHBondContact O-N 3.37Å; D360-D362 PolarHBondContact OD1-N 3.24Å; D362-V364 VanDerWaalsContact C-N 3.29Å; D362-V364 PolarHBondContact O-N 2.8Å; D362-V364 WeakPolarHBondContact OD1-CB 3.38Å; D362-V364 PolarHBondContact OD1-N 3.39Å; D362-R365 HydrophobicContact CB-CB 3.85Å; D362-R365 PolarHBondContact O-N 3.14Å; D362-R366 PolarHBondContact O-N 3.44Å
363P74.7Confident81Confident79 Ų7961.7 Ų61.751%0.51334%0.338SS..Hα-helixtrans-64-31.7179.127-34.5000113.3E367P363-E367 PolarHBondContact O-N 3.16Å
364V76.8Confident80.8Confident100 Ų10062.9 Ų62.961%0.60635%0.349SS*.Hα-helixtrans-73-41.8-179.3-178.70000110.2D362 R366 E367 S368D362-V364 VanDerWaalsContact C-N 3.29Å; D362-V364 PolarHBondContact O-N 2.8Å; D362-V364 WeakPolarHBondContact OD1-CB 3.38Å; D362-V364 PolarHBondContact OD1-N 3.39Å; V364-R366 VanDerWaalsContact C-N 3.33Å; V364-E367 PolarHBondContact O-N 2.76Å; V364-S368 WeakPolarHBondContact O-CB 3.46Å; V364-S368 PolarHBondContact O-N 3.08Å
365R78.1Confident80.4Confident57 Ų5764.8 Ų64.822%0.21536%0.357CS..Hα-helixtrans-64.2-40.2174.7-169.5166.763.1-171.1-0.5111.2D360 D362 S368 V369D360-R365 VanDerWaalsContact CG-NE 3.31Å; D360-R365 IonicContact OD1-CZ 3.27Å; D360-R365 VanDerWaalsContact OD1-CZ 3.27Å; D360-R365 IonicContact OD1-NE 3.04Å; D360-R365 PolarHBondContact OD1-NE 2.99Å; D360-R365 IonicContact OD1-NH2 2.69Å; D360-R365 PolarHBondContact OD1-NH2 3.07Å; D360-R365 WeakPolarHBondContact OD2-CB 3.48Å; D360-R365 VanDerWaalsContact OD2-CG 3.26Å; D360-R365 WeakPolarHBondContact OD2-CG 3.37Å; D360-R365 IonicContact OD2-CZ 3.71Å; D360-R365 IonicContact OD2-NE 2.82Å; D360-R365 PolarHBondContact OD2-NE 3.26Å; D360-R365 IonicContact OD2-NH2 3.76Å; D362-R365 HydrophobicContact CB-CB 3.85Å; D362-R365 PolarHBondContact O-N 3.14Å; R365-S368 PolarHBondContact O-N 3.03Å; R365-V369 HydrophobicContact CG-CG2 4.49Å; R365-V369 WeakPolarHBondContact O-CB 3.43Å; R365-V369 WeakPolarHBondContact O-CG2 3.5Å; R365-V369 PolarHBondContact O-N 3.01Å
366R81.7Confident80.3Confident108 Ų10861.4 Ų61.441%0.40834%0.335SS..Hα-helixtrans-59.1-48.4174.1177.9170.870-163.8-0.7112.5V357 D362 V364 S368 V369 M370V357-R366 HydrophobicContact CB-CG 4.29Å; V357-R366 HydrophobicContact CG1-CG 3.83Å; V357-R366 HydrophobicContact CG2-CB 4.03Å; V357-R366 HydrophobicContact CG2-CG 3.72Å; D362-R366 PolarHBondContact O-N 3.44Å; V364-R366 VanDerWaalsContact C-N 3.33Å; R366-S368 PolarHBondContact O-N 3.07Å; R366-V369 PolarHBondContact O-N 3.37Å; R366-M370 HydrophobicContact CG-CG 4.43Å; R366-M370 HydrophobicContact CG-SD 3.92Å; R366-M370 WeakPolarHBondContact O-CB 3.42Å; R366-M370 VanDerWaalsContact O-CG 3.25Å; R366-M370 WeakPolarHBondContact O-CG 3.33Å; R366-M370 PolarHBondContact O-N 3.48Å
367E75.1Confident80.3Confident68 Ų6863.5 Ų63.532%0.31834%0.342SS..Hα-helixtrans-61.3-45.4178.7-168.1-166.1139.200111.7P363 V364 V369 M370 R371P363-E367 PolarHBondContact O-N 3.16Å; V364-E367 PolarHBondContact O-N 2.76Å; E367-V369 VanDerWaalsContact C-N 3.35Å; E367-V369 PolarHBondContact O-N 3.03Å; E367-M370 PolarHBondContact O-N 3.4Å; E367-R371 WeakPolarHBondContact O-CB 3.43Å; E367-R371 PolarHBondContact O-N 2.88Å; E367-R371 IonicContact OE1-CZ 2.74Å; E367-R371 IonicContact OE1-NH2 2.66Å; E367-R371 PolarHBondContact OE1-NH2 2.78Å
368S79.1Confident80.2Confident66 Ų6670.5 Ų70.546%0.46237%0.372SS..Hα-helixtrans-59.3-44.3177-1740000112.2V364 R365 R366 R371 R372V364-S368 WeakPolarHBondContact O-CB 3.46Å; V364-S368 PolarHBondContact O-N 3.08Å; R365-S368 PolarHBondContact O-N 3.03Å; R366-S368 PolarHBondContact O-N 3.07Å; S368-R371 PolarHBondContact O-N 2.72Å; S368-R372 PolarHBondContact O-N 2.98Å
369V84.1Confident80.3Confident14 Ų1465 Ų659%0.08535%0.345CS..Hα-helixtrans-65.6-43.3177.1170.60000111.4L320 L353 V357 R365 R366 E367 R372 T373L320-V369 HydrophobicContact CD2-CG2 3.61Å; L353-V369 HydrophobicContact CB-CG1 4.08Å; L353-V369 HydrophobicContact CD2-CG1 3.93Å; L353-V369 HydrophobicContact CG-CG1 4.49Å; V357-V369 HydrophobicContact CB-CG1 4.33Å; V357-V369 HydrophobicContact CG2-CB 3.61Å; V357-V369 HydrophobicContact CG2-CG1 3.51Å; V357-V369 HydrophobicContact CG2-CG2 4.35Å; R365-V369 HydrophobicContact CG-CG2 4.49Å; R365-V369 WeakPolarHBondContact O-CB 3.43Å; R365-V369 WeakPolarHBondContact O-CG2 3.5Å; R365-V369 PolarHBondContact O-N 3.01Å; R366-V369 PolarHBondContact O-N 3.37Å; E367-V369 VanDerWaalsContact C-N 3.35Å; E367-V369 PolarHBondContact O-N 3.03Å; V369-R372 PolarHBondContact O-N 2.89Å; V369-T373 WeakPolarHBondContact O-CB 3.38Å; V369-T373 PolarHBondContact O-N 3.37Å; V369-T373 PolarHBondContact O-OG1 3.01Å
370M83.6Confident80.5Confident52 Ų5262.3 Ų62.326%0.25632%0.317SS..Hα-helixtrans-63.7-42.2177.8-70.9-179.983.300111.7L219 I223 V357 R366 E367 R372 T373 A374L219-M370 HydrophobicContact CD2-CB 4.4Å; I223-M370 HydrophobicContact CD1-CE 3.79Å; V357-M370 HydrophobicContact CG1-CG 4Å; V357-M370 HydrophobicContact CG1-SD 4.21Å; V357-M370 HydrophobicContact CG2-CG 4.48Å; R366-M370 HydrophobicContact CG-CG 4.43Å; R366-M370 HydrophobicContact CG-SD 3.92Å; R366-M370 WeakPolarHBondContact O-CB 3.42Å; R366-M370 VanDerWaalsContact O-CG 3.25Å; R366-M370 WeakPolarHBondContact O-CG 3.33Å; R366-M370 PolarHBondContact O-N 3.48Å; E367-M370 PolarHBondContact O-N 3.4Å; M370-R372 PolarHBondContact O-N 2.86Å; M370-T373 WeakPolarHBondContact O-CB 3.31Å; M370-T373 PolarHBondContact O-N 3.1Å; M370-A374 PolarHBondContact O-N 2.81Å; M370-A374 VanDerWaalsContact O-N 3.11Å
371R81.9Confident80.7Confident105 Ų10567.7 Ų67.740%0.39634%0.342SS..Hα-helixtrans-57.9-46.6174-174-177.8-65.8125.24.1111.7L219 E367 S368 A374 Q375L219-R371 HydrophobicContact CD2-CB 4.47Å; E367-R371 WeakPolarHBondContact O-CB 3.43Å; E367-R371 PolarHBondContact O-N 2.88Å; E367-R371 IonicContact OE1-CZ 2.74Å; E367-R371 IonicContact OE1-NH2 2.66Å; E367-R371 PolarHBondContact OE1-NH2 2.78Å; S368-R371 PolarHBondContact O-N 2.72Å; R371-A374 PolarHBondContact O-N 3.15Å; R371-Q375 PolarHBondContact O-N 3.45Å
372R80Confident81Confident67 Ų6766.8 Ų66.825%0.25333%0.33SS..Hα-helixtrans-68.4-37.7179.7-149.6-177.8-177.4133.59.9112.2S368 V369 M370 A374 Q375 Y376S368-R372 PolarHBondContact O-N 2.98Å; V369-R372 PolarHBondContact O-N 2.89Å; M370-R372 PolarHBondContact O-N 2.86Å; R372-A374 VanDerWaalsContact C-N 3.29Å; R372-A374 PolarHBondContact O-N 2.98Å; R372-Q375 WeakPolarHBondContact O-CB 3.13Å; R372-Q375 PolarHBondContact O-N 3.33Å; R372-Q375 VanDerWaalsContact O-N 3.1Å; R372-Y376 HydrophobicContact CB-CE2 4.33Å; R372-Y376 HydrophobicContact CG-CD2 4.32Å; R372-Y376 HydrophobicContact CG-CE2 3.57Å; R372-Y376 PolarHBondContact NE-OH 2.86Å; R372-Y376 WeakPolarHBondContact O-CD2 3.39Å; R372-Y376 PolarHBondContact O-N 3.14Å; R372-Y376 VanDerWaalsContact O-N 3.13Å
373T87.6Confident81.3Confident9 Ų964 Ų646%0.05532%0.315CS..Hα-helixtrans-58.8-41175.6-56.30000111.6V350 I354 V369 M370 Q375 Y376 L377V350-T373 HydrophobicContact CB-CG2 4.29Å; V350-T373 HydrophobicContact CG1-CG2 3.65Å; V350-T373 HydrophobicContact CG2-CG2 4.15Å; I354-T373 HydrophobicContact CD1-CG2 4.29Å; I354-T373 HydrophobicContact CG1-CG2 3.99Å; V369-T373 WeakPolarHBondContact O-CB 3.38Å; V369-T373 PolarHBondContact O-N 3.37Å; V369-T373 PolarHBondContact O-OG1 3.01Å; M370-T373 WeakPolarHBondContact O-CB 3.31Å; M370-T373 PolarHBondContact O-N 3.1Å; T373-Q375 VanDerWaalsContact C-N 3.31Å; T373-Q375 PolarHBondContact O-N 2.95Å; T373-Y376 PolarHBondContact O-N 3.32Å; T373-L377 HydrophobicContact CG2-CD1 4.48Å; T373-L377 PolarHBondContact O-N 2.8Å
374A83.4Confident81.6Confident36 Ų3662.1 Ų62.130%0.29830%0.302SS..Hα-helixtrans-62.7-36.7175.800000112.8L219 M370 R371 R372 L377 K378L219-A374 HydrophobicContact CD2-CB 4.29Å; L219-A374 HydrophobicContact CG-CB 4.49Å; M370-A374 PolarHBondContact O-N 2.81Å; M370-A374 VanDerWaalsContact O-N 3.11Å; R371-A374 PolarHBondContact O-N 3.15Å; R372-A374 VanDerWaalsContact C-N 3.29Å; R372-A374 PolarHBondContact O-N 2.98Å; A374-L377 PolarHBondContact O-N 3.16Å; A374-K378 PolarHBondContact O-N 3.36Å; A374-K378 VanDerWaalsContact O-N 3.09Å
375Q82.1Confident81.8Confident110 Ų11062.3 Ų62.351%0.51430%0.3SS..Hα-helixtrans-65.8-42.6175.7-65175.4-13.800111.6R371 R372 T373 K378 H379R371-Q375 PolarHBondContact O-N 3.45Å; R372-Q375 WeakPolarHBondContact O-CB 3.13Å; R372-Q375 PolarHBondContact O-N 3.33Å; R372-Q375 VanDerWaalsContact O-N 3.1Å; T373-Q375 VanDerWaalsContact C-N 3.31Å; T373-Q375 PolarHBondContact O-N 2.95Å; Q375-K378 PolarHBondContact O-N 3.42Å; Q375-H379 PolarHBondContact O-N 2.81Å
376Y83.1Confident81.7Confident11 Ų1165.4 Ų65.44%0.04332%0.317CS..Hα-helixtrans-66.4-36.5176.8-65.9-56.3000112.9F305 L327 L353 R372 T373 H379 A380F305-Y376 HydrophobicContact CD1-CE1 4Å; F305-Y376 HydrophobicContact CE1-CD1 4.33Å; F305-Y376 AromaticContact CE1-CE1 3.91Å; F305-Y376 HydrophobicContact CE1-CE1 3.91Å; L327-Y376 HydrophobicContact CD1-CD2 4.03Å; L327-Y376 HydrophobicContact CD1-CE1 4.04Å; L327-Y376 HydrophobicContact CD1-CE2 3.47Å; L327-Y376 VanDerWaalsContact CD1-CE2 3.47Å; L327-Y376 VanDerWaalsContact CD1-CZ 3.5Å; L327-Y376 HydrophobicContact CD2-CD1 3.73Å; L327-Y376 HydrophobicContact CD2-CD2 4.15Å; L327-Y376 HydrophobicContact CD2-CE1 3.89Å; L327-Y376 HydrophobicContact CD2-CE2 4.29Å; L327-Y376 HydrophobicContact CD2-CG 3.89Å; L353-Y376 HydrophobicContact CD1-CD2 4.25Å; L353-Y376 HydrophobicContact CD1-CE2 4.49Å; R372-Y376 HydrophobicContact CB-CE2 4.33Å; R372-Y376 HydrophobicContact CG-CD2 4.32Å; R372-Y376 HydrophobicContact CG-CE2 3.57Å; R372-Y376 PolarHBondContact NE-OH 2.86Å; R372-Y376 WeakPolarHBondContact O-CD2 3.39Å; R372-Y376 PolarHBondContact O-N 3.14Å; R372-Y376 VanDerWaalsContact O-N 3.13Å; T373-Y376 PolarHBondContact O-N 3.32Å; Y376-H379 PolarHBondContact O-N 3.34Å; Y376-A380 WeakPolarHBondContact O-CB 3.3Å; Y376-A380 PolarHBondContact O-N 3.38Å
377L85.2Confident81.1Confident61 Ų6164.3 Ų64.332%0.31932%0.316SS..Hα-helixtrans-62.9-44.1173.7-79.6172.3000112.1V350 T373 A374 H379 A380 E381V350-L377 HydrophobicContact CG1-CD1 4.29Å; V350-L377 HydrophobicContact CG1-CD2 3.93Å; V350-L377 HydrophobicContact CG1-CG 4.06Å; V350-L377 HydrophobicContact CG2-CD2 4.22Å; V350-L377 HydrophobicContact CG2-CG 4.15Å; T373-L377 HydrophobicContact CG2-CD1 4.48Å; T373-L377 PolarHBondContact O-N 2.8Å; A374-L377 PolarHBondContact O-N 3.16Å; L377-H379 VanDerWaalsContact C-N 3.29Å; L377-H379 PolarHBondContact O-N 2.95Å; L377-A380 PolarHBondContact O-N 3.15Å; L377-E381 WeakPolarHBondContact O-CB 3.48Å; L377-E381 PolarHBondContact O-N 2.85Å
378K83.8Confident80.6Confident157 Ų15764.1 Ų64.168%0.68333%0.326SS*.Hα-helixtrans-61.4-39176.1-173.2-179.8179.6-177.60111.9A374 Q375 M382A374-K378 PolarHBondContact O-N 3.36Å; A374-K378 VanDerWaalsContact O-N 3.09Å; Q375-K378 PolarHBondContact O-N 3.42Å; K378-M382 PolarHBondContact O-N 3.47Å
379H80.8Confident78.9Confident25 Ų2565.6 Ų65.612%0.11634%0.336CS..Hα-helixtrans-65.8-45174.7-17364.3000111.8E334 Y346 Q375 Y376 L377 E381 M382 L383E334-H379 IonicContact OE1-CE1 3.91Å; E334-H379 PolarHBondContact OE1-CE1 3.31Å; E334-H379 IonicContact OE1-NE2 2.94Å; E334-H379 PolarHBondContact OE1-NE2 3.19Å; E334-H379 IonicContact OE2-CD2 3.73Å; E334-H379 IonicContact OE2-CE1 3.87Å; E334-H379 IonicContact OE2-NE2 3.5Å; E334-H379 PolarHBondContact OE2-NE2 3.04Å; Y346-H379 AromaticContact CE2-CD2 3.8Å; Y346-H379 AromaticContact CZ-CD2 3.58Å; Y346-H379 AromaticContact CZ-NE2 3.9Å; Y346-H379 PolarHBondContact OH-NE2 3.03Å; Q375-H379 PolarHBondContact O-N 2.81Å; Y376-H379 PolarHBondContact O-N 3.34Å; L377-H379 VanDerWaalsContact C-N 3.29Å; L377-H379 PolarHBondContact O-N 2.95Å; H379-E381 VanDerWaalsContact C-N 3.31Å; H379-E381 PolarHBondContact O-N 3.12Å; H379-M382 WeakPolarHBondContact O-CB 3.18Å; H379-M382 PolarHBondContact O-N 2.72Å; H379-L383 WeakPolarHBondContact O-CB 3.47Å; H379-L383 PolarHBondContact O-N 2.62Å
380A81.1Confident77.4Confident10 Ų1071.3 Ų71.38%0.08337%0.374CS..Hα-helixtrans-63.5-36.3177.400000112.6Y376 L377 L383 V384Y376-A380 WeakPolarHBondContact O-CB 3.3Å; Y376-A380 PolarHBondContact O-N 3.38Å; L377-A380 PolarHBondContact O-N 3.15Å; A380-L383 PolarHBondContact O-N 3.34Å; A380-V384 WeakPolarHBondContact O-CB 3.4Å; A380-V384 WeakPolarHBondContact O-CG2 3.12Å; A380-V384 PolarHBondContact O-N 3.43Å
381E82.4Confident75.7Confident123 Ų12371.4 Ų71.458%0.57539%0.388SS*.Hα-helixtrans-64-49.9173.5-177.2177.2-161.500111.3L377 H379 L383 V384 D385L377-E381 WeakPolarHBondContact O-CB 3.48Å; L377-E381 PolarHBondContact O-N 2.85Å; H379-E381 VanDerWaalsContact C-N 3.31Å; H379-E381 PolarHBondContact O-N 3.12Å; E381-L383 VanDerWaalsContact C-N 3.26Å; E381-L383 PolarHBondContact O-N 2.9Å; E381-V384 PolarHBondContact O-N 3.19Å; E381-V384 VanDerWaalsContact O-N 3.1Å; E381-D385 PolarHBondContact O-N 3.08Å
382M80.9Confident73.5Confident82 Ų8275.4 Ų75.440%0.40441%0.411SS..Hα-helixtrans-53.5-46174.4-177.1-144.1-54.300111.7K378 H379 D385 Q386K378-M382 PolarHBondContact O-N 3.47Å; H379-M382 WeakPolarHBondContact O-CB 3.18Å; H379-M382 PolarHBondContact O-N 2.72Å; M382-D385 PolarHBondContact O-N 3.27Å; M382-Q386 VanDerWaalsContact CG-NE2 3.27Å; M382-Q386 WeakPolarHBondContact O-CB 3.39Å; M382-Q386 VanDerWaalsContact O-CG 3.25Å; M382-Q386 WeakPolarHBondContact O-CG 3.28Å; M382-Q386 PolarHBondContact O-N 3.07Å; M382-Q386 PolarHBondContact SD-NE2 3.13Å
383L81.4Confident71.6Confident3 Ų378.9 Ų78.92%0.01644%0.44CS..Hα-helixtrans-69.7-34.4-178.6-162140.4000111.4E334 F339 I343 Y346 H379 A380 E381 H387E334-L383 VanDerWaalsContact CD-CD1 3.4Å; E334-L383 HydrophobicContact CG-CD1 3.77Å; F339-L383 HydrophobicContact CB-CD2 4.03Å; F339-L383 HydrophobicContact CD1-CD1 4.23Å; F339-L383 HydrophobicContact CD1-CD2 4.07Å; F339-L383 HydrophobicContact CD1-CG 4.2Å; I343-L383 HydrophobicContact CD1-CD2 3.77Å; I343-L383 HydrophobicContact CG1-CD2 3.26Å; Y346-L383 HydrophobicContact CE2-CD1 4.45Å; H379-L383 WeakPolarHBondContact O-CB 3.47Å; H379-L383 PolarHBondContact O-N 2.62Å; A380-L383 PolarHBondContact O-N 3.34Å; E381-L383 VanDerWaalsContact C-N 3.26Å; E381-L383 PolarHBondContact O-N 2.9Å; L383-H387 WeakPolarHBondContact O-CB 3.39Å; L383-H387 PolarHBondContact O-CD2 2.88Å; L383-H387 PolarHBondContact O-N 3.26Å
384V81.8Confident69.1Low41 Ų4182.9 Ų82.925%0.24847%0.474CS..Hα-helixtrans-65.4-50.1170.6169.90000110.5I343 A380 E381 Q386 H387 A388I343-V384 HydrophobicContact CD1-CG2 3.7Å; I343-V384 HydrophobicContact CG1-CG2 3.99Å; I343-V384 HydrophobicContact CG2-CG2 3.84Å; A380-V384 WeakPolarHBondContact O-CB 3.4Å; A380-V384 WeakPolarHBondContact O-CG2 3.12Å; A380-V384 PolarHBondContact O-N 3.43Å; E381-V384 PolarHBondContact O-N 3.19Å; E381-V384 VanDerWaalsContact O-N 3.1Å; V384-Q386 VanDerWaalsContact C-N 3.35Å; V384-Q386 PolarHBondContact O-N 2.89Å; V384-H387 CarbonylContact O-C 3.57Å; V384-H387 PolarHBondContact O-N 3.15Å; V384-H387 VanDerWaalsContact O-N 3.09Å; V384-A388 HydrophobicContact CG1-CB 4.11Å; V384-A388 WeakPolarHBondContact O-CA 3.29Å; V384-A388 WeakPolarHBondContact O-CB 3.49Å; V384-A388 PolarHBondContact O-N 2.98Å
385D79.6Confident66.9Low103 Ų10385.3 Ų85.355%0.55149%0.494SS*.Hα-helixtrans-62.2-40.8-176.2-72.5-17.9000112.7E381 M382 H387E381-D385 PolarHBondContact O-N 3.08Å; M382-D385 PolarHBondContact O-N 3.27Å; D385-H387 PolarHBondContact O-N 2.88Å
386Q77.3Confident64.7Low122 Ų12288.8 Ų88.857%0.5751%0.51SS*.Hα-helixtrans-63.4-29.8176.2-73.3177.418.800112.8M382 V384M382-Q386 VanDerWaalsContact CG-NE2 3.27Å; M382-Q386 WeakPolarHBondContact O-CB 3.39Å; M382-Q386 VanDerWaalsContact O-CG 3.25Å; M382-Q386 WeakPolarHBondContact O-CG 3.28Å; M382-Q386 PolarHBondContact O-N 3.07Å; M382-Q386 PolarHBondContact SD-NE2 3.13Å; V384-Q386 VanDerWaalsContact C-N 3.35Å; V384-Q386 PolarHBondContact O-N 2.89Å
387H69.3Low62.6Low86 Ų8694.3 Ų94.340%0.39855%0.545SS..Hα-helixtrans-111.9-4.6-174.3-62.1-59.5000114.4F339 L383 V384 D385F339-H387 AromaticContact CD1-CD2 3.6Å; F339-H387 AromaticContact CD1-CE1 3.97Å; F339-H387 AromaticContact CD1-NE2 3.22Å; F339-H387 WeakPolarHBondContact CD1-NE2 3.49Å; F339-H387 AromaticContact CD2-CD2 3.92Å; F339-H387 AromaticContact CD2-CE1 3.49Å; F339-H387 VanDerWaalsContact CD2-CE1 3.49Å; F339-H387 WeakPolarHBondContact CD2-CE1 3.36Å; F339-H387 AromaticContact CD2-ND1 3.81Å; F339-H387 AromaticContact CD2-NE2 3.57Å; F339-H387 AromaticContact CE1-CE1 3.87Å; F339-H387 AromaticContact CE1-NE2 3.28Å; F339-H387 VanDerWaalsContact CE1-NE2 3.28Å; F339-H387 WeakPolarHBondContact CE1-NE2 3.36Å; F339-H387 AromaticContact CE2-CE1 3.37Å; F339-H387 WeakPolarHBondContact CE2-CE1 3.44Å; F339-H387 AromaticContact CE2-NE2 3.64Å; F339-H387 AromaticContact CG-CD2 3.46Å; F339-H387 VanDerWaalsContact CG-CD2 3.46Å; F339-H387 WeakPolarHBondContact CG-CD2 2.83Å; F339-H387 AromaticContact CG-CE1 3.79Å; F339-H387 AromaticContact CG-CG 3.97Å; F339-H387 AromaticContact CG-NE2 3.36Å; F339-H387 WeakPolarHBondContact CG-NE2 3.37Å; F339-H387 AromaticContact CZ-CE1 3.57Å; F339-H387 AromaticContact CZ-NE2 3.49Å; F339-H387 WeakPolarHBondContact CZ-NE2 3.3Å; L383-H387 WeakPolarHBondContact O-CB 3.39Å; L383-H387 PolarHBondContact O-CD2 2.88Å; L383-H387 PolarHBondContact O-N 3.26Å; V384-H387 CarbonylContact O-C 3.57Å; V384-H387 PolarHBondContact O-N 3.15Å; V384-H387 VanDerWaalsContact O-N 3.09Å; D385-H387 PolarHBondContact O-N 2.88Å
388A63.2Low60.4Low64 Ų6498.7 Ų98.753%0.52956%0.563SS.*Hα-helixtrans-93.7-4178.300000113.6V384 P390V384-A388 HydrophobicContact CG1-CB 4.11Å; V384-A388 WeakPolarHBondContact O-CA 3.29Å; V384-A388 WeakPolarHBondContact O-CB 3.49Å; V384-A388 PolarHBondContact O-N 2.98Å; A388-P390 VanDerWaalsContact O-CD 3.22Å; A388-P390 WeakPolarHBondContact O-CD 3.36Å
389S44Very low58.3Low96 Ų9697.6 Ų97.667%0.67157%0.57SS**  trans-90.5102.4170.5-167.90000110.5G391S389-G391 PolarHBondContact O-N 3.03Å
390P52.1Low56.7Low135 Ų135103.7 Ų103.788%0.87760%0.598SS**  trans-93.387.7172.524.6-4.1000107A388A388-P390 VanDerWaalsContact O-CD 3.22Å; A388-P390 WeakPolarHBondContact O-CD 3.36Å
391G47.8Very low54.4Low54 Ų54110 Ų11056%0.55763%0.63SS**  trans-153.552.1-176.500000112.5S389S389-G391 PolarHBondContact O-N 3.03Å
392H37Very low53.3Low188 Ų188113 Ų11387%0.8766%0.661SS**  trans177.399.3137.9-91.9-64.2000108.8A394H392-A394 PolarHBondContact O-N 3.18Å
393T40.7Very low52Low141 Ų141114.6 Ų114.687%0.86567%0.674SS**  trans-57.2117.8155.2440000109.2
394A34.8Very low50.4Low93 Ų93120.4 Ų120.477%0.76971%0.708SS**  trans-128.591.4147.400000107.1H392 H396H392-A394 PolarHBondContact O-N 3.18Å; A394-H396 PolarHBondContact O-N 3.32Å
395A37.6Very low48.7Very low86 Ų86124.8 Ų124.871%0.71173%0.734SS**  trans-59.3116.816200000108.4
396H34.7Very low46.9Very low184 Ų184126.1 Ų126.185%0.85275%0.745SS**  trans-124.890.7148.4-95.1-71.8000107.7A394 H398A394-H396 PolarHBondContact O-N 3.32Å; H396-H398 PolarHBondContact O-N 3.33Å
397T38.2Very low45Very low126 Ų126126.4 Ų126.477%0.77376%0.756SS**  trans-55.6123.1163.236.30000110
398H40.3Very low43.3Very low154 Ų154129.1 Ų129.171%0.71378%0.779SS**  trans-65.5131.4160-175.469.1000109.7H396H396-H398 PolarHBondContact O-N 3.33Å
399T39.4Very low41.9Very low133 Ų133133.7 Ų133.782%0.81680%0.797SS**  trans-148.1121.3153.2-36.80000109.9
400Q47.9Very low41.8Very low153 Ų153136.6 Ų136.672%0.71581%0.807SS**  trans-87.3131.3-180-142.3176.9-10.200109.2
401D32Very low40.9Very low142 Ų142136.8 Ų136.876%0.75980%0.801SS**  trans45151.9140.1-99.2-22.8000122.3
402P60.3Low40.3Very low187 Ų187144.3 Ų144.3100%1.21482%0.823SS**  -134.4069.938.7-24.5000117.9

Retrieved 402 of 402 residues in 126.7 ms (Link to these results)

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