A0A077Z201_TRITR Loading...

Proteasome activator pa28 beta subunit family pro tein

AlphaFold DB , UniProt , Accession A0A077Z201, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 436 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
1M35.5Very low32.7Very low246 Ų246159.7 Ų159.7100%1.21284%0.842SS**  01090-61.1176.295.900105.6
2S33.2Very low32.6Very low117 Ų117152.9 Ų152.982%0.81884%0.839SS**  trans-94.2138.2-174.2-163.90000109.4
3S34.9Very low33.4Very low105 Ų105151.1 Ų151.173%0.73483%0.826SS**  trans-110.1112.5177.352.20000109.4E5S3-E5 PolarHBondContact O-N 3.29Å
4D30.4Very low34.2Very low158 Ų158146.9 Ų146.985%0.84580%0.802SS**PPolyproline II helixtrans-72.1116.5174.1-65.9-52.7000110.7
5E30.9Very low35Very low178 Ų178148.7 Ų148.783%0.83280%0.799SS**PPolyproline II helixtrans-81.9131.9163.5-73.4-168.9133.300109.9S3S3-E5 PolarHBondContact O-N 3.29Å
6P34.3Very low35.9Very low124 Ų124146.4 Ų146.481%0.80579%0.787SS**PPolyproline II helixtrans-76.6132.4177.430.1-33.2000111.6S8P6-S8 PolarHBondContact O-N 3.01Å
7Y29Very low36.5Very low232 Ų232142.1 Ų142.191%0.9176%0.763SS**  trans-44.6107.6179.9-96.4-108.8000114.6R9Y7-R9 VanDerWaalsContact C-N 3.33Å; Y7-R9 PolarHBondContact O-N 2.97Å
8S30Very low37Very low105 Ų105136.9 Ų136.973%0.73474%0.744SS**  trans-76.478.7169.5-174.40000111.3P6 K10P6-S8 PolarHBondContact O-N 3.01Å; S8-K10 VanDerWaalsContact C-N 3.32Å; S8-K10 PolarHBondContact O-N 3.22Å
9R37.1Very low37.4Very low235 Ų235135 Ų13589%0.88773%0.733SS**  trans-76.279.7177.6-156-179.7-160.9-176.18.1110.9Y7 G11Y7-R9 VanDerWaalsContact C-N 3.33Å; Y7-R9 PolarHBondContact O-N 2.97Å; R9-G11 PolarHBondContact O-N 3.1Å
10K30.9Very low37.9Very low196 Ų196134.8 Ų134.885%0.85272%0.724SS**  trans-66.872165.9-80.5-174.9176.7174.40111.1S8 G12S8-K10 VanDerWaalsContact C-N 3.32Å; S8-K10 PolarHBondContact O-N 3.22Å; K10-G12 PolarHBondContact O-N 2.75Å; K10-G12 VanDerWaalsContact O-N 3.16Å
11G33.9Very low38Very low61 Ų61130.2 Ų130.263%0.62970%0.703SS**  trans-69.8101.7165.900000109.6R9 L13R9-G11 PolarHBondContact O-N 3.1Å; G11-L13 PolarHBondContact O-N 2.85Å
12G31.3Very low38.3Very low78 Ų78122.5 Ų122.580%0.80467%0.669SS**  trans-66.699.3178.700000111.7K10 N14K10-G12 PolarHBondContact O-N 2.75Å; K10-G12 VanDerWaalsContact O-N 3.16Å; G12-N14 PolarHBondContact O-N 2.8Å
13L43.2Very low38.6Very low129 Ų129123.3 Ų123.368%0.67567%0.665SS**  trans-57.7120.4168-88.4159.4000109.6G11 K15 A337G11-L13 PolarHBondContact O-N 2.85Å; L13-K15 PolarHBondContact O-N 2.87Å; L13-A337 HydrophobicContact CD2-CB 4.23Å
14N43.7Very low38.6Very low93 Ų93120.9 Ų120.950%0.49766%0.656SS.*  trans-67.1120.2179.2-171.4-9000109.6G12 N16 D17G12-N14 PolarHBondContact O-N 2.8Å; N14-N16 PolarHBondContact O-N 3Å; N14-N16 PolarHBondContact OD1-N 3.18Å; N14-D17 PolarHBondContact O-N 3.18Å; N14-D17 VanDerWaalsContact O-N 3.08Å
15K47.1Very low38.7Very low174 Ų174119 Ų11976%0.75765%0.65SS**Hα-helixtrans-56.4-24.2-176.5-70.6-177.1177179.30113.3L13 D17 N19L13-K15 PolarHBondContact O-N 2.87Å; K15-D17 VanDerWaalsContact C-N 3.34Å; K15-D17 PolarHBondContact O-N 2.95Å; K15-N19 PolarHBondContact O-N 3.41Å
16N49.8Very low38.7Very low111 Ų111115.8 Ų115.859%0.59464%0.642SS**Hα-helixtrans-67.1-30.6179.4-69.9-12.7000113.6N14N14-N16 PolarHBondContact O-N 3Å; N14-N16 PolarHBondContact OD1-N 3.18Å
17D45Very low38.6Very low73 Ų73114.2 Ų114.239%0.3963%0.634SS.*Hα-helixtrans-79.6-31.5-178.6-64.1-47.9000111.9N14 K15 N19 K20N14-D17 PolarHBondContact O-N 3.18Å; N14-D17 VanDerWaalsContact O-N 3.08Å; K15-D17 VanDerWaalsContact C-N 3.34Å; K15-D17 PolarHBondContact O-N 2.95Å; D17-N19 PolarHBondContact O-N 2.86Å; D17-K20 PolarHBondContact O-N 2.79Å
18A46.4Very low38.9Very low50 Ų50111 Ų11141%0.41363%0.632SS.*Hα-helixtrans-63-40.6173.100000112.4K20 C21A18-K20 VanDerWaalsContact C-N 3.32Å; A18-K20 PolarHBondContact O-N 2.77Å; A18-C21 WeakPolarHBondContact O-CB 3.38Å; A18-C21 PolarHBondContact O-N 3.13Å; A18-C21 VanDerWaalsContact O-N 3.14Å
19N44.8Very low38.9Very low100 Ų100114 Ų11454%0.53563%0.632SS.*Hα-helixtrans-69.9-22.7-178.2-73.5-9.8000114K15 D17 C21 T22K15-N19 PolarHBondContact O-N 3.41Å; D17-N19 PolarHBondContact O-N 2.86Å; N19-C21 VanDerWaalsContact C-N 3.29Å; N19-T22 PolarHBondContact O-OG1 3.32Å; N19-T22 VanDerWaalsContact O-OG1 3.09Å
20K47.2Very low38.7Very low130 Ų130108.3 Ų108.357%0.56563%0.626SS**Hα-helixtrans-68-31.5171.7-78.5-177176.4175.70111.9D17 A18D17-K20 PolarHBondContact O-N 2.79Å; A18-K20 VanDerWaalsContact C-N 3.32Å; A18-K20 PolarHBondContact O-N 2.77Å
21C39.3Very low38.8Very low40 Ų40108.6 Ų108.627%0.2763%0.627SS.*Hα-helixtrans-75.7-28-176-164.40000113.5A18 N19 C336A18-C21 WeakPolarHBondContact O-CB 3.38Å; A18-C21 PolarHBondContact O-N 3.13Å; A18-C21 VanDerWaalsContact O-N 3.14Å; N19-C21 VanDerWaalsContact C-N 3.29Å; C21-C336 HydrophobicContact CB-CB 4.41Å; C21-C336 WeakPolarHBondContact SG-CB 3.2Å
22T41.8Very low38.7Very low83 Ų83112.8 Ų112.851%0.50963%0.63SS.*Hα-helixtrans-75.1-28.8-179.751.70000113.2N19 G24 T25N19-T22 PolarHBondContact O-OG1 3.32Å; N19-T22 VanDerWaalsContact O-OG1 3.09Å; T22-G24 VanDerWaalsContact C-N 3.34Å; T22-T25 PolarHBondContact O-OG1 2.9Å
23N39.3Very low38.9Very low135 Ų135115.7 Ų115.772%0.72263%0.634SS**THydrogen-bonded Turntrans-86.9-4.3-173.9-63-2.8000113.3T25N23-T25 PolarHBondContact O-N 3.03Å
24G36Very low38.6Very low53 Ų53112.2 Ų112.255%0.54663%0.63SS.*  trans-82.724.6177.500000114.9T22 V26T22-G24 VanDerWaalsContact C-N 3.34Å; G24-V26 PolarHBondContact O-N 3.33Å
25T32.5Very low38.1Very low119 Ų119116 Ų11673%0.7364%0.643SS**  trans-71.796.3-1808.50000110.5T22 N23 S27T22-T25 PolarHBondContact O-OG1 2.9Å; N23-T25 PolarHBondContact O-N 3.03Å; T25-S27 PolarHBondContact O-N 2.91Å
26V31.2Very low37.4Very low110 Ų110114 Ų11467%0.66765%0.65SS**  trans-62.1101.1170178.90000108.5G24 L28G24-V26 PolarHBondContact O-N 3.33Å; V26-L28 PolarHBondContact O-N 3.32Å
27S31.4Very low36.6Very low91 Ų91112.2 Ų112.264%0.63666%0.658SS**  trans-6998.9177.3-176.70000109.9T25 K29T25-S27 PolarHBondContact O-N 2.91Å; S27-K29 PolarHBondContact O-N 3.43Å
28L35.4Very low36Very low165 Ų165113.8 Ų113.886%0.86467%0.67SS**  trans-7343170.2-68.2172.8000112.1V26 P30V26-L28 PolarHBondContact O-N 3.32Å; L28-P30 WeakPolarHBondContact O-CD 3.02Å
29K28.9Very low35.2Very low168 Ų168116 Ų11673%0.7368%0.683SS**  trans-84.2114.5162.5-83.2-171.6173.8-178.40108.2S27 K31S27-K29 PolarHBondContact O-N 3.43Å; K29-K31 PolarHBondContact O-N 3.33Å
30P32.9Very low34.6Very low116 Ų116120.9 Ų120.975%0.75370%0.699SS**  trans-60.5125.5173.924.7-32.6000109.4L28 H32L28-P30 WeakPolarHBondContact O-CD 3.02Å; P30-H32 PolarHBondContact O-N 2.9Å; P30-H32 VanDerWaalsContact O-N 3.09Å
31K34.6Very low33.8Very low202 Ų202120 Ų12088%0.87870%0.704SS**SBendtrans-75.211.1-173.4-82.1-172.8174.5-179.60115.1K29K29-K31 PolarHBondContact O-N 3.33Å
32H31.7Very low33.4Very low149 Ų149123.3 Ų123.369%0.6973%0.725SS**  trans-131.2122.7-180-76.7-75.4000112.5P30 G34P30-H32 PolarHBondContact O-N 2.9Å; P30-H32 VanDerWaalsContact O-N 3.09Å; H32-G34 PolarHBondContact O-N 3.39Å
33P35.8Very low33.1Very low138 Ų138125.6 Ų125.690%0.89674%0.739SS**THydrogen-bonded Turntrans-80.637.4175.536-36.6000112.4
34G35.7Very low32.9Very low57 Ų57123 Ų12359%0.58874%0.736SS**THydrogen-bonded Turntrans-109.5-8.9-168.900000116.4H32H32-G34 PolarHBondContact O-N 3.39Å
35F33.4Very low33Very low173 Ų173129.7 Ų129.776%0.75975%0.75SS**  trans-118.963.7-174.6-71.2-78.6000112.3G37 V38F35-G37 VanDerWaalsContact C-N 3.33Å; F35-V38 HydrophobicContact CB-CG2 4.48Å; F35-V38 HydrophobicContact CD1-CG2 3.81Å
36S33.4Very low33.4Very low130 Ų130132.6 Ų132.691%0.90976%0.755SS**SBendtrans-85.30174.552.70000114.4
37G32.4Very low34.1Very low75 Ų75131.2 Ų131.277%0.77374%0.744SS**SBendtrans-121.40.3-172.900000116.5F35F35-G37 VanDerWaalsContact C-N 3.33Å
38V32.1Very low35.3Very low105 Ų105130.5 Ų130.564%0.63674%0.736SS**SBendtrans-80.3127.9178.6-177.10000109.5F35F35-V38 HydrophobicContact CB-CG2 4.48Å; F35-V38 HydrophobicContact CD1-CG2 3.81Å
39S29.1Very low36.3Very low98 Ų98130.3 Ų130.369%0.68572%0.724SS**  trans-28.6140.1171.1-178.70000113.8V41S39-V41 PolarHBondContact O-N 3.47Å
40K33.1Very low37.9Very low202 Ų202129.3 Ų129.388%0.87872%0.719SS**  trans-60.684.9166-67.7178.1-178.2175.30109P42K40-P42 WeakPolarHBondContact O-CD 3.39Å; K40-P42 VanDerWaalsContact O-N 3.11Å
41V30.7Very low39.1Very low111 Ų111128.7 Ų128.767%0.67371%0.706SS**  trans-49.2121.2156.91790000104.8S39 V43S39-V41 PolarHBondContact O-N 3.47Å; V41-V43 PolarHBondContact O-N 3.23Å
42P30.7Very low40.3Very low109 Ų109122.4 Ų122.471%0.70868%0.679SS**  trans-60.4111.6178.624.2-31.5000106.1K40 A44K40-P42 WeakPolarHBondContact O-CD 3.39Å; K40-P42 VanDerWaalsContact O-N 3.11Å; P42-A44 VanDerWaalsContact C-N 3.34Å; P42-A44 PolarHBondContact O-N 3.04Å
43V34.9Very low41.6Very low131 Ų131116 Ų11679%0.79465%0.65SS**  trans-51.2108.7168.81750000104.4V41 K45V41-V43 PolarHBondContact O-N 3.23Å; V43-K45 PolarHBondContact O-N 3.37Å
44A34.9Very low42.9Very low80 Ų80113.5 Ų113.566%0.66163%0.627SS**  trans-49.7120-172.400000106.6P42 Q46P42-A44 VanDerWaalsContact C-N 3.34Å; P42-A44 PolarHBondContact O-N 3.04Å; A44-Q46 PolarHBondContact O-N 3.38Å
45K38.7Very low44.2Very low194 Ų194120.2 Ų120.284%0.84363%0.634SS**  trans-38.6118.2-170.8-77.4179.7176.2177.40107.4V43 L47V43-K45 PolarHBondContact O-N 3.37Å; K45-L47 PolarHBondContact O-N 3.27Å
46Q41Very low45.8Very low180 Ų180114.3 Ų114.384%0.84161%0.611SS**  trans-42.6108.3-176-78.3179.2-28.200107.7A44 T48A44-Q46 PolarHBondContact O-N 3.38Å; Q46-T48 PolarHBondContact O-N 3.1Å
47L45.8Very low47.5Very low82 Ų82108.3 Ų108.343%0.42957%0.569SS.*  trans-57.7121.3172.4-88.883.1000103.9K45 R49 Q51 F52K45-L47 PolarHBondContact O-N 3.27Å; L47-R49 PolarHBondContact O-N 3.35Å; L47-Q51 HydrophobicContact CB-CB 4.29Å; L47-Q51 HydrophobicContact CD2-CB 4.29Å; L47-Q51 HydrophobicContact CG-CB 4.36Å; L47-F52 HydrophobicContact CB-CB 3.94Å; L47-F52 HydrophobicContact CD2-CB 4.28Å
48T55.9Low49.2Very low76 Ų76111.1 Ų111.147%0.46656%0.562SS.*  trans-52.9145.9172.154.60000107.4Q46 K50 Q51 F52Q46-T48 PolarHBondContact O-N 3.1Å; T48-K50 CarbonylContact O-C 3.49Å; T48-K50 PolarHBondContact O-N 2.92Å; T48-Q51 PolarHBondContact O-N 2.89Å; T48-Q51 VanDerWaalsContact OG1-CD 3.25Å; T48-Q51 VanDerWaalsContact OG1-CG 3.27Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.26Å; T48-Q51 PolarHBondContact OG1-N 3.06Å; T48-Q51 PolarHBondContact OG1-OE1 3.09Å; T48-F52 PolarHBondContact O-N 3.24Å
49R57.3Low51.1Low161 Ų161112.8 Ų112.861%0.60856%0.557SS**Hα-helixtrans-47.4-38.8-179.2175.9178.2162.6-163-9.6110.9L47 V53 N427L47-R49 PolarHBondContact O-N 3.35Å; R49-V53 HydrophobicContact CG-CG2 4.2Å; R49-V53 WeakPolarHBondContact O-CB 3.4Å; R49-V53 WeakPolarHBondContact O-CG2 3.33Å; R49-V53 PolarHBondContact O-N 3.16Å; R49-N427 PolarHBondContact NH2-OD1 2.87Å
50K61.2Low53.4Low147 Ų147109.5 Ų109.564%0.63953%0.529SS*.Hα-helixtrans-56.1-57.8171.6-175.5162.7179.9168.90113.3T48 F52 V53 E54T48-K50 CarbonylContact O-C 3.49Å; T48-K50 PolarHBondContact O-N 2.92Å; K50-F52 PolarHBondContact O-N 3.22Å; K50-V53 CarbonylContact O-C 3.59Å; K50-V53 WeakPolarHBondContact O-CB 2.87Å; K50-V53 PolarHBondContact O-N 3.31Å; K50-E54 WeakPolarHBondContact CE-OE1 3.11Å; K50-E54 HydrophobicContact CG-CG 4.34Å; K50-E54 VanDerWaalsContact CG-OE1 3.3Å; K50-E54 WeakPolarHBondContact CG-OE1 3.32Å; K50-E54 IonicContact NZ-OE1 3.66Å; K50-E54 WeakPolarHBondContact O-CB 3.48Å; K50-E54 VanDerWaalsContact O-CG 3.3Å; K50-E54 WeakPolarHBondContact O-CG 3.49Å; K50-E54 PolarHBondContact O-N 2.89Å
51Q58.3Low55.4Low102 Ų102100.3 Ų100.348%0.47749%0.49SS..Hα-helixtrans-62.2-36.1178.4-72.4165-37.400114.1L47 T48 R55L47-Q51 HydrophobicContact CB-CB 4.29Å; L47-Q51 HydrophobicContact CD2-CB 4.29Å; L47-Q51 HydrophobicContact CG-CB 4.36Å; T48-Q51 PolarHBondContact O-N 2.89Å; T48-Q51 VanDerWaalsContact OG1-CD 3.25Å; T48-Q51 VanDerWaalsContact OG1-CG 3.27Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.26Å; T48-Q51 PolarHBondContact OG1-N 3.06Å; T48-Q51 PolarHBondContact OG1-OE1 3.09Å; Q51-R55 VanDerWaalsContact O-CB 3.31Å; Q51-R55 WeakPolarHBondContact O-CB 3.36Å; Q51-R55 PolarHBondContact O-N 3.45Å; Q51-R55 VanDerWaalsContact O-N 3.12Å
52F60.5Low57.6Low71 Ų7196.7 Ų96.731%0.31148%0.475SS..Hα-helixtrans-67.2-45.1175.1177.8-86.3000110.4L47 T48 K50 N56 A328L47-F52 HydrophobicContact CB-CB 3.94Å; L47-F52 HydrophobicContact CD2-CB 4.28Å; T48-F52 PolarHBondContact O-N 3.24Å; K50-F52 PolarHBondContact O-N 3.22Å; F52-N56 WeakPolarHBondContact CD2-ND2 3.47Å; F52-N56 HydrophobicContact CE1-CB 4.46Å; F52-N56 WeakPolarHBondContact CE2-ND2 3.45Å; F52-N56 HydrophobicContact CZ-CB 4.5Å; F52-N56 WeakPolarHBondContact O-CB 3.42Å; F52-N56 PolarHBondContact O-N 2.95Å; F52-N56 VanDerWaalsContact O-N 3.08Å; F52-N56 PolarHBondContact O-ND2 2.89Å; F52-A328 HydrophobicContact CE1-CB 4Å; F52-A328 WeakPolarHBondContact CE1-O 3.48Å; F52-A328 HydrophobicContact CZ-CB 4Å
53V58.5Low60Low13 Ų1396.4 Ų96.48%0.07946%0.463CS..Hα-helixtrans-60-56.7175.9162.70000110R49 K50 R55 N56 C57 I429R49-V53 HydrophobicContact CG-CG2 4.2Å; R49-V53 WeakPolarHBondContact O-CB 3.4Å; R49-V53 WeakPolarHBondContact O-CG2 3.33Å; R49-V53 PolarHBondContact O-N 3.16Å; K50-V53 CarbonylContact O-C 3.59Å; K50-V53 WeakPolarHBondContact O-CB 2.87Å; K50-V53 PolarHBondContact O-N 3.31Å; V53-R55 PolarHBondContact O-N 2.89Å; V53-N56 PolarHBondContact O-N 2.85Å; V53-C57 WeakPolarHBondContact O-CA 3.29Å; V53-C57 WeakPolarHBondContact O-CB 3.42Å; V53-C57 PolarHBondContact O-N 3.27Å; V53-C57 PolarHBondContact O-SG 2.85Å; V53-I429 HydrophobicContact CG1-CD1 3.28Å; V53-I429 HydrophobicContact CG1-CG1 3.78Å
54E63.4Low62.3Low87 Ų8790.2 Ų90.241%0.40743%0.425SS..Hα-helixtrans-51.6-56179.6-71.8163.5161.800111.5K50 N56 E58K50-E54 WeakPolarHBondContact CE-OE1 3.11Å; K50-E54 HydrophobicContact CG-CG 4.34Å; K50-E54 VanDerWaalsContact CG-OE1 3.3Å; K50-E54 WeakPolarHBondContact CG-OE1 3.32Å; K50-E54 IonicContact NZ-OE1 3.66Å; K50-E54 WeakPolarHBondContact O-CB 3.48Å; K50-E54 VanDerWaalsContact O-CG 3.3Å; K50-E54 WeakPolarHBondContact O-CG 3.49Å; K50-E54 PolarHBondContact O-N 2.89Å; E54-N56 PolarHBondContact O-N 2.97Å; E54-E58 PolarHBondContact O-N 3.12Å
55R63.8Low64.6Low197 Ų19787.3 Ų87.374%0.74340%0.398SS*.Hα-helixtrans-73.4-26.5-171.4-160175.3-170.31753.8114.8Q51 V53Q51-R55 VanDerWaalsContact O-CB 3.31Å; Q51-R55 WeakPolarHBondContact O-CB 3.36Å; Q51-R55 PolarHBondContact O-N 3.45Å; Q51-R55 VanDerWaalsContact O-N 3.12Å; V53-R55 PolarHBondContact O-N 2.89Å
56N67Low66.8Low50 Ų5082.3 Ų82.327%0.26738%0.377SS..Hα-helixtrans-92.7-33.7175.8-68.6-92000111.8F52 V53 E54 E58 W59 Y60F52-N56 WeakPolarHBondContact CD2-ND2 3.47Å; F52-N56 HydrophobicContact CE1-CB 4.46Å; F52-N56 WeakPolarHBondContact CE2-ND2 3.45Å; F52-N56 HydrophobicContact CZ-CB 4.5Å; F52-N56 WeakPolarHBondContact O-CB 3.42Å; F52-N56 PolarHBondContact O-N 2.95Å; F52-N56 VanDerWaalsContact O-N 3.08Å; F52-N56 PolarHBondContact O-ND2 2.89Å; V53-N56 PolarHBondContact O-N 2.85Å; E54-N56 PolarHBondContact O-N 2.97Å; N56-E58 PolarHBondContact O-N 3.43Å; N56-W59 PolarHBondContact O-N 3.45Å; N56-Y60 HydrophobicContact CB-CD2 4.1Å; N56-Y60 HydrophobicContact CB-CE2 4.12Å; N56-Y60 WeakPolarHBondContact O-CD2 3.27Å; N56-Y60 PolarHBondContact O-N 2.75Å
57C68.9Low68.9Low4 Ų474.1 Ų74.13%0.02734%0.339CS..Hα-helixtrans-62.9-42.1-178-71.40000111V53 W59 Y60 I61V53-C57 WeakPolarHBondContact O-CA 3.29Å; V53-C57 WeakPolarHBondContact O-CB 3.42Å; V53-C57 PolarHBondContact O-N 3.27Å; V53-C57 PolarHBondContact O-SG 2.85Å; C57-W59 VanDerWaalsContact C-N 3.3Å; C57-W59 PolarHBondContact O-N 3.24Å; C57-Y60 CarbonylContact O-C 3.57Å; C57-Y60 PolarHBondContact O-N 2.79Å; C57-Y60 VanDerWaalsContact O-N 3.15Å; C57-I61 HydrophobicContact CB-CD1 3.97Å; C57-I61 VanDerWaalsContact O-CB 3.32Å; C57-I61 WeakPolarHBondContact O-CB 3.44Å; C57-I61 WeakPolarHBondContact O-CD1 3.38Å; C57-I61 WeakPolarHBondContact O-CG1 3.48Å; C57-I61 PolarHBondContact O-N 2.89Å
58E67.6Low71Confident134 Ų13470.2 Ų70.263%0.62632%0.319SS*.Hα-helixtrans-52.7-47.2175.4-71179.4159.200112.3E54 N56 I61 G62E54-E58 PolarHBondContact O-N 3.12Å; N56-E58 PolarHBondContact O-N 3.43Å; E58-I61 PolarHBondContact O-N 3.28Å; E58-G62 PolarHBondContact O-N 3.18Å
59W71.9Confident72.6Confident140 Ų14070.5 Ų70.553%0.5332%0.315SS..Hα-helixtrans-66.6-41.5177.5-174.988.4000113.2N56 C57 K63N56-W59 PolarHBondContact O-N 3.45Å; C57-W59 VanDerWaalsContact C-N 3.3Å; C57-W59 PolarHBondContact O-N 3.24Å; W59-K63 HydrophobicContact CD2-CD 4.39Å; W59-K63 HydrophobicContact CE3-CD 4.26Å; W59-K63 HydrophobicContact CH2-CD 3.85Å; W59-K63 HydrophobicContact CZ2-CD 3.93Å; W59-K63 HydrophobicContact CZ3-CD 4Å; W59-K63 PolarHBondContact O-N 3.33Å; W59-K63 VanDerWaalsContact O-N 3.17Å
60Y76.3Confident74.1Confident28 Ų2865.4 Ų65.411%0.1130%0.298CS..Hα-helixtrans-66.1-38.5174.8-79.8-68.3000111.8N56 C57 K63 L64 W321 S324 F325 A328N56-Y60 HydrophobicContact CB-CD2 4.1Å; N56-Y60 HydrophobicContact CB-CE2 4.12Å; N56-Y60 WeakPolarHBondContact O-CD2 3.27Å; N56-Y60 PolarHBondContact O-N 2.75Å; C57-Y60 CarbonylContact O-C 3.57Å; C57-Y60 PolarHBondContact O-N 2.79Å; C57-Y60 VanDerWaalsContact O-N 3.15Å; Y60-K63 PolarHBondContact O-N 3.08Å; Y60-L64 WeakPolarHBondContact O-CB 3.45Å; Y60-L64 PolarHBondContact O-N 2.93Å; Y60-W321 AromaticContact CD1-NE1 3.87Å; Y60-W321 PolarHBondContact O-NE1 3.42Å; Y60-S324 PolarHBondContact OH-O 2.96Å; Y60-F325 HydrophobicContact CD1-CB 4.09Å; Y60-F325 HydrophobicContact CD1-CD2 4.06Å; Y60-F325 AromaticContact CD2-CD2 3.83Å; Y60-F325 HydrophobicContact CD2-CD2 3.83Å; Y60-F325 HydrophobicContact CD2-CE2 4.42Å; Y60-F325 HydrophobicContact CE1-CB 4.3Å; Y60-F325 HydrophobicContact CE2-CD2 4.48Å; Y60-F325 AromaticContact CG-CD2 3.63Å; Y60-F325 HydrophobicContact CG-CD2 3.63Å; Y60-F325 HydrophobicContact CG-CE2 4.34Å; Y60-F325 HydrophobicContact CG-CG 4.49Å; Y60-A328 HydrophobicContact CE2-CB 3.72Å
61I76.8Confident75.6Confident9 Ų958.4 Ų58.45%0.04627%0.267CS..Hα-helixtrans-69.1-43.3178.7-64.6154.2000110.3C57 E58 K63 L64 N65 L424 V431 F435C57-I61 HydrophobicContact CB-CD1 3.97Å; C57-I61 VanDerWaalsContact O-CB 3.32Å; C57-I61 WeakPolarHBondContact O-CB 3.44Å; C57-I61 WeakPolarHBondContact O-CD1 3.38Å; C57-I61 WeakPolarHBondContact O-CG1 3.48Å; C57-I61 PolarHBondContact O-N 2.89Å; E58-I61 PolarHBondContact O-N 3.28Å; I61-K63 VanDerWaalsContact C-N 3.32Å; I61-K63 PolarHBondContact O-N 3.21Å; I61-L64 CarbonylContact O-C 3.37Å; I61-L64 WeakPolarHBondContact O-CA 3.4Å; I61-L64 WeakPolarHBondContact O-CB 3.35Å; I61-L64 PolarHBondContact O-N 3.07Å; I61-N65 WeakPolarHBondContact O-CB 3.27Å; I61-N65 PolarHBondContact O-N 3.41Å; I61-L424 HydrophobicContact CD1-CD2 3.91Å; I61-V431 HydrophobicContact CD1-CG1 4.27Å; I61-V431 HydrophobicContact CD1-CG2 3.61Å; I61-V431 HydrophobicContact CG2-CG1 4.02Å; I61-F435 HydrophobicContact CG2-CE1 4.12Å; I61-F435 HydrophobicContact CG2-CZ 3.9Å
62G76.8Confident77.3Confident35 Ų3556.5 Ų56.536%0.36126%0.26SS..Hα-helixtrans-57.5-44.4174.400000112.2E58 L64 N65 F66E58-G62 PolarHBondContact O-N 3.18Å; G62-L64 PolarHBondContact O-N 3.19Å; G62-N65 PolarHBondContact O-N 3.04Å; G62-F66 PolarHBondContact O-N 3.25Å
63K80.8Confident78.8Confident104 Ų10456.1 Ų56.145%0.45226%0.261SS..Hα-helixtrans-64.9-35.9172.9-76.7-166.7167.5-170.60113.5W59 Y60 I61 V67W59-K63 HydrophobicContact CD2-CD 4.39Å; W59-K63 HydrophobicContact CE3-CD 4.26Å; W59-K63 HydrophobicContact CH2-CD 3.85Å; W59-K63 HydrophobicContact CZ2-CD 3.93Å; W59-K63 HydrophobicContact CZ3-CD 4Å; W59-K63 PolarHBondContact O-N 3.33Å; W59-K63 VanDerWaalsContact O-N 3.17Å; Y60-K63 PolarHBondContact O-N 3.08Å; I61-K63 VanDerWaalsContact C-N 3.32Å; I61-K63 PolarHBondContact O-N 3.21Å; K63-V67 WeakPolarHBondContact O-CG2 3.4Å; K63-V67 PolarHBondContact O-N 3.42Å
64L83.1Confident80.4Confident0 Ų056.1 Ų56.10%026%0.259CS..Hα-helixtrans-67.6-45.5175.9-17965.8000111.4Y60 I61 G62 F66 V67 L68 W321 L416 T420 F435Y60-L64 WeakPolarHBondContact O-CB 3.45Å; Y60-L64 PolarHBondContact O-N 2.93Å; I61-L64 CarbonylContact O-C 3.37Å; I61-L64 WeakPolarHBondContact O-CA 3.4Å; I61-L64 WeakPolarHBondContact O-CB 3.35Å; I61-L64 PolarHBondContact O-N 3.07Å; G62-L64 PolarHBondContact O-N 3.19Å; L64-F66 PolarHBondContact O-N 3.44Å; L64-V67 PolarHBondContact O-N 3.02Å; L64-L68 HydrophobicContact CD1-CD1 4.41Å; L64-L68 HydrophobicContact CD1-CG 4.14Å; L64-L68 HydrophobicContact CD2-CD1 4.22Å; L64-L68 HydrophobicContact CG-CD1 3.85Å; L64-L68 HydrophobicContact CG-CG 4.05Å; L64-L68 WeakPolarHBondContact O-CG 3.41Å; L64-L68 PolarHBondContact O-N 2.88Å; L64-W321 HydrophobicContact CB-CZ2 3.79Å; L64-W321 HydrophobicContact CD1-CD2 4.14Å; L64-W321 HydrophobicContact CD1-CE3 4.07Å; L64-W321 HydrophobicContact CD1-CH2 3.99Å; L64-W321 HydrophobicContact CD1-CZ2 4.02Å; L64-W321 HydrophobicContact CD1-CZ3 4.01Å; L64-W321 HydrophobicContact CD2-CH2 3.91Å; L64-W321 HydrophobicContact CD2-CZ2 3.86Å; L64-W321 HydrophobicContact CG-CH2 4.36Å; L64-W321 HydrophobicContact CG-CZ2 4.1Å; L64-L416 HydrophobicContact CD1-CB 4.21Å; L64-L416 HydrophobicContact CD1-CD1 4.22Å; L64-L416 HydrophobicContact CD1-CD2 4.46Å; L64-T420 HydrophobicContact CD2-CG2 3.58Å; L64-T420 WeakPolarHBondContact CD2-OG1 3.27Å; L64-F435 HydrophobicContact CD2-CE1 4.17Å
65N82.1Confident81.9Confident19 Ų1952.4 Ų52.410%0.10224%0.243CC..Hα-helixtrans-56.6-41.3178-74.9-6000110.7I61 G62 L68 Q69 F435I61-N65 WeakPolarHBondContact O-CB 3.27Å; I61-N65 PolarHBondContact O-N 3.41Å; G62-N65 PolarHBondContact O-N 3.04Å; N65-L68 PolarHBondContact O-N 3.27Å; N65-Q69 WeakPolarHBondContact O-CB 3.22Å; N65-Q69 VanDerWaalsContact O-CG 3.27Å; N65-Q69 WeakPolarHBondContact O-CG 3.44Å; N65-Q69 PolarHBondContact O-N 3.42Å; N65-F435 WeakPolarHBondContact OD1-CD1 3.4Å; N65-F435 VanDerWaalsContact OD1-CE1 3.24Å; N65-F435 WeakPolarHBondContact OD1-CE1 3.02Å
66F85.3Confident83.3Confident90 Ų9045.4 Ų45.440%0.39523%0.225SC..Hα-helixtrans-58.7-50.1171179.7-89.7000112.5G62 L64 L68 Q69 Q70G62-F66 PolarHBondContact O-N 3.25Å; L64-F66 PolarHBondContact O-N 3.44Å; F66-L68 PolarHBondContact O-N 2.86Å; F66-Q69 PolarHBondContact O-N 3.3Å; F66-Q70 HydrophobicContact CD1-CG 4.14Å; F66-Q70 HydrophobicContact CE1-CG 3.66Å; F66-Q70 HydrophobicContact CE2-CG 4.16Å; F66-Q70 HydrophobicContact CZ-CG 3.67Å; F66-Q70 WeakPolarHBondContact O-CG 3.33Å; F66-Q70 PolarHBondContact O-N 2.91Å
67V86Confident84.4Confident8 Ų847.4 Ų47.45%0.04823%0.231CC..Hα-helixtrans-61.4-43.9179.2171.30000111.8K63 L64 Q70 F71 A318 L416K63-V67 WeakPolarHBondContact O-CG2 3.4Å; K63-V67 PolarHBondContact O-N 3.42Å; L64-V67 PolarHBondContact O-N 3.02Å; V67-Q70 PolarHBondContact O-N 3.48Å; V67-F71 HydrophobicContact CG1-CD2 4.38Å; V67-F71 HydrophobicContact CG1-CE1 4.15Å; V67-F71 HydrophobicContact CG1-CE2 3.96Å; V67-F71 HydrophobicContact CG1-CZ 3.85Å; V67-F71 WeakPolarHBondContact O-CG 3.44Å; V67-F71 PolarHBondContact O-N 3.26Å; V67-A318 HydrophobicContact CG1-CB 3.84Å; V67-L416 HydrophobicContact CG1-CD1 4.28Å
68L88.6Confident85.4Confident0 Ų047.2 Ų47.20%023%0.23CC..Hα-helixtrans-61.2-48.7177.5-69.9175.2000111.5L64 N65 F66 Q70 F71 L72 H413 L416 L417 F435L64-L68 HydrophobicContact CD1-CD1 4.41Å; L64-L68 HydrophobicContact CD1-CG 4.14Å; L64-L68 HydrophobicContact CD2-CD1 4.22Å; L64-L68 HydrophobicContact CG-CD1 3.85Å; L64-L68 HydrophobicContact CG-CG 4.05Å; L64-L68 WeakPolarHBondContact O-CG 3.41Å; L64-L68 PolarHBondContact O-N 2.88Å; N65-L68 PolarHBondContact O-N 3.27Å; F66-L68 PolarHBondContact O-N 2.86Å; L68-Q70 PolarHBondContact O-N 2.94Å; L68-F71 PolarHBondContact O-N 2.92Å; L68-L72 PolarHBondContact O-N 2.98Å; L68-L72 VanDerWaalsContact O-N 3.14Å; L68-H413 WeakPolarHBondContact CD2-O 3.34Å; L68-H413 PolarHBondContact O-CD2 3.27Å; L68-L416 HydrophobicContact CD2-CB 3.81Å; L68-L416 HydrophobicContact CD2-CD1 4.46Å; L68-L417 HydrophobicContact CD1-CD1 4.11Å; L68-L417 HydrophobicContact CD2-CB 4.35Å; L68-F435 HydrophobicContact CD1-CD1 4.04Å; L68-F435 HydrophobicContact CD1-CE1 4.39Å
69Q89.5Confident86.6Confident82 Ų8243 Ų4338%0.38321%0.212SC..Hα-helixtrans-59.6-45.2176.3-76.7-70.44.800111.8N65 F66 F71 L72 I73 P436N65-Q69 WeakPolarHBondContact O-CB 3.22Å; N65-Q69 VanDerWaalsContact O-CG 3.27Å; N65-Q69 WeakPolarHBondContact O-CG 3.44Å; N65-Q69 PolarHBondContact O-N 3.42Å; F66-Q69 PolarHBondContact O-N 3.3Å; Q69-F71 VanDerWaalsContact C-N 3.33Å; Q69-F71 PolarHBondContact O-N 2.93Å; Q69-L72 PolarHBondContact O-N 3.06Å; Q69-I73 WeakPolarHBondContact O-CB 3.43Å; Q69-I73 VanDerWaalsContact O-CG1 3.25Å; Q69-I73 WeakPolarHBondContact O-CG1 3.49Å; Q69-I73 PolarHBondContact O-N 3.42Å; Q69-P436 HydrophobicContact CG-CG 4.35Å
70Q89.9Confident87.2Confident53 Ų5340 Ų4025%0.24821%0.206CC..Hα-helixtrans-62.6-37.8177.3-70.3-54.7-42.500112.4F66 V67 L68 I73 R74 M314F66-Q70 HydrophobicContact CD1-CG 4.14Å; F66-Q70 HydrophobicContact CE1-CG 3.66Å; F66-Q70 HydrophobicContact CE2-CG 4.16Å; F66-Q70 HydrophobicContact CZ-CG 3.67Å; F66-Q70 WeakPolarHBondContact O-CG 3.33Å; F66-Q70 PolarHBondContact O-N 2.91Å; V67-Q70 PolarHBondContact O-N 3.48Å; L68-Q70 PolarHBondContact O-N 2.94Å; Q70-I73 PolarHBondContact O-N 2.87Å; Q70-R74 WeakPolarHBondContact O-CB 3.36Å; Q70-R74 WeakPolarHBondContact O-CG 3.42Å; Q70-R74 PolarHBondContact O-N 3.06Å; Q70-M314 HydrophobicContact CB-CE 3.37Å; Q70-M314 HydrophobicContact CB-SD 3.97Å; Q70-M314 HydrophobicContact CG-CE 3.98Å; Q70-M314 HydrophobicContact CG-SD 4.23Å
71F92.7Very high87.7Confident0 Ų039.7 Ų39.70%021%0.206CC..Hα-helixtrans-61.2-44.4173.6-72.6-9.2000112.3V67 L68 Q69 R74 A75 M314 F315 A318 L346 Y409 M412 H413 L416V67-F71 HydrophobicContact CG1-CD2 4.38Å; V67-F71 HydrophobicContact CG1-CE1 4.15Å; V67-F71 HydrophobicContact CG1-CE2 3.96Å; V67-F71 HydrophobicContact CG1-CZ 3.85Å; V67-F71 WeakPolarHBondContact O-CG 3.44Å; V67-F71 PolarHBondContact O-N 3.26Å; L68-F71 PolarHBondContact O-N 2.92Å; Q69-F71 VanDerWaalsContact C-N 3.33Å; Q69-F71 PolarHBondContact O-N 2.93Å; F71-R74 PolarHBondContact O-N 3.05Å; F71-A75 VanDerWaalsContact O-CB 3.3Å; F71-A75 WeakPolarHBondContact O-CB 3.38Å; F71-A75 PolarHBondContact O-N 3.45Å; F71-M314 HydrophobicContact CD1-CE 4.4Å; F71-M314 HydrophobicContact CE1-CB 4.09Å; F71-M314 HydrophobicContact CE1-CE 4.34Å; F71-F315 HydrophobicContact CE1-CD2 4.06Å; F71-F315 AromaticContact CE1-CE2 3.91Å; F71-F315 HydrophobicContact CE1-CE2 3.91Å; F71-F315 HydrophobicContact CZ-CD2 4.3Å; F71-F315 HydrophobicContact CZ-CE2 4.11Å; F71-F315 HydrophobicContact CZ-CZ 4.43Å; F71-A318 HydrophobicContact CE2-CB 4.5Å; F71-A318 HydrophobicContact CZ-CB 3.81Å; F71-L346 HydrophobicContact CZ-CD2 4.48Å; F71-Y409 HydrophobicContact CB-CD1 4.34Å; F71-Y409 AromaticContact CD1-CD1 3.61Å; F71-Y409 HydrophobicContact CD1-CD1 3.61Å; F71-Y409 HydrophobicContact CD1-CE1 4.12Å; F71-Y409 HydrophobicContact CE1-CD1 4.16Å; F71-Y409 HydrophobicContact CE1-CE1 4.47Å; F71-Y409 HydrophobicContact CG-CD1 4.16Å; F71-Y409 WeakPolarHBondContact O-CB 3.36Å; F71-M412 HydrophobicContact CD2-CB 4.06Å; F71-M412 HydrophobicContact CE2-CB 3.55Å; F71-M412 HydrophobicContact CZ-CB 4.27Å; F71-H413 HydrophobicContact CB-CB 4.15Å; F71-H413 HydrophobicContact CD2-CB 4.28Å; F71-L416 HydrophobicContact CE2-CD1 3.77Å
72L93.1Very high88.1Confident62 Ų6240.1 Ų40.133%0.32521%0.208SC..Hα-helixtrans-64-44.6175.4-66.1-179.8000112L68 Q69 R74 A75 S76 H413L68-L72 PolarHBondContact O-N 2.98Å; L68-L72 VanDerWaalsContact O-N 3.14Å; Q69-L72 PolarHBondContact O-N 3.06Å; L72-R74 PolarHBondContact O-N 3.15Å; L72-A75 PolarHBondContact O-N 2.96Å; L72-S76 PolarHBondContact O-N 2.82Å; L72-H413 HydrophobicContact CD2-CB 4.48Å
73I92.3Very high88.5Confident63 Ų6345.2 Ų45.232%0.32322%0.222SC..Hα-helixtrans-61.2-43.7178-68.2164.9000111.2Q69 Q70 K77Q69-I73 WeakPolarHBondContact O-CB 3.43Å; Q69-I73 VanDerWaalsContact O-CG1 3.25Å; Q69-I73 WeakPolarHBondContact O-CG1 3.49Å; Q69-I73 PolarHBondContact O-N 3.42Å; Q70-I73 PolarHBondContact O-N 2.87Å; I73-K77 HydrophobicContact CG2-CD 4.21Å; I73-K77 WeakPolarHBondContact O-CG 3.47Å; I73-K77 PolarHBondContact O-N 3.36Å
74R93.1Very high88.4Confident14 Ų1445.9 Ų45.95%0.05323%0.231CC..Hα-helixtrans-69-41.1175.9-65-44.5-59.1-1724.9112.1Q70 F71 L72 S76 K77 V78 E307 I310 Y409Q70-R74 WeakPolarHBondContact O-CB 3.36Å; Q70-R74 WeakPolarHBondContact O-CG 3.42Å; Q70-R74 PolarHBondContact O-N 3.06Å; F71-R74 PolarHBondContact O-N 3.05Å; L72-R74 PolarHBondContact O-N 3.15Å; R74-S76 VanDerWaalsContact C-N 3.3Å; R74-S76 PolarHBondContact O-N 3.48Å; R74-K77 PolarHBondContact O-N 3.01Å; R74-V78 WeakPolarHBondContact O-CG2 3.19Å; R74-V78 PolarHBondContact O-N 2.79Å; R74-E307 IonicContact CZ-OE1 3.86Å; R74-E307 IonicContact CZ-OE2 2.76Å; R74-E307 IonicContact NE-OE1 3.69Å; R74-E307 PolarHBondContact NE-OE1 2.83Å; R74-E307 VanDerWaalsContact NE-OE1 3.1Å; R74-E307 IonicContact NE-OE2 2.77Å; R74-E307 IonicContact NH2-OE1 2.72Å; R74-E307 PolarHBondContact NH2-OE1 3.02Å; R74-E307 IonicContact NH2-OE2 2.86Å; R74-E307 PolarHBondContact NH2-OE2 3.13Å; R74-I310 HydrophobicContact CG-CG2 4.1Å; R74-Y409 HydrophobicContact CB-CD1 4.14Å; R74-Y409 HydrophobicContact CB-CD2 3.74Å; R74-Y409 HydrophobicContact CB-CE1 3.81Å; R74-Y409 HydrophobicContact CB-CE2 3.39Å; R74-Y409 HydrophobicContact CB-CG 4.11Å; R74-Y409 HydrophobicContact CG-CE1 4.08Å; R74-Y409 HydrophobicContact CG-CE2 4.27Å
75A94.1Very high88.1Confident8 Ų846.3 Ų46.37%0.06623%0.233CC..Hα-helixtrans-57.5-43.2174.800000111.8F71 L72 N79 R406 V410F71-A75 VanDerWaalsContact O-CB 3.3Å; F71-A75 WeakPolarHBondContact O-CB 3.38Å; F71-A75 PolarHBondContact O-N 3.45Å; L72-A75 PolarHBondContact O-N 2.96Å; A75-N79 PolarHBondContact O-N 3.23Å; A75-R406 HydrophobicContact CB-CG 4.36Å; A75-V410 HydrophobicContact CB-CG2 3.82Å
76S92.7Very high87.7Confident51 Ų5148.6 Ų48.636%0.35725%0.249SC..Hα-helixtrans-61.8-53173.7-163.30000111.3L72 R74 V78 N79 D80L72-S76 PolarHBondContact O-N 2.82Å; R74-S76 VanDerWaalsContact C-N 3.3Å; R74-S76 PolarHBondContact O-N 3.48Å; S76-V78 VanDerWaalsContact C-N 3.28Å; S76-V78 PolarHBondContact O-N 2.8Å; S76-N79 CarbonylContact O-C 3.55Å; S76-N79 WeakPolarHBondContact O-CA 3.27Å; S76-N79 WeakPolarHBondContact O-CB 3.22Å; S76-N79 PolarHBondContact O-N 2.75Å; S76-D80 VanDerWaalsContact O-CG 3.23Å; S76-D80 PolarHBondContact O-N 3.26Å
77K90Very high87.2Confident91 Ų9149 Ų4940%0.39626%0.259SS..Hα-helixtrans-57-38.4-179.7-75.2178.3177.1-175.60113.2I73 R74 D80 I81I73-K77 HydrophobicContact CG2-CD 4.21Å; I73-K77 WeakPolarHBondContact O-CG 3.47Å; I73-K77 PolarHBondContact O-N 3.36Å; R74-K77 PolarHBondContact O-N 3.01Å; K77-D80 PolarHBondContact O-N 3.05Å; K77-I81 VanDerWaalsContact O-CG1 3.31Å; K77-I81 WeakPolarHBondContact O-CG1 3.19Å; K77-I81 PolarHBondContact O-N 3.13Å
78V91.2Very high86.8Confident0 Ų056.4 Ų56.40%029%0.293CS..Hα-helixtrans-70.6-33.1175.1-179.70000111.6R74 S76 I81 L82 E307 L402 R406 Y409R74-V78 WeakPolarHBondContact O-CG2 3.19Å; R74-V78 PolarHBondContact O-N 2.79Å; S76-V78 VanDerWaalsContact C-N 3.28Å; S76-V78 PolarHBondContact O-N 2.8Å; V78-I81 PolarHBondContact O-N 3.36Å; V78-L82 HydrophobicContact CG1-CD1 4.03Å; V78-L82 HydrophobicContact CG1-CG 4.48Å; V78-L82 WeakPolarHBondContact O-CB 3.5Å; V78-L82 VanDerWaalsContact O-CG 3.26Å; V78-L82 WeakPolarHBondContact O-CG 3.39Å; V78-L82 PolarHBondContact O-N 2.9Å; V78-E307 HydrophobicContact CG2-CG 3.64Å; V78-E307 WeakPolarHBondContact CG2-OE2 3.44Å; V78-L402 HydrophobicContact CG1-CB 3.91Å; V78-L402 HydrophobicContact CG1-CD2 4.12Å; V78-L402 VanDerWaalsContact CG1-O 3.29Å; V78-L402 WeakPolarHBondContact CG1-O 3.23Å; V78-R406 HydrophobicContact CB-CB 4.09Å; V78-R406 HydrophobicContact CB-CG 4.42Å; V78-R406 HydrophobicContact CG1-CB 3.76Å; V78-R406 HydrophobicContact CG1-CG 4.46Å; V78-Y409 HydrophobicContact CG2-CE2 4.36Å
79N91.6Very high86.6Confident47 Ų4758.8 Ų58.825%0.25131%0.305SS..Hα-helixtrans-67.6-43.5173.2-148.374.8000111.4A75 S76 I81 L82 E83 R406A75-N79 PolarHBondContact O-N 3.23Å; S76-N79 CarbonylContact O-C 3.55Å; S76-N79 WeakPolarHBondContact O-CA 3.27Å; S76-N79 WeakPolarHBondContact O-CB 3.22Å; S76-N79 PolarHBondContact O-N 2.75Å; N79-I81 VanDerWaalsContact C-N 3.29Å; N79-I81 PolarHBondContact O-N 2.98Å; N79-L82 CarbonylContact O-C 3.56Å; N79-L82 PolarHBondContact O-N 2.92Å; N79-E83 PolarHBondContact ND2-OE1 2.93Å; N79-E83 WeakPolarHBondContact O-CG 3.46Å; N79-E83 PolarHBondContact O-N 3.05Å; N79-R406 WeakPolarHBondContact OD1-CD 3.38Å; N79-R406 PolarHBondContact OD1-NH1 2.88Å
80D86.3Confident86.3Confident76 Ų7655.8 Ų55.841%0.40629%0.292SS..Hα-helixtrans-57.8-41.5174.3-53.7-25.6000111.1S76 K77 N84S76-D80 VanDerWaalsContact O-CG 3.23Å; S76-D80 PolarHBondContact O-N 3.26Å; K77-D80 PolarHBondContact O-N 3.05Å; D80-N84 PolarHBondContact O-N 2.86Å; D80-N84 PolarHBondContact O-ND2 2.85Å
81I85.3Confident86.1Confident22 Ų2253.7 Ų53.711%0.11328%0.282CS..Hα-helixtrans-60.2-52.6172-68.2164.1000109.8K77 V78 N79 E83 N84 F85 L303 W306 L402K77-I81 VanDerWaalsContact O-CG1 3.31Å; K77-I81 WeakPolarHBondContact O-CG1 3.19Å; K77-I81 PolarHBondContact O-N 3.13Å; V78-I81 PolarHBondContact O-N 3.36Å; N79-I81 VanDerWaalsContact C-N 3.29Å; N79-I81 PolarHBondContact O-N 2.98Å; I81-E83 PolarHBondContact O-N 2.77Å; I81-N84 PolarHBondContact O-N 2.8Å; I81-F85 HydrophobicContact CG2-CD2 4.07Å; I81-F85 HydrophobicContact CG2-CE2 4.27Å; I81-F85 WeakPolarHBondContact O-CD2 3.49Å; I81-F85 PolarHBondContact O-N 3.3Å; I81-L303 HydrophobicContact CD1-CD2 4.02Å; I81-L303 HydrophobicContact CG1-CD2 4.26Å; I81-L303 HydrophobicContact CG2-CD1 4.12Å; I81-W306 HydrophobicContact CD1-CZ3 4.36Å; I81-L402 HydrophobicContact CG2-CD1 3.84Å
82L86.2Confident85.8Confident18 Ų1856.9 Ų56.99%0.09430%0.299CS..Hα-helixtrans-63.5-23.9-177.2-74.4167.2000114.4V78 N79 C399 L402 R403V78-L82 HydrophobicContact CG1-CD1 4.03Å; V78-L82 HydrophobicContact CG1-CG 4.48Å; V78-L82 WeakPolarHBondContact O-CB 3.5Å; V78-L82 VanDerWaalsContact O-CG 3.26Å; V78-L82 WeakPolarHBondContact O-CG 3.39Å; V78-L82 PolarHBondContact O-N 2.9Å; N79-L82 CarbonylContact O-C 3.56Å; N79-L82 PolarHBondContact O-N 2.92Å; L82-C399 HydrophobicContact CD2-CB 4.34Å; L82-C399 WeakPolarHBondContact CD2-O 3.49Å; L82-L402 HydrophobicContact CD1-CB 4.29Å; L82-L402 HydrophobicContact CD2-CB 3.88Å; L82-L402 HydrophobicContact CD2-CD1 4.27Å; L82-L402 HydrophobicContact CG-CB 4.14Å; L82-R403 HydrophobicContact CD1-CB 4.45Å; L82-R403 HydrophobicContact CD1-CG 3.55Å; L82-R403 HydrophobicContact CD2-CG 4.03Å; L82-R403 HydrophobicContact CG-CG 4.46Å
83E84.8Confident85.3Confident141 Ų14156.8 Ų56.866%0.65930%0.302SS*.Hα-helixtrans-76.6-27.8172.9-74.4175.9-159.200112.6N79 I81N79-E83 PolarHBondContact ND2-OE1 2.93Å; N79-E83 WeakPolarHBondContact O-CG 3.46Å; N79-E83 PolarHBondContact O-N 3.05Å; I81-E83 PolarHBondContact O-N 2.77Å
84N77.9Confident84.8Confident118 Ų11859.9 Ų59.963%0.63132%0.32SS*.Hα-helixtrans-82.7-16.1176.4-75.4-75.1000113.6D80 I81D80-N84 PolarHBondContact O-N 2.86Å; D80-N84 PolarHBondContact O-ND2 2.85Å; I81-N84 PolarHBondContact O-N 2.8Å
85F77.1Confident84.2Confident9 Ų959.8 Ų59.84%0.03932%0.32CS..SBendtrans-103.8108175.5-77.7-90000111I81 L259 L300 L303 Y395I81-F85 HydrophobicContact CG2-CD2 4.07Å; I81-F85 HydrophobicContact CG2-CE2 4.27Å; I81-F85 WeakPolarHBondContact O-CD2 3.49Å; I81-F85 PolarHBondContact O-N 3.3Å; F85-L259 HydrophobicContact CE1-CD2 3.73Å; F85-L259 HydrophobicContact CZ-CD2 4.15Å; F85-L300 HydrophobicContact CB-CD2 4.47Å; F85-L300 HydrophobicContact CD1-CD1 4.06Å; F85-L300 HydrophobicContact CD1-CD2 3.55Å; F85-L300 HydrophobicContact CD1-CG 3.69Å; F85-L300 HydrophobicContact CD2-CD2 3.96Å; F85-L300 HydrophobicContact CE1-CD1 4.35Å; F85-L300 HydrophobicContact CE1-CD2 3.66Å; F85-L300 HydrophobicContact CE1-CG 3.57Å; F85-L300 HydrophobicContact CE2-CD2 4.09Å; F85-L300 HydrophobicContact CG-CD2 3.7Å; F85-L300 HydrophobicContact CG-CG 4.36Å; F85-L300 HydrophobicContact CZ-CD2 3.94Å; F85-L300 HydrophobicContact CZ-CG 4.18Å; F85-L303 HydrophobicContact CD2-CD1 4.36Å; F85-L303 HydrophobicContact CE2-CD1 3.31Å; F85-L303 HydrophobicContact CZ-CD1 3.52Å; F85-Y395 HydrophobicContact CD1-CE2 4.04Å
86P73.6Confident83.4Confident67 Ų6759.6 Ų59.644%0.43532%0.319SS..  trans-60.3151.4-178.423.7-32.2000111.8E88 Y395P86-E88 VanDerWaalsContact C-N 3.31Å; P86-E88 CarbonylContact C-O 3.51Å; P86-E88 WeakPolarHBondContact CB-O 3.46Å; P86-E88 WeakPolarHBondContact CG-O 3.46Å; P86-E88 VanDerWaalsContact O-O 3.14Å; P86-Y395 WeakPolarHBondContact CD-OH 3.5Å; P86-Y395 WeakPolarHBondContact O-CE1 3.49Å; P86-Y395 PolarHBondContact O-OH 3.05Å
87T74.5Confident82.7Confident99 Ų9961 Ų6161%0.60732%0.322SS*.SBendtrans-71.9-30.7175-61.90000111.2H396T87-H396 PolarHBondContact O-CE1 3.35Å
88E79.3Confident82.1Confident164 Ų16458.9 Ų58.977%0.76631%0.313SS*.SBendtrans-74144.5162.9-65.7176.3179.100109.8P86P86-E88 VanDerWaalsContact C-N 3.31Å; P86-E88 CarbonylContact C-O 3.51Å; P86-E88 WeakPolarHBondContact CB-O 3.46Å; P86-E88 WeakPolarHBondContact CG-O 3.46Å; P86-E88 VanDerWaalsContact O-O 3.14Å
89M84.1Confident81.4Confident50 Ų5059.9 Ų59.925%0.24632%0.317CS..  trans-72.1138.2-179.9-64.6172.9-72.200110.3F91 Y388 A392 Y395M89-F91 HydrophobicContact CB-CD1 4.48Å; M89-F91 HydrophobicContact CB-CE1 4.29Å; M89-F91 HydrophobicContact CB-CE2 4.49Å; M89-F91 HydrophobicContact CB-CZ 4.29Å; M89-F91 HydrophobicContact CG-CZ 4.34Å; M89-F91 PolarHBondContact O-N 3.16Å; M89-F91 HydrophobicContact SD-CE2 4.15Å; M89-F91 HydrophobicContact SD-CZ 4.1Å; M89-Y388 WeakPolarHBondContact CE-OH 3.49Å; M89-A392 HydrophobicContact CE-CB 4Å; M89-A392 WeakPolarHBondContact SD-CA 3.4Å; M89-A392 HydrophobicContact SD-CB 3.22Å; M89-A392 WeakPolarHBondContact SD-CB 3.43Å; M89-Y395 HydrophobicContact CG-CD1 3.82Å; M89-Y395 HydrophobicContact CG-CE1 4.24Å; M89-Y395 HydrophobicContact CG-CG 4.4Å
90P82.4Confident80.7Confident19 Ų1957.6 Ų57.612%0.12331%0.305CS..SBendtrans-77-4.9179.931.5-35.9000113.7R255 L259 S296 Y395P90-R255 PolarHBondContact O-NH1 3.24Å; P90-L259 HydrophobicContact CB-CD1 4.28Å; P90-L259 HydrophobicContact CG-CD1 4.23Å; P90-S296 VanDerWaalsContact CG-OG 3.27Å; P90-S296 WeakPolarHBondContact CG-OG 3.39Å; P90-Y395 HydrophobicContact CG-CE2 4.01Å
91F85.8Confident80.1Confident9 Ų955.8 Ų55.84%0.03930%0.295CS..  trans-123.8159.5-178.758.5-94.5000111.5M89 D95 N294 V297 Y388 D391 A392 Y395M89-F91 HydrophobicContact CB-CD1 4.48Å; M89-F91 HydrophobicContact CB-CE1 4.29Å; M89-F91 HydrophobicContact CB-CE2 4.49Å; M89-F91 HydrophobicContact CB-CZ 4.29Å; M89-F91 HydrophobicContact CG-CZ 4.34Å; M89-F91 PolarHBondContact O-N 3.16Å; M89-F91 HydrophobicContact SD-CE2 4.15Å; M89-F91 HydrophobicContact SD-CZ 4.1Å; F91-D95 WeakPolarHBondContact CA-OD2 3.41Å; F91-D95 HydrophobicContact CB-CB 4.15Å; F91-D95 VanDerWaalsContact CB-OD2 3.26Å; F91-D95 WeakPolarHBondContact CB-OD2 3.33Å; F91-N294 WeakPolarHBondContact CD1-ND2 3.48Å; F91-N294 WeakPolarHBondContact CD2-ND2 3.35Å; F91-N294 WeakPolarHBondContact CE1-ND2 3.37Å; F91-N294 WeakPolarHBondContact CE2-ND2 3.36Å; F91-N294 WeakPolarHBondContact CG-ND2 3.48Å; F91-V297 HydrophobicContact CE1-CG2 4.36Å; F91-V297 HydrophobicContact CZ-CG2 4.37Å; F91-Y388 HydrophobicContact CD2-CD2 4.24Å; F91-Y388 AromaticContact CD2-CE2 3.98Å; F91-Y388 HydrophobicContact CD2-CE2 3.98Å; F91-Y388 HydrophobicContact CE2-CD2 4.31Å; F91-Y388 HydrophobicContact CE2-CE2 4.1Å; F91-D391 HydrophobicContact CE2-CB 4.23Å; F91-D391 HydrophobicContact CZ-CB 4.31Å; F91-A392 HydrophobicContact CE2-CB 4.48Å; F91-Y395 AromaticContact CE1-CD2 3.93Å; F91-Y395 HydrophobicContact CE1-CD2 3.93Å; F91-Y395 HydrophobicContact CE1-CG 4.13Å; F91-Y395 HydrophobicContact CZ-CG 4.47Å
92D86Confident79Confident66 Ų6655.4 Ų55.435%0.35329%0.294SS..  trans-128.1-177.8-178.770.141000112.3D94 D95 Y388D92-D94 VanDerWaalsContact C-N 3.29Å; D92-D94 PolarHBondContact O-N 3.47Å; D92-D94 WeakPolarHBondContact OD1-CB 3.35Å; D92-D94 PolarHBondContact OD1-N 2.93Å; D92-D95 PolarHBondContact N-OD2 3.5Å; D92-D95 WeakPolarHBondContact O-CB 3.3Å; D92-D95 PolarHBondContact O-N 3.26Å; D92-D95 PolarHBondContact OD1-N 2.96Å; D92-Y388 WeakPolarHBondContact O-CD2 3.47Å
93P82.3Confident77.6Confident60 Ų6057.5 Ų57.539%0.3930%0.302SS..Hα-helixtrans-64.5-26.3-179.4-25.536.3000115.2D95 A96 D97 Y388P93-D95 VanDerWaalsContact C-N 3.29Å; P93-A96 PolarHBondContact O-N 2.81Å; P93-D97 PolarHBondContact O-N 3.17Å; P93-Y388 HydrophobicContact CB-CD2 4.34Å; P93-Y388 HydrophobicContact CB-CG 4.28Å; P93-Y388 HydrophobicContact CG-CD1 4.09Å; P93-Y388 HydrophobicContact CG-CD2 4.15Å; P93-Y388 HydrophobicContact CG-CE1 3.96Å; P93-Y388 HydrophobicContact CG-CE2 4.03Å; P93-Y388 HydrophobicContact CG-CG 4.18Å
94D82.1Confident76.2Confident128 Ų12854.8 Ų54.868%0.68429%0.29SS*.Hα-helixtrans-71.4-31179.2-64.2-10.9000109.8D92 A96 D97 F98D92-D94 VanDerWaalsContact C-N 3.29Å; D92-D94 PolarHBondContact O-N 3.47Å; D92-D94 WeakPolarHBondContact OD1-CB 3.35Å; D92-D94 PolarHBondContact OD1-N 2.93Å; D94-A96 VanDerWaalsContact C-N 3.32Å; D94-A96 PolarHBondContact O-N 3.13Å; D94-D97 PolarHBondContact O-N 3.44Å; D94-F98 PolarHBondContact O-N 2.78Å
95D81.2Confident75Confident13 Ų1355.2 Ų55.27%0.0729%0.286CS..Hα-helixtrans-63.5-36171-66.1-44.7000112.6F91 D92 P93 F98 Y99 M252F91-D95 WeakPolarHBondContact CA-OD2 3.41Å; F91-D95 HydrophobicContact CB-CB 4.15Å; F91-D95 VanDerWaalsContact CB-OD2 3.26Å; F91-D95 WeakPolarHBondContact CB-OD2 3.33Å; D92-D95 PolarHBondContact N-OD2 3.5Å; D92-D95 WeakPolarHBondContact O-CB 3.3Å; D92-D95 PolarHBondContact O-N 3.26Å; D92-D95 PolarHBondContact OD1-N 2.96Å; P93-D95 VanDerWaalsContact C-N 3.29Å; D95-F98 WeakPolarHBondContact O-CB 3.49Å; D95-F98 PolarHBondContact O-N 3.28Å; D95-Y99 HydrophobicContact CB-CD2 4.41Å; D95-Y99 HydrophobicContact CB-CE2 3.88Å; D95-Y99 WeakPolarHBondContact O-CD2 3.42Å; D95-Y99 VanDerWaalsContact O-CG 3.24Å; D95-Y99 PolarHBondContact O-N 3.48Å; D95-M252 WeakPolarHBondContact OD1-CE 3.36Å; D95-M252 WeakPolarHBondContact OD2-CE 3.39Å
96A76.9Confident73.6Confident4 Ų458.6 Ų58.63%0.03330%0.3CS..Hα-helixtrans-69-39.1177.300000111.8P93 D94 F98 Y99 M100 V384 Y388P93-A96 PolarHBondContact O-N 2.81Å; D94-A96 VanDerWaalsContact C-N 3.32Å; D94-A96 PolarHBondContact O-N 3.13Å; A96-F98 VanDerWaalsContact C-N 3.31Å; A96-Y99 PolarHBondContact O-N 3.48Å; A96-M100 WeakPolarHBondContact O-CB 3.32Å; A96-M100 WeakPolarHBondContact O-CG 3.3Å; A96-M100 PolarHBondContact O-N 3.12Å; A96-M100 VanDerWaalsContact O-N 3.08Å; A96-V384 HydrophobicContact CB-CG1 4.27Å; A96-Y388 HydrophobicContact CB-CD2 4.41Å; A96-Y388 HydrophobicContact CB-CG 4.49Å
97D78.4Confident72.1Confident79 Ų7959.3 Ų59.342%0.42231%0.305SS..Hα-helixtrans-59.9-45.5172.4-163.534.5000110.3P93 D94 M100 L101 V384P93-D97 PolarHBondContact O-N 3.17Å; D94-D97 PolarHBondContact O-N 3.44Å; D97-M100 CarbonylContact O-C 3.55Å; D97-M100 WeakPolarHBondContact O-CA 3.09Å; D97-M100 WeakPolarHBondContact O-CB 3.36Å; D97-M100 PolarHBondContact O-N 2.8Å; D97-M100 VanDerWaalsContact O-N 3.1Å; D97-L101 PolarHBondContact O-N 3.18Å; D97-V384 HydrophobicContact CB-CG1 3.79Å
98F77.8Confident70.4Confident47 Ų4761.4 Ų61.421%0.20631%0.313CS..Hα-helixtrans-59.6-48.2175.9-179.6-94000113.3D94 D95 A96 M100 L101 F109 I110D94-F98 PolarHBondContact O-N 2.78Å; D95-F98 WeakPolarHBondContact O-CB 3.49Å; D95-F98 PolarHBondContact O-N 3.28Å; A96-F98 VanDerWaalsContact C-N 3.31Å; F98-M100 PolarHBondContact O-N 2.88Å; F98-L101 WeakPolarHBondContact O-CB 3.46Å; F98-L101 PolarHBondContact O-N 2.9Å; F98-F109 HydrophobicContact CE2-CB 3.97Å; F98-F109 AromaticContact CE2-CD1 3.94Å; F98-F109 HydrophobicContact CE2-CD1 3.94Å; F98-F109 HydrophobicContact CE2-CG 4.33Å; F98-F109 HydrophobicContact CZ-CB 4.48Å; F98-F109 WeakPolarHBondContact CZ-O 3.29Å; F98-I110 HydrophobicContact CE1-CG1 4.35Å; F98-I110 HydrophobicContact CZ-CG1 3.88Å
99Y75.5Confident68.4Low21 Ų2159.2 Ų59.28%0.08230%0.301CS..Hα-helixtrans-69.3-11.9177.1-58.4-41.7000113.5D95 A96 S292 N294 P295D95-Y99 HydrophobicContact CB-CD2 4.41Å; D95-Y99 HydrophobicContact CB-CE2 3.88Å; D95-Y99 WeakPolarHBondContact O-CD2 3.42Å; D95-Y99 VanDerWaalsContact O-CG 3.24Å; D95-Y99 PolarHBondContact O-N 3.48Å; A96-Y99 PolarHBondContact O-N 3.48Å; Y99-S292 WeakPolarHBondContact CA-OG 3.41Å; Y99-S292 WeakPolarHBondContact CD1-OG 3.48Å; Y99-N294 HydrophobicContact CD2-CB 4.35Å; Y99-N294 HydrophobicContact CE2-CB 4.37Å; Y99-P295 VanDerWaalsContact OH-CD 3.27Å; Y99-P295 WeakPolarHBondContact OH-CD 3.47Å; Y99-P295 WeakPolarHBondContact OH-CG 3.22Å
100M78.1Confident66.2Low0 Ų059.2 Ų59.20%030%0.301CS..THydrogen-bonded Turntrans-932.9172.3-71.617961.900113.5A96 D97 F98 F291 L371 Y374 L383 V384 V387A96-M100 WeakPolarHBondContact O-CB 3.32Å; A96-M100 WeakPolarHBondContact O-CG 3.3Å; A96-M100 PolarHBondContact O-N 3.12Å; A96-M100 VanDerWaalsContact O-N 3.08Å; D97-M100 CarbonylContact O-C 3.55Å; D97-M100 WeakPolarHBondContact O-CA 3.09Å; D97-M100 WeakPolarHBondContact O-CB 3.36Å; D97-M100 PolarHBondContact O-N 2.8Å; D97-M100 VanDerWaalsContact O-N 3.1Å; F98-M100 PolarHBondContact O-N 2.88Å; M100-F291 VanDerWaalsContact O-CE1 3.27Å; M100-F291 WeakPolarHBondContact O-CE1 3.47Å; M100-L371 HydrophobicContact CE-CD2 4.43Å; M100-L371 HydrophobicContact CG-CD2 3.7Å; M100-L371 HydrophobicContact SD-CD2 4.49Å; M100-Y374 HydrophobicContact CB-CD1 4.36Å; M100-Y374 HydrophobicContact CB-CE1 4.02Å; M100-Y374 HydrophobicContact CE-CD1 3.59Å; M100-Y374 HydrophobicContact CE-CD2 3.37Å; M100-Y374 HydrophobicContact CE-CE1 4.05Å; M100-Y374 HydrophobicContact CE-CE2 3.85Å; M100-Y374 HydrophobicContact CE-CG 3.21Å; M100-Y374 VanDerWaalsContact O-CE1 3.22Å; M100-Y374 WeakPolarHBondContact O-CE1 3.33Å; M100-L383 HydrophobicContact CE-CB 4.49Å; M100-V384 HydrophobicContact CE-CG2 3.92Å; M100-V384 HydrophobicContact SD-CB 4.19Å; M100-V384 HydrophobicContact SD-CG1 4.29Å; M100-V384 HydrophobicContact SD-CG2 4.04Å; M100-V387 HydrophobicContact CE-CG2 4.17Å; M100-V387 HydrophobicContact CG-CG1 4.32Å; M100-V387 HydrophobicContact SD-CB 3.54Å; M100-V387 VanDerWaalsContact SD-CB 3.54Å; M100-V387 HydrophobicContact SD-CG1 3.94Å; M100-V387 HydrophobicContact SD-CG2 3.55Å; M100-V387 VanDerWaalsContact SD-CG2 3.55Å
101L72Confident63.9Low38 Ų3861 Ų6120%0.19932%0.318CS..SBendtrans-81.8127.4169.6-61-178.5000110.9D97 F98 F103 F106D97-L101 PolarHBondContact O-N 3.18Å; F98-L101 WeakPolarHBondContact O-CB 3.46Å; F98-L101 PolarHBondContact O-N 2.9Å; L101-F103 PolarHBondContact O-N 2.96Å; L101-F106 HydrophobicContact CB-CD2 3.81Å; L101-F106 HydrophobicContact CB-CE2 4.21Å; L101-F106 HydrophobicContact CD1-CD2 4.18Å; L101-F106 HydrophobicContact CD1-CE2 4.36Å; L101-F106 HydrophobicContact CD1-CG 4.32Å; L101-F106 HydrophobicContact CD2-CD2 4.32Å; L101-F106 HydrophobicContact CD2-CE2 3.87Å; L101-F106 HydrophobicContact CD2-CZ 4.35Å; L101-F106 HydrophobicContact CG-CD2 4.32Å; L101-F106 HydrophobicContact CG-CE2 4.37Å
102P62.4Low61.1Low13 Ų1368.4 Ų68.48%0.08435%0.352CS..  trans-62.9130.5175.4-23.834.4000112.1E104 K105 F106 H289 N290 F291P102-E104 VanDerWaalsContact C-N 3.26Å; P102-E104 PolarHBondContact O-N 3.34Å; P102-K105 HydrophobicContact CB-CB 4.48Å; P102-K105 HydrophobicContact CB-CD 4.33Å; P102-K105 HydrophobicContact CG-CD 4.22Å; P102-K105 PolarHBondContact O-N 3.08Å; P102-F106 PolarHBondContact O-N 3.33Å; P102-H289 HydrophobicContact CB-CB 4.03Å; P102-H289 HydrophobicContact CG-CB 4.36Å; P102-N290 WeakPolarHBondContact CA-O 3.38Å; P102-F291 HydrophobicContact CG-CE1 3.83Å; P102-F291 HydrophobicContact CG-CZ 3.89Å
103F58.4Low58.9Low63 Ų6368.1 Ų68.128%0.27636%0.355SS..G310 helixtrans-53.7-41.4-177.6-74.5-99.8000112.4L101 K105 F106 I110 N290L101-F103 PolarHBondContact O-N 2.96Å; F103-K105 PolarHBondContact O-N 3.26Å; F103-F106 CarbonylContact O-C 3.59Å; F103-F106 PolarHBondContact O-N 3.14Å; F103-I110 HydrophobicContact CB-CD1 4.46Å; F103-I110 HydrophobicContact CD1-CB 4.25Å; F103-I110 HydrophobicContact CD1-CD1 3.37Å; F103-I110 HydrophobicContact CD1-CG1 4.38Å; F103-I110 HydrophobicContact CD1-CG2 4.03Å; F103-I110 HydrophobicContact CE1-CB 4.36Å; F103-I110 HydrophobicContact CE1-CD1 3.75Å; F103-I110 HydrophobicContact CE1-CG2 3.63Å; F103-I110 HydrophobicContact CG-CD1 3.84Å; F103-I110 HydrophobicContact CZ-CD1 4.5Å; F103-N290 HydrophobicContact CB-CB 4.28Å; F103-N290 HydrophobicContact CD2-CB 3.43Å; F103-N290 VanDerWaalsContact CD2-CB 3.43Å; F103-N290 WeakPolarHBondContact CD2-O 3.18Å; F103-N290 HydrophobicContact CE2-CB 4.05Å; F103-N290 HydrophobicContact CG-CB 4.23Å; F103-N290 PolarHBondContact N-O 3.34Å
104E53.8Low56.6Low84 Ų8472 Ų7239%0.39337%0.371SS..G310 helixtrans-67.6-22.1-176.5-38.777.5-135.200113.2P102 H289 N290P102-E104 VanDerWaalsContact C-N 3.26Å; P102-E104 PolarHBondContact O-N 3.34Å; E104-H289 WeakPolarHBondContact OE2-CA 3.42Å; E104-H289 IonicContact OE2-CE1 3.55Å; E104-H289 IonicContact OE2-CG 2.64Å; E104-H289 IonicContact OE2-ND1 3.25Å; E104-H289 PolarHBondContact OE2-ND1 3.38Å; E104-N290 WeakPolarHBondContact OE1-CB 3.32Å; E104-N290 PolarHBondContact OE1-N 3.27Å; E104-N290 PolarHBondContact OE1-ND2 2.98Å
105K53.6Low54.2Low126 Ų12673.7 Ų73.755%0.54837%0.374SS..G310 helixtrans-89-18.8-179.7-72.8175.4176.4159.10113P102 F103 H289P102-K105 HydrophobicContact CB-CB 4.48Å; P102-K105 HydrophobicContact CB-CD 4.33Å; P102-K105 HydrophobicContact CG-CD 4.22Å; P102-K105 PolarHBondContact O-N 3.08Å; F103-K105 PolarHBondContact O-N 3.26Å; K105-H289 PolarHBondContact NZ-CE1 3.35Å; K105-H289 VanDerWaalsContact NZ-CE1 3.27Å; K105-H289 PolarHBondContact NZ-NE2 3.38Å
106F47.5Very low51.6Low80 Ų8076.2 Ų76.235%0.35139%0.393SS..  trans-137.254-177.6-60.1-84.8000113L101 P102 F103 N108 F109L101-F106 HydrophobicContact CB-CD2 3.81Å; L101-F106 HydrophobicContact CB-CE2 4.21Å; L101-F106 HydrophobicContact CD1-CD2 4.18Å; L101-F106 HydrophobicContact CD1-CE2 4.36Å; L101-F106 HydrophobicContact CD1-CG 4.32Å; L101-F106 HydrophobicContact CD2-CD2 4.32Å; L101-F106 HydrophobicContact CD2-CE2 3.87Å; L101-F106 HydrophobicContact CD2-CZ 4.35Å; L101-F106 HydrophobicContact CG-CD2 4.32Å; L101-F106 HydrophobicContact CG-CE2 4.37Å; P102-F106 PolarHBondContact O-N 3.33Å; F103-F106 CarbonylContact O-C 3.59Å; F103-F106 PolarHBondContact O-N 3.14Å; F106-N108 PolarHBondContact O-N 3.02Å; F106-N108 VanDerWaalsContact O-N 3.12Å; F106-F109 HydrophobicContact CB-CB 4.23Å; F106-F109 HydrophobicContact CB-CD2 4.4Å; F106-F109 HydrophobicContact CD1-CD2 4.27Å; F106-F109 PolarHBondContact O-N 2.97Å
107P42.9Very low49.4Very low83 Ų8382 Ų8254%0.53942%0.424SS..Hα-helixtrans-59.2-30.4-174.523.9-34.8000113.6F109P107-F109 VanDerWaalsContact C-N 3.31Å; P107-F109 PolarHBondContact O-N 3.3Å
108N38.1Very low47.3Very low143 Ų14382.5 Ų82.577%0.76544%0.439SS*.Hα-helixtrans-77.5-10.7-179.7-64.6-3.7000114.1F106F106-N108 PolarHBondContact O-N 3.02Å; F106-N108 VanDerWaalsContact O-N 3.12Å
109F36.6Very low44.8Very low117 Ų11787.1 Ų87.151%0.51347%0.466SS..Hα-helixtrans-92.7-18.2-177.2-98.3-77.7000113.9F98 F106 P107F98-F109 HydrophobicContact CE2-CB 3.97Å; F98-F109 AromaticContact CE2-CD1 3.94Å; F98-F109 HydrophobicContact CE2-CD1 3.94Å; F98-F109 HydrophobicContact CE2-CG 4.33Å; F98-F109 HydrophobicContact CZ-CB 4.48Å; F98-F109 WeakPolarHBondContact CZ-O 3.29Å; F106-F109 HydrophobicContact CB-CB 4.23Å; F106-F109 HydrophobicContact CB-CD2 4.4Å; F106-F109 HydrophobicContact CD1-CD2 4.27Å; F106-F109 PolarHBondContact O-N 2.97Å; P107-F109 VanDerWaalsContact C-N 3.31Å; P107-F109 PolarHBondContact O-N 3.3Å
110I39Very low42.6Very low50 Ų5092.1 Ų92.126%0.25650%0.498SS..Hα-helixtrans-113.2-9.3-175.4-51.7168.5000111.7F98 F103F98-I110 HydrophobicContact CE1-CG1 4.35Å; F98-I110 HydrophobicContact CZ-CG1 3.88Å; F103-I110 HydrophobicContact CB-CD1 4.46Å; F103-I110 HydrophobicContact CD1-CB 4.25Å; F103-I110 HydrophobicContact CD1-CD1 3.37Å; F103-I110 HydrophobicContact CD1-CG1 4.38Å; F103-I110 HydrophobicContact CD1-CG2 4.03Å; F103-I110 HydrophobicContact CE1-CB 4.36Å; F103-I110 HydrophobicContact CE1-CD1 3.75Å; F103-I110 HydrophobicContact CE1-CG2 3.63Å; F103-I110 HydrophobicContact CG-CD1 3.84Å; F103-I110 HydrophobicContact CZ-CD1 4.5Å
111A33.7Very low40.1Very low57 Ų5797.7 Ų97.747%0.47153%0.532SS..SBendtrans-80-21.3179.300000114.5
112E27.5Very low37.9Very low164 Ų164106 Ų10677%0.76657%0.567SS**THydrogen-bonded Turntrans-125118.1179.6-63.7-172.4149.300109.5
113P38.9Very low36.3Very low61 Ų61110.3 Ų110.340%0.39659%0.592SS.*THydrogen-bonded Turncis-125.691.715.139.2-21.8000114.9H115 S116P113-H115 VanDerWaalsContact C-N 3.29Å; P113-S116 WeakPolarHBondContact CB-OG 3.32Å
114L34.5Very low34.9Very low140 Ų140113 Ų11373%0.73362%0.619SS**SBendtrans-87.6-2150.1-82.3169000112.1
115H31.1Very low33.6Very low164 Ų164115.8 Ų115.876%0.75964%0.636SS**SBendtrans-134.6-9.5-170.8-68.1-30.3000116.6P113P113-H115 VanDerWaalsContact C-N 3.29Å
116S27.1Very low32.4Very low66 Ų66115 Ų11546%0.46264%0.638SS.*THydrogen-bonded Turntrans-86.8136.8170.765.80000110.6P113P113-S116 WeakPolarHBondContact CB-OG 3.32Å
117N31.5Very low31.8Very low126 Ų126115.8 Ų115.867%0.67465%0.653SS**THydrogen-bonded Turntrans80.77-177.7-54.9-37.4000118.6N119N117-N119 PolarHBondContact O-N 3.08Å
118A32.7Very low31.4Very low90 Ų90116.6 Ų116.674%0.74465%0.653SS**  trans-74.855.4157.500000111.7V120A118-V120 PolarHBondContact O-N 3.15Å; A118-V120 VanDerWaalsContact O-N 3.15Å
119N26.7Very low31.1Very low143 Ų143115.7 Ų115.777%0.76565%0.648SS**  trans-71109.6176.5-112.3-26.1000109.8N117N117-N119 PolarHBondContact O-N 3.08Å
120V29.3Very low30.8Very low126 Ų126117 Ų11776%0.76466%0.66SS**SBendtrans6568.5162.1-161.50000115.7A118A118-V120 PolarHBondContact O-N 3.15Å; A118-V120 VanDerWaalsContact O-N 3.15Å
121V25.4Very low30.3Very low117 Ų117120.1 Ų120.171%0.70968%0.676SS**  trans-124.699.4141.5-176.80000109T123V121-T123 HydrophobicContact CG1-CG2 3.79Å; V121-T123 PolarHBondContact O-N 2.98Å
122K26.1Very low30Very low214 Ų214122.8 Ų122.893%0.9369%0.687SS**  trans-75.179.3164.5-77.5-173.1176.4-178.80109.2
123T28.3Very low30.2Very low102 Ų102119.6 Ų119.663%0.62669%0.689SS**  trans-107.6115.9157.243.20000107.5V121 L125V121-T123 HydrophobicContact CG1-CG2 3.79Å; V121-T123 PolarHBondContact O-N 2.98Å; T123-L125 PolarHBondContact O-N 3.01Å
124S27.7Very low29.6Very low119 Ų119123.3 Ų123.383%0.83270%0.701SS**  trans-61.1101.2171.247.80000109.1N126S124-N126 PolarHBondContact O-N 2.76Å
125L27.8Very low29.3Very low144 Ų144122.9 Ų122.975%0.75470%0.698SS**  trans-66.1115.9165.3-79.3167.5000107.4T123 D129T123-L125 PolarHBondContact O-N 3.01Å; L125-D129 WeakPolarHBondContact CD2-OD2 3.36Å
126N28.8Very low29.2Very low110 Ų110122.5 Ų122.559%0.58870%0.699SS**  trans-70.3153.6176.9-147.134.4000108.8S124 D128S124-N126 PolarHBondContact O-N 2.76Å; N126-D128 PolarHBondContact ND2-OD2 2.72Å; N126-D128 PolarHBondContact O-N 2.77Å
127S34.7Very low29.3Very low96 Ų96123.3 Ų123.367%0.67171%0.705SS**G310 helixtrans-65.2-1.2-177470000115.4
128D33.1Very low29.2Very low99 Ų99125 Ų12553%0.52971%0.709SS.*G310 helixtrans-81.3-19.9-173.8-52.8-38.9000113.3N126 L130 L131N126-D128 PolarHBondContact ND2-OD2 2.72Å; N126-D128 PolarHBondContact O-N 2.77Å; D128-L130 PolarHBondContact O-N 2.86Å; D128-L130 VanDerWaalsContact O-N 3.14Å; D128-L131 PolarHBondContact O-N 3.12Å
129D32.3Very low29.2Very low124 Ų124127.7 Ų127.766%0.66371%0.709SS**G310 helixtrans-72.7-0.9179.4-77.9-29.5000114L125L125-D129 WeakPolarHBondContact CD2-OD2 3.36Å
130L31.3Very low29.2Very low145 Ų145125.6 Ų125.676%0.75971%0.705SS**G310 helixtrans-87.2-4176.4-106.7150.7000114D128 T132D128-L130 PolarHBondContact O-N 2.86Å; D128-L130 VanDerWaalsContact O-N 3.14Å; L130-T132 PolarHBondContact O-N 3.05Å
131L27.4Very low29Very low115 Ų115127.4 Ų127.460%0.60271%0.711SS**G310 helixtrans-77.4-6-172.2-97.5159.9000116.2D128 A133D128-L131 PolarHBondContact O-N 3.12Å; L131-A133 VanDerWaalsContact C-N 3.31Å; L131-A133 PolarHBondContact O-N 2.85Å
132T28.1Very low29.1Very low113 Ų113127.5 Ų127.569%0.69372%0.716SS**G310 helixtrans-80.8-4.9-176.4-28.10000114.5L130L130-T132 PolarHBondContact O-N 3.05Å
133A30.7Very low29.3Very low98 Ų98126.7 Ų126.781%0.8172%0.716SS**G310 helixtrans-98.6-5.6-179.900000114.6L131L131-A133 VanDerWaalsContact C-N 3.31Å; L131-A133 PolarHBondContact O-N 2.85Å
134Q27.3Very low29.2Very low139 Ų139128.4 Ų128.465%0.6573%0.727SS**SBendtrans-12026.9-164.9-153.9163.43.800114.3
135L27.1Very low29.3Very low130 Ų130129.6 Ų129.668%0.68173%0.729SS**SBendtrans-121.528.4-174.5-125.4148.6000113.9
136M29.1Very low29.3Very low157 Ų157129.2 Ų129.277%0.77373%0.727SS**SBendtrans-120.8-1.5168.9-77.6-99.95700113.5I139M136-I139 HydrophobicContact CE-CD1 4.44Å
137S29.6Very low29.4Very low83 Ų83133 Ų13358%0.5874%0.742SS**SBendtrans-97.2-5.817856.20000114.9
138E28.6Very low29Very low162 Ų162135.2 Ų135.276%0.75775%0.746SS**SBendtrans-102.220.1-176.7-64-169.5152.400114
139I32.7Very low29.1Very low146 Ų146138.6 Ų138.675%0.74976%0.762SS**SBendtrans-109.6-2.9172.4-58.8177.5000111.5M136M136-I139 HydrophobicContact CE-CD1 4.44Å
140S27.2Very low29.1Very low99 Ų99141.2 Ų141.269%0.69277%0.77SS**SBendtrans-101.391.3163.2-71.60000109
141D25.3Very low29Very low164 Ų164140.1 Ų140.188%0.87777%0.77SS**SBendtrans162.162.6145.9-82-11.7000112.6
142S27Very low29.2Very low118 Ų118141.6 Ų141.683%0.82578%0.778SS**SBendtrans-162.871.5156.9-146.20000113.8
143E30.1Very low29.4Very low197 Ų197144.3 Ų144.392%0.92178%0.783SS**  trans-171.198.1130.5-108.5-179.3-167.900110
144T27.5Very low29.4Very low139 Ų139146 Ų14685%0.85377%0.774SS**  trans-71.5118.6167.947.50000110.8
145V28.6Very low29.6Very low144 Ų144146.2 Ų146.287%0.87377%0.773SS**  trans-145.2130.4136178.90000108.9
146N28.3Very low29.8Very low135 Ų135147.7 Ų147.772%0.72278%0.781SS**  trans-60.7151.6176.7-56.1-46.4000112.8
147E30.6Very low29.8Very low191 Ų191144.2 Ų144.289%0.89379%0.786SS**  -155.2120.5111.7-114.5172.8-151.500111.3
148N27.6Very low29.8Very low142 Ų142144.9 Ų144.976%0.75980%0.797SS**  trans-78.7131.6174.1-64.6-27000109.5
149I33.7Very low30Very low169 Ų169145.9 Ų145.987%0.86780%0.801SS**  trans-134.4113.6143.8-61.3-174.2000107.8
150E33.3Very low29.7Very low180 Ų180147.7 Ų147.784%0.84181%0.807SS**  trans-75.6164.4175.7-69177.6130.300112.2
151T29.8Very low29.9Very low122 Ų122150.3 Ų150.375%0.74881%0.808SS**  trans-64.7151.5179.348.10000114.2
152N30.3Very low30Very low146 Ų146150.6 Ų150.678%0.78180%0.804SS**  -167.9163.2113.1-99.2-11.1000116
153E32.6Very low29.9Very low169 Ų169148 Ų14879%0.7980%0.796SS**  trans-50.8163178.6-44.7175.2128.100113.7
154E31.4Very low29.7Very low135 Ų135145.6 Ų145.663%0.63180%0.795SS**  cis-180163.748.5-143.1-166.216600111.2
155K32.2Very low29.6Very low143 Ų143145.4 Ų145.462%0.62279%0.794SS**  trans75.2119.8150-81.3166.9-176.6138.40124.3
156N29.8Very low29.6Very low160 Ų160143.9 Ų143.986%0.85679%0.787SS**  86.2127129.8-63.1-12.5000122.1
157G30.1Very low29.2Very low85 Ų85143 Ų14388%0.87679%0.79SS**  trans154.1116.4162.200000112.1
158A28.8Very low28.9Very low97 Ų97142.6 Ų142.680%0.80279%0.788SS**  trans-116.6-171.2-175.100000112.9
159E32.3Very low28.8Very low183 Ų183140.6 Ų140.686%0.85579%0.785SS**  trans89.3113.2178.9-54.7177.2-176.700113.9
160Q27.5Very low28.5Very low183 Ų183139.1 Ų139.186%0.85578%0.779SS**  57.1133.566.1-77.2-174.2-25.200113
161E30.8Very low28.2Very low154 Ų154137.6 Ų137.672%0.7278%0.782SS**  cis-129-168.5-6.4-62.3-163.47000109.3
162Q28.3Very low28.2Very low170 Ų170139.9 Ų139.979%0.79478%0.782SS**  cis-150.1-171.72.3-151.2163.972.700109.6
163G23.5Very low28.1Very low63 Ų63143.6 Ų143.665%0.64979%0.785SS**  trans-115.6159.6-167.400000118.5
164T26.2Very low27.9Very low148 Ų148141.5 Ų141.591%0.90878%0.783SS**  trans-163123139.87.70000110.8
165T25.4Very low27.6Very low135 Ų135140.7 Ų140.783%0.82878%0.783SS**  trans-97.7163.2150.239.80000107.6
166P28.7Very low27.6Very low112 Ų112138 Ų13873%0.72778%0.778SS**  cis-142179.823.841.7-22.2000117.7
167C20.7Very low27.8Very low117 Ų117140.3 Ų140.379%0.79178%0.781SS**  trans55.7102.8149.1-88.30000120.5
168Q24.9Very low27.9Very low182 Ų182144.5 Ų144.585%0.8578%0.777SS**  170.6161.2101-92.4-175.63.800112.1
169S25.1Very low28Very low100 Ų100145.6 Ų145.670%0.69977%0.77SS**  trans54.2108.316767.50000118.8
170N26.9Very low27.8Very low138 Ų138147.6 Ų147.674%0.73877%0.77SS**  179.994.3113.8-94.1-54.8000110.9K172N170-K172 PolarHBondContact O-N 2.77Å
171T26.6Very low27.9Very low147 Ų147142.9 Ų142.990%0.90276%0.762SS**  trans-71.873.1159.9-41.50000108.5R173T171-R173 PolarHBondContact O-N 3.25Å; T171-R173 VanDerWaalsContact O-N 3.07Å
172K29.7Very low27.9Very low171 Ų171145 Ų14574%0.74377%0.769SS**  trans-58.8114.5164.3-81.3-177.7177.3176.40106.4N170 V174N170-K172 PolarHBondContact O-N 2.77Å; K172-V174 PolarHBondContact O-N 2.77Å
173R28.3Very low27.8Very low223 Ų223145.5 Ų145.584%0.84277%0.769SS**  trans-48.4109.3165.4-87.1-177.5168.5-176.1-6.6107.6T171 L175T171-R173 PolarHBondContact O-N 3.25Å; T171-R173 VanDerWaalsContact O-N 3.07Å; R173-L175 PolarHBondContact O-N 3.3Å
174V28.7Very low28.1Very low126 Ų126150.2 Ų150.276%0.76478%0.779SS**  trans-7387.4163.5179.20000105.1K172 T176K172-V174 PolarHBondContact O-N 2.77Å; V174-T176 HydrophobicContact CG1-CG2 4.28Å; V174-T176 PolarHBondContact O-N 2.88Å
175L26Very low28.2Very low117 Ų117148.2 Ų148.261%0.61377%0.771SS**  trans-61.894.3164.1-77.8163.5000106.5R173 D179R173-L175 PolarHBondContact O-N 3.3Å; L175-D179 HydrophobicContact CD2-CB 4.39Å; L175-D179 WeakPolarHBondContact CD2-OD2 3.35Å
176T30.9Very low28.4Very low87 Ų87150.5 Ų150.553%0.53477%0.769SS.*  trans-60.3144.6171.142.30000108.4V174 Q178 D179V174-T176 HydrophobicContact CG1-CG2 4.28Å; V174-T176 PolarHBondContact O-N 2.88Å; T176-Q178 PolarHBondContact O-N 2.77Å; T176-D179 PolarHBondContact O-N 3.48Å
177K34.5Very low28.4Very low209 Ų209151.1 Ų151.191%0.90977%0.773SS**THydrogen-bonded Turntrans-66.26.7-168.3-70.4179.9176.61760115.2
178Q32.8Very low28.8Very low172 Ų172152.3 Ų152.380%0.80478%0.777SS**THydrogen-bonded Turntrans-82.9-17.6175.2-74.4178.6-26.600113.6T176 R180T176-Q178 PolarHBondContact O-N 2.77Å; Q178-R180 PolarHBondContact O-N 2.85Å
179D29.6Very low28.9Very low120 Ų120151.9 Ų151.964%0.64278%0.775SS**THydrogen-bonded Turntrans-71.531.4176.6-85.4-16.1000115.1L175 T176L175-D179 HydrophobicContact CD2-CB 4.39Å; L175-D179 WeakPolarHBondContact CD2-OD2 3.35Å; T176-D179 PolarHBondContact O-N 3.48Å
180R29.4Very low29.1Very low225 Ų225153.6 Ų153.685%0.84978%0.776SS**THydrogen-bonded Turntrans-126.62.3176.6-77.5-168.4176.4-172.7-0.1115.5Q178 F182Q178-R180 PolarHBondContact O-N 2.85Å; R180-F182 VanDerWaalsContact C-N 3.32Å; R180-F182 PolarHBondContact O-N 3.04Å
181A29.9Very low29.1Very low84 Ų84156.5 Ų156.569%0.69479%0.785SS**THydrogen-bonded Turntrans-76.1-9.2-177.600000115.7
182F29.9Very low29.1Very low200 Ų200155.4 Ų155.488%0.87778%0.782SS**THydrogen-bonded Turntrans-116.637.8-176.1-82.9-78.9000114.7R180R180-F182 VanDerWaalsContact C-N 3.32Å; R180-F182 PolarHBondContact O-N 3.04Å
183K27.1Very low29Very low180 Ų180152.7 Ų152.778%0.78378%0.784SS**SBendtrans-131.9140.8158.7-70.9-172.7176.8178.70109.6
184D28.2Very low29.1Very low161 Ų161150.1 Ų150.186%0.86178%0.782SS**  trans78.923.9177.3-50.9-25.6000118.1K186D184-K186 PolarHBondContact O-N 3.36Å; D184-K186 VanDerWaalsContact O-N 3.1Å
185S29.9Very low29.1Very low106 Ų106147.6 Ų147.674%0.74177%0.77SS**  trans-68.4101.9153.647.80000109.9
186K29.5Very low29.5Very low183 Ų183148.9 Ų148.980%0.79678%0.776SS**  trans-53.7148.3165.4-73.5176.3177.7174.10109.7D184 V188D184-K186 PolarHBondContact O-N 3.36Å; D184-K186 VanDerWaalsContact O-N 3.1Å; K186-V188 PolarHBondContact O-N 3.48Å
187P27.4Very low29.7Very low125 Ų125150.7 Ų150.781%0.81278%0.783SS**  trans-61.8113.7169.327.7-32.8000108.4
188V30.6Very low29.6Very low143 Ų143147.3 Ų147.387%0.86777%0.771SS**  trans-79.8119.4165.1177.80000106K186K186-V188 PolarHBondContact O-N 3.48Å
189E26.5Very low29.7Very low172 Ų172145.6 Ų145.680%0.80476%0.762SS**  trans-67.8146.9179-67.1175.1139.900111.2
190D28Very low30Very low137 Ų137142.4 Ų142.473%0.73375%0.749SS**  trans22.198.4160.3-71.4-27.4000119.2
191H28.1Very low30.2Very low199 Ų199139.1 Ų139.192%0.92174%0.744SS**  trans-149.861.9135.3-79.2-41000111.1
192C26.5Very low30.7Very low124 Ų124140.6 Ų140.684%0.83874%0.74SS**  trans-126.565.6164.3-161.50000110.2
193S28.1Very low30.9Very low113 Ų113136.1 Ų136.179%0.7973%0.725SS**  trans-114.547177.8-54.40000110.9
194Q29.7Very low31.2Very low170 Ų170133 Ų13379%0.79472%0.716SS**  trans-88.1130.4160.7-78.3-175.6-28.600108.5
195S28.7Very low31.4Very low72 Ų72132.8 Ų132.850%0.50371%0.71SS.*  trans-75.3138.6-172.886.40000111N197 E198S195-N197 PolarHBondContact O-N 2.87Å; S195-E198 PolarHBondContact O-N 3.05Å
196L33.6Very low31.8Very low144 Ų144133.9 Ų133.975%0.75471%0.707SS**THydrogen-bonded Turntrans-64-7.9-177.7-84.1161.5000114.7E198L196-E198 VanDerWaalsContact C-N 3.34Å; L196-E198 PolarHBondContact O-N 2.98Å
197N34.9Very low31.9Very low126 Ų126129.5 Ų129.567%0.67470%0.699SS**Hα-helixtrans-71.2-24.1177.6-89.324.7000113.8S195 S200S195-N197 PolarHBondContact O-N 2.87Å; N197-S200 PolarHBondContact O-OG 3.07Å
198E33.4Very low32.1Very low138 Ų138127.3 Ų127.365%0.64569%0.692SS**Hα-helixtrans-86.1-15.4-176.4-67.5176.7165.100113.2S195 L196S195-E198 PolarHBondContact O-N 3.05Å; L196-E198 VanDerWaalsContact C-N 3.34Å; L196-E198 PolarHBondContact O-N 2.98Å
199Q35.1Very low32.2Very low135 Ų135128.8 Ų128.863%0.63169%0.689SS**Hα-helixtrans-92.9-19.9174-74.3-166.8-18.700113.8
200S35.2Very low32.2Very low53 Ų53127.1 Ų127.137%0.37168%0.681SS.*Hα-helixtrans-73.3-30.117942.30000113.9N197 N204N197-S200 PolarHBondContact O-OG 3.07Å; S200-N204 PolarHBondContact O-N 2.87Å; S200-N204 PolarHBondContact O-ND2 2.86Å
201E34.3Very low32.3Very low157 Ų157129.9 Ų129.973%0.73469%0.687SS**Hα-helixtrans-71.8-39.7-178.3-65-171155.800112L203E201-L203 VanDerWaalsContact C-N 3.35Å; E201-L203 PolarHBondContact O-N 3.36Å
202N40.3Very low32.2Very low114 Ų114129.5 Ų129.561%0.6168%0.677SS**Hα-helixtrans-72-20.6176.6-91-56.7000114.7
203L33.1Very low32.2Very low106 Ų106130.6 Ų130.656%0.55567%0.674SS**Hα-helixtrans-85.5-25.9179.3-75.1170.5000113.2E201 E205 I206 S207E201-L203 VanDerWaalsContact C-N 3.35Å; E201-L203 PolarHBondContact O-N 3.36Å; L203-E205 VanDerWaalsContact C-N 3.31Å; L203-E205 PolarHBondContact O-N 3.38Å; L203-I206 PolarHBondContact O-N 3.32Å; L203-S207 PolarHBondContact O-N 3.1Å
204N33.9Very low32.4Very low114 Ų114131.2 Ų131.261%0.6168%0.675SS**Hα-helixtrans-73.2-21.7176.6-77.8-25.7000113.4S200 S207S200-N204 PolarHBondContact O-N 2.87Å; S200-N204 PolarHBondContact O-ND2 2.86Å; N204-S207 PolarHBondContact O-OG 3.25Å
205E33.3Very low32.2Very low157 Ų157130.3 Ų130.373%0.73468%0.676SS**THydrogen-bonded Turntrans-79.7-22.8177.5-151165.6-145.700112.4L203L203-E205 VanDerWaalsContact C-N 3.31Å; L203-E205 PolarHBondContact O-N 3.38Å
206I37.5Very low32.1Very low130 Ų130136.4 Ų136.467%0.66769%0.694SS**THydrogen-bonded Turntrans-85.7-29.8177.2-58.4175.4000111.7L203 A208L203-I206 PolarHBondContact O-N 3.32Å; I206-A208 PolarHBondContact O-N 3.15Å
207S32.1Very low31.9Very low90 Ų90138.4 Ų138.463%0.62970%0.699SS**THydrogen-bonded Turntrans-75.7-8.7179.167.90000114.4L203 N204L203-S207 PolarHBondContact O-N 3.1Å; N204-S207 PolarHBondContact O-OG 3.25Å
208A31.2Very low31.6Very low80 Ų80141.4 Ų141.466%0.66171%0.709SS**THydrogen-bonded Turntrans-84.5-7.4-179.900000114.7I206 E210I206-A208 PolarHBondContact O-N 3.15Å; A208-E210 PolarHBondContact O-N 3.49Å
209Q32Very low31.4Very low173 Ų173143.1 Ų143.181%0.80872%0.717SS**SBendtrans-82101.5169.3-76.7-170.2-8.900110.2F211Q209-F211 PolarHBondContact O-N 3.16Å; Q209-F211 VanDerWaalsContact O-N 3.13Å
210E27.4Very low31.1Very low138 Ų138145.1 Ų145.165%0.64572%0.724SS**  trans-46.9119.4169.2-72.9-173.8146.900110.4A208 R212A208-E210 PolarHBondContact O-N 3.49Å; E210-R212 HydrophobicContact CB-CG 4.11Å; E210-R212 PolarHBondContact O-N 3.23Å; E210-R212 IonicContact OE1-NH2 3.51Å; E210-R212 IonicContact OE2-CZ 3.72Å; E210-R212 IonicContact OE2-NE 3.17Å; E210-R212 PolarHBondContact OE2-NE 3.11Å; E210-R212 IonicContact OE2-NH2 2.96Å; E210-R212 PolarHBondContact OE2-NH2 3.19Å
211F29.9Very low30.8Very low194 Ų194150.3 Ų150.385%0.85175%0.746SS**  trans-72.471.1171.8-136.3-85000109.8Q209 L213Q209-F211 PolarHBondContact O-N 3.16Å; Q209-F211 VanDerWaalsContact O-N 3.13Å; F211-L213 PolarHBondContact O-N 3.17Å; F211-L213 VanDerWaalsContact O-N 3.12Å
212R25.8Very low30.5Very low191 Ų191147.7 Ų147.772%0.72175%0.745SS**  trans-73.4102172.9-69.4-164.1-176-154.5-2109.3E210 P214E210-R212 HydrophobicContact CB-CG 4.11Å; E210-R212 PolarHBondContact O-N 3.23Å; E210-R212 IonicContact OE1-NH2 3.51Å; E210-R212 IonicContact OE2-CZ 3.72Å; E210-R212 IonicContact OE2-NE 3.17Å; E210-R212 PolarHBondContact OE2-NE 3.11Å; E210-R212 IonicContact OE2-NH2 2.96Å; E210-R212 PolarHBondContact OE2-NH2 3.19Å; R212-P214 WeakPolarHBondContact O-CD 3.4Å
213L27.6Very low29.9Very low147 Ų147148.9 Ų148.977%0.7775%0.75SS**  trans-44.9127156.9-85.5145.5000109.4F211 D215F211-L213 PolarHBondContact O-N 3.17Å; F211-L213 VanDerWaalsContact O-N 3.12Å; L213-D215 VanDerWaalsContact C-N 3.31Å; L213-D215 PolarHBondContact O-N 3.13Å
214P30.7Very low29.6Very low126 Ų126152.2 Ų152.282%0.81876%0.763SS**  trans-69.682.7177.9-22.835.3000112.8R212 K216R212-P214 WeakPolarHBondContact O-CD 3.4Å; P214-K216 VanDerWaalsContact C-N 3.27Å; P214-K216 PolarHBondContact O-N 3.35Å
215D25.6Very low29.5Very low152 Ų152156.2 Ų156.281%0.81378%0.775SS**  trans-65.485.6163.7-96.5-26.8000110L213L213-D215 VanDerWaalsContact C-N 3.31Å; L213-D215 PolarHBondContact O-N 3.13Å
216K27.8Very low29.5Very low199 Ų199155.9 Ų155.987%0.86577%0.773SS**  trans176.581.1150.9-97154.5-170.91780113.4P214P214-K216 VanDerWaalsContact C-N 3.27Å; P214-K216 PolarHBondContact O-N 3.35Å
217Q29.5Very low29.1Very low187 Ų187159.9 Ų159.987%0.87478%0.78SS**  -16157.2128.9-112.51787.600110.7E219Q217-E219 PolarHBondContact O-N 3.27Å
218Q27Very low28.8Very low189 Ų189160.2 Ų160.288%0.88378%0.783SS**  trans-76.173.3165.1-160.7177.654.500108.6K220Q218-K220 PolarHBondContact O-N 3.05Å
219E30.3Very low28.8Very low173 Ų173164 Ų16481%0.80879%0.792SS**  trans-67.3114.7176.1-157.5168.6-133.200108.4Q217 I221Q217-E219 PolarHBondContact O-N 3.27Å; E219-I221 PolarHBondContact O-N 3.35Å
220K29.4Very low28.6Very low177 Ų177164.3 Ų164.377%0.7779%0.793SS**  trans-68.6103.3-175.2-73.7177.4175.8177.20109.5Q218 S222Q218-K220 PolarHBondContact O-N 3.05Å; K220-S222 PolarHBondContact O-N 3.09Å
221I27.3Very low28.8Very low163 Ų163169.6 Ų169.684%0.83681%0.807SS**  trans-6788.3159.5-56.1175.6000107.3E219E219-I221 PolarHBondContact O-N 3.35Å
222S29.6Very low28.7Very low102 Ų102169.2 Ų169.271%0.71381%0.808SS**  trans-94.3125.2165.5-74.80000109.3K220K220-S222 PolarHBondContact O-N 3.09Å
223L26.9Very low29.6Very low139 Ų139165.9 Ų165.973%0.72881%0.811SS**  trans-66154174.9-98.779.4000112.2
224E25.7Very low29.9Very low175 Ų175165 Ų16582%0.81881%0.814SS**  trans68.1100.5153.2-69.1174.1173.900119.4
225K33.2Very low29.8Very low199 Ų199163.1 Ų163.187%0.86581%0.809SS**  -151.7107.3116.8-112.5172-176.2179.50113.1
226E33.3Very low30.1Very low149 Ų149162.9 Ų162.970%0.69681%0.808SS**  trans23.1130.7139.6-70.9-167.9109.800122.4
227R28.4Very low30.3Very low215 Ų215160.6 Ų160.681%0.81180%0.804SS**  34.5139.3123.1-62.6172.4173.1153.1-7.1118.5
228S26Very low30.4Very low97 Ų97157.5 Ų157.568%0.67880%0.8SS**  cis179.2151.70.543.80000107.6
229N32.3Very low30.4Very low160 Ų160156.6 Ų156.686%0.85680%0.796SS**  trans-173148.8136.3-97.7-17.5000112.9
230E26.7Very low30.2Very low178 Ų178153.9 Ų153.983%0.83280%0.797SS**  trans-77.5154.1-175.9-54.1160.4122.800112.5
231R31.3Very low30.1Very low250 Ų250150.7 Ų150.794%0.94380%0.797SS**  -160.2133.2127.5-109.7169.1-168.8-158.41.5112.3
232Q28.8Very low30.1Very low185 Ų185149.6 Ų149.686%0.86480%0.797SS**  trans-76.1163.4178.3-85.8180-20.200112.9
233P43.6Very low30Very low122 Ų122154 Ų15479%0.79280%0.804SS**  trans-84.8167-177.336.4-37.6000112.8
234P33.8Very low30.1Very low128 Ų128152.3 Ų152.383%0.83180%0.804SS**  trans-116.1146.1161.236.5-26.2000113
235A28.5Very low30.5Very low87 Ų87150.3 Ų150.372%0.71980%0.803SS**  trans-110.7156.6167.800000110.9
236N32.5Very low30.2Very low147 Ų147147.2 Ų147.279%0.78680%0.796SS**  trans121.290.9160.9-62.1-23.4000115.9
237L31.8Very low30.1Very low150 Ų150152.1 Ų152.179%0.78581%0.808SS**  56.2152.8113.9-75.9167.2000120
238P32.9Very low30.1Very low122 Ų122150.3 Ų150.379%0.79281%0.809SS**  cis-142.9-163.942.141.9-20.1000117.6
239E26.4Very low30.3Very low170 Ų170147.9 Ų147.979%0.79480%0.8SS**  trans-77.7168.8-158-59.1167116.400117.4
240S25.3Very low30.3Very low117 Ų117146.9 Ų146.982%0.81880%0.804SS**  trans79.9100.3158.375.10000118.9
241S27.6Very low30.6Very low110 Ų110144.9 Ų144.977%0.76979%0.792SS**  -174.3132.5106.748.40000112.2K243S241-K243 PolarHBondContact O-N 2.86Å
242T27.4Very low31.2Very low139 Ų139135.4 Ų135.485%0.85376%0.759SS**  trans-2102.915436.50000117.7
243K28.1Very low31.8Very low195 Ų195130.4 Ų130.485%0.84874%0.739SS**  trans-146109.9134.6-107169.7-172.11800108.8S241 T245S241-K243 PolarHBondContact O-N 2.86Å; K243-T245 VanDerWaalsContact C-N 3.32Å; K243-T245 PolarHBondContact O-N 3.26Å
244S28Very low31.3Very low104 Ų104127.4 Ų127.473%0.72773%0.73SS**  trans-59.8101.1154.644.80000106.8D246S244-D246 PolarHBondContact O-N 3.07Å
245T34.2Very low31.5Very low132 Ų132128.5 Ų128.581%0.8172%0.718SS**  trans-63.2100.6153.537.30000105.6K243 R247K243-T245 VanDerWaalsContact C-N 3.32Å; K243-T245 PolarHBondContact O-N 3.26Å; T245-R247 PolarHBondContact O-N 2.96Å
246D27.6Very low32.1Very low134 Ų134125.8 Ų125.872%0.71769%0.692SS**  trans-42.9128.2160.9-70.5-52.5000107.4S244 Q248S244-D246 PolarHBondContact O-N 3.07Å; D246-Q248 PolarHBondContact O-N 3.44Å
247R30.9Very low32.4Very low252 Ų252121.9 Ų121.995%0.95167%0.674SS**  trans-69.573164.1-76.3-177.6171.9-172.2-3.8106.8T245 G249T245-R247 PolarHBondContact O-N 2.96Å; R247-G249 PolarHBondContact O-N 3.32Å
248Q29.3Very low33Very low177 Ų177122.6 Ų122.683%0.82767%0.671SS**  trans-66.590.3166.2-164.5166.219.800104.9D246 C250D246-Q248 PolarHBondContact O-N 3.44Å; Q248-C250 PolarHBondContact O-N 2.9Å; Q248-C250 VanDerWaalsContact O-N 3.1Å
249G29.6Very low33.4Very low47 Ų47118.1 Ų118.149%0.48564%0.64SS.*  trans-56.1119.7-173.300000108.9R247 F251R247-G249 PolarHBondContact O-N 3.32Å; G249-F251 PolarHBondContact O-N 2.91Å
250C33Very low34Very low138 Ų138113.4 Ų113.493%0.93262%0.62SS**  trans-71.765.6166.2-76.80000108.7Q248 M252Q248-C250 PolarHBondContact O-N 2.9Å; Q248-C250 VanDerWaalsContact O-N 3.1Å; C250-M252 PolarHBondContact O-N 3.47Å
251F32.3Very low35Very low136 Ų136113.4 Ų113.460%0.59661%0.611SS**  trans-67.4111.4175.9-89.7-85.4000109.3G249 D253G249-F251 PolarHBondContact O-N 2.91Å; F251-D253 VanDerWaalsContact C-N 3.28Å; F251-D253 PolarHBondContact O-N 3.37Å
252M43.4Very low35.9Very low51 Ų51109.8 Ų109.825%0.25159%0.585SS.*SBendtrans60.1-25.9148.7-76.2-63.9178.100122.5D95 C250 G254 R255 T256D95-M252 WeakPolarHBondContact OD1-CE 3.36Å; D95-M252 WeakPolarHBondContact OD2-CE 3.39Å; C250-M252 PolarHBondContact O-N 3.47Å; M252-G254 PolarHBondContact O-N 3.16Å; M252-R255 PolarHBondContact O-N 3.37Å; M252-T256 HydrophobicContact CB-CG2 3.92Å; M252-T256 HydrophobicContact CG-CG2 4.14Å; M252-T256 PolarHBondContact O-N 3.16Å; M252-T256 PolarHBondContact O-OG1 2.85Å; M252-T256 VanDerWaalsContact O-OG1 3.13Å; M252-T256 HydrophobicContact SD-CG2 3.75Å
253D41.5Very low36.7Very low81 Ų81105.4 Ų105.443%0.43356%0.555SS.*THydrogen-bonded Turntrans-52.7-28.6-160.2-122.63.9000115.9F251 T257F251-D253 VanDerWaalsContact C-N 3.28Å; F251-D253 PolarHBondContact O-N 3.37Å; D253-T257 VanDerWaalsContact O-CG2 3.27Å; D253-T257 WeakPolarHBondContact O-CG2 3.46Å; D253-T257 PolarHBondContact O-OG1 3.39Å
254G33.6Very low37.8Very low59 Ų5998.6 Ų98.661%0.60853%0.526SS*.THydrogen-bonded Turntrans-96.2-11.2-179.400000116.9M252M252-G254 PolarHBondContact O-N 3.16Å
255R38.5Very low39Very low150 Ų150101.7 Ų101.757%0.56653%0.526SS*.THydrogen-bonded Turntrans-105.8-44.8-178.4-62.6-170.3-159.5166.88.3112.2P90 M252 T257 K258 L259P90-R255 PolarHBondContact O-NH1 3.24Å; M252-R255 PolarHBondContact O-N 3.37Å; R255-T257 VanDerWaalsContact C-N 3.32Å; R255-T257 PolarHBondContact O-N 3.46Å; R255-K258 PolarHBondContact O-N 3.37Å; R255-L259 PolarHBondContact O-N 2.95Å
256T40Very low39.9Very low30 Ų3097 Ų9718%0.18449%0.493CS..Hα-helixtrans-58.1-45.6175.246.70000110.9M252 K258 L259 D260M252-T256 HydrophobicContact CB-CG2 3.92Å; M252-T256 HydrophobicContact CG-CG2 4.14Å; M252-T256 PolarHBondContact O-N 3.16Å; M252-T256 PolarHBondContact O-OG1 2.85Å; M252-T256 VanDerWaalsContact O-OG1 3.13Å; M252-T256 HydrophobicContact SD-CG2 3.75Å; T256-K258 CarbonylContact O-C 3.6Å; T256-K258 PolarHBondContact O-N 2.93Å; T256-L259 CarbonylContact O-C 3.54Å; T256-L259 WeakPolarHBondContact O-CA 3.47Å; T256-L259 WeakPolarHBondContact O-CB 3.43Å; T256-L259 PolarHBondContact O-N 2.68Å; T256-D260 VanDerWaalsContact C-OD2 3.27Å; T256-D260 PolarHBondContact O-N 2.92Å; T256-D260 VanDerWaalsContact O-OD2 3.11Å
257T39.7Very low40.9Very low65 Ų6597.5 Ų97.540%0.39949%0.485SS..Hα-helixtrans-56-22.6179.543.70000115.2D253 R255 N261D253-T257 VanDerWaalsContact O-CG2 3.27Å; D253-T257 WeakPolarHBondContact O-CG2 3.46Å; D253-T257 PolarHBondContact O-OG1 3.39Å; R255-T257 VanDerWaalsContact C-N 3.32Å; R255-T257 PolarHBondContact O-N 3.46Å; T257-N261 WeakPolarHBondContact O-CB 3.26Å; T257-N261 PolarHBondContact O-ND2 3.25Å
258K43.5Very low41.8Very low166 Ų16694.7 Ų94.772%0.72248%0.475SS*.Hα-helixtrans-82-42.6169.2-77.7-172175.1-175.80112.8R255 T256 C262R255-K258 PolarHBondContact O-N 3.37Å; T256-K258 CarbonylContact O-C 3.6Å; T256-K258 PolarHBondContact O-N 2.93Å; K258-C262 WeakPolarHBondContact O-CB 3.5Å; K258-C262 PolarHBondContact O-N 3.13Å
259L41.1Very low42.5Very low28 Ų2888.7 Ų88.715%0.14745%0.452CS..Hα-helixtrans-63.6-43.2176.3-88.6153.3000111.8F85 P90 R255 T256 C262 F263 S296 C299F85-L259 HydrophobicContact CE1-CD2 3.73Å; F85-L259 HydrophobicContact CZ-CD2 4.15Å; P90-L259 HydrophobicContact CB-CD1 4.28Å; P90-L259 HydrophobicContact CG-CD1 4.23Å; R255-L259 PolarHBondContact O-N 2.95Å; T256-L259 CarbonylContact O-C 3.54Å; T256-L259 WeakPolarHBondContact O-CA 3.47Å; T256-L259 WeakPolarHBondContact O-CB 3.43Å; T256-L259 PolarHBondContact O-N 2.68Å; L259-C262 CarbonylContact O-C 3.57Å; L259-C262 WeakPolarHBondContact O-CA 3.3Å; L259-C262 WeakPolarHBondContact O-CB 3.5Å; L259-C262 PolarHBondContact O-N 2.75Å; L259-C262 VanDerWaalsContact O-N 3.13Å; L259-F263 WeakPolarHBondContact O-CB 3.44Å; L259-F263 PolarHBondContact O-N 3.24Å; L259-S296 WeakPolarHBondContact CD1-OG 3.34Å; L259-C299 HydrophobicContact CD2-CB 4.33Å
260D39.2Very low43.2Very low70 Ų7088.8 Ų88.837%0.37444%0.441SS..Hα-helixtrans-65.5-41.3178.8-62.2-38.8000111.7T256 C262 F263 E264T256-D260 VanDerWaalsContact C-OD2 3.27Å; T256-D260 PolarHBondContact O-N 2.92Å; T256-D260 VanDerWaalsContact O-OD2 3.11Å; D260-C262 VanDerWaalsContact C-N 3.31Å; D260-C262 PolarHBondContact O-N 2.67Å; D260-F263 PolarHBondContact O-N 3.02Å; D260-E264 PolarHBondContact O-N 3Å
261N47.2Very low43.7Very low117 Ų11791.2 Ų91.263%0.62644%0.439SS*.Hα-helixtrans-63.7-36171.9-89.4-62000112.3T257 K265T257-N261 WeakPolarHBondContact O-CB 3.26Å; T257-N261 PolarHBondContact O-ND2 3.25Å; N261-K265 WeakPolarHBondContact O-CB 3.41Å; N261-K265 PolarHBondContact O-N 2.9Å
262C46Very low44Very low35 Ų3588.1 Ų88.124%0.23643%0.428CS..Hα-helixtrans-69.6-41.3174.7-163.50000111.4K258 L259 D260 W266K258-C262 WeakPolarHBondContact O-CB 3.5Å; K258-C262 PolarHBondContact O-N 3.13Å; L259-C262 CarbonylContact O-C 3.57Å; L259-C262 WeakPolarHBondContact O-CA 3.3Å; L259-C262 WeakPolarHBondContact O-CB 3.5Å; L259-C262 PolarHBondContact O-N 2.75Å; L259-C262 VanDerWaalsContact O-N 3.13Å; D260-C262 VanDerWaalsContact C-N 3.31Å; D260-C262 PolarHBondContact O-N 2.67Å; C262-W266 VanDerWaalsContact O-CB 3.3Å; C262-W266 WeakPolarHBondContact O-CB 3.12Å; C262-W266 PolarHBondContact O-N 3.48Å
263F45.1Very low43.7Very low47 Ų4790.7 Ų90.721%0.20645%0.449CS..Hα-helixtrans-65.5-46177.2179.2-99000112.1L259 D260 W266 R267 Y298L259-F263 WeakPolarHBondContact O-CB 3.44Å; L259-F263 PolarHBondContact O-N 3.24Å; D260-F263 PolarHBondContact O-N 3.02Å; F263-W266 AromaticContact CD2-CE3 3.97Å; F263-W266 HydrophobicContact CD2-CE3 3.97Å; F263-W266 HydrophobicContact CD2-CZ3 4.29Å; F263-W266 AromaticContact CE2-CE3 3.85Å; F263-W266 HydrophobicContact CE2-CE3 3.85Å; F263-W266 AromaticContact CE2-CZ3 3.71Å; F263-W266 HydrophobicContact CE2-CZ3 3.71Å; F263-W266 HydrophobicContact CZ-CZ3 4.38Å; F263-W266 PolarHBondContact O-N 2.9Å; F263-R267 VanDerWaalsContact O-CB 3.26Å; F263-R267 WeakPolarHBondContact O-CB 3.31Å; F263-R267 PolarHBondContact O-N 3.15Å; F263-Y298 HydrophobicContact CE2-CD1 4.08Å; F263-Y298 AromaticContact CE2-CE1 3.6Å; F263-Y298 HydrophobicContact CE2-CE1 3.6Å; F263-Y298 AromaticContact CZ-CE1 3.91Å; F263-Y298 HydrophobicContact CZ-CE1 3.91Å
264E50.6Low43.8Very low51 Ų5192.2 Ų92.224%0.23846%0.456CS..Hα-helixtrans-70.6-34.7176.9-88.8-68137.600112.6D260 W266 R267 R268D260-E264 PolarHBondContact O-N 3Å; E264-W266 VanDerWaalsContact C-N 3.34Å; E264-R267 WeakPolarHBondContact OE1-CD 3.27Å; E264-R267 IonicContact OE1-CZ 2.64Å; E264-R267 IonicContact OE1-NE 3.28Å; E264-R267 IonicContact OE1-NH1 2.74Å; E264-R267 PolarHBondContact OE1-NH1 3.25Å; E264-R268 VanDerWaalsContact O-CB 3.31Å; E264-R268 WeakPolarHBondContact O-CB 3.25Å; E264-R268 WeakPolarHBondContact O-CD 3.29Å; E264-R268 WeakPolarHBondContact O-CG 3.41Å; E264-R268 PolarHBondContact O-N 3.38Å; E264-R268 IonicContact OE2-CZ 2.81Å; E264-R268 VanDerWaalsContact OE2-CZ 3.24Å; E264-R268 IonicContact OE2-NE 3.17Å; E264-R268 PolarHBondContact OE2-NE 2.91Å; E264-R268 IonicContact OE2-NH2 3.86Å; E264-R268 PolarHBondContact OE2-NH2 2.99Å
265K53.2Low43.9Very low170 Ų170100.9 Ų100.974%0.73947%0.471SS*.Hα-helixtrans-59.1-46.4167.3-102.2-174.5170.3-178.40111.5N261 S269N261-K265 WeakPolarHBondContact O-CB 3.41Å; N261-K265 PolarHBondContact O-N 2.9Å; K265-S269 WeakPolarHBondContact O-CB 3.26Å; K265-S269 PolarHBondContact O-N 3.23Å; K265-S269 VanDerWaalsContact O-N 3.15Å; K265-S269 PolarHBondContact O-OG 3.41Å
266W52.3Low43.9Very low33 Ų3399 Ų9913%0.12547%0.472CS..Hα-helixtrans-62.2-54178.7171.673.6000111C262 F263 E264 R268 S269 I270 G302 L303 W306C262-W266 VanDerWaalsContact O-CB 3.3Å; C262-W266 WeakPolarHBondContact O-CB 3.12Å; C262-W266 PolarHBondContact O-N 3.48Å; F263-W266 AromaticContact CD2-CE3 3.97Å; F263-W266 HydrophobicContact CD2-CE3 3.97Å; F263-W266 HydrophobicContact CD2-CZ3 4.29Å; F263-W266 AromaticContact CE2-CE3 3.85Å; F263-W266 HydrophobicContact CE2-CE3 3.85Å; F263-W266 AromaticContact CE2-CZ3 3.71Å; F263-W266 HydrophobicContact CE2-CZ3 3.71Å; F263-W266 HydrophobicContact CZ-CZ3 4.38Å; F263-W266 PolarHBondContact O-N 2.9Å; E264-W266 VanDerWaalsContact C-N 3.34Å; W266-R268 VanDerWaalsContact C-N 3.27Å; W266-R268 PolarHBondContact O-N 2.9Å; W266-S269 WeakPolarHBondContact O-CA 3.44Å; W266-S269 WeakPolarHBondContact O-CB 3.4Å; W266-S269 PolarHBondContact O-N 3.31Å; W266-S269 PolarHBondContact O-OG 2.92Å; W266-I270 HydrophobicContact CD2-CD1 4.25Å; W266-I270 HydrophobicContact CE3-CD1 4.22Å; W266-I270 HydrophobicContact CH2-CD1 3.62Å; W266-I270 HydrophobicContact CZ2-CD1 3.63Å; W266-I270 HydrophobicContact CZ2-CG1 4.47Å; W266-I270 HydrophobicContact CZ3-CD1 3.92Å; W266-I270 WeakPolarHBondContact O-CG1 3.25Å; W266-G302 VanDerWaalsContact CH2-CA 3.49Å; W266-G302 WeakPolarHBondContact CZ2-O 3.44Å; W266-G302 PolarHBondContact NE1-O 3.2Å; W266-L303 HydrophobicContact CB-CD2 4.23Å; W266-L303 HydrophobicContact CG-CD2 3.99Å; W266-L303 HydrophobicContact CG-CG 4.38Å; W266-W306 AromaticContact NE1-CG 3.94Å
267R48.8Very low44.4Very low144 Ų14498.8 Ų98.854%0.54347%0.468SS..Hα-helixtrans-54-40.8179.5-172-168.8-179.3-170.4-1112.3F263 E264 S269 I270F263-R267 VanDerWaalsContact O-CB 3.26Å; F263-R267 WeakPolarHBondContact O-CB 3.31Å; F263-R267 PolarHBondContact O-N 3.15Å; E264-R267 WeakPolarHBondContact OE1-CD 3.27Å; E264-R267 IonicContact OE1-CZ 2.64Å; E264-R267 IonicContact OE1-NE 3.28Å; E264-R267 IonicContact OE1-NH1 2.74Å; E264-R267 PolarHBondContact OE1-NH1 3.25Å; R267-S269 VanDerWaalsContact C-N 3.34Å; R267-I270 WeakPolarHBondContact O-CB 3.36Å; R267-I270 WeakPolarHBondContact O-CG1 3.36Å
268R49.6Very low44.9Very low193 Ų19397.7 Ų97.773%0.72846%0.458SS*.Hα-helixtrans-75.6-18.1177.1-67.2170.9-164.2-159.90.5114.1E264 W266 I270E264-R268 VanDerWaalsContact O-CB 3.31Å; E264-R268 WeakPolarHBondContact O-CB 3.25Å; E264-R268 WeakPolarHBondContact O-CD 3.29Å; E264-R268 WeakPolarHBondContact O-CG 3.41Å; E264-R268 PolarHBondContact O-N 3.38Å; E264-R268 IonicContact OE2-CZ 2.81Å; E264-R268 VanDerWaalsContact OE2-CZ 3.24Å; E264-R268 IonicContact OE2-NE 3.17Å; E264-R268 PolarHBondContact OE2-NE 2.91Å; E264-R268 IonicContact OE2-NH2 3.86Å; E264-R268 PolarHBondContact OE2-NH2 2.99Å; W266-R268 VanDerWaalsContact C-N 3.27Å; W266-R268 PolarHBondContact O-N 2.9Å; R268-I270 VanDerWaalsContact C-N 3.29Å
269S43.6Very low45.4Very low51 Ų5195.2 Ų95.236%0.35745%0.451SS..THydrogen-bonded Turntrans-86.23.4175.972.50000114.2K265 W266 R267 E271K265-S269 WeakPolarHBondContact O-CB 3.26Å; K265-S269 PolarHBondContact O-N 3.23Å; K265-S269 VanDerWaalsContact O-N 3.15Å; K265-S269 PolarHBondContact O-OG 3.41Å; W266-S269 WeakPolarHBondContact O-CA 3.44Å; W266-S269 WeakPolarHBondContact O-CB 3.4Å; W266-S269 PolarHBondContact O-N 3.31Å; W266-S269 PolarHBondContact O-OG 2.92Å; R267-S269 VanDerWaalsContact C-N 3.34Å; S269-E271 PolarHBondContact O-N 3.44Å; S269-E271 VanDerWaalsContact O-N 3.08Å
270I44.6Very low46Very low50 Ų5094.3 Ų94.326%0.25645%0.448SS..  trans-82.977.4-179.5-54.4-175.3000110.1W266 R267 R268 Y277W266-I270 HydrophobicContact CD2-CD1 4.25Å; W266-I270 HydrophobicContact CE3-CD1 4.22Å; W266-I270 HydrophobicContact CH2-CD1 3.62Å; W266-I270 HydrophobicContact CZ2-CD1 3.63Å; W266-I270 HydrophobicContact CZ2-CG1 4.47Å; W266-I270 HydrophobicContact CZ3-CD1 3.92Å; W266-I270 WeakPolarHBondContact O-CG1 3.25Å; R267-I270 WeakPolarHBondContact O-CB 3.36Å; R267-I270 WeakPolarHBondContact O-CG1 3.36Å; R268-I270 VanDerWaalsContact C-N 3.29Å; I270-Y277 HydrophobicContact CG2-CE1 3.75Å; I270-Y277 HydrophobicContact CG2-CE2 4.05Å; I270-Y277 WeakPolarHBondContact CG2-OH 3.24Å
271E44.2Very low47.2Very low188 Ų18896.7 Ų96.788%0.87946%0.457SS*.  trans-81.9-13.5173.9-67-176.3161.700113.6S269S269-E271 PolarHBondContact O-N 3.44Å; S269-E271 VanDerWaalsContact O-N 3.08Å
272L38.7Very low48.2Very low71 Ų7194.4 Ų94.437%0.37245%0.45SS..SBendtrans-83.9139.5-176.5-81.7166.5000111.5Y277 M309L272-Y277 WeakPolarHBondContact CB-OH 3.32Å; L272-Y277 VanDerWaalsContact O-CE2 3.27Å; L272-Y277 WeakPolarHBondContact O-CE2 3.21Å; L272-Y277 PolarHBondContact O-OH 3.42Å; L272-M309 HydrophobicContact CB-CE 4.5Å; L272-M309 HydrophobicContact CD1-CE 4.2Å
273P37.8Very low49.4Very low106 Ų10696.5 Ų96.569%0.68845%0.454SS*.  trans-65.9143.8-17025.2-34.8000113.8R275 Y277P273-R275 PolarHBondContact O-N 2.95Å; P273-Y277 WeakPolarHBondContact O-CE2 3.24Å
274L41.8Very low50.9Low113 Ų11394.8 Ų94.859%0.59245%0.446SS*.G310 helixtrans-54.6-12-167.1-80.4161.5000117.6N276 Y277 I279L274-N276 VanDerWaalsContact C-N 3.33Å; L274-N276 PolarHBondContact O-N 3.39Å; L274-Y277 HydrophobicContact CD2-CD2 4.33Å; L274-I279 HydrophobicContact CD2-CD1 4.09Å
275R36.2Very low52.4Low240 Ų24097.8 Ų97.891%0.90646%0.46SS*.G310 helixtrans-67.7-19.5-168.4-92.6-174.2171.3-174.8-2.2116.6P273P273-R275 PolarHBondContact O-N 2.95Å
276N39.7Very low53.6Low111 Ų11190.8 Ų90.859%0.59443%0.431SS*.G310 helixtrans-111.3-4.4-174.5-74.3-8.3000114.8L274 F278 M309 R357L274-N276 VanDerWaalsContact C-N 3.33Å; L274-N276 PolarHBondContact O-N 3.39Å; N276-F278 PolarHBondContact O-N 2.99Å; N276-M309 HydrophobicContact CB-SD 3.66Å; N276-R357 PolarHBondContact O-NH1 3.16Å
277Y49.9Very low54.9Low25 Ų2593.1 Ų93.110%0.09847%0.465CS..  trans-72130-178.7-60.8-85.6000111.4I270 L272 P273 L274 I279 M309I270-Y277 HydrophobicContact CG2-CE1 3.75Å; I270-Y277 HydrophobicContact CG2-CE2 4.05Å; I270-Y277 WeakPolarHBondContact CG2-OH 3.24Å; L272-Y277 WeakPolarHBondContact CB-OH 3.32Å; L272-Y277 VanDerWaalsContact O-CE2 3.27Å; L272-Y277 WeakPolarHBondContact O-CE2 3.21Å; L272-Y277 PolarHBondContact O-OH 3.42Å; P273-Y277 WeakPolarHBondContact O-CE2 3.24Å; L274-Y277 HydrophobicContact CD2-CD2 4.33Å; Y277-I279 VanDerWaalsContact C-N 3.29Å; Y277-I279 PolarHBondContact O-N 2.91Å; Y277-I279 VanDerWaalsContact O-N 3.08Å; Y277-M309 HydrophobicContact CD1-CE 4.08Å; Y277-M309 HydrophobicContact CE1-CE 3.38Å; Y277-M309 HydrophobicContact CE1-SD 4.42Å; Y277-M309 HydrophobicContact CE2-CE 4.44Å
278F50Low56.2Low42 Ų4294.5 Ų94.518%0.18448%0.478CS..  trans-69.595.1149.5174.8-96.4000107.7N276 A280 E361 Y364N276-F278 PolarHBondContact O-N 2.99Å; F278-A280 HydrophobicContact CE1-CB 3.65Å; F278-A280 HydrophobicContact CZ-CB 4.02Å; F278-A280 PolarHBondContact O-N 3.46Å; F278-E361 HydrophobicContact CD2-CG 3.73Å; F278-E361 HydrophobicContact CE2-CG 3.6Å; F278-E361 HydrophobicContact CZ-CG 4.4Å; F278-Y364 AromaticContact CE1-CD2 3.87Å; F278-Y364 HydrophobicContact CE1-CD2 3.87Å; F278-Y364 AromaticContact CE1-CE2 3.32Å; F278-Y364 HydrophobicContact CE1-CE2 3.32Å; F278-Y364 AromaticContact CZ-CD2 3.42Å; F278-Y364 HydrophobicContact CZ-CD2 3.42Å; F278-Y364 VanDerWaalsContact CZ-CD2 3.42Å; F278-Y364 AromaticContact CZ-CE2 3.4Å; F278-Y364 HydrophobicContact CZ-CE2 3.4Å; F278-Y364 HydrophobicContact CZ-CG 4.36Å
279I52.9Low57.5Low114 Ų11487.2 Ų87.259%0.58545%0.452SS*.  trans-85.298.5169.9-54.5179000106.6L274 Y277L274-I279 HydrophobicContact CD2-CD1 4.09Å; Y277-I279 VanDerWaalsContact C-N 3.29Å; Y277-I279 PolarHBondContact O-N 2.91Å; Y277-I279 VanDerWaalsContact O-N 3.08Å
280A55.5Low59Low10 Ų1087 Ų878%0.08345%0.447CS..  trans-61.3139.1161.800000108.8F278 Y298 Y364F278-A280 HydrophobicContact CE1-CB 3.65Å; F278-A280 HydrophobicContact CZ-CB 4.02Å; F278-A280 PolarHBondContact O-N 3.46Å; A280-Y298 HydrophobicContact CB-CD2 3.94Å; A280-Y298 HydrophobicContact CB-CE2 3.59Å; A280-Y298 WeakPolarHBondContact O-CE2 3.29Å; A280-Y298 PolarHBondContact O-OH 2.92Å; A280-Y364 HydrophobicContact CB-CE1 3.77Å; A280-Y364 HydrophobicContact CB-CE2 4.02Å; A280-Y364 VanDerWaalsContact CB-CZ 3.44Å; A280-Y364 WeakPolarHBondContact CB-OH 3.43Å
281Q63.8Low60.8Low120 Ų12084.7 Ų84.756%0.56144%0.435SS*.  trans-68.6136.1162.4-68.9171.2-36.800107.9Y283 Q293Q281-Y283 VanDerWaalsContact CB-O 3.29Å; Q281-Y283 WeakPolarHBondContact CB-O 3.5Å; Q281-Y283 PolarHBondContact O-N 3.14Å; Q281-Y283 VanDerWaalsContact O-N 3.11Å; Q281-Q293 VanDerWaalsContact O-CG 3.25Å; Q281-Q293 WeakPolarHBondContact O-CG 3.17Å; Q281-Q293 PolarHBondContact O-NE2 3.3Å
282S67.9Low62.4Low69 Ų6976.3 Ų76.348%0.48340%0.397SS..SBendtrans-66.7-6.2177.150.50000113.4Q293S282-Q293 WeakPolarHBondContact O-CG 3.31Å; S282-Q293 PolarHBondContact O-N 3.27Å
283Y71.9Confident64.5Low79 Ų7973.5 Ų73.531%0.3138%0.382SS..EExtended strand (participates in β ladder)trans-141.5169.4177.465-78.4000110.8Q281 E285 N290 F291Q281-Y283 VanDerWaalsContact CB-O 3.29Å; Q281-Y283 WeakPolarHBondContact CB-O 3.5Å; Q281-Y283 PolarHBondContact O-N 3.14Å; Q281-Y283 VanDerWaalsContact O-N 3.11Å; Y283-E285 HydrophobicContact CD2-CG 4.09Å; Y283-E285 HydrophobicContact CE2-CG 3.62Å; Y283-E285 VanDerWaalsContact CE2-OE1 3.24Å; Y283-E285 WeakPolarHBondContact CE2-OE1 3.31Å; Y283-E285 PolarHBondContact OH-OE1 3.42Å; Y283-N290 HydrophobicContact CD2-CB 4.3Å; Y283-N290 WeakPolarHBondContact CD2-OD1 3.49Å; Y283-N290 VanDerWaalsContact CE2-OD1 3.24Å; Y283-N290 WeakPolarHBondContact CE2-OD1 3.35Å; Y283-F291 CarbonylContact C-O 3.31Å; Y283-F291 WeakPolarHBondContact CA-O 3.22Å; Y283-F291 WeakPolarHBondContact CB-O 3.43Å
284I76.7Confident66.7Low11 Ų1168.6 Ų68.66%0.05635%0.35CS..EExtended strand (participates in β ladder)trans-125.1122.3177.5-57.5176.5000108.3I286 N290 F291 R367 T368 L371I284-I286 HydrophobicContact CG2-CD1 4.1Å; I284-I286 HydrophobicContact CG2-CG1 3.95Å; I284-N290 CarbonylContact O-C 3.55Å; I284-N290 WeakPolarHBondContact O-CA 3.35Å; I284-F291 PolarHBondContact N-O 3.39Å; I284-F291 PolarHBondContact O-N 3.05Å; I284-R367 HydrophobicContact CD1-CG 4.36Å; I284-T368 HydrophobicContact CG2-CG2 4.02Å; I284-L371 HydrophobicContact CB-CD1 4.27Å; I284-L371 HydrophobicContact CD1-CD1 3.61Å; I284-L371 HydrophobicContact CG1-CD1 4.44Å; I284-L371 HydrophobicContact CG2-CD1 4.44Å
285E80.7Confident68.5Low113 Ų11365.4 Ų65.453%0.52834%0.336SS..EExtended strand (participates in β ladder)trans-85.5126.6173.6-71.7172.2-161.500111.3Y283 N290Y283-E285 HydrophobicContact CD2-CG 4.09Å; Y283-E285 HydrophobicContact CE2-CG 3.62Å; Y283-E285 VanDerWaalsContact CE2-OE1 3.24Å; Y283-E285 WeakPolarHBondContact CE2-OE1 3.31Å; Y283-E285 PolarHBondContact OH-OE1 3.42Å; E285-N290 WeakPolarHBondContact CG-OD1 3.25Å
286I79.2Confident70.6Confident23 Ų2354.2 Ų54.212%0.11830%0.295CS..EExtended strand (participates in β ladder)trans-138.191.9176.4-56.4172.7000109.1I284 E288 H289 F291 L371 K372I284-I286 HydrophobicContact CG2-CD1 4.1Å; I284-I286 HydrophobicContact CG2-CG1 3.95Å; I286-E288 PolarHBondContact O-N 3.23Å; I286-H289 PolarHBondContact N-O 2.93Å; I286-H289 PolarHBondContact O-N 3.36Å; I286-F291 HydrophobicContact CB-CD2 4.47Å; I286-F291 HydrophobicContact CB-CE2 4.11Å; I286-F291 HydrophobicContact CD1-CD2 3.93Å; I286-F291 HydrophobicContact CD1-CE2 4Å; I286-F291 HydrophobicContact CG1-CD2 4.33Å; I286-F291 HydrophobicContact CG1-CE2 4.38Å; I286-L371 HydrophobicContact CD1-CB 3.35Å; I286-L371 HydrophobicContact CD1-CD1 4.33Å; I286-L371 HydrophobicContact CD1-CG 4.49Å; I286-K372 HydrophobicContact CD1-CG 3.92Å; I286-K372 HydrophobicContact CG1-CG 4.2Å; I286-K372 HydrophobicContact CG2-CG 3.77Å
287G80.3Confident72.9Confident83 Ų8348.9 Ų48.986%0.85627%0.266SS*.THydrogen-bonded Turntrans69.8-125.5-175.400000110H289G287-H289 VanDerWaalsContact C-N 3.27Å
288E75.7Confident74.4Confident173 Ų17350.1 Ų50.181%0.80827%0.271SS*.THydrogen-bonded Turntrans-80.9-6.2174.1-63.8179.3172.300113.2I286I286-E288 PolarHBondContact O-N 3.23Å
289H75.6Confident75.9Confident40 Ų4048.2 Ų48.219%0.18526%0.263CS..EExtended strand (participates in β ladder)trans-104.7128.3-170.9-66.7-28.2000113.9P102 E104 K105 I286 G287 F291P102-H289 HydrophobicContact CB-CB 4.03Å; P102-H289 HydrophobicContact CG-CB 4.36Å; E104-H289 WeakPolarHBondContact OE2-CA 3.42Å; E104-H289 IonicContact OE2-CE1 3.55Å; E104-H289 IonicContact OE2-CG 2.64Å; E104-H289 IonicContact OE2-ND1 3.25Å; E104-H289 PolarHBondContact OE2-ND1 3.38Å; K105-H289 PolarHBondContact NZ-CE1 3.35Å; K105-H289 VanDerWaalsContact NZ-CE1 3.27Å; K105-H289 PolarHBondContact NZ-NE2 3.38Å; I286-H289 PolarHBondContact N-O 2.93Å; I286-H289 PolarHBondContact O-N 3.36Å; G287-H289 VanDerWaalsContact C-N 3.27Å; H289-F291 HydrophobicContact CB-CD2 4.45Å; H289-F291 HydrophobicContact CB-CE2 3.58Å; H289-F291 HydrophobicContact CB-CZ 3.91Å
290N76.1Confident77.5Confident45 Ų4542.8 Ų42.824%0.24124%0.235CC..EExtended strand (participates in β ladder)trans-92.9143.5166.5-63.4-85.4000110.1P102 F103 E104 Y283 I284 E285P102-N290 WeakPolarHBondContact CA-O 3.38Å; F103-N290 HydrophobicContact CB-CB 4.28Å; F103-N290 HydrophobicContact CD2-CB 3.43Å; F103-N290 VanDerWaalsContact CD2-CB 3.43Å; F103-N290 WeakPolarHBondContact CD2-O 3.18Å; F103-N290 HydrophobicContact CE2-CB 4.05Å; F103-N290 HydrophobicContact CG-CB 4.23Å; F103-N290 PolarHBondContact N-O 3.34Å; E104-N290 WeakPolarHBondContact OE1-CB 3.32Å; E104-N290 PolarHBondContact OE1-N 3.27Å; E104-N290 PolarHBondContact OE1-ND2 2.98Å; Y283-N290 HydrophobicContact CD2-CB 4.3Å; Y283-N290 WeakPolarHBondContact CD2-OD1 3.49Å; Y283-N290 VanDerWaalsContact CE2-OD1 3.24Å; Y283-N290 WeakPolarHBondContact CE2-OD1 3.35Å; I284-N290 CarbonylContact O-C 3.55Å; I284-N290 WeakPolarHBondContact O-CA 3.35Å; E285-N290 WeakPolarHBondContact CG-OD1 3.25Å
291F81.6Confident79Confident2 Ų242.5 Ų42.51%0.00923%0.232CC..EExtended strand (participates in β ladder)trans-130.3139.4173.2-63.3-88.6000110.3M100 P102 Y283 I284 I286 H289 L371 Y374 C375M100-F291 VanDerWaalsContact O-CE1 3.27Å; M100-F291 WeakPolarHBondContact O-CE1 3.47Å; P102-F291 HydrophobicContact CG-CE1 3.83Å; P102-F291 HydrophobicContact CG-CZ 3.89Å; Y283-F291 CarbonylContact C-O 3.31Å; Y283-F291 WeakPolarHBondContact CA-O 3.22Å; Y283-F291 WeakPolarHBondContact CB-O 3.43Å; I284-F291 PolarHBondContact N-O 3.39Å; I284-F291 PolarHBondContact O-N 3.05Å; I286-F291 HydrophobicContact CB-CD2 4.47Å; I286-F291 HydrophobicContact CB-CE2 4.11Å; I286-F291 HydrophobicContact CD1-CD2 3.93Å; I286-F291 HydrophobicContact CD1-CE2 4Å; I286-F291 HydrophobicContact CG1-CD2 4.33Å; I286-F291 HydrophobicContact CG1-CE2 4.38Å; H289-F291 HydrophobicContact CB-CD2 4.45Å; H289-F291 HydrophobicContact CB-CE2 3.58Å; H289-F291 HydrophobicContact CB-CZ 3.91Å; F291-L371 HydrophobicContact CB-CD1 3.84Å; F291-L371 HydrophobicContact CB-CD2 4.4Å; F291-L371 HydrophobicContact CD1-CD2 3.98Å; F291-L371 HydrophobicContact CD2-CD1 4.47Å; F291-L371 HydrophobicContact CE1-CD2 4.5Å; F291-L371 HydrophobicContact CG-CD1 4.12Å; F291-L371 HydrophobicContact CG-CD2 4.14Å; F291-Y374 HydrophobicContact CE1-CD1 4.48Å; F291-C375 WeakPolarHBondContact CZ-SG 3.42Å
292S79Confident79.8Confident13 Ų1337.2 Ų37.29%0.09121%0.21CC..EExtended strand (participates in β ladder)trans-76.1149-179.8400000111.7Y99 R367Y99-S292 WeakPolarHBondContact CA-OG 3.41Å; Y99-S292 WeakPolarHBondContact CD1-OG 3.48Å; S292-R367 PolarHBondContact O-NH1 2.74Å; S292-R367 PolarHBondContact O-NH2 2.87Å
293Q81.3Confident80.6Confident12 Ų1234.3 Ų34.36%0.05619%0.189CC..PPolyproline II helixtrans-75.7151.9162.9-56.8-64.22.200109.9Q281 S282 P295 Y298 Y364 R367Q281-Q293 VanDerWaalsContact O-CG 3.25Å; Q281-Q293 WeakPolarHBondContact O-CG 3.17Å; Q281-Q293 PolarHBondContact O-NE2 3.3Å; S282-Q293 WeakPolarHBondContact O-CG 3.31Å; S282-Q293 PolarHBondContact O-N 3.27Å; Q293-P295 WeakPolarHBondContact O-CD 3.22Å; Q293-Y298 HydrophobicContact CB-CD2 4.43Å; Q293-Y298 HydrophobicContact CG-CD2 4.37Å; Q293-Y364 HydrophobicContact CG-CE1 4.33Å; Q293-R367 VanDerWaalsContact OE1-NH1 3.17Å
294N84.4Confident81.5Confident2 Ų230.5 Ų30.51%0.01117%0.174CC..PPolyproline II helixtrans-60.2119.3164.6179.5-52.7000109.2F91 Y99 S296 V297 Y298 D391F91-N294 WeakPolarHBondContact CD1-ND2 3.48Å; F91-N294 WeakPolarHBondContact CD2-ND2 3.35Å; F91-N294 WeakPolarHBondContact CE1-ND2 3.37Å; F91-N294 WeakPolarHBondContact CE2-ND2 3.36Å; F91-N294 WeakPolarHBondContact CG-ND2 3.48Å; Y99-N294 HydrophobicContact CD2-CB 4.35Å; Y99-N294 HydrophobicContact CE2-CB 4.37Å; N294-S296 VanDerWaalsContact C-N 3.27Å; N294-S296 PolarHBondContact O-N 2.97Å; N294-S296 WeakPolarHBondContact OD1-CB 3.3Å; N294-S296 PolarHBondContact OD1-N 3.45Å; N294-V297 HydrophobicContact CB-CB 4.23Å; N294-V297 HydrophobicContact CB-CG2 4.07Å; N294-V297 PolarHBondContact O-N 3.01Å; N294-V297 PolarHBondContact OD1-N 3.34Å; N294-V297 VanDerWaalsContact OD1-N 3.13Å; N294-Y298 VanDerWaalsContact O-CB 3.3Å; N294-Y298 WeakPolarHBondContact O-CB 3.37Å; N294-Y298 PolarHBondContact O-N 3.46Å; N294-D391 HydrophobicContact CB-CB 4.22Å; N294-D391 WeakPolarHBondContact CB-OD2 3.46Å
295P79.7Confident82Confident47 Ų4730.2 Ų30.231%0.30517%0.173SC..Hα-helixtrans-67.6-28.5-171.726.1-34000112.4Y99 Q293 C299Y99-P295 VanDerWaalsContact OH-CD 3.27Å; Y99-P295 WeakPolarHBondContact OH-CD 3.47Å; Y99-P295 WeakPolarHBondContact OH-CG 3.22Å; Q293-P295 WeakPolarHBondContact O-CD 3.22Å; P295-C299 VanDerWaalsContact O-CB 3.27Å; P295-C299 WeakPolarHBondContact O-CB 3.38Å; P295-C299 PolarHBondContact O-N 2.88Å
296S81.5Confident82.1Confident4 Ų426.5 Ų26.53%0.02815%0.154CC..Hα-helixtrans-72.4-44.7179.1-55.60000111.4P90 L259 N294 L300P90-S296 VanDerWaalsContact CG-OG 3.27Å; P90-S296 WeakPolarHBondContact CG-OG 3.39Å; L259-S296 WeakPolarHBondContact CD1-OG 3.34Å; N294-S296 VanDerWaalsContact C-N 3.27Å; N294-S296 PolarHBondContact O-N 2.97Å; N294-S296 WeakPolarHBondContact OD1-CB 3.3Å; N294-S296 PolarHBondContact OD1-N 3.45Å; S296-L300 WeakPolarHBondContact O-CB 3.33Å; S296-L300 PolarHBondContact O-N 3.22Å
297V86.8Confident82.6Confident0 Ų025.4 Ų25.40%015%0.148CC..Hα-helixtrans-65.1-43.1173.7-177.80000110.3F91 N294 C299 L300 H301 Y363 D391 Q394F91-V297 HydrophobicContact CE1-CG2 4.36Å; F91-V297 HydrophobicContact CZ-CG2 4.37Å; N294-V297 HydrophobicContact CB-CB 4.23Å; N294-V297 HydrophobicContact CB-CG2 4.07Å; N294-V297 PolarHBondContact O-N 3.01Å; N294-V297 PolarHBondContact OD1-N 3.34Å; N294-V297 VanDerWaalsContact OD1-N 3.13Å; V297-C299 PolarHBondContact O-N 3.45Å; V297-L300 PolarHBondContact O-N 3.26Å; V297-H301 PolarHBondContact O-CD2 3.14Å; V297-H301 PolarHBondContact O-N 3.34Å; V297-Y363 HydrophobicContact CG1-CE1 3.85Å; V297-Y363 HydrophobicContact CG1-CE2 4.09Å; V297-D391 HydrophobicContact CG2-CB 4.16Å; V297-D391 WeakPolarHBondContact CG2-O 3.45Å; V297-Q394 HydrophobicContact CG1-CB 4.15Å; V297-Q394 HydrophobicContact CG1-CG 3.68Å
298Y82.4Confident83Confident51 Ų5121.9 Ų21.920%0.211%0.11CC..Hα-helixtrans-59.5-46.6177.3-176.7-101.4000112.6F263 A280 Q293 N294 H301 G302F263-Y298 HydrophobicContact CE2-CD1 4.08Å; F263-Y298 AromaticContact CE2-CE1 3.6Å; F263-Y298 HydrophobicContact CE2-CE1 3.6Å; F263-Y298 AromaticContact CZ-CE1 3.91Å; F263-Y298 HydrophobicContact CZ-CE1 3.91Å; A280-Y298 HydrophobicContact CB-CD2 3.94Å; A280-Y298 HydrophobicContact CB-CE2 3.59Å; A280-Y298 WeakPolarHBondContact O-CE2 3.29Å; A280-Y298 PolarHBondContact O-OH 2.92Å; Q293-Y298 HydrophobicContact CB-CD2 4.43Å; Q293-Y298 HydrophobicContact CG-CD2 4.37Å; N294-Y298 VanDerWaalsContact O-CB 3.3Å; N294-Y298 WeakPolarHBondContact O-CB 3.37Å; N294-Y298 PolarHBondContact O-N 3.46Å; Y298-H301 WeakPolarHBondContact O-CB 3.16Å; Y298-H301 PolarHBondContact O-N 2.92Å; Y298-G302 PolarHBondContact O-N 2.93Å; Y298-G302 VanDerWaalsContact O-N 3.16Å
299C81Confident83.5Confident2 Ų215.2 Ų15.21%0.0148%0.079CC..Hα-helixtrans-61.5-46.6175.6-172.60000111.8L259 P295 V297 H301 G302 L303L259-C299 HydrophobicContact CD2-CB 4.33Å; P295-C299 VanDerWaalsContact O-CB 3.27Å; P295-C299 WeakPolarHBondContact O-CB 3.38Å; P295-C299 PolarHBondContact O-N 2.88Å; V297-C299 PolarHBondContact O-N 3.45Å; C299-H301 VanDerWaalsContact C-N 3.29Å; C299-H301 PolarHBondContact O-N 3.41Å; C299-G302 PolarHBondContact O-N 3.11Å; C299-G302 VanDerWaalsContact O-N 3.15Å; C299-L303 PolarHBondContact O-N 3.06Å; C299-L303 VanDerWaalsContact O-N 3.1Å
300L86.2Confident84Confident0 Ų014.3 Ų14.30%08%0.075CC..Hα-helixtrans-60.7-35.9175.2-83.8178.8000113F85 S296 V297 L303 V304 Y395 C398 L402F85-L300 HydrophobicContact CB-CD2 4.47Å; F85-L300 HydrophobicContact CD1-CD1 4.06Å; F85-L300 HydrophobicContact CD1-CD2 3.55Å; F85-L300 HydrophobicContact CD1-CG 3.69Å; F85-L300 HydrophobicContact CD2-CD2 3.96Å; F85-L300 HydrophobicContact CE1-CD1 4.35Å; F85-L300 HydrophobicContact CE1-CD2 3.66Å; F85-L300 HydrophobicContact CE1-CG 3.57Å; F85-L300 HydrophobicContact CE2-CD2 4.09Å; F85-L300 HydrophobicContact CG-CD2 3.7Å; F85-L300 HydrophobicContact CG-CG 4.36Å; F85-L300 HydrophobicContact CZ-CD2 3.94Å; F85-L300 HydrophobicContact CZ-CG 4.18Å; S296-L300 WeakPolarHBondContact O-CB 3.33Å; S296-L300 PolarHBondContact O-N 3.22Å; V297-L300 PolarHBondContact O-N 3.26Å; L300-L303 PolarHBondContact O-N 2.71Å; L300-V304 WeakPolarHBondContact O-CB 3.28Å; L300-V304 VanDerWaalsContact O-CG2 3.25Å; L300-V304 WeakPolarHBondContact O-CG2 3.32Å; L300-V304 PolarHBondContact O-N 3.29Å; L300-Y395 HydrophobicContact CD1-CD2 3.34Å; L300-Y395 HydrophobicContact CD1-CE2 3.53Å; L300-Y395 HydrophobicContact CD1-CG 3.93Å; L300-Y395 HydrophobicContact CG-CE2 4.5Å; L300-C398 HydrophobicContact CB-CB 3.83Å; L300-C398 HydrophobicContact CD1-CB 3.99Å; L300-C398 HydrophobicContact CG-CB 4.37Å; L300-L402 HydrophobicContact CD2-CD1 4.19Å
301H87.8Confident84.8Confident4 Ų412.2 Ų12.22%0.0196%0.064CC..Hα-helixtrans-62.9-42.1174.4-86.8-129.2000112.1V297 Y298 C299 N305 M360 Y363 Y364 Q394 C398V297-H301 PolarHBondContact O-CD2 3.14Å; V297-H301 PolarHBondContact O-N 3.34Å; Y298-H301 WeakPolarHBondContact O-CB 3.16Å; Y298-H301 PolarHBondContact O-N 2.92Å; C299-H301 VanDerWaalsContact C-N 3.29Å; C299-H301 PolarHBondContact O-N 3.41Å; H301-N305 VanDerWaalsContact O-CB 3.28Å; H301-N305 WeakPolarHBondContact O-CB 3.35Å; H301-N305 PolarHBondContact O-N 3.47Å; H301-M360 HydrophobicContact CB-CE 3.77Å; H301-M360 VanDerWaalsContact O-CE 3.32Å; H301-M360 WeakPolarHBondContact O-CE 3.27Å; H301-Y363 AromaticContact CE1-CD1 3.56Å; H301-Y363 AromaticContact NE2-CD1 3.86Å; H301-Y364 AromaticContact CE1-CE2 3.35Å; H301-Y364 WeakPolarHBondContact CE1-CE2 3.37Å; H301-Y364 AromaticContact CE1-CZ 3.78Å; H301-Y364 AromaticContact ND1-CE2 3.22Å; H301-Y364 WeakPolarHBondContact ND1-CE2 3.46Å; H301-Y364 AromaticContact ND1-CZ 3.54Å; H301-Y364 PolarHBondContact ND1-OH 3.14Å; H301-Y364 VanDerWaalsContact ND1-OH 3.09Å; H301-Q394 PolarHBondContact CE1-NE2 3.08Å; H301-Q394 VanDerWaalsContact CE1-NE2 3.26Å; H301-Q394 VanDerWaalsContact NE2-CG 3.31Å; H301-Q394 WeakPolarHBondContact NE2-CG 3.25Å; H301-Q394 PolarHBondContact NE2-NE2 3.39Å; H301-C398 VanDerWaalsContact CD2-SG 3.59Å
302G80.9Confident85.1Confident9 Ų914.4 Ų14.49%0.0938%0.076CC..Hα-helixtrans-58.2-48.7173.600000112.1W266 Y298 C299 N305 W306W266-G302 VanDerWaalsContact CH2-CA 3.49Å; W266-G302 WeakPolarHBondContact CZ2-O 3.44Å; W266-G302 PolarHBondContact NE1-O 3.2Å; Y298-G302 PolarHBondContact O-N 2.93Å; Y298-G302 VanDerWaalsContact O-N 3.16Å; C299-G302 PolarHBondContact O-N 3.11Å; C299-G302 VanDerWaalsContact O-N 3.15Å; G302-N305 PolarHBondContact O-N 3.49Å; G302-W306 WeakPolarHBondContact O-CB 3.22Å; G302-W306 PolarHBondContact O-N 3.34Å
303L84.9Confident85.4Confident7 Ų717.8 Ų17.84%0.0379%0.09CC..Hα-helixtrans-63.7-45.4179.4-69.4161.2000112.7I81 F85 W266 C299 L300 W306 E307I81-L303 HydrophobicContact CD1-CD2 4.02Å; I81-L303 HydrophobicContact CG1-CD2 4.26Å; I81-L303 HydrophobicContact CG2-CD1 4.12Å; F85-L303 HydrophobicContact CD2-CD1 4.36Å; F85-L303 HydrophobicContact CE2-CD1 3.31Å; F85-L303 HydrophobicContact CZ-CD1 3.52Å; W266-L303 HydrophobicContact CB-CD2 4.23Å; W266-L303 HydrophobicContact CG-CD2 3.99Å; W266-L303 HydrophobicContact CG-CG 4.38Å; C299-L303 PolarHBondContact O-N 3.06Å; C299-L303 VanDerWaalsContact O-N 3.1Å; L300-L303 PolarHBondContact O-N 2.71Å; L303-W306 PolarHBondContact O-N 3.22Å; L303-E307 PolarHBondContact O-N 3.4Å
304V90.1Very high85.7Confident0 Ų017.6 Ų17.60%09%0.089CC..Hα-helixtrans-63-44.8176.1171.50000111.2L300 E307 L308 I356 M360 C398 R401 L402 M405L300-V304 WeakPolarHBondContact O-CB 3.28Å; L300-V304 VanDerWaalsContact O-CG2 3.25Å; L300-V304 WeakPolarHBondContact O-CG2 3.32Å; L300-V304 PolarHBondContact O-N 3.29Å; V304-E307 PolarHBondContact O-N 3.3Å; V304-L308 VanDerWaalsContact O-CB 3.25Å; V304-L308 WeakPolarHBondContact O-CB 3.5Å; V304-L308 PolarHBondContact O-N 2.91Å; V304-I356 HydrophobicContact CG1-CG2 3.68Å; V304-M360 HydrophobicContact CB-CE 4.38Å; V304-M360 HydrophobicContact CB-SD 4.19Å; V304-M360 HydrophobicContact CG1-CE 4.33Å; V304-M360 HydrophobicContact CG1-SD 3.54Å; V304-M360 VanDerWaalsContact CG1-SD 3.54Å; V304-C398 HydrophobicContact CG2-CB 3.83Å; V304-R401 HydrophobicContact CG1-CB 4.46Å; V304-L402 HydrophobicContact CG2-CD1 4.26Å; V304-L402 HydrophobicContact CG2-CD2 4.25Å; V304-L402 HydrophobicContact CG2-CG 3.89Å; V304-M405 HydrophobicContact CG1-CE 4.31Å
305N86.1Confident86.1Confident5 Ų517.5 Ų17.53%0.0279%0.089CC..Hα-helixtrans-65.8-39.2179.7-175.381.4000111.8H301 G302 L308 M309 M360H301-N305 VanDerWaalsContact O-CB 3.28Å; H301-N305 WeakPolarHBondContact O-CB 3.35Å; H301-N305 PolarHBondContact O-N 3.47Å; G302-N305 PolarHBondContact O-N 3.49Å; N305-L308 PolarHBondContact O-N 2.85Å; N305-M309 WeakPolarHBondContact O-CG 3.1Å; N305-M309 PolarHBondContact O-N 3.1Å; N305-M360 HydrophobicContact CB-CE 4.2Å
306W83.2Confident86.5Confident35 Ų3518.2 Ų18.213%0.1339%0.094CC..Hα-helixtrans-63.7-47.1175.2179.170.7000112.1I81 W266 G302 L303 L308 M309 I310I81-W306 HydrophobicContact CD1-CZ3 4.36Å; W266-W306 AromaticContact NE1-CG 3.94Å; G302-W306 WeakPolarHBondContact O-CB 3.22Å; G302-W306 PolarHBondContact O-N 3.34Å; L303-W306 PolarHBondContact O-N 3.22Å; W306-L308 VanDerWaalsContact C-N 3.35Å; W306-L308 PolarHBondContact O-N 3.38Å; W306-M309 PolarHBondContact O-N 3.39Å; W306-I310 HydrophobicContact CD2-CD1 4.03Å; W306-I310 HydrophobicContact CG-CD1 4.44Å; W306-I310 HydrophobicContact CZ2-CD1 3.83Å; W306-I310 PolarHBondContact O-N 2.93Å
307E89.5Confident86.7Confident0 Ų023.6 Ų23.60%011%0.114CC..Hα-helixtrans-63.9-40.5176.3-166.863.4-129.500111.6R74 V78 L303 V304 M309 I310 F311 L402 M405 Y409R74-E307 IonicContact CZ-OE1 3.86Å; R74-E307 IonicContact CZ-OE2 2.76Å; R74-E307 IonicContact NE-OE1 3.69Å; R74-E307 PolarHBondContact NE-OE1 2.83Å; R74-E307 VanDerWaalsContact NE-OE1 3.1Å; R74-E307 IonicContact NE-OE2 2.77Å; R74-E307 IonicContact NH2-OE1 2.72Å; R74-E307 PolarHBondContact NH2-OE1 3.02Å; R74-E307 IonicContact NH2-OE2 2.86Å; R74-E307 PolarHBondContact NH2-OE2 3.13Å; V78-E307 HydrophobicContact CG2-CG 3.64Å; V78-E307 WeakPolarHBondContact CG2-OE2 3.44Å; L303-E307 PolarHBondContact O-N 3.4Å; V304-E307 PolarHBondContact O-N 3.3Å; E307-M309 VanDerWaalsContact C-N 3.34Å; E307-M309 PolarHBondContact O-N 3.14Å; E307-I310 PolarHBondContact O-N 3.47Å; E307-F311 VanDerWaalsContact O-CB 3.24Å; E307-F311 WeakPolarHBondContact O-CB 3.29Å; E307-F311 PolarHBondContact O-N 2.65Å; E307-L402 HydrophobicContact CB-CD2 4.26Å; E307-M405 HydrophobicContact CB-CE 3.89Å; E307-M405 HydrophobicContact CB-SD 4.15Å; E307-M405 HydrophobicContact CG-CB 4.37Å; E307-M405 HydrophobicContact CG-CE 3.94Å; E307-M405 HydrophobicContact CG-SD 3.87Å; E307-Y409 VanDerWaalsContact OE1-CE2 3.23Å; E307-Y409 WeakPolarHBondContact OE1-CE2 3.31Å; E307-Y409 PolarHBondContact OE1-OH 3.38Å
308L90.2Very high86.8Confident9 Ų923.6 Ų23.65%0.04711%0.114CC..Hα-helixtrans-58.3-43.3179.3179.962.3000112.2V304 N305 W306 F311 L312 V353 I356 R357 M405V304-L308 VanDerWaalsContact O-CB 3.25Å; V304-L308 WeakPolarHBondContact O-CB 3.5Å; V304-L308 PolarHBondContact O-N 2.91Å; N305-L308 PolarHBondContact O-N 2.85Å; W306-L308 VanDerWaalsContact C-N 3.35Å; W306-L308 PolarHBondContact O-N 3.38Å; L308-F311 PolarHBondContact O-N 3.45Å; L308-L312 HydrophobicContact CD1-CD1 4.2Å; L308-L312 HydrophobicContact CD1-CG 4.28Å; L308-L312 HydrophobicContact CG-CD1 4.2Å; L308-L312 WeakPolarHBondContact O-CB 3.49Å; L308-L312 VanDerWaalsContact O-CG 3.27Å; L308-L312 WeakPolarHBondContact O-CG 3.47Å; L308-L312 PolarHBondContact O-N 3.18Å; L308-V353 HydrophobicContact CD1-CB 3.74Å; L308-V353 HydrophobicContact CD1-CG2 3.81Å; L308-I356 HydrophobicContact CD2-CB 4.26Å; L308-I356 HydrophobicContact CD2-CG2 4.26Å; L308-R357 HydrophobicContact CD2-CB 4.23Å; L308-M405 HydrophobicContact CB-SD 4.41Å
309M84.8Confident87.3Confident32 Ų3221.4 Ų21.416%0.15811%0.105CC..Hα-helixtrans-62.2-45.4176.4-66.8-163.3-49.700112L272 N276 Y277 N305 W306 E307 L312 E313L272-M309 HydrophobicContact CB-CE 4.5Å; L272-M309 HydrophobicContact CD1-CE 4.2Å; N276-M309 HydrophobicContact CB-SD 3.66Å; Y277-M309 HydrophobicContact CD1-CE 4.08Å; Y277-M309 HydrophobicContact CE1-CE 3.38Å; Y277-M309 HydrophobicContact CE1-SD 4.42Å; Y277-M309 HydrophobicContact CE2-CE 4.44Å; N305-M309 WeakPolarHBondContact O-CG 3.1Å; N305-M309 PolarHBondContact O-N 3.1Å; W306-M309 PolarHBondContact O-N 3.39Å; E307-M309 VanDerWaalsContact C-N 3.34Å; E307-M309 PolarHBondContact O-N 3.14Å; M309-L312 PolarHBondContact O-N 2.62Å; M309-E313 PolarHBondContact O-N 3.4Å
310I87.2Confident87.5Confident22 Ų2225.3 Ų25.311%0.11313%0.126CC..Hα-helixtrans-68.9-38.2-178.7-64.7174.2000110.7R74 W306 E307 E313 M314R74-I310 HydrophobicContact CG-CG2 4.1Å; W306-I310 HydrophobicContact CD2-CD1 4.03Å; W306-I310 HydrophobicContact CG-CD1 4.44Å; W306-I310 HydrophobicContact CZ2-CD1 3.83Å; W306-I310 PolarHBondContact O-N 2.93Å; E307-I310 PolarHBondContact O-N 3.47Å; I310-E313 PolarHBondContact O-N 3.38Å; I310-M314 HydrophobicContact CG2-CG 4.19Å; I310-M314 VanDerWaalsContact O-CB 3.27Å; I310-M314 WeakPolarHBondContact O-CB 3.5Å; I310-M314 VanDerWaalsContact O-CG 3.31Å; I310-M314 WeakPolarHBondContact O-CG 3.42Å; I310-M314 PolarHBondContact O-N 3.49Å
311F92.3Very high87.6Confident0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-59.4-52.6175.1-173.3-79.8000110.8E307 L308 E313 M314 F315 A349 V353 M405 H408 Y409E307-F311 VanDerWaalsContact O-CB 3.24Å; E307-F311 WeakPolarHBondContact O-CB 3.29Å; E307-F311 PolarHBondContact O-N 2.65Å; L308-F311 PolarHBondContact O-N 3.45Å; F311-E313 VanDerWaalsContact C-N 3.34Å; F311-E313 PolarHBondContact O-N 3.2Å; F311-M314 PolarHBondContact O-N 3.46Å; F311-F315 AromaticContact CD1-CD2 3.9Å; F311-F315 HydrophobicContact CD1-CD2 3.9Å; F311-F315 HydrophobicContact CD1-CE2 4.29Å; F311-F315 HydrophobicContact CD1-CG 4.21Å; F311-F315 HydrophobicContact CD2-CD2 4.16Å; F311-F315 AromaticContact CD2-CE2 3.85Å; F311-F315 HydrophobicContact CD2-CE2 3.85Å; F311-F315 HydrophobicContact CE1-CD1 4.03Å; F311-F315 AromaticContact CE1-CD2 3.75Å; F311-F315 HydrophobicContact CE1-CD2 3.75Å; F311-F315 HydrophobicContact CE1-CE1 4.16Å; F311-F315 AromaticContact CE1-CE2 3.91Å; F311-F315 HydrophobicContact CE1-CE2 3.91Å; F311-F315 AromaticContact CE1-CG 3.84Å; F311-F315 HydrophobicContact CE1-CG 3.84Å; F311-F315 HydrophobicContact CE1-CZ 4.14Å; F311-F315 AromaticContact CE2-CD2 4Å; F311-F315 HydrophobicContact CE2-CD2 4Å; F311-F315 HydrophobicContact CE2-CE1 4.45Å; F311-F315 AromaticContact CE2-CE2 3.39Å; F311-F315 HydrophobicContact CE2-CE2 3.39Å; F311-F315 AromaticContact CE2-CZ 3.69Å; F311-F315 HydrophobicContact CE2-CZ 3.69Å; F311-F315 HydrophobicContact CG-CD2 4.12Å; F311-F315 HydrophobicContact CG-CE2 4.28Å; F311-F315 HydrophobicContact CZ-CD1 4.11Å; F311-F315 AromaticContact CZ-CD2 3.81Å; F311-F315 HydrophobicContact CZ-CD2 3.81Å; F311-F315 AromaticContact CZ-CE1 3.76Å; F311-F315 HydrophobicContact CZ-CE1 3.76Å; F311-F315 AromaticContact CZ-CE2 3.45Å; F311-F315 HydrophobicContact CZ-CE2 3.45Å; F311-F315 VanDerWaalsContact CZ-CE2 3.45Å; F311-F315 HydrophobicContact CZ-CG 4.15Å; F311-F315 AromaticContact CZ-CZ 3.45Å; F311-F315 HydrophobicContact CZ-CZ 3.45Å; F311-F315 VanDerWaalsContact CZ-CZ 3.45Å; F311-F315 WeakPolarHBondContact O-CB 3.42Å; F311-F315 VanDerWaalsContact O-CD2 3.29Å; F311-F315 WeakPolarHBondContact O-CD2 3.25Å; F311-F315 PolarHBondContact O-N 3.08Å; F311-A349 HydrophobicContact CZ-CB 4.25Å; F311-V353 HydrophobicContact CD1-CB 4.37Å; F311-V353 HydrophobicContact CD1-CG1 4.12Å; F311-V353 HydrophobicContact CD1-CG2 3.55Å; F311-V353 HydrophobicContact CE1-CB 4.28Å; F311-V353 HydrophobicContact CE1-CG1 3.73Å; F311-V353 HydrophobicContact CE1-CG2 3.56Å; F311-V353 HydrophobicContact CZ-CG1 3.97Å; F311-M405 HydrophobicContact CB-SD 4.24Å; F311-M405 HydrophobicContact CD2-CB 3.77Å; F311-M405 HydrophobicContact CD2-CG 3.8Å; F311-M405 HydrophobicContact CD2-SD 4.41Å; F311-M405 HydrophobicContact CE2-CB 4.03Å; F311-M405 HydrophobicContact CE2-CG 4.11Å; F311-M405 HydrophobicContact CG-CG 4.25Å; F311-M405 HydrophobicContact CG-SD 4.4Å; F311-H408 HydrophobicContact CE2-CB 3.6Å; F311-H408 HydrophobicContact CZ-CB 3.63Å; F311-Y409 VanDerWaalsContact CA-OH 3.3Å; F311-Y409 WeakPolarHBondContact CA-OH 3.49Å; F311-Y409 HydrophobicContact CD2-CD1 4.49Å; F311-Y409 AromaticContact CD2-CE1 3.91Å; F311-Y409 HydrophobicContact CD2-CE1 3.91Å; F311-Y409 AromaticContact CD2-CE2 3.95Å; F311-Y409 HydrophobicContact CD2-CE2 3.95Å; F311-Y409 AromaticContact CD2-CZ 3.63Å; F311-Y409 HydrophobicContact CE2-CE1 4.47Å; F311-Y409 PolarHBondContact N-OH 2.94Å
312L88.5Confident87.6Confident49 Ų4925.9 Ų25.926%0.25713%0.128SC..Hα-helixtrans-59.3-44.7178.8-70.6171.7000111.4L308 M309 C316 V350 V353L308-L312 HydrophobicContact CD1-CD1 4.2Å; L308-L312 HydrophobicContact CD1-CG 4.28Å; L308-L312 HydrophobicContact CG-CD1 4.2Å; L308-L312 WeakPolarHBondContact O-CB 3.49Å; L308-L312 VanDerWaalsContact O-CG 3.27Å; L308-L312 WeakPolarHBondContact O-CG 3.47Å; L308-L312 PolarHBondContact O-N 3.18Å; M309-L312 PolarHBondContact O-N 2.62Å; L312-C316 WeakPolarHBondContact O-CB 3.48Å; L312-C316 PolarHBondContact O-N 3Å; L312-C316 PolarHBondContact O-SG 3.28Å; L312-V350 HydrophobicContact CD2-CG1 3.84Å; L312-V353 HydrophobicContact CD2-CG2 3.88Å; L312-V353 HydrophobicContact CG-CG2 4.48Å
313E85.8Confident87.9Confident83 Ų8329.9 Ų29.939%0.38814%0.14SC..Hα-helixtrans-62.4-48.9177.2-174.2179.1-178.700112.3M309 I310 F311 F315 C316 R317M309-E313 PolarHBondContact O-N 3.4Å; I310-E313 PolarHBondContact O-N 3.38Å; F311-E313 VanDerWaalsContact C-N 3.34Å; F311-E313 PolarHBondContact O-N 3.2Å; E313-F315 PolarHBondContact O-N 2.78Å; E313-C316 PolarHBondContact O-N 3.43Å; E313-R317 WeakPolarHBondContact O-CG 3.06Å; E313-R317 PolarHBondContact O-N 3.36Å; E313-R317 IonicContact OE1-CZ 2.65Å; E313-R317 VanDerWaalsContact OE1-CZ 3.25Å; E313-R317 IonicContact OE1-NE 3.6Å; E313-R317 PolarHBondContact OE1-NE 2.94Å; E313-R317 VanDerWaalsContact OE1-NE 3.14Å; E313-R317 IonicContact OE1-NH2 3.1Å; E313-R317 PolarHBondContact OE1-NH2 3.38Å
314M86.1Confident87.8Confident9 Ų932 Ų324%0.04416%0.156CC..Hα-helixtrans-66.6-37.1-177.7-76.1-57-4500112.6Q70 F71 I310 F311 R317 A318Q70-M314 HydrophobicContact CB-CE 3.37Å; Q70-M314 HydrophobicContact CB-SD 3.97Å; Q70-M314 HydrophobicContact CG-CE 3.98Å; Q70-M314 HydrophobicContact CG-SD 4.23Å; F71-M314 HydrophobicContact CD1-CE 4.4Å; F71-M314 HydrophobicContact CE1-CB 4.09Å; F71-M314 HydrophobicContact CE1-CE 4.34Å; I310-M314 HydrophobicContact CG2-CG 4.19Å; I310-M314 VanDerWaalsContact O-CB 3.27Å; I310-M314 WeakPolarHBondContact O-CB 3.5Å; I310-M314 VanDerWaalsContact O-CG 3.31Å; I310-M314 WeakPolarHBondContact O-CG 3.42Å; I310-M314 PolarHBondContact O-N 3.49Å; F311-M314 PolarHBondContact O-N 3.46Å; M314-R317 PolarHBondContact O-N 3.42Å; M314-A318 PolarHBondContact O-N 2.92Å
315F93.1Very high87.4Confident0 Ų032.4 Ų32.40%016%0.158CC..Hα-helixtrans-71.3-39175.3-85.4-114.6000111.9F71 F311 E313 A318 I319 L346 A349 V350 H408 Y409 M412F71-F315 HydrophobicContact CE1-CD2 4.06Å; F71-F315 AromaticContact CE1-CE2 3.91Å; F71-F315 HydrophobicContact CE1-CE2 3.91Å; F71-F315 HydrophobicContact CZ-CD2 4.3Å; F71-F315 HydrophobicContact CZ-CE2 4.11Å; F71-F315 HydrophobicContact CZ-CZ 4.43Å; F311-F315 AromaticContact CD1-CD2 3.9Å; F311-F315 HydrophobicContact CD1-CD2 3.9Å; F311-F315 HydrophobicContact CD1-CE2 4.29Å; F311-F315 HydrophobicContact CD1-CG 4.21Å; F311-F315 HydrophobicContact CD2-CD2 4.16Å; F311-F315 AromaticContact CD2-CE2 3.85Å; F311-F315 HydrophobicContact CD2-CE2 3.85Å; F311-F315 HydrophobicContact CE1-CD1 4.03Å; F311-F315 AromaticContact CE1-CD2 3.75Å; F311-F315 HydrophobicContact CE1-CD2 3.75Å; F311-F315 HydrophobicContact CE1-CE1 4.16Å; F311-F315 AromaticContact CE1-CE2 3.91Å; F311-F315 HydrophobicContact CE1-CE2 3.91Å; F311-F315 AromaticContact CE1-CG 3.84Å; F311-F315 HydrophobicContact CE1-CG 3.84Å; F311-F315 HydrophobicContact CE1-CZ 4.14Å; F311-F315 AromaticContact CE2-CD2 4Å; F311-F315 HydrophobicContact CE2-CD2 4Å; F311-F315 HydrophobicContact CE2-CE1 4.45Å; F311-F315 AromaticContact CE2-CE2 3.39Å; F311-F315 HydrophobicContact CE2-CE2 3.39Å; F311-F315 AromaticContact CE2-CZ 3.69Å; F311-F315 HydrophobicContact CE2-CZ 3.69Å; F311-F315 HydrophobicContact CG-CD2 4.12Å; F311-F315 HydrophobicContact CG-CE2 4.28Å; F311-F315 HydrophobicContact CZ-CD1 4.11Å; F311-F315 AromaticContact CZ-CD2 3.81Å; F311-F315 HydrophobicContact CZ-CD2 3.81Å; F311-F315 AromaticContact CZ-CE1 3.76Å; F311-F315 HydrophobicContact CZ-CE1 3.76Å; F311-F315 AromaticContact CZ-CE2 3.45Å; F311-F315 HydrophobicContact CZ-CE2 3.45Å; F311-F315 VanDerWaalsContact CZ-CE2 3.45Å; F311-F315 HydrophobicContact CZ-CG 4.15Å; F311-F315 AromaticContact CZ-CZ 3.45Å; F311-F315 HydrophobicContact CZ-CZ 3.45Å; F311-F315 VanDerWaalsContact CZ-CZ 3.45Å; F311-F315 WeakPolarHBondContact O-CB 3.42Å; F311-F315 VanDerWaalsContact O-CD2 3.29Å; F311-F315 WeakPolarHBondContact O-CD2 3.25Å; F311-F315 PolarHBondContact O-N 3.08Å; E313-F315 PolarHBondContact O-N 2.78Å; F315-A318 PolarHBondContact O-N 3.45Å; F315-I319 WeakPolarHBondContact O-CB 3.48Å; F315-I319 VanDerWaalsContact O-CG1 3.24Å; F315-I319 WeakPolarHBondContact O-CG1 3.38Å; F315-I319 PolarHBondContact O-N 2.85Å; F315-L346 HydrophobicContact CD1-CD2 3.77Å; F315-L346 HydrophobicContact CE1-CD2 3.92Å; F315-A349 HydrophobicContact CD1-CB 3.86Å; F315-A349 HydrophobicContact CE1-CB 3.44Å; F315-A349 VanDerWaalsContact CE1-CB 3.44Å; F315-A349 HydrophobicContact CZ-CB 4.39Å; F315-V350 HydrophobicContact CB-CG2 3.61Å; F315-V350 HydrophobicContact CD1-CG2 4.32Å; F315-V350 HydrophobicContact CG-CG2 4.32Å; F315-H408 HydrophobicContact CE1-CB 4.46Å; F315-H408 HydrophobicContact CZ-CB 3.89Å; F315-Y409 HydrophobicContact CD2-CE1 4.37Å; F315-Y409 AromaticContact CE2-CD1 3.75Å; F315-Y409 HydrophobicContact CE2-CD1 3.75Å; F315-Y409 AromaticContact CE2-CE1 3.87Å; F315-Y409 HydrophobicContact CE2-CE1 3.87Å; F315-M412 HydrophobicContact CE1-CB 4.42Å; F315-M412 HydrophobicContact CE1-CG 3.52Å; F315-M412 HydrophobicContact CZ-CB 4.22Å; F315-M412 HydrophobicContact CZ-CG 3.69Å
316C87.6Confident87.2Confident62 Ų6234 Ų3442%0.41916%0.163SC..Hα-helixtrans-58.7-47.5170.9-75.40000111.7L312 E313 A318 I319 D320L312-C316 WeakPolarHBondContact O-CB 3.48Å; L312-C316 PolarHBondContact O-N 3Å; L312-C316 PolarHBondContact O-SG 3.28Å; E313-C316 PolarHBondContact O-N 3.43Å; C316-A318 VanDerWaalsContact C-N 3.29Å; C316-A318 PolarHBondContact O-N 3.48Å; C316-I319 PolarHBondContact O-N 2.74Å; C316-I319 VanDerWaalsContact O-N 3.16Å; C316-D320 PolarHBondContact O-N 3.01Å
317R85.5Confident86.9Confident116 Ų11638 Ų3844%0.43819%0.185SC..Hα-helixtrans-57.1-40.7175.1-70.9170.7177.5-139.75.7112.1E313 M314 W321E313-R317 WeakPolarHBondContact O-CG 3.06Å; E313-R317 PolarHBondContact O-N 3.36Å; E313-R317 IonicContact OE1-CZ 2.65Å; E313-R317 VanDerWaalsContact OE1-CZ 3.25Å; E313-R317 IonicContact OE1-NE 3.6Å; E313-R317 PolarHBondContact OE1-NE 2.94Å; E313-R317 VanDerWaalsContact OE1-NE 3.14Å; E313-R317 IonicContact OE1-NH2 3.1Å; E313-R317 PolarHBondContact OE1-NH2 3.38Å; M314-R317 PolarHBondContact O-N 3.42Å; R317-W321 WeakPolarHBondContact O-CB 3.3Å; R317-W321 PolarHBondContact O-N 3.45Å
318A90.8Very high86.2Confident0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-68-41.4175.900000112.8V67 F71 M314 F315 C316 W321 V322 L346V67-A318 HydrophobicContact CG1-CB 3.84Å; F71-A318 HydrophobicContact CE2-CB 4.5Å; F71-A318 HydrophobicContact CZ-CB 3.81Å; M314-A318 PolarHBondContact O-N 2.92Å; F315-A318 PolarHBondContact O-N 3.45Å; C316-A318 VanDerWaalsContact C-N 3.29Å; C316-A318 PolarHBondContact O-N 3.48Å; A318-W321 WeakPolarHBondContact O-CB 3.16Å; A318-W321 PolarHBondContact O-N 3.09Å; A318-V322 WeakPolarHBondContact O-CG2 3.49Å; A318-V322 PolarHBondContact O-N 3.31Å; A318-L346 HydrophobicContact CB-CD1 4.07Å; A318-L346 HydrophobicContact CB-CD2 3.94Å
319I91.4Very high85.2Confident6 Ų639.4 Ų39.43%0.03120%0.195CC..Hα-helixtrans-61.5-46.3176.1-71.2164.1000110.5F315 C316 W321 V322 R323 L346 V350F315-I319 WeakPolarHBondContact O-CB 3.48Å; F315-I319 VanDerWaalsContact O-CG1 3.24Å; F315-I319 WeakPolarHBondContact O-CG1 3.38Å; F315-I319 PolarHBondContact O-N 2.85Å; C316-I319 PolarHBondContact O-N 2.74Å; C316-I319 VanDerWaalsContact O-N 3.16Å; I319-W321 VanDerWaalsContact C-N 3.33Å; I319-W321 PolarHBondContact O-N 3.28Å; I319-V322 PolarHBondContact O-N 3.19Å; I319-R323 HydrophobicContact CG2-CG 4.41Å; I319-R323 WeakPolarHBondContact O-CB 3.49Å; I319-R323 VanDerWaalsContact O-CG 3.31Å; I319-R323 WeakPolarHBondContact O-CG 3.49Å; I319-R323 PolarHBondContact O-N 3.26Å; I319-L346 HydrophobicContact CD1-CB 4.01Å; I319-L346 HydrophobicContact CG1-CB 3.46Å; I319-L346 VanDerWaalsContact CG1-CB 3.46Å; I319-L346 HydrophobicContact CG1-CD1 4.06Å; I319-L346 HydrophobicContact CG1-CG 4.33Å; I319-V350 HydrophobicContact CD1-CG2 4.2Å
320D86.4Confident84.2Confident84 Ų8444.1 Ų44.145%0.44922%0.221SC..Hα-helixtrans-67.7-33179.5-72.5-18.9000112.6C316 R323 S324C316-D320 PolarHBondContact O-N 3.01Å; D320-R323 IonicContact OD1-NH1 2.67Å; D320-S324 VanDerWaalsContact O-CB 3.27Å; D320-S324 WeakPolarHBondContact O-CB 3.34Å; D320-S324 PolarHBondContact O-N 2.72Å; D320-S324 PolarHBondContact O-OG 3.31Å
321W87.7Confident82.7Confident15 Ų1546.5 Ų46.56%0.05725%0.251CS..Hα-helixtrans-60.6-51.7167.7-179.591.8000111.3Y60 L64 R317 A318 I319 R323 S324 F325 L339 L416Y60-W321 AromaticContact CD1-NE1 3.87Å; Y60-W321 PolarHBondContact O-NE1 3.42Å; L64-W321 HydrophobicContact CB-CZ2 3.79Å; L64-W321 HydrophobicContact CD1-CD2 4.14Å; L64-W321 HydrophobicContact CD1-CE3 4.07Å; L64-W321 HydrophobicContact CD1-CH2 3.99Å; L64-W321 HydrophobicContact CD1-CZ2 4.02Å; L64-W321 HydrophobicContact CD1-CZ3 4.01Å; L64-W321 HydrophobicContact CD2-CH2 3.91Å; L64-W321 HydrophobicContact CD2-CZ2 3.86Å; L64-W321 HydrophobicContact CG-CH2 4.36Å; L64-W321 HydrophobicContact CG-CZ2 4.1Å; R317-W321 WeakPolarHBondContact O-CB 3.3Å; R317-W321 PolarHBondContact O-N 3.45Å; A318-W321 WeakPolarHBondContact O-CB 3.16Å; A318-W321 PolarHBondContact O-N 3.09Å; I319-W321 VanDerWaalsContact C-N 3.33Å; I319-W321 PolarHBondContact O-N 3.28Å; W321-R323 VanDerWaalsContact C-N 3.31Å; W321-R323 PolarHBondContact O-N 3.01Å; W321-S324 PolarHBondContact O-N 3.18Å; W321-F325 HydrophobicContact CH2-CB 4.42Å; W321-F325 AromaticContact CH2-CD1 3.73Å; W321-F325 HydrophobicContact CH2-CD1 3.73Å; W321-F325 HydrophobicContact CH2-CE1 4.19Å; W321-F325 HydrophobicContact CH2-CG 4.13Å; W321-F325 HydrophobicContact CZ2-CB 4.31Å; W321-F325 HydrophobicContact CZ2-CD1 4.09Å; W321-F325 HydrophobicContact CZ2-CD2 4.49Å; W321-F325 HydrophobicContact CZ2-CG 4.07Å; W321-F325 HydrophobicContact CZ3-CD1 4.31Å; W321-F325 VanDerWaalsContact O-CB 3.3Å; W321-F325 WeakPolarHBondContact O-CB 3.44Å; W321-F325 PolarHBondContact O-N 2.94Å; W321-L339 HydrophobicContact CZ3-CD2 4.48Å; W321-L416 HydrophobicContact CE3-CD2 4.38Å; W321-L416 HydrophobicContact CZ3-CD2 4.11Å
322V88Confident81.3Confident0 Ų047.7 Ų47.70%026%0.259CS..Hα-helixtrans-59.3-42.5179.6171.50000111.1A318 I319 R326 L339 L342 E343 L346 L416A318-V322 WeakPolarHBondContact O-CG2 3.49Å; A318-V322 PolarHBondContact O-N 3.31Å; I319-V322 PolarHBondContact O-N 3.19Å; V322-R326 VanDerWaalsContact O-CB 3.32Å; V322-R326 WeakPolarHBondContact O-CB 3.23Å; V322-R326 PolarHBondContact O-N 3.39Å; V322-L339 HydrophobicContact CG1-CB 4.04Å; V322-L339 HydrophobicContact CG1-CD2 4.18Å; V322-L339 VanDerWaalsContact CG1-O 3.22Å; V322-L339 WeakPolarHBondContact CG1-O 3.24Å; V322-L342 HydrophobicContact CG2-CB 4.45Å; V322-E343 HydrophobicContact CG1-CB 3.94Å; V322-L346 HydrophobicContact CG2-CD1 3.87Å; V322-L416 HydrophobicContact CG2-CD2 3.95Å
323R87.1Confident80.2Confident93 Ų9348.3 Ų48.335%0.35127%0.272SS..Hα-helixtrans-62.6-50.8176.7-73.7171.3174.2157.15.9112I319 D320 W321 R326 M327 E343I319-R323 HydrophobicContact CG2-CG 4.41Å; I319-R323 WeakPolarHBondContact O-CB 3.49Å; I319-R323 VanDerWaalsContact O-CG 3.31Å; I319-R323 WeakPolarHBondContact O-CG 3.49Å; I319-R323 PolarHBondContact O-N 3.26Å; D320-R323 IonicContact OD1-NH1 2.67Å; W321-R323 VanDerWaalsContact C-N 3.31Å; W321-R323 PolarHBondContact O-N 3.01Å; R323-R326 PolarHBondContact O-N 3.3Å; R323-M327 WeakPolarHBondContact O-CG 3.46Å; R323-M327 PolarHBondContact O-N 3.48Å; R323-E343 IonicContact CZ-OE1 2.72Å; R323-E343 VanDerWaalsContact CZ-OE1 3.28Å; R323-E343 IonicContact NE-OE1 2.85Å; R323-E343 PolarHBondContact NE-OE1 3.34Å; R323-E343 IonicContact NH2-OE1 3.31Å; R323-E343 PolarHBondContact NH2-OE1 3.34Å
324S82.2Confident79.4Confident53 Ų5350.2 Ų50.237%0.37128%0.278SS..Hα-helixtrans-63.2-43.5-179.8-60.20000111.5Y60 D320 W321 M327 A328Y60-S324 PolarHBondContact OH-O 2.96Å; D320-S324 VanDerWaalsContact O-CB 3.27Å; D320-S324 WeakPolarHBondContact O-CB 3.34Å; D320-S324 PolarHBondContact O-N 2.72Å; D320-S324 PolarHBondContact O-OG 3.31Å; W321-S324 PolarHBondContact O-N 3.18Å; S324-M327 PolarHBondContact O-N 3.07Å; S324-A328 PolarHBondContact O-N 3.18Å
325F82.3Confident78.7Confident8 Ų850.9 Ų50.94%0.03528%0.281CS..Hα-helixtrans-64.5-42.7177.8-170.1-123.8000111.7Y60 W321 M327 A328 L329 L339 F423Y60-F325 HydrophobicContact CD1-CB 4.09Å; Y60-F325 HydrophobicContact CD1-CD2 4.06Å; Y60-F325 AromaticContact CD2-CD2 3.83Å; Y60-F325 HydrophobicContact CD2-CD2 3.83Å; Y60-F325 HydrophobicContact CD2-CE2 4.42Å; Y60-F325 HydrophobicContact CE1-CB 4.3Å; Y60-F325 HydrophobicContact CE2-CD2 4.48Å; Y60-F325 AromaticContact CG-CD2 3.63Å; Y60-F325 HydrophobicContact CG-CD2 3.63Å; Y60-F325 HydrophobicContact CG-CE2 4.34Å; Y60-F325 HydrophobicContact CG-CG 4.49Å; W321-F325 HydrophobicContact CH2-CB 4.42Å; W321-F325 AromaticContact CH2-CD1 3.73Å; W321-F325 HydrophobicContact CH2-CD1 3.73Å; W321-F325 HydrophobicContact CH2-CE1 4.19Å; W321-F325 HydrophobicContact CH2-CG 4.13Å; W321-F325 HydrophobicContact CZ2-CB 4.31Å; W321-F325 HydrophobicContact CZ2-CD1 4.09Å; W321-F325 HydrophobicContact CZ2-CD2 4.49Å; W321-F325 HydrophobicContact CZ2-CG 4.07Å; W321-F325 HydrophobicContact CZ3-CD1 4.31Å; W321-F325 VanDerWaalsContact O-CB 3.3Å; W321-F325 WeakPolarHBondContact O-CB 3.44Å; W321-F325 PolarHBondContact O-N 2.94Å; F325-M327 VanDerWaalsContact C-N 3.32Å; F325-M327 PolarHBondContact O-N 2.92Å; F325-A328 WeakPolarHBondContact O-CB 3.3Å; F325-A328 PolarHBondContact O-N 3.5Å; F325-A328 VanDerWaalsContact O-N 3.13Å; F325-L329 HydrophobicContact CD1-CD1 4.16Å; F325-L329 HydrophobicContact CE1-CD1 3.79Å; F325-L329 HydrophobicContact CE1-CG 4.45Å; F325-L329 HydrophobicContact CE2-CD2 4.39Å; F325-L329 HydrophobicContact CE2-CG 4.47Å; F325-L329 HydrophobicContact CZ-CD1 4.05Å; F325-L329 HydrophobicContact CZ-CD2 4.32Å; F325-L329 HydrophobicContact CZ-CG 4.35Å; F325-L329 WeakPolarHBondContact O-CG 3.31Å; F325-L329 PolarHBondContact O-N 2.95Å; F325-L339 HydrophobicContact CD1-CD1 3.74Å; F325-L339 HydrophobicContact CD1-CD2 3.93Å; F325-L339 HydrophobicContact CE1-CD1 4.28Å; F325-L339 HydrophobicContact CE1-CD2 4.5Å; F325-F423 HydrophobicContact CE1-CD1 4.37Å; F325-F423 HydrophobicContact CE1-CG 4.48Å; F325-F423 HydrophobicContact CE2-CE1 4.46Å; F325-F423 AromaticContact CZ-CD1 3.84Å; F325-F423 HydrophobicContact CZ-CD1 3.84Å; F325-F423 AromaticContact CZ-CE1 3.63Å; F325-F423 HydrophobicContact CZ-CE1 3.63Å; F325-F423 HydrophobicContact CZ-CE2 4.44Å; F325-F423 HydrophobicContact CZ-CG 4.34Å; F325-F423 AromaticContact CZ-CZ 3.97Å; F325-F423 HydrophobicContact CZ-CZ 3.97Å
326R80.8Confident77.7Confident38 Ų3851 Ų5114%0.14328%0.282CS..Hα-helixtrans-58.9-41.8172.4-178.3178.262.2-145.7-11.9112.3V322 R323 A328 L329 C336 L339 W340 E343V322-R326 VanDerWaalsContact O-CB 3.32Å; V322-R326 WeakPolarHBondContact O-CB 3.23Å; V322-R326 PolarHBondContact O-N 3.39Å; R323-R326 PolarHBondContact O-N 3.3Å; R326-A328 VanDerWaalsContact C-N 3.31Å; R326-L329 PolarHBondContact O-N 3.46Å; R326-C336 HydrophobicContact CG-CB 4.41Å; R326-L339 HydrophobicContact CB-CB 4.37Å; R326-L339 HydrophobicContact CB-CD1 3.98Å; R326-W340 VanDerWaalsContact NH1-CD2 3.3Å; R326-W340 VanDerWaalsContact NH1-CE2 3.29Å; R326-E343 IonicContact CZ-OE2 3.9Å; R326-E343 IonicContact NH1-OE2 3.95Å; R326-E343 PolarHBondContact NH1-OE2 3.41Å; R326-E343 IonicContact NH2-OE2 3.14Å; R326-E343 PolarHBondContact NH2-OE2 2.92Å
327M78.7Confident77.3Confident120 Ų12048.7 Ų48.759%0.59127%0.267SS*.Hα-helixtrans-65.7-33.5176.3-71.8-61.7-65.800112.4R323 S324 F325 N330R323-M327 WeakPolarHBondContact O-CG 3.46Å; R323-M327 PolarHBondContact O-N 3.48Å; S324-M327 PolarHBondContact O-N 3.07Å; F325-M327 VanDerWaalsContact C-N 3.32Å; F325-M327 PolarHBondContact O-N 2.92Å; M327-N330 WeakPolarHBondContact O-CB 3.33Å
328A73.4Confident77.1Confident19 Ų1944.1 Ų44.116%0.15725%0.254CS..Hα-helixtrans-68.4-39.3173.700000112.4F52 Y60 S324 F325 R326 N330F52-A328 HydrophobicContact CE1-CB 4Å; F52-A328 WeakPolarHBondContact CE1-O 3.48Å; F52-A328 HydrophobicContact CZ-CB 4Å; Y60-A328 HydrophobicContact CE2-CB 3.72Å; S324-A328 PolarHBondContact O-N 3.18Å; F325-A328 WeakPolarHBondContact O-CB 3.3Å; F325-A328 PolarHBondContact O-N 3.5Å; F325-A328 VanDerWaalsContact O-N 3.13Å; R326-A328 VanDerWaalsContact C-N 3.31Å; A328-N330 PolarHBondContact O-N 2.93Å
329L70.4Confident76.9Confident18 Ų1844.7 Ų44.79%0.09426%0.257CS..THydrogen-bonded Turntrans-73.919.2179.5-63.5-176.2000115.1F325 R326 G331 C332 L339 F423F325-L329 HydrophobicContact CD1-CD1 4.16Å; F325-L329 HydrophobicContact CE1-CD1 3.79Å; F325-L329 HydrophobicContact CE1-CG 4.45Å; F325-L329 HydrophobicContact CE2-CD2 4.39Å; F325-L329 HydrophobicContact CE2-CG 4.47Å; F325-L329 HydrophobicContact CZ-CD1 4.05Å; F325-L329 HydrophobicContact CZ-CD2 4.32Å; F325-L329 HydrophobicContact CZ-CG 4.35Å; F325-L329 WeakPolarHBondContact O-CG 3.31Å; F325-L329 PolarHBondContact O-N 2.95Å; R326-L329 PolarHBondContact O-N 3.46Å; L329-G331 PolarHBondContact O-N 3.38Å; L329-C332 PolarHBondContact O-N 3.41Å; L329-L339 HydrophobicContact CD1-CD1 3.81Å; L329-F423 HydrophobicContact CD1-CD2 4.11Å; L329-F423 HydrophobicContact CD1-CE2 3.67Å; L329-F423 HydrophobicContact CD1-CZ 4.27Å; L329-F423 HydrophobicContact CD2-CE2 3.59Å; L329-F423 HydrophobicContact CD2-CZ 3.53Å; L329-F423 HydrophobicContact CG-CE2 4.3Å
330N63.3Low76.7Confident131 Ų13148.7 Ų48.770%0.70127%0.272SS*.THydrogen-bonded Turntrans-48.1107.8-168.9-149.7-7.1000112.8M327 A328M327-N330 WeakPolarHBondContact O-CB 3.33Å; A328-N330 PolarHBondContact O-N 2.93Å
331G55.4Low76.8Confident73 Ų7346.9 Ų46.975%0.75327%0.268SS*.THydrogen-bonded Turntrans113.7-11.8-176.400000116L329 A333L329-G331 PolarHBondContact O-N 3.38Å; G331-A333 PolarHBondContact O-N 3.48Å
332C63.9Low76.9Confident24 Ų2446.3 Ų46.316%0.16227%0.266CS..  trans-93.378.3179.6-147.50000113.3L329 K334 Y335 C336L329-C332 PolarHBondContact O-N 3.41Å; C332-K334 PolarHBondContact O-N 2.83Å; C332-Y335 HydrophobicContact CB-CD2 3.97Å; C332-Y335 PolarHBondContact O-N 2.98Å; C332-Y335 WeakPolarHBondContact SG-CD2 3.25Å; C332-Y335 WeakPolarHBondContact SG-CE2 3.36Å; C332-C336 PolarHBondContact O-N 2.88Å; C332-C336 VanDerWaalsContact O-N 3.15Å; C332-C336 PolarHBondContact O-SG 3.47Å; C332-C336 VanDerWaalsContact O-SG 3.38Å
333A63.9Low77.1Confident63 Ų6347 Ų4752%0.52127%0.27SS..Hα-helixtrans-50.7-35.1-171.600000115.5G331 A337G331-A333 PolarHBondContact O-N 3.48Å; A333-A337 PolarHBondContact O-N 2.72Å
334K70Confident77.5Confident122 Ų12250.3 Ų50.353%0.5329%0.287SS..Hα-helixtrans-62.9-53.2179.8-172.8-174.3174.4-168.90112C332 A337 A338 E426C332-K334 PolarHBondContact O-N 2.83Å; K334-A337 PolarHBondContact O-N 3.22Å; K334-A338 PolarHBondContact O-N 2.82Å; K334-E426 WeakPolarHBondContact CE-OE2 3.13Å; K334-E426 IonicContact NZ-OE1 2.91Å; K334-E426 PolarHBondContact NZ-OE1 2.8Å; K334-E426 IonicContact NZ-OE2 2.75Å; K334-E426 PolarHBondContact NZ-OE2 2.99Å
335Y70.3Confident78Confident23 Ų2353.3 Ų53.39%0.0929%0.29CS..Hα-helixtrans-73.6-30.6-179.3-51.1-61.1000112.3C332 A337 A338 L339 F423 E426 N427C332-Y335 HydrophobicContact CB-CD2 3.97Å; C332-Y335 PolarHBondContact O-N 2.98Å; C332-Y335 WeakPolarHBondContact SG-CD2 3.25Å; C332-Y335 WeakPolarHBondContact SG-CE2 3.36Å; Y335-A337 PolarHBondContact O-N 3.47Å; Y335-A338 PolarHBondContact O-N 3.47Å; Y335-L339 WeakPolarHBondContact O-CB 3.49Å; Y335-L339 WeakPolarHBondContact O-CG 3.27Å; Y335-L339 PolarHBondContact O-N 3.48Å; Y335-F423 HydrophobicContact CD1-CB 4.36Å; Y335-F423 AromaticContact CD1-CD2 3.81Å; Y335-F423 HydrophobicContact CD1-CD2 3.81Å; Y335-F423 AromaticContact CD2-CD2 3.59Å; Y335-F423 HydrophobicContact CD2-CD2 3.59Å; Y335-F423 AromaticContact CD2-CE2 3.74Å; Y335-F423 HydrophobicContact CD2-CE2 3.74Å; Y335-F423 HydrophobicContact CE1-CB 4.43Å; Y335-F423 HydrophobicContact CE1-CD2 4.01Å; Y335-F423 AromaticContact CE2-CD2 3.79Å; Y335-F423 HydrophobicContact CE2-CD2 3.79Å; Y335-F423 AromaticContact CE2-CE2 3.93Å; Y335-F423 HydrophobicContact CE2-CE2 3.93Å; Y335-F423 AromaticContact CG-CD2 3.61Å; Y335-F423 HydrophobicContact CG-CD2 3.61Å; Y335-F423 HydrophobicContact CG-CE2 4.19Å; Y335-E426 HydrophobicContact CE1-CB 4.42Å; Y335-E426 VanDerWaalsContact CE1-OE2 3.28Å; Y335-E426 WeakPolarHBondContact CE1-OE2 3.49Å; Y335-E426 WeakPolarHBondContact OH-CB 3.1Å; Y335-E426 PolarHBondContact OH-OE2 2.92Å; Y335-N427 VanDerWaalsContact CE2-ND2 3.33Å; Y335-N427 WeakPolarHBondContact CE2-ND2 3.27Å; Y335-N427 VanDerWaalsContact CZ-ND2 3.33Å; Y335-N427 PolarHBondContact OH-ND2 2.82Å; Y335-N427 VanDerWaalsContact OH-ND2 3.11Å
336C73.4Confident78.6Confident4 Ų453 Ų533%0.02729%0.288CS..Hα-helixtrans-57.8-37.2173.1-67.50000112C21 R326 C332 W340C21-C336 HydrophobicContact CB-CB 4.41Å; C21-C336 WeakPolarHBondContact SG-CB 3.2Å; R326-C336 HydrophobicContact CG-CB 4.41Å; C332-C336 PolarHBondContact O-N 2.88Å; C332-C336 VanDerWaalsContact O-N 3.15Å; C332-C336 PolarHBondContact O-SG 3.47Å; C332-C336 VanDerWaalsContact O-SG 3.38Å; C336-W340 WeakPolarHBondContact O-CB 3.43Å; C336-W340 VanDerWaalsContact O-CD1 3.23Å; C336-W340 PolarHBondContact O-N 3.32Å
337A78.7Confident79.3Confident12 Ų1253.5 Ų53.510%0.09929%0.294CS..Hα-helixtrans-67.5-42.1175.400000112.7L13 A333 K334 Y335 W340 A341L13-A337 HydrophobicContact CD2-CB 4.23Å; A333-A337 PolarHBondContact O-N 2.72Å; K334-A337 PolarHBondContact O-N 3.22Å; Y335-A337 PolarHBondContact O-N 3.47Å; A337-W340 WeakPolarHBondContact O-CB 3.44Å; A337-W340 PolarHBondContact O-N 3.43Å; A337-A341 PolarHBondContact O-N 3.05Å
338A81.9Confident80Confident21 Ų2151 Ų5117%0.17429%0.289CS..Hα-helixtrans-63.5-45.7175.100000112.1K334 Y335 W340 A341 L342 E419K334-A338 PolarHBondContact O-N 2.82Å; Y335-A338 PolarHBondContact O-N 3.47Å; A338-W340 VanDerWaalsContact C-N 3.33Å; A338-W340 PolarHBondContact O-N 3.42Å; A338-A341 WeakPolarHBondContact O-CB 3.33Å; A338-A341 PolarHBondContact O-N 3.23Å; A338-A341 VanDerWaalsContact O-N 3.1Å; A338-L342 PolarHBondContact O-N 2.99Å; A338-E419 WeakPolarHBondContact CB-OE2 3.31Å
339L85.5Confident81Confident11 Ų1150.2 Ų50.26%0.05828%0.282CS..Hα-helixtrans-64.3-35.2175.3-67.9171.5000112.3W321 V322 F325 R326 L329 Y335 L342 E343W321-L339 HydrophobicContact CZ3-CD2 4.48Å; V322-L339 HydrophobicContact CG1-CB 4.04Å; V322-L339 HydrophobicContact CG1-CD2 4.18Å; V322-L339 VanDerWaalsContact CG1-O 3.22Å; V322-L339 WeakPolarHBondContact CG1-O 3.24Å; F325-L339 HydrophobicContact CD1-CD1 3.74Å; F325-L339 HydrophobicContact CD1-CD2 3.93Å; F325-L339 HydrophobicContact CE1-CD1 4.28Å; F325-L339 HydrophobicContact CE1-CD2 4.5Å; R326-L339 HydrophobicContact CB-CB 4.37Å; R326-L339 HydrophobicContact CB-CD1 3.98Å; L329-L339 HydrophobicContact CD1-CD1 3.81Å; Y335-L339 WeakPolarHBondContact O-CB 3.49Å; Y335-L339 WeakPolarHBondContact O-CG 3.27Å; Y335-L339 PolarHBondContact O-N 3.48Å; L339-L342 HydrophobicContact CD2-CD1 4.09Å; L339-L342 PolarHBondContact O-N 2.95Å; L339-E343 WeakPolarHBondContact O-CB 3.15Å; L339-E343 PolarHBondContact O-N 3.42Å
340W86.9Confident82.1Confident90 Ų9050.5 Ų50.534%0.34128%0.284SS..Hα-helixtrans-62.6-39.7170-99.9104.1000112.6R326 C336 A337 A338 K344R326-W340 VanDerWaalsContact NH1-CD2 3.3Å; R326-W340 VanDerWaalsContact NH1-CE2 3.29Å; C336-W340 WeakPolarHBondContact O-CB 3.43Å; C336-W340 VanDerWaalsContact O-CD1 3.23Å; C336-W340 PolarHBondContact O-N 3.32Å; A337-W340 WeakPolarHBondContact O-CB 3.44Å; A337-W340 PolarHBondContact O-N 3.43Å; A338-W340 VanDerWaalsContact C-N 3.33Å; A338-W340 PolarHBondContact O-N 3.42Å; W340-K344 WeakPolarHBondContact O-CB 3.35Å; W340-K344 PolarHBondContact O-N 3.47Å
341A88Confident83.5Confident46 Ų4650.1 Ų50.138%0.3828%0.282SS..Hα-helixtrans-68.3-38.9176.300000112A337 A338 K344 R345A337-A341 PolarHBondContact O-N 3.05Å; A338-A341 WeakPolarHBondContact O-CB 3.33Å; A338-A341 PolarHBondContact O-N 3.23Å; A338-A341 VanDerWaalsContact O-N 3.1Å; A341-K344 PolarHBondContact O-N 2.8Å; A341-R345 WeakPolarHBondContact O-CG 3.45Å; A341-R345 PolarHBondContact O-N 3.39Å; A341-R345 VanDerWaalsContact O-N 3.07Å
342L90.9Very high85.2Confident3 Ų351.4 Ų51.42%0.01627%0.269CS..Hα-helixtrans-63-49.9172.2-76.7170.1000112.3V322 A338 L339 K344 R345 L346 L416 E419V322-L342 HydrophobicContact CG2-CB 4.45Å; A338-L342 PolarHBondContact O-N 2.99Å; L339-L342 HydrophobicContact CD2-CD1 4.09Å; L339-L342 PolarHBondContact O-N 2.95Å; L342-K344 PolarHBondContact O-N 2.93Å; L342-R345 PolarHBondContact O-N 2.96Å; L342-R345 VanDerWaalsContact O-N 3.09Å; L342-L346 PolarHBondContact O-N 3.42Å; L342-L416 HydrophobicContact CD1-CD2 4.13Å; L342-L416 HydrophobicContact CD2-CD2 4.32Å; L342-E419 HydrophobicContact CD1-CB 3.72Å; L342-E419 HydrophobicContact CD1-CG 3.78Å; L342-E419 HydrophobicContact CD2-CG 4.16Å; L342-E419 HydrophobicContact CG-CG 4.08Å
343E93.2Very high86.5Confident16 Ų1650.3 Ų50.38%0.07526%0.261CS..Hα-helixtrans-54.1-45.2175.1177.5174.4-169.300110.2V322 R323 R326 L339 R345 L346 N347V322-E343 HydrophobicContact CG1-CB 3.94Å; R323-E343 IonicContact CZ-OE1 2.72Å; R323-E343 VanDerWaalsContact CZ-OE1 3.28Å; R323-E343 IonicContact NE-OE1 2.85Å; R323-E343 PolarHBondContact NE-OE1 3.34Å; R323-E343 IonicContact NH2-OE1 3.31Å; R323-E343 PolarHBondContact NH2-OE1 3.34Å; R326-E343 IonicContact CZ-OE2 3.9Å; R326-E343 IonicContact NH1-OE2 3.95Å; R326-E343 PolarHBondContact NH1-OE2 3.41Å; R326-E343 IonicContact NH2-OE2 3.14Å; R326-E343 PolarHBondContact NH2-OE2 2.92Å; L339-E343 WeakPolarHBondContact O-CB 3.15Å; L339-E343 PolarHBondContact O-N 3.42Å; E343-R345 PolarHBondContact O-N 3.43Å; E343-L346 PolarHBondContact O-N 3.01Å; E343-N347 VanDerWaalsContact CG-ND2 3.27Å; E343-N347 WeakPolarHBondContact CG-ND2 3.27Å; E343-N347 PolarHBondContact O-N 3.28Å; E343-N347 PolarHBondContact O-ND2 3.13Å
344K93.8Very high87.4Confident161 Ų16152.4 Ų52.470%0.726%0.264SS*.Hα-helixtrans-61.8-39.6178.5-171.3-179.7178.4-174.30112.9W340 A341 L342 S348W340-K344 WeakPolarHBondContact O-CB 3.35Å; W340-K344 PolarHBondContact O-N 3.47Å; A341-K344 PolarHBondContact O-N 2.8Å; L342-K344 PolarHBondContact O-N 2.93Å; K344-S348 WeakPolarHBondContact O-CB 3.46Å; K344-S348 PolarHBondContact O-N 3.31Å
345R93.6Very high88.2Confident117 Ų11748 Ų4844%0.44225%0.253SS..Hα-helixtrans-66-44.8175.8-70.8-178-167.5165.49.6111.8A341 L342 E343 S348 A349 M412 S415A341-R345 WeakPolarHBondContact O-CG 3.45Å; A341-R345 PolarHBondContact O-N 3.39Å; A341-R345 VanDerWaalsContact O-N 3.07Å; L342-R345 PolarHBondContact O-N 2.96Å; L342-R345 VanDerWaalsContact O-N 3.09Å; E343-R345 PolarHBondContact O-N 3.43Å; R345-S348 PolarHBondContact O-N 2.97Å; R345-A349 PolarHBondContact O-N 2.88Å; R345-M412 HydrophobicContact CB-CE 3.9Å; R345-M412 HydrophobicContact CB-SD 3.94Å; R345-S415 PolarHBondContact NH1-OG 3.38Å
346L94.9Very high89.2Confident1 Ų147.3 Ų47.31%0.00525%0.25CS..Hα-helixtrans-61.9-45.9178.4-71.3164000111.9F71 F315 A318 I319 V322 L342 E343 S348 A349 V350 M412F71-L346 HydrophobicContact CZ-CD2 4.48Å; F315-L346 HydrophobicContact CD1-CD2 3.77Å; F315-L346 HydrophobicContact CE1-CD2 3.92Å; A318-L346 HydrophobicContact CB-CD1 4.07Å; A318-L346 HydrophobicContact CB-CD2 3.94Å; I319-L346 HydrophobicContact CD1-CB 4.01Å; I319-L346 HydrophobicContact CG1-CB 3.46Å; I319-L346 VanDerWaalsContact CG1-CB 3.46Å; I319-L346 HydrophobicContact CG1-CD1 4.06Å; I319-L346 HydrophobicContact CG1-CG 4.33Å; V322-L346 HydrophobicContact CG2-CD1 3.87Å; L342-L346 PolarHBondContact O-N 3.42Å; E343-L346 PolarHBondContact O-N 3.01Å; L346-S348 VanDerWaalsContact C-N 3.35Å; L346-S348 PolarHBondContact O-N 3.22Å; L346-A349 PolarHBondContact O-N 3.05Å; L346-V350 PolarHBondContact O-N 3.49Å; L346-V350 VanDerWaalsContact O-N 3.13Å; L346-M412 HydrophobicContact CD2-CB 4.15Å; L346-M412 HydrophobicContact CD2-CG 3.73Å; L346-M412 HydrophobicContact CD2-SD 3.74Å; L346-M412 HydrophobicContact CG-SD 3.99Å
347N94.4Very high89.7Confident49 Ų4951.7 Ų51.726%0.26227%0.267SS..Hα-helixtrans-63.5-40.7175.1-72.9-95.6000111.1E343 A349 V350 D351E343-N347 VanDerWaalsContact CG-ND2 3.27Å; E343-N347 WeakPolarHBondContact CG-ND2 3.27Å; E343-N347 PolarHBondContact O-N 3.28Å; E343-N347 PolarHBondContact O-ND2 3.13Å; N347-A349 VanDerWaalsContact C-N 3.26Å; N347-A349 PolarHBondContact O-N 3.14Å; N347-V350 WeakPolarHBondContact O-CB 3.35Å; N347-V350 PolarHBondContact O-N 3Å; N347-V350 VanDerWaalsContact O-N 3.14Å; N347-D351 VanDerWaalsContact O-CG 3.28Å; N347-D351 PolarHBondContact O-N 3.42Å
348S94.7Very high90.1Very high68 Ų6854.8 Ų54.848%0.47629%0.286SS..Hα-helixtrans-62.5-30.8177.1-1710000113.5K344 R345 L346 E352K344-S348 WeakPolarHBondContact O-CB 3.46Å; K344-S348 PolarHBondContact O-N 3.31Å; R345-S348 PolarHBondContact O-N 2.97Å; L346-S348 VanDerWaalsContact C-N 3.35Å; L346-S348 PolarHBondContact O-N 3.22Å; S348-E352 WeakPolarHBondContact O-CB 3.31Å; S348-E352 PolarHBondContact O-N 3.07Å
349A95Very high90.5Very high1 Ų157.9 Ų57.91%0.00830%0.297CS..Hα-helixtrans-74.9-36.4174.900000111.8F311 F315 R345 L346 N347 E352 V353F311-A349 HydrophobicContact CZ-CB 4.25Å; F315-A349 HydrophobicContact CD1-CB 3.86Å; F315-A349 HydrophobicContact CE1-CB 3.44Å; F315-A349 VanDerWaalsContact CE1-CB 3.44Å; F315-A349 HydrophobicContact CZ-CB 4.39Å; R345-A349 PolarHBondContact O-N 2.88Å; L346-A349 PolarHBondContact O-N 3.05Å; N347-A349 VanDerWaalsContact C-N 3.26Å; N347-A349 PolarHBondContact O-N 3.14Å; A349-E352 PolarHBondContact O-N 3.24Å; A349-V353 PolarHBondContact O-N 3.25Å
350V93.3Very high90.7Very high25 Ų2557.4 Ų57.415%0.15230%0.295CS..Hα-helixtrans-62.2-49.5170.2170.90000110.6L312 F315 I319 L346 N347 E352 V353 D354L312-V350 HydrophobicContact CD2-CG1 3.84Å; F315-V350 HydrophobicContact CB-CG2 3.61Å; F315-V350 HydrophobicContact CD1-CG2 4.32Å; F315-V350 HydrophobicContact CG-CG2 4.32Å; I319-V350 HydrophobicContact CD1-CG2 4.2Å; L346-V350 PolarHBondContact O-N 3.49Å; L346-V350 VanDerWaalsContact O-N 3.13Å; N347-V350 WeakPolarHBondContact O-CB 3.35Å; N347-V350 PolarHBondContact O-N 3Å; N347-V350 VanDerWaalsContact O-N 3.14Å; V350-E352 PolarHBondContact O-N 3.02Å; V350-V353 WeakPolarHBondContact O-CG2 3.38Å; V350-V353 PolarHBondContact O-N 2.84Å; V350-D354 WeakPolarHBondContact O-CB 3.43Å; V350-D354 PolarHBondContact O-N 3Å
351D90.9Very high90.7Very high122 Ų12255.8 Ų55.865%0.65229%0.291SS*.Hα-helixtrans-58.2-33178.1-69-28.4000112.6N347N347-D351 VanDerWaalsContact O-CG 3.28Å; N347-D351 PolarHBondContact O-N 3.42Å
352E92Very high90.9Very high101 Ų10158.4 Ų58.447%0.47230%0.295SS..Hα-helixtrans-72.8-39.1178.4-173.2177.9173.200112.5S348 A349 V350 H408S348-E352 WeakPolarHBondContact O-CB 3.31Å; S348-E352 PolarHBondContact O-N 3.07Å; A349-E352 PolarHBondContact O-N 3.24Å; V350-E352 PolarHBondContact O-N 3.02Å; E352-H408 IonicContact OE2-CD2 3.69Å; E352-H408 IonicContact OE2-CE1 2.75Å; E352-H408 PolarHBondContact OE2-CE1 3.45Å; E352-H408 VanDerWaalsContact OE2-CE1 3.31Å; E352-H408 IonicContact OE2-NE2 3.24Å; E352-H408 PolarHBondContact OE2-NE2 2.77Å
353V90.6Very high91Very high0 Ų058.4 Ų58.40%030%0.295CS..Hα-helixtrans-85.5-23.5-177.9-58.20000113.7L308 F311 L312 A349 V350 G355 I356 M405L308-V353 HydrophobicContact CD1-CB 3.74Å; L308-V353 HydrophobicContact CD1-CG2 3.81Å; F311-V353 HydrophobicContact CD1-CB 4.37Å; F311-V353 HydrophobicContact CD1-CG1 4.12Å; F311-V353 HydrophobicContact CD1-CG2 3.55Å; F311-V353 HydrophobicContact CE1-CB 4.28Å; F311-V353 HydrophobicContact CE1-CG1 3.73Å; F311-V353 HydrophobicContact CE1-CG2 3.56Å; F311-V353 HydrophobicContact CZ-CG1 3.97Å; L312-V353 HydrophobicContact CD2-CG2 3.88Å; L312-V353 HydrophobicContact CG-CG2 4.48Å; A349-V353 PolarHBondContact O-N 3.25Å; V350-V353 WeakPolarHBondContact O-CG2 3.38Å; V350-V353 PolarHBondContact O-N 2.84Å; V353-G355 PolarHBondContact O-N 3.29Å; V353-I356 HydrophobicContact CB-CD1 3.86Å; V353-I356 HydrophobicContact CG1-CD1 4.09Å; V353-I356 WeakPolarHBondContact O-CB 3.27Å; V353-I356 VanDerWaalsContact O-CG1 3.29Å; V353-I356 WeakPolarHBondContact O-CG1 3.43Å; V353-I356 PolarHBondContact O-N 2.79Å; V353-M405 HydrophobicContact CG1-CG 3.97Å
354D84.4Confident90.9Very high108 Ų10858.8 Ų58.858%0.57830%0.296SS*.Hα-helixtrans-54.8-37.7-177.6-170.956.3000112.5V350 I356V350-D354 WeakPolarHBondContact O-CB 3.43Å; V350-D354 PolarHBondContact O-N 3Å; D354-I356 VanDerWaalsContact C-N 3.26Å; D354-I356 PolarHBondContact O-N 2.91Å
355G85.7Confident90.7Very high30 Ų3058.2 Ų58.231%0.30929%0.29SS..THydrogen-bonded Turntrans-69.6-12.9177.200000115.8V353 R357 C358 Q359V353-G355 PolarHBondContact O-N 3.29Å; G355-R357 PolarHBondContact O-N 2.83Å; G355-C358 PolarHBondContact O-N 3.48Å; G355-Q359 WeakPolarHBondContact O-CG 3.33Å; G355-Q359 PolarHBondContact O-N 3.47Å
356I90.5Very high90.7Very high7 Ų755.7 Ų55.74%0.03629%0.285CS..Hα-helixtrans-61.3-42.8-174-72.1173.3000111.7V304 L308 V353 D354 C358 Q359 M360 R401V304-I356 HydrophobicContact CG1-CG2 3.68Å; L308-I356 HydrophobicContact CD2-CB 4.26Å; L308-I356 HydrophobicContact CD2-CG2 4.26Å; V353-I356 HydrophobicContact CB-CD1 3.86Å; V353-I356 HydrophobicContact CG1-CD1 4.09Å; V353-I356 WeakPolarHBondContact O-CB 3.27Å; V353-I356 VanDerWaalsContact O-CG1 3.29Å; V353-I356 WeakPolarHBondContact O-CG1 3.43Å; V353-I356 PolarHBondContact O-N 2.79Å; D354-I356 VanDerWaalsContact C-N 3.26Å; D354-I356 PolarHBondContact O-N 2.91Å; I356-C358 PolarHBondContact O-N 3.16Å; I356-Q359 WeakPolarHBondContact O-CB 3.36Å; I356-Q359 PolarHBondContact O-N 3.23Å; I356-M360 HydrophobicContact CG2-CG 4.42Å; I356-M360 HydrophobicContact CG2-SD 3.71Å; I356-M360 WeakPolarHBondContact O-CG 3.35Å; I356-M360 PolarHBondContact O-N 3.07Å; I356-R401 HydrophobicContact CD1-CB 4.09Å; I356-R401 HydrophobicContact CD1-CG 4.05Å; I356-R401 HydrophobicContact CG1-CG 4.08Å; I356-R401 HydrophobicContact CG2-CG 4.35Å
357R84.2Confident90.5Very high97 Ų9755.7 Ų55.737%0.36629%0.285SS..Hα-helixtrans-61-45.7-179.5179.4176171.6151.82.4111.6N276 L308 G355 Q359 M360 E361N276-R357 PolarHBondContact O-NH1 3.16Å; L308-R357 HydrophobicContact CD2-CB 4.23Å; G355-R357 PolarHBondContact O-N 2.83Å; R357-Q359 VanDerWaalsContact C-N 3.29Å; R357-Q359 PolarHBondContact O-N 3.48Å; R357-M360 WeakPolarHBondContact O-CB 3.17Å; R357-M360 PolarHBondContact O-N 2.78Å; R357-M360 VanDerWaalsContact O-N 3.11Å; R357-E361 WeakPolarHBondContact CG-OE1 3.36Å; R357-E361 IonicContact CZ-OE1 3.52Å; R357-E361 IonicContact NE-OE1 3.83Å; R357-E361 PolarHBondContact NE-OE1 3.43Å; R357-E361 IonicContact NH2-OE1 3.47Å; R357-E361 WeakPolarHBondContact O-CG 3.29Å; R357-E361 PolarHBondContact O-N 3.38Å
358C87.1Confident90.3Very high76 Ų7654.8 Ų54.851%0.51428%0.281SS..Hα-helixtrans-59.5-38.2177.6-65.70000112.5G355 I356 E361 E362G355-C358 PolarHBondContact O-N 3.48Å; I356-C358 PolarHBondContact O-N 3.16Å; C358-E361 PolarHBondContact O-N 3.05Å; C358-E362 WeakPolarHBondContact O-CB 3.27Å; C358-E362 PolarHBondContact O-N 3.32Å
359Q91Very high90.2Very high86 Ų8657.1 Ų57.140%0.40228%0.284SS..Hα-helixtrans-68.9-37.3175.4-61.91697.700112.2G355 I356 R357 E362 Y363 R401G355-Q359 WeakPolarHBondContact O-CG 3.33Å; G355-Q359 PolarHBondContact O-N 3.47Å; I356-Q359 WeakPolarHBondContact O-CB 3.36Å; I356-Q359 PolarHBondContact O-N 3.23Å; R357-Q359 VanDerWaalsContact C-N 3.29Å; R357-Q359 PolarHBondContact O-N 3.48Å; Q359-E362 WeakPolarHBondContact O-CB 3.19Å; Q359-E362 PolarHBondContact O-N 3.48Å; Q359-Y363 PolarHBondContact O-N 3.43Å; Q359-Y363 VanDerWaalsContact O-N 3.16Å; Q359-R401 VanDerWaalsContact OE1-NE 3.11Å
360M89.7Confident90Very high1 Ų158.6 Ų58.61%0.00529%0.292CS..Hα-helixtrans-66.1-39.3174.1-70.316760.800111.6H301 V304 N305 I356 R357 E362 Y363 Y364H301-M360 HydrophobicContact CB-CE 3.77Å; H301-M360 VanDerWaalsContact O-CE 3.32Å; H301-M360 WeakPolarHBondContact O-CE 3.27Å; V304-M360 HydrophobicContact CB-CE 4.38Å; V304-M360 HydrophobicContact CB-SD 4.19Å; V304-M360 HydrophobicContact CG1-CE 4.33Å; V304-M360 HydrophobicContact CG1-SD 3.54Å; V304-M360 VanDerWaalsContact CG1-SD 3.54Å; N305-M360 HydrophobicContact CB-CE 4.2Å; I356-M360 HydrophobicContact CG2-CG 4.42Å; I356-M360 HydrophobicContact CG2-SD 3.71Å; I356-M360 WeakPolarHBondContact O-CG 3.35Å; I356-M360 PolarHBondContact O-N 3.07Å; R357-M360 WeakPolarHBondContact O-CB 3.17Å; R357-M360 PolarHBondContact O-N 2.78Å; R357-M360 VanDerWaalsContact O-N 3.11Å; M360-E362 VanDerWaalsContact C-N 3.34Å; M360-Y363 PolarHBondContact O-N 2.64Å; M360-Y364 WeakPolarHBondContact O-CD2 3.34Å; M360-Y364 WeakPolarHBondContact O-CE2 3.46Å
361E86.9Confident89.8Confident56 Ų5657.4 Ų57.426%0.26229%0.285SS..Hα-helixtrans-69.8-28173.8-70.8172.5-173.200112.8F278 R357 C358 R365F278-E361 HydrophobicContact CD2-CG 3.73Å; F278-E361 HydrophobicContact CE2-CG 3.6Å; F278-E361 HydrophobicContact CZ-CG 4.4Å; R357-E361 WeakPolarHBondContact CG-OE1 3.36Å; R357-E361 IonicContact CZ-OE1 3.52Å; R357-E361 IonicContact NE-OE1 3.83Å; R357-E361 PolarHBondContact NE-OE1 3.43Å; R357-E361 IonicContact NH2-OE1 3.47Å; R357-E361 WeakPolarHBondContact O-CG 3.29Å; R357-E361 PolarHBondContact O-N 3.38Å; C358-E361 PolarHBondContact O-N 3.05Å; E361-R365 PolarHBondContact O-N 2.96Å; E361-R365 PolarHBondContact O-NE 3.17Å
362E91.6Very high89.8Confident101 Ų10156.6 Ų56.647%0.47228%0.275SS..Hα-helixtrans-67.8-42172.4-173.2170.6-17400112.3C358 Q359 M360 Y364 R365 N366C358-E362 WeakPolarHBondContact O-CB 3.27Å; C358-E362 PolarHBondContact O-N 3.32Å; Q359-E362 WeakPolarHBondContact O-CB 3.19Å; Q359-E362 PolarHBondContact O-N 3.48Å; M360-E362 VanDerWaalsContact C-N 3.34Å; E362-Y364 PolarHBondContact O-N 2.89Å; E362-R365 PolarHBondContact O-N 3.35Å; E362-R365 VanDerWaalsContact O-N 3.16Å; E362-N366 VanDerWaalsContact O-CG 3.31Å; E362-N366 PolarHBondContact O-N 3.19Å
363Y93.6Very high89.7Confident4 Ų455.8 Ų55.82%0.01627%0.272CS..Hα-helixtrans-52.8-49.6173.7157.3-96.5000112.4V297 H301 Q359 M360 R365 N366 R367 L390 D391 Q394V297-Y363 HydrophobicContact CG1-CE1 3.85Å; V297-Y363 HydrophobicContact CG1-CE2 4.09Å; H301-Y363 AromaticContact CE1-CD1 3.56Å; H301-Y363 AromaticContact NE2-CD1 3.86Å; Q359-Y363 PolarHBondContact O-N 3.43Å; Q359-Y363 VanDerWaalsContact O-N 3.16Å; M360-Y363 PolarHBondContact O-N 2.64Å; Y363-R365 VanDerWaalsContact C-N 3.32Å; Y363-R365 PolarHBondContact O-N 3.48Å; Y363-N366 PolarHBondContact O-N 3.01Å; Y363-R367 WeakPolarHBondContact O-CB 3.48Å; Y363-R367 PolarHBondContact O-N 3.27Å; Y363-R367 WeakPolarHBondContact OH-CD 3.33Å; Y363-R367 PolarHBondContact OH-NE 2.93Å; Y363-L390 HydrophobicContact CD2-CD1 4.15Å; Y363-L390 HydrophobicContact CD2-CD2 4.31Å; Y363-L390 HydrophobicContact CD2-CG 3.87Å; Y363-L390 HydrophobicContact CE2-CG 4.1Å; Y363-D391 WeakPolarHBondContact CE2-OD1 3.48Å; Y363-D391 PolarHBondContact OH-OD1 3.2Å; Y363-D391 VanDerWaalsContact OH-OD1 3.13Å; Y363-Q394 HydrophobicContact CD1-CG 4.22Å; Y363-Q394 HydrophobicContact CD2-CB 3.55Å; Y363-Q394 HydrophobicContact CD2-CG 3.58Å; Y363-Q394 HydrophobicContact CE2-CB 3.87Å; Y363-Q394 HydrophobicContact CE2-CG 4.05Å; Y363-Q394 HydrophobicContact CG-CB 4.17Å; Y363-Q394 HydrophobicContact CG-CG 3.67Å
364Y90.2Very high89.5Confident23 Ų2356.9 Ų56.99%0.0928%0.276CS..Hα-helixtrans-65-35-180-67.7-77.3000112.9F278 A280 Q293 H301 M360 E362 T368F278-Y364 AromaticContact CE1-CD2 3.87Å; F278-Y364 HydrophobicContact CE1-CD2 3.87Å; F278-Y364 AromaticContact CE1-CE2 3.32Å; F278-Y364 HydrophobicContact CE1-CE2 3.32Å; F278-Y364 AromaticContact CZ-CD2 3.42Å; F278-Y364 HydrophobicContact CZ-CD2 3.42Å; F278-Y364 VanDerWaalsContact CZ-CD2 3.42Å; F278-Y364 AromaticContact CZ-CE2 3.4Å; F278-Y364 HydrophobicContact CZ-CE2 3.4Å; F278-Y364 HydrophobicContact CZ-CG 4.36Å; A280-Y364 HydrophobicContact CB-CE1 3.77Å; A280-Y364 HydrophobicContact CB-CE2 4.02Å; A280-Y364 VanDerWaalsContact CB-CZ 3.44Å; A280-Y364 WeakPolarHBondContact CB-OH 3.43Å; Q293-Y364 HydrophobicContact CG-CE1 4.33Å; H301-Y364 AromaticContact CE1-CE2 3.35Å; H301-Y364 WeakPolarHBondContact CE1-CE2 3.37Å; H301-Y364 AromaticContact CE1-CZ 3.78Å; H301-Y364 AromaticContact ND1-CE2 3.22Å; H301-Y364 WeakPolarHBondContact ND1-CE2 3.46Å; H301-Y364 AromaticContact ND1-CZ 3.54Å; H301-Y364 PolarHBondContact ND1-OH 3.14Å; H301-Y364 VanDerWaalsContact ND1-OH 3.09Å; M360-Y364 WeakPolarHBondContact O-CD2 3.34Å; M360-Y364 WeakPolarHBondContact O-CE2 3.46Å; E362-Y364 PolarHBondContact O-N 2.89Å; Y364-T368 VanDerWaalsContact O-CB 3.22Å; Y364-T368 WeakPolarHBondContact O-CB 3.2Å; Y364-T368 PolarHBondContact O-N 3.16Å; Y364-T368 PolarHBondContact O-OG1 2.98Å
365R90Very high89.5Confident150 Ų15054 Ų5457%0.56626%0.264SS*.Hα-helixtrans-65-46.2174.8-75.2177.3-74.5179.80.7111E361 E362 Y363 T368 Q369E361-R365 PolarHBondContact O-N 2.96Å; E361-R365 PolarHBondContact O-NE 3.17Å; E362-R365 PolarHBondContact O-N 3.35Å; E362-R365 VanDerWaalsContact O-N 3.16Å; Y363-R365 VanDerWaalsContact C-N 3.32Å; Y363-R365 PolarHBondContact O-N 3.48Å; R365-T368 PolarHBondContact O-N 3.37Å; R365-Q369 WeakPolarHBondContact O-CB 3.49Å; R365-Q369 PolarHBondContact O-N 3.24Å
366N93.2Very high89.6Confident64 Ų6460.9 Ų60.934%0.34229%0.285SS..Hα-helixtrans-64-44.8178.4-66.7-10.9000111.3E362 Y363 Q369 L370 L390E362-N366 VanDerWaalsContact O-CG 3.31Å; E362-N366 PolarHBondContact O-N 3.19Å; Y363-N366 PolarHBondContact O-N 3.01Å; N366-Q369 WeakPolarHBondContact O-CB 3.48Å; N366-Q369 PolarHBondContact O-N 3.49Å; N366-Q369 VanDerWaalsContact O-N 3.15Å; N366-L370 PolarHBondContact O-N 3.33Å; N366-L390 HydrophobicContact CB-CD1 4.28Å; N366-L390 HydrophobicContact CB-CD2 3.87Å
367R91.9Very high89.4Confident0 Ų062.7 Ų62.70%030%0.298CS..Hα-helixtrans-63.5-45.1177.7-163.1173-167.7-84.7-5.5111.7I284 S292 Q293 Y363 Q369 L370 L371 L390 D391I284-R367 HydrophobicContact CD1-CG 4.36Å; S292-R367 PolarHBondContact O-NH1 2.74Å; S292-R367 PolarHBondContact O-NH2 2.87Å; Q293-R367 VanDerWaalsContact OE1-NH1 3.17Å; Y363-R367 WeakPolarHBondContact O-CB 3.48Å; Y363-R367 PolarHBondContact O-N 3.27Å; Y363-R367 WeakPolarHBondContact OH-CD 3.33Å; Y363-R367 PolarHBondContact OH-NE 2.93Å; R367-Q369 VanDerWaalsContact C-N 3.27Å; R367-Q369 PolarHBondContact O-N 3.4Å; R367-L370 PolarHBondContact O-N 3.15Å; R367-L371 HydrophobicContact CG-CD1 4.5Å; R367-L371 WeakPolarHBondContact O-CG 3.32Å; R367-L371 PolarHBondContact O-N 3.22Å; R367-L390 HydrophobicContact CB-CD2 3.7Å; R367-L390 HydrophobicContact CG-CD2 4.3Å; R367-L390 VanDerWaalsContact N-CD2 3.34Å; R367-D391 VanDerWaalsContact CD-OD1 3.3Å; R367-D391 WeakPolarHBondContact CD-OD1 3.24Å; R367-D391 IonicContact CZ-OD1 3.76Å; R367-D391 IonicContact CZ-OD2 3.14Å; R367-D391 IonicContact NE-OD1 2.8Å; R367-D391 PolarHBondContact NE-OD1 3.05Å; R367-D391 IonicContact NE-OD2 3.58Å; R367-D391 PolarHBondContact NE-OD2 3.4Å; R367-D391 IonicContact NH2-OD2 2.67Å; R367-D391 PolarHBondContact NH2-OD2 3.24Å
368T89.8Confident89.2Confident31 Ų3162.4 Ų62.419%0.1931%0.307CS..Hα-helixtrans-59.8-37.1173.5-58.10000111.9I284 Y364 R365 K372I284-T368 HydrophobicContact CG2-CG2 4.02Å; Y364-T368 VanDerWaalsContact O-CB 3.22Å; Y364-T368 WeakPolarHBondContact O-CB 3.2Å; Y364-T368 PolarHBondContact O-N 3.16Å; Y364-T368 PolarHBondContact O-OG1 2.98Å; R365-T368 PolarHBondContact O-N 3.37Å; T368-K372 HydrophobicContact CG2-CD 4.11Å; T368-K372 WeakPolarHBondContact O-CB 3.48Å; T368-K372 VanDerWaalsContact O-CG 3.25Å; T368-K372 WeakPolarHBondContact O-CG 3.43Å; T368-K372 PolarHBondContact O-N 3.3Å
369Q92.1Very high88.8Confident116 Ų11665.9 Ų65.954%0.54232%0.315SS..Hα-helixtrans-68.7-42.3177.2-179.2172-24.600112.2R365 N366 R367 K372 Q373R365-Q369 WeakPolarHBondContact O-CB 3.49Å; R365-Q369 PolarHBondContact O-N 3.24Å; N366-Q369 WeakPolarHBondContact O-CB 3.48Å; N366-Q369 PolarHBondContact O-N 3.49Å; N366-Q369 VanDerWaalsContact O-N 3.15Å; R367-Q369 VanDerWaalsContact C-N 3.27Å; R367-Q369 PolarHBondContact O-N 3.4Å; Q369-K372 PolarHBondContact O-N 3.09Å; Q369-Q373 WeakPolarHBondContact O-CG 3.17Å; Q369-Q373 PolarHBondContact O-N 3.04Å; Q369-Q373 VanDerWaalsContact O-N 3.08Å
370L92.2Very high88.5Confident32 Ų3264.7 Ų64.717%0.16831%0.311CS..Hα-helixtrans-62.4-47174.6-70.4173.2000111.5N366 R367 K372 Q373 Y374 A386 V387 L390N366-L370 PolarHBondContact O-N 3.33Å; R367-L370 PolarHBondContact O-N 3.15Å; L370-K372 VanDerWaalsContact C-N 3.32Å; L370-K372 PolarHBondContact O-N 3.44Å; L370-Q373 WeakPolarHBondContact O-CA 3.41Å; L370-Q373 WeakPolarHBondContact O-CB 3.47Å; L370-Q373 PolarHBondContact O-N 3.5Å; L370-Y374 PolarHBondContact O-N 3.36Å; L370-A386 HydrophobicContact CD1-CB 4.11Å; L370-A386 HydrophobicContact CD2-CB 3.93Å; L370-V387 HydrophobicContact CB-CG2 3.71Å; L370-V387 HydrophobicContact CD1-CG2 3.94Å; L370-V387 HydrophobicContact CG-CG2 4.47Å; L370-L390 HydrophobicContact CD1-CB 4.33Å; L370-L390 HydrophobicContact CD1-CD2 3.85Å
371L89Confident88.3Confident0 Ų069.4 Ų69.40%034%0.34CS..Hα-helixtrans-61-39.3175.7-67.2172000112.1M100 I284 I286 F291 R367 Q373 Y374 C375M100-L371 HydrophobicContact CE-CD2 4.43Å; M100-L371 HydrophobicContact CG-CD2 3.7Å; M100-L371 HydrophobicContact SD-CD2 4.49Å; I284-L371 HydrophobicContact CB-CD1 4.27Å; I284-L371 HydrophobicContact CD1-CD1 3.61Å; I284-L371 HydrophobicContact CG1-CD1 4.44Å; I284-L371 HydrophobicContact CG2-CD1 4.44Å; I286-L371 HydrophobicContact CD1-CB 3.35Å; I286-L371 HydrophobicContact CD1-CD1 4.33Å; I286-L371 HydrophobicContact CD1-CG 4.49Å; F291-L371 HydrophobicContact CB-CD1 3.84Å; F291-L371 HydrophobicContact CB-CD2 4.4Å; F291-L371 HydrophobicContact CD1-CD2 3.98Å; F291-L371 HydrophobicContact CD2-CD1 4.47Å; F291-L371 HydrophobicContact CE1-CD2 4.5Å; F291-L371 HydrophobicContact CG-CD1 4.12Å; F291-L371 HydrophobicContact CG-CD2 4.14Å; R367-L371 HydrophobicContact CG-CD1 4.5Å; R367-L371 WeakPolarHBondContact O-CG 3.32Å; R367-L371 PolarHBondContact O-N 3.22Å; L371-Q373 VanDerWaalsContact C-N 3.25Å; L371-Q373 PolarHBondContact O-N 2.97Å; L371-Y374 WeakPolarHBondContact O-CB 3.49Å; L371-Y374 PolarHBondContact O-N 2.67Å; L371-Y374 VanDerWaalsContact O-N 3.14Å; L371-C375 PolarHBondContact O-N 3.42Å; L371-C375 PolarHBondContact O-SG 2.89Å
372K90Very high88.4Confident105 Ų10572.7 Ų72.746%0.45736%0.359SS..Hα-helixtrans-64.1-26.5173.4-79.5174.1-179.1174.70113.7I286 T368 Q369 L370 K376I286-K372 HydrophobicContact CD1-CG 3.92Å; I286-K372 HydrophobicContact CG1-CG 4.2Å; I286-K372 HydrophobicContact CG2-CG 3.77Å; T368-K372 HydrophobicContact CG2-CD 4.11Å; T368-K372 WeakPolarHBondContact O-CB 3.48Å; T368-K372 VanDerWaalsContact O-CG 3.25Å; T368-K372 WeakPolarHBondContact O-CG 3.43Å; T368-K372 PolarHBondContact O-N 3.3Å; Q369-K372 PolarHBondContact O-N 3.09Å; L370-K372 VanDerWaalsContact C-N 3.32Å; L370-K372 PolarHBondContact O-N 3.44Å; K372-K376 WeakPolarHBondContact O-CG 3.38Å
373Q90.3Very high88.3Confident84 Ų8468.8 Ų68.839%0.39334%0.341SS..Hα-helixtrans-78-41.9170.8-69.6172.9-8.600110.6Q369 L370 L371 C375 K376 C377 L383Q369-Q373 WeakPolarHBondContact O-CG 3.17Å; Q369-Q373 PolarHBondContact O-N 3.04Å; Q369-Q373 VanDerWaalsContact O-N 3.08Å; L370-Q373 WeakPolarHBondContact O-CA 3.41Å; L370-Q373 WeakPolarHBondContact O-CB 3.47Å; L370-Q373 PolarHBondContact O-N 3.5Å; L371-Q373 VanDerWaalsContact C-N 3.25Å; L371-Q373 PolarHBondContact O-N 2.97Å; Q373-C375 PolarHBondContact O-N 3.01Å; Q373-K376 WeakPolarHBondContact O-CB 3.27Å; Q373-K376 PolarHBondContact O-N 2.93Å; Q373-C377 PolarHBondContact O-N 3.1Å; Q373-L383 HydrophobicContact CB-CD1 4.24Å; Q373-L383 HydrophobicContact CB-CD2 4.12Å
374Y86.9Confident87.9Confident24 Ų2469.2 Ų69.29%0.09434%0.344CS..Hα-helixtrans-59.9-46177.7-179.5-110.5000112.4M100 F291 L370 L371 K376 C377 V378 L383 V384M100-Y374 HydrophobicContact CB-CD1 4.36Å; M100-Y374 HydrophobicContact CB-CE1 4.02Å; M100-Y374 HydrophobicContact CE-CD1 3.59Å; M100-Y374 HydrophobicContact CE-CD2 3.37Å; M100-Y374 HydrophobicContact CE-CE1 4.05Å; M100-Y374 HydrophobicContact CE-CE2 3.85Å; M100-Y374 HydrophobicContact CE-CG 3.21Å; M100-Y374 VanDerWaalsContact O-CE1 3.22Å; M100-Y374 WeakPolarHBondContact O-CE1 3.33Å; F291-Y374 HydrophobicContact CE1-CD1 4.48Å; L370-Y374 PolarHBondContact O-N 3.36Å; L371-Y374 WeakPolarHBondContact O-CB 3.49Å; L371-Y374 PolarHBondContact O-N 2.67Å; L371-Y374 VanDerWaalsContact O-N 3.14Å; Y374-K376 PolarHBondContact O-N 3.02Å; Y374-C377 CarbonylContact O-C 3.38Å; Y374-C377 VanDerWaalsContact O-C 3.31Å; Y374-C377 PolarHBondContact O-N 2.87Å; Y374-V378 HydrophobicContact CD1-CG1 4.28Å; Y374-V378 HydrophobicContact CD2-CG1 4.47Å; Y374-V378 HydrophobicContact CE1-CG1 4.01Å; Y374-V378 HydrophobicContact CE2-CB 4.17Å; Y374-V378 HydrophobicContact CE2-CG1 4.21Å; Y374-V378 WeakPolarHBondContact O-CA 3.24Å; Y374-V378 WeakPolarHBondContact O-CG1 3.41Å; Y374-V378 PolarHBondContact O-N 3.41Å; Y374-L383 HydrophobicContact CD2-CB 4.29Å; Y374-L383 HydrophobicContact CD2-CD1 4.49Å; Y374-V384 HydrophobicContact CE2-CG2 4.21Å
375C84.8Confident87.9Confident47 Ų4771.3 Ų71.332%0.31836%0.362SS..THydrogen-bonded Turntrans-54.2-25.4174.3-66.30000114.2F291 L371 Q373F291-C375 WeakPolarHBondContact CZ-SG 3.42Å; L371-C375 PolarHBondContact O-N 3.42Å; L371-C375 PolarHBondContact O-SG 2.89Å; Q373-C375 PolarHBondContact O-N 3.01Å
376K86.9Confident88.1Confident175 Ų17565.8 Ų65.876%0.76135%0.348SS*.THydrogen-bonded Turntrans-91.1-27.7177.6-62.2175.9-177.4-176.30112.7K372 Q373 Y374K372-K376 WeakPolarHBondContact O-CG 3.38Å; Q373-K376 WeakPolarHBondContact O-CB 3.27Å; Q373-K376 PolarHBondContact O-N 2.93Å; Y374-K376 PolarHBondContact O-N 3.02Å
377C85.4Confident88Confident44 Ų4462.8 Ų62.830%0.29733%0.332SS..  trans-138.749.5-167.8-60.60000112.2Q373 Y374 H379 I380 L383Q373-C377 PolarHBondContact O-N 3.1Å; Y374-C377 CarbonylContact O-C 3.38Å; Y374-C377 VanDerWaalsContact O-C 3.31Å; Y374-C377 PolarHBondContact O-N 2.87Å; C377-H379 PolarHBondContact O-N 2.76Å; C377-I380 HydrophobicContact CB-CD1 3.62Å; C377-I380 HydrophobicContact CB-CG1 3.98Å; C377-I380 PolarHBondContact O-N 3.31Å; C377-L383 HydrophobicContact CB-CD1 4.28Å
378V80.8Confident88.1Confident91 Ų9164.9 Ų64.955%0.55234%0.34SS*.THydrogen-bonded Turntrans-55.4-13.5-175.4-71.90000116Y374Y374-V378 HydrophobicContact CD1-CG1 4.28Å; Y374-V378 HydrophobicContact CD2-CG1 4.47Å; Y374-V378 HydrophobicContact CE1-CG1 4.01Å; Y374-V378 HydrophobicContact CE2-CB 4.17Å; Y374-V378 HydrophobicContact CE2-CG1 4.21Å; Y374-V378 WeakPolarHBondContact O-CA 3.24Å; Y374-V378 WeakPolarHBondContact O-CG1 3.41Å; Y374-V378 PolarHBondContact O-N 3.41Å
379H79.6Confident88.3Confident149 Ų14968.1 Ų68.169%0.6935%0.353SS*.THydrogen-bonded Turntrans-86.3-5.7176.357.6-90.8000113.9C377 V381C377-H379 PolarHBondContact O-N 2.76Å; H379-V381 PolarHBondContact O-N 2.94Å
380I84Confident88.5Confident61 Ų6164 Ų6431%0.31334%0.335SS..  trans-91.196.2-179.9-56.9-177.9000109.3C377 D382 L383C377-I380 HydrophobicContact CB-CD1 3.62Å; C377-I380 HydrophobicContact CB-CG1 3.98Å; C377-I380 PolarHBondContact O-N 3.31Å; I380-D382 HydrophobicContact CG2-CB 3.99Å; I380-D382 PolarHBondContact O-N 2.81Å; I380-L383 HydrophobicContact CB-CD1 4.02Å; I380-L383 HydrophobicContact CB-CG 4.17Å; I380-L383 HydrophobicContact CG2-CD1 4.35Å; I380-L383 HydrophobicContact CG2-CG 4Å; I380-L383 WeakPolarHBondContact O-CB 3.5Å; I380-L383 PolarHBondContact O-N 2.93Å; I380-L383 VanDerWaalsContact O-N 3.09Å
381V85Confident88.6Confident101 Ų10162.6 Ų62.661%0.61233%0.327SS*.THydrogen-bonded Turntrans-58.9-30.4178.5-177.80000112.1H379 L383 V384 C385H379-V381 PolarHBondContact O-N 2.94Å; V381-L383 PolarHBondContact O-N 3.28Å; V381-V384 WeakPolarHBondContact O-CA 3.42Å; V381-V384 WeakPolarHBondContact O-CB 3.5Å; V381-V384 PolarHBondContact O-N 3Å; V381-C385 PolarHBondContact O-N 2.91Å; V381-C385 VanDerWaalsContact O-N 3.16Å
382D89Confident88.8Confident124 Ų12462.7 Ų62.766%0.66333%0.328SS*.Hα-helixtrans-57.5-24.6176.6-60.3-28.9000113I380 A386I380-D382 HydrophobicContact CG2-CB 3.99Å; I380-D382 PolarHBondContact O-N 2.81Å; D382-A386 VanDerWaalsContact O-CB 3.29Å; D382-A386 WeakPolarHBondContact O-CB 3.33Å; D382-A386 PolarHBondContact O-N 2.89Å
383L89Confident89.1Confident20 Ų2062 Ų6211%0.10533%0.329CS..Hα-helixtrans-72-32.7174.6-64.8173.7000112.2M100 Q373 Y374 C377 I380 V381 A386 V387M100-L383 HydrophobicContact CE-CB 4.49Å; Q373-L383 HydrophobicContact CB-CD1 4.24Å; Q373-L383 HydrophobicContact CB-CD2 4.12Å; Y374-L383 HydrophobicContact CD2-CB 4.29Å; Y374-L383 HydrophobicContact CD2-CD1 4.49Å; C377-L383 HydrophobicContact CB-CD1 4.28Å; I380-L383 HydrophobicContact CB-CD1 4.02Å; I380-L383 HydrophobicContact CB-CG 4.17Å; I380-L383 HydrophobicContact CG2-CD1 4.35Å; I380-L383 HydrophobicContact CG2-CG 4Å; I380-L383 WeakPolarHBondContact O-CB 3.5Å; I380-L383 PolarHBondContact O-N 2.93Å; I380-L383 VanDerWaalsContact O-N 3.09Å; V381-L383 PolarHBondContact O-N 3.28Å; L383-A386 PolarHBondContact O-N 3.08Å; L383-V387 WeakPolarHBondContact O-CG2 3.49Å; L383-V387 PolarHBondContact O-N 3.37Å
384V86.6Confident89.3Confident13 Ų1358.7 Ų58.78%0.07931%0.314CS..Hα-helixtrans-68.1-47172.6-177.10000109.9A96 D97 M100 Y374 V381 A386 V387 Y388A96-V384 HydrophobicContact CB-CG1 4.27Å; D97-V384 HydrophobicContact CB-CG1 3.79Å; M100-V384 HydrophobicContact CE-CG2 3.92Å; M100-V384 HydrophobicContact SD-CB 4.19Å; M100-V384 HydrophobicContact SD-CG1 4.29Å; M100-V384 HydrophobicContact SD-CG2 4.04Å; Y374-V384 HydrophobicContact CE2-CG2 4.21Å; V381-V384 WeakPolarHBondContact O-CA 3.42Å; V381-V384 WeakPolarHBondContact O-CB 3.5Å; V381-V384 PolarHBondContact O-N 3Å; V384-A386 VanDerWaalsContact C-N 3.26Å; V384-A386 PolarHBondContact O-N 3.35Å; V384-V387 PolarHBondContact O-N 3.5Å; V384-Y388 PolarHBondContact O-N 3Å
385C89.8Confident89.6Confident67 Ų6757.6 Ų57.645%0.45331%0.309SS..Hα-helixtrans-59.1-37173.6-59.80000112.4V381 Q389V381-C385 PolarHBondContact O-N 2.91Å; V381-C385 VanDerWaalsContact O-N 3.16Å; C385-Q389 WeakPolarHBondContact O-CB 3.44Å; C385-Q389 PolarHBondContact O-N 3.27Å
386A93.3Very high90Very high34 Ų3459.1 Ų59.128%0.28131%0.312SS..Hα-helixtrans-68.7-38.4177.200000113.1L370 D382 L383 V384 L390L370-A386 HydrophobicContact CD1-CB 4.11Å; L370-A386 HydrophobicContact CD2-CB 3.93Å; D382-A386 VanDerWaalsContact O-CB 3.29Å; D382-A386 WeakPolarHBondContact O-CB 3.33Å; D382-A386 PolarHBondContact O-N 2.89Å; L383-A386 PolarHBondContact O-N 3.08Å; V384-A386 VanDerWaalsContact C-N 3.26Å; V384-A386 PolarHBondContact O-N 3.35Å; A386-L390 WeakPolarHBondContact O-CB 3.42Å; A386-L390 PolarHBondContact O-N 2.76Å
387V91.9Very high90.4Very high0 Ų052 Ų520%029%0.286CS..Hα-helixtrans-68.9-44173.9171.30000110.7M100 L370 L383 V384 Q389 L390 D391M100-V387 HydrophobicContact CE-CG2 4.17Å; M100-V387 HydrophobicContact CG-CG1 4.32Å; M100-V387 HydrophobicContact SD-CB 3.54Å; M100-V387 VanDerWaalsContact SD-CB 3.54Å; M100-V387 HydrophobicContact SD-CG1 3.94Å; M100-V387 HydrophobicContact SD-CG2 3.55Å; M100-V387 VanDerWaalsContact SD-CG2 3.55Å; L370-V387 HydrophobicContact CB-CG2 3.71Å; L370-V387 HydrophobicContact CD1-CG2 3.94Å; L370-V387 HydrophobicContact CG-CG2 4.47Å; L383-V387 WeakPolarHBondContact O-CG2 3.49Å; L383-V387 PolarHBondContact O-N 3.37Å; V384-V387 PolarHBondContact O-N 3.5Å; V387-Q389 PolarHBondContact O-N 3.07Å; V387-L390 PolarHBondContact O-N 3.15Å; V387-D391 WeakPolarHBondContact O-CB 3.27Å; V387-D391 VanDerWaalsContact O-CG 3.29Å; V387-D391 PolarHBondContact O-N 3.17Å
388Y92.8Very high90.7Very high45 Ų4550 Ų5018%0.17627%0.272CS..Hα-helixtrans-54.2-50.5172.6171-103.2000111.7M89 F91 D92 P93 A96 V384 L390 D391 A392M89-Y388 WeakPolarHBondContact CE-OH 3.49Å; F91-Y388 HydrophobicContact CD2-CD2 4.24Å; F91-Y388 AromaticContact CD2-CE2 3.98Å; F91-Y388 HydrophobicContact CD2-CE2 3.98Å; F91-Y388 HydrophobicContact CE2-CD2 4.31Å; F91-Y388 HydrophobicContact CE2-CE2 4.1Å; D92-Y388 WeakPolarHBondContact O-CD2 3.47Å; P93-Y388 HydrophobicContact CB-CD2 4.34Å; P93-Y388 HydrophobicContact CB-CG 4.28Å; P93-Y388 HydrophobicContact CG-CD1 4.09Å; P93-Y388 HydrophobicContact CG-CD2 4.15Å; P93-Y388 HydrophobicContact CG-CE1 3.96Å; P93-Y388 HydrophobicContact CG-CE2 4.03Å; P93-Y388 HydrophobicContact CG-CG 4.18Å; A96-Y388 HydrophobicContact CB-CD2 4.41Å; A96-Y388 HydrophobicContact CB-CG 4.49Å; V384-Y388 PolarHBondContact O-N 3Å; Y388-L390 VanDerWaalsContact C-N 3.33Å; Y388-L390 PolarHBondContact O-N 3.23Å; Y388-D391 PolarHBondContact O-N 3.45Å; Y388-A392 VanDerWaalsContact O-CB 3.23Å; Y388-A392 WeakPolarHBondContact O-CB 3.22Å; Y388-A392 PolarHBondContact O-N 3.26Å
389Q95.3Very high91.3Very high98 Ų9846 Ų4646%0.45825%0.248SC..Hα-helixtrans-64.8-37.3-178.8-170.763.751.600112C385 V387 A392 D393C385-Q389 WeakPolarHBondContact O-CB 3.44Å; C385-Q389 PolarHBondContact O-N 3.27Å; V387-Q389 PolarHBondContact O-N 3.07Å; Q389-A392 WeakPolarHBondContact O-CB 3.31Å; Q389-A392 PolarHBondContact O-N 3.42Å; Q389-D393 PolarHBondContact NE2-OD1 3.4Å; Q389-D393 WeakPolarHBondContact O-CB 3.49Å; Q389-D393 PolarHBondContact O-N 2.72Å
390L95.7Very high92Very high31 Ų3144.9 Ų44.916%0.16224%0.241CC..Hα-helixtrans-65.6-42.9176179.664.5000112.1Y363 N366 R367 L370 A386 V387 Y388 Q394Y363-L390 HydrophobicContact CD2-CD1 4.15Å; Y363-L390 HydrophobicContact CD2-CD2 4.31Å; Y363-L390 HydrophobicContact CD2-CG 3.87Å; Y363-L390 HydrophobicContact CE2-CG 4.1Å; N366-L390 HydrophobicContact CB-CD1 4.28Å; N366-L390 HydrophobicContact CB-CD2 3.87Å; R367-L390 HydrophobicContact CB-CD2 3.7Å; R367-L390 HydrophobicContact CG-CD2 4.3Å; R367-L390 VanDerWaalsContact N-CD2 3.34Å; L370-L390 HydrophobicContact CD1-CB 4.33Å; L370-L390 HydrophobicContact CD1-CD2 3.85Å; A386-L390 WeakPolarHBondContact O-CB 3.42Å; A386-L390 PolarHBondContact O-N 2.76Å; V387-L390 PolarHBondContact O-N 3.15Å; Y388-L390 VanDerWaalsContact C-N 3.33Å; Y388-L390 PolarHBondContact O-N 3.23Å; L390-Q394 WeakPolarHBondContact O-CB 3.08Å; L390-Q394 PolarHBondContact O-N 3.09Å; L390-Q394 VanDerWaalsContact O-N 3.08Å
391D93.6Very high92.5Very high2 Ų242.8 Ų42.81%0.01123%0.23CC..Hα-helixtrans-66.9-39.2177.3-67.4-2.1000110.2F91 N294 V297 Y363 R367 V387 Y388 Y395F91-D391 HydrophobicContact CE2-CB 4.23Å; F91-D391 HydrophobicContact CZ-CB 4.31Å; N294-D391 HydrophobicContact CB-CB 4.22Å; N294-D391 WeakPolarHBondContact CB-OD2 3.46Å; V297-D391 HydrophobicContact CG2-CB 4.16Å; V297-D391 WeakPolarHBondContact CG2-O 3.45Å; Y363-D391 WeakPolarHBondContact CE2-OD1 3.48Å; Y363-D391 PolarHBondContact OH-OD1 3.2Å; Y363-D391 VanDerWaalsContact OH-OD1 3.13Å; R367-D391 VanDerWaalsContact CD-OD1 3.3Å; R367-D391 WeakPolarHBondContact CD-OD1 3.24Å; R367-D391 IonicContact CZ-OD1 3.76Å; R367-D391 IonicContact CZ-OD2 3.14Å; R367-D391 IonicContact NE-OD1 2.8Å; R367-D391 PolarHBondContact NE-OD1 3.05Å; R367-D391 IonicContact NE-OD2 3.58Å; R367-D391 PolarHBondContact NE-OD2 3.4Å; R367-D391 IonicContact NH2-OD2 2.67Å; R367-D391 PolarHBondContact NH2-OD2 3.24Å; V387-D391 WeakPolarHBondContact O-CB 3.27Å; V387-D391 VanDerWaalsContact O-CG 3.29Å; V387-D391 PolarHBondContact O-N 3.17Å; Y388-D391 PolarHBondContact O-N 3.45Å; D391-Y395 WeakPolarHBondContact O-CB 3.32Å; D391-Y395 PolarHBondContact O-N 2.8Å
392A93.9Very high92.9Very high2 Ų238 Ų382%0.01720%0.2CC..Hα-helixtrans-61.2-53.9174.100000113.4M89 F91 Y388 Q389 Q394 Y395 H396M89-A392 HydrophobicContact CE-CB 4Å; M89-A392 WeakPolarHBondContact SD-CA 3.4Å; M89-A392 HydrophobicContact SD-CB 3.22Å; M89-A392 WeakPolarHBondContact SD-CB 3.43Å; F91-A392 HydrophobicContact CE2-CB 4.48Å; Y388-A392 VanDerWaalsContact O-CB 3.23Å; Y388-A392 WeakPolarHBondContact O-CB 3.22Å; Y388-A392 PolarHBondContact O-N 3.26Å; Q389-A392 WeakPolarHBondContact O-CB 3.31Å; Q389-A392 PolarHBondContact O-N 3.42Å; A392-Q394 VanDerWaalsContact C-N 3.26Å; A392-Q394 PolarHBondContact O-N 3.45Å; A392-Y395 WeakPolarHBondContact O-CB 3.3Å; A392-Y395 PolarHBondContact O-N 3.19Å; A392-H396 PolarHBondContact O-CD2 3.11Å; A392-H396 VanDerWaalsContact O-CD2 3.25Å; A392-H396 PolarHBondContact O-N 3.47Å; A392-H396 VanDerWaalsContact O-N 3.12Å
393D95.4Very high93.2Very high89 Ų8936.4 Ų36.448%0.47619%0.185SC..Hα-helixtrans-59.9-39.9179.2-72.1-15000110.7Q389 H396 A397Q389-D393 PolarHBondContact NE2-OD1 3.4Å; Q389-D393 WeakPolarHBondContact O-CB 3.49Å; Q389-D393 PolarHBondContact O-N 2.72Å; D393-H396 PolarHBondContact O-N 2.82Å; D393-A397 VanDerWaalsContact O-CB 3.29Å; D393-A397 WeakPolarHBondContact O-CB 3.2Å; D393-A397 PolarHBondContact O-N 2.94Å
394Q94.7Very high93.4Very high15 Ų1536.9 Ų36.97%0.0719%0.187CC..Hα-helixtrans-72.6-36.4179.2-173.167.2-11.400113.1V297 H301 Y363 L390 A392 A397 C398 R401V297-Q394 HydrophobicContact CG1-CB 4.15Å; V297-Q394 HydrophobicContact CG1-CG 3.68Å; H301-Q394 PolarHBondContact CE1-NE2 3.08Å; H301-Q394 VanDerWaalsContact CE1-NE2 3.26Å; H301-Q394 VanDerWaalsContact NE2-CG 3.31Å; H301-Q394 WeakPolarHBondContact NE2-CG 3.25Å; H301-Q394 PolarHBondContact NE2-NE2 3.39Å; Y363-Q394 HydrophobicContact CD1-CG 4.22Å; Y363-Q394 HydrophobicContact CD2-CB 3.55Å; Y363-Q394 HydrophobicContact CD2-CG 3.58Å; Y363-Q394 HydrophobicContact CE2-CB 3.87Å; Y363-Q394 HydrophobicContact CE2-CG 4.05Å; Y363-Q394 HydrophobicContact CG-CB 4.17Å; Y363-Q394 HydrophobicContact CG-CG 3.67Å; L390-Q394 WeakPolarHBondContact O-CB 3.08Å; L390-Q394 PolarHBondContact O-N 3.09Å; L390-Q394 VanDerWaalsContact O-N 3.08Å; A392-Q394 VanDerWaalsContact C-N 3.26Å; A392-Q394 PolarHBondContact O-N 3.45Å; Q394-A397 PolarHBondContact O-N 2.64Å; Q394-C398 PolarHBondContact O-N 2.88Å; Q394-R401 VanDerWaalsContact CD-NH1 3.31Å
395Y93.2Very high93.9Very high1 Ų136.3 Ų36.30%0.00418%0.184CC..Hα-helixtrans-55.4-51.7171178.3-89.9000110.4F85 P86 M89 P90 F91 L300 D391 A392 A397 C398 C399F85-Y395 HydrophobicContact CD1-CE2 4.04Å; P86-Y395 WeakPolarHBondContact CD-OH 3.5Å; P86-Y395 WeakPolarHBondContact O-CE1 3.49Å; P86-Y395 PolarHBondContact O-OH 3.05Å; M89-Y395 HydrophobicContact CG-CD1 3.82Å; M89-Y395 HydrophobicContact CG-CE1 4.24Å; M89-Y395 HydrophobicContact CG-CG 4.4Å; P90-Y395 HydrophobicContact CG-CE2 4.01Å; F91-Y395 AromaticContact CE1-CD2 3.93Å; F91-Y395 HydrophobicContact CE1-CD2 3.93Å; F91-Y395 HydrophobicContact CE1-CG 4.13Å; F91-Y395 HydrophobicContact CZ-CG 4.47Å; L300-Y395 HydrophobicContact CD1-CD2 3.34Å; L300-Y395 HydrophobicContact CD1-CE2 3.53Å; L300-Y395 HydrophobicContact CD1-CG 3.93Å; L300-Y395 HydrophobicContact CG-CE2 4.5Å; D391-Y395 WeakPolarHBondContact O-CB 3.32Å; D391-Y395 PolarHBondContact O-N 2.8Å; A392-Y395 WeakPolarHBondContact O-CB 3.3Å; A392-Y395 PolarHBondContact O-N 3.19Å; Y395-A397 PolarHBondContact O-N 2.86Å; Y395-C398 PolarHBondContact O-N 3.28Å; Y395-C399 PolarHBondContact O-N 3.35Å; Y395-C399 VanDerWaalsContact O-N 3.16Å
396H94Very high94.2Very high80 Ų8036.2 Ų36.237%0.3717%0.174SC..Hα-helixtrans-63.6-40176.9-67.6-50.4000112.8T87 A392 D393 C398 C399 F400T87-H396 PolarHBondContact O-CE1 3.35Å; A392-H396 PolarHBondContact O-CD2 3.11Å; A392-H396 VanDerWaalsContact O-CD2 3.25Å; A392-H396 PolarHBondContact O-N 3.47Å; A392-H396 VanDerWaalsContact O-N 3.12Å; D393-H396 PolarHBondContact O-N 2.82Å; H396-C398 PolarHBondContact O-N 2.9Å; H396-C399 PolarHBondContact O-N 2.82Å; H396-F400 WeakPolarHBondContact O-CB 3.27Å; H396-F400 PolarHBondContact O-N 2.92Å
397A95Very high94.3Very high26 Ų2638.5 Ų38.522%0.21518%0.181CC..Hα-helixtrans-63.9-38.717800000112.3D393 Q394 Y395 F400 R401D393-A397 VanDerWaalsContact O-CB 3.29Å; D393-A397 WeakPolarHBondContact O-CB 3.2Å; D393-A397 PolarHBondContact O-N 2.94Å; Q394-A397 PolarHBondContact O-N 2.64Å; Y395-A397 PolarHBondContact O-N 2.86Å; A397-F400 PolarHBondContact O-N 3.21Å; A397-R401 WeakPolarHBondContact O-CB 3.35Å; A397-R401 VanDerWaalsContact O-CD 3.32Å; A397-R401 WeakPolarHBondContact O-CD 3.33Å; A397-R401 WeakPolarHBondContact O-CG 3.48Å; A397-R401 PolarHBondContact O-N 3.34Å
398C92.9Very high94.5Very high0 Ų039.7 Ų39.70%019%0.187CC..Hα-helixtrans-64.4-45.7173.7-77.60000112.7L300 H301 V304 Q394 Y395 H396 F400 R401 L402L300-C398 HydrophobicContact CB-CB 3.83Å; L300-C398 HydrophobicContact CD1-CB 3.99Å; L300-C398 HydrophobicContact CG-CB 4.37Å; H301-C398 VanDerWaalsContact CD2-SG 3.59Å; V304-C398 HydrophobicContact CG2-CB 3.83Å; Q394-C398 PolarHBondContact O-N 2.88Å; Y395-C398 PolarHBondContact O-N 3.28Å; H396-C398 PolarHBondContact O-N 2.9Å; C398-F400 VanDerWaalsContact C-N 3.26Å; C398-F400 PolarHBondContact O-N 2.95Å; C398-R401 PolarHBondContact O-N 2.74Å; C398-L402 PolarHBondContact O-N 2.91Å
399C92.8Very high94.7Very high7 Ų737.6 Ų37.65%0.04718%0.179CC..Hα-helixtrans-60.4-35.8173.1-69.30000112.4L82 Y395 H396 R403L82-C399 HydrophobicContact CD2-CB 4.34Å; L82-C399 WeakPolarHBondContact CD2-O 3.49Å; Y395-C399 PolarHBondContact O-N 3.35Å; Y395-C399 VanDerWaalsContact O-N 3.16Å; H396-C399 PolarHBondContact O-N 2.82Å; C399-R403 VanDerWaalsContact O-CG 3.32Å; C399-R403 WeakPolarHBondContact O-CG 3.48Å; C399-R403 PolarHBondContact O-N 3.29Å
400F94.1Very high94.7Very high127 Ų12735.6 Ų35.656%0.55717%0.173SC*.Hα-helixtrans-69-43175.3-175.5-110.3000112.9H396 A397 C398 L402 R403 I404H396-F400 WeakPolarHBondContact O-CB 3.27Å; H396-F400 PolarHBondContact O-N 2.92Å; A397-F400 PolarHBondContact O-N 3.21Å; C398-F400 VanDerWaalsContact C-N 3.26Å; C398-F400 PolarHBondContact O-N 2.95Å; F400-L402 PolarHBondContact O-N 2.85Å; F400-R403 WeakPolarHBondContact O-CB 3.28Å; F400-R403 PolarHBondContact O-N 2.91Å; F400-R403 VanDerWaalsContact O-N 3.13Å; F400-I404 HydrophobicContact CD1-CD1 3.82Å; F400-I404 HydrophobicContact CE1-CD1 3.44Å; F400-I404 VanDerWaalsContact CE1-CD1 3.44Å; F400-I404 HydrophobicContact CE1-CG1 4.26Å; F400-I404 HydrophobicContact CZ-CD1 3.96Å; F400-I404 HydrophobicContact CZ-CG1 4.36Å; F400-I404 PolarHBondContact O-N 3.46Å
401R94.8Very high94.7Very high17 Ų1738.2 Ų38.26%0.06419%0.187CC..Hα-helixtrans-59.7-42.7175.2-71.2158.2-177.4136.56.1112.2V304 I356 Q359 Q394 A397 C398 I404 M405V304-R401 HydrophobicContact CG1-CB 4.46Å; I356-R401 HydrophobicContact CD1-CB 4.09Å; I356-R401 HydrophobicContact CD1-CG 4.05Å; I356-R401 HydrophobicContact CG1-CG 4.08Å; I356-R401 HydrophobicContact CG2-CG 4.35Å; Q359-R401 VanDerWaalsContact OE1-NE 3.11Å; Q394-R401 VanDerWaalsContact CD-NH1 3.31Å; A397-R401 WeakPolarHBondContact O-CB 3.35Å; A397-R401 VanDerWaalsContact O-CD 3.32Å; A397-R401 WeakPolarHBondContact O-CD 3.33Å; A397-R401 WeakPolarHBondContact O-CG 3.48Å; A397-R401 PolarHBondContact O-N 3.34Å; C398-R401 PolarHBondContact O-N 2.74Å; R401-I404 PolarHBondContact O-N 3.29Å; R401-M405 PolarHBondContact O-N 2.67Å
402L93.5Very high94.7Very high0 Ų038.3 Ų38.30%019%0.187CC..Hα-helixtrans-59.6-45.2172.4-73.2167.7000111.4V78 I81 L82 L300 V304 E307 C398 F400 I404 M405 R406V78-L402 HydrophobicContact CG1-CB 3.91Å; V78-L402 HydrophobicContact CG1-CD2 4.12Å; V78-L402 VanDerWaalsContact CG1-O 3.29Å; V78-L402 WeakPolarHBondContact CG1-O 3.23Å; I81-L402 HydrophobicContact CG2-CD1 3.84Å; L82-L402 HydrophobicContact CD1-CB 4.29Å; L82-L402 HydrophobicContact CD2-CB 3.88Å; L82-L402 HydrophobicContact CD2-CD1 4.27Å; L82-L402 HydrophobicContact CG-CB 4.14Å; L300-L402 HydrophobicContact CD2-CD1 4.19Å; V304-L402 HydrophobicContact CG2-CD1 4.26Å; V304-L402 HydrophobicContact CG2-CD2 4.25Å; V304-L402 HydrophobicContact CG2-CG 3.89Å; E307-L402 HydrophobicContact CB-CD2 4.26Å; C398-L402 PolarHBondContact O-N 2.91Å; F400-L402 PolarHBondContact O-N 2.85Å; L402-I404 VanDerWaalsContact C-N 3.33Å; L402-I404 PolarHBondContact O-N 3.17Å; L402-M405 HydrophobicContact CD2-CE 4.06Å; L402-M405 PolarHBondContact O-N 2.75Å; L402-R406 WeakPolarHBondContact O-CB 3.38Å; L402-R406 PolarHBondContact O-N 3.45Å
403R94.6Very high94.7Very high91 Ų9139 Ų3934%0.34319%0.19SC..Hα-helixtrans-60.7-38.5176-70.6167-176.2167.41.6112.5L82 C399 F400 N407L82-R403 HydrophobicContact CD1-CB 4.45Å; L82-R403 HydrophobicContact CD1-CG 3.55Å; L82-R403 HydrophobicContact CD2-CG 4.03Å; L82-R403 HydrophobicContact CG-CG 4.46Å; C399-R403 VanDerWaalsContact O-CG 3.32Å; C399-R403 WeakPolarHBondContact O-CG 3.48Å; C399-R403 PolarHBondContact O-N 3.29Å; F400-R403 WeakPolarHBondContact O-CB 3.28Å; F400-R403 PolarHBondContact O-N 2.91Å; F400-R403 VanDerWaalsContact O-N 3.13Å; R403-N407 WeakPolarHBondContact O-CB 3Å; R403-N407 PolarHBondContact O-N 3.25Å; R403-N407 PolarHBondContact O-ND2 3.15Å; R403-N407 PolarHBondContact O-OD1 3.41Å
404I94.3Very high94.5Very high30 Ų3040.1 Ų40.115%0.15419%0.193CC..Hα-helixtrans-60.9-53.3173.6-72.2168.9000110.6F400 R401 L402 R406 N407 H408F400-I404 HydrophobicContact CD1-CD1 3.82Å; F400-I404 HydrophobicContact CE1-CD1 3.44Å; F400-I404 VanDerWaalsContact CE1-CD1 3.44Å; F400-I404 HydrophobicContact CE1-CG1 4.26Å; F400-I404 HydrophobicContact CZ-CD1 3.96Å; F400-I404 HydrophobicContact CZ-CG1 4.36Å; F400-I404 PolarHBondContact O-N 3.46Å; R401-I404 PolarHBondContact O-N 3.29Å; L402-I404 VanDerWaalsContact C-N 3.33Å; L402-I404 PolarHBondContact O-N 3.17Å; I404-R406 VanDerWaalsContact C-N 3.35Å; I404-R406 PolarHBondContact O-N 3.47Å; I404-N407 PolarHBondContact O-N 3.29Å; I404-N407 VanDerWaalsContact O-N 3.14Å; I404-H408 PolarHBondContact O-N 3.39Å
405M95.8Very high94.4Very high0 Ų039.9 Ų39.90%019%0.193CC..Hα-helixtrans-58.8-44.8-179.6-71.2-175.3-7400111.9V304 E307 L308 F311 V353 R401 L402 N407 H408 Y409V304-M405 HydrophobicContact CG1-CE 4.31Å; E307-M405 HydrophobicContact CB-CE 3.89Å; E307-M405 HydrophobicContact CB-SD 4.15Å; E307-M405 HydrophobicContact CG-CB 4.37Å; E307-M405 HydrophobicContact CG-CE 3.94Å; E307-M405 HydrophobicContact CG-SD 3.87Å; L308-M405 HydrophobicContact CB-SD 4.41Å; F311-M405 HydrophobicContact CB-SD 4.24Å; F311-M405 HydrophobicContact CD2-CB 3.77Å; F311-M405 HydrophobicContact CD2-CG 3.8Å; F311-M405 HydrophobicContact CD2-SD 4.41Å; F311-M405 HydrophobicContact CE2-CB 4.03Å; F311-M405 HydrophobicContact CE2-CG 4.11Å; F311-M405 HydrophobicContact CG-CG 4.25Å; F311-M405 HydrophobicContact CG-SD 4.4Å; V353-M405 HydrophobicContact CG1-CG 3.97Å; R401-M405 PolarHBondContact O-N 2.67Å; L402-M405 HydrophobicContact CD2-CE 4.06Å; L402-M405 PolarHBondContact O-N 2.75Å; M405-N407 PolarHBondContact O-N 3.42Å; M405-H408 PolarHBondContact O-N 3.49Å; M405-Y409 WeakPolarHBondContact O-CD2 3.32Å; M405-Y409 PolarHBondContact O-N 2.96Å; M405-Y409 VanDerWaalsContact O-N 3.09Å
406R95.9Very high94.2Very high65 Ų6539.9 Ų39.925%0.24519%0.193CC..Hα-helixtrans-55.5-49.6172.8-173-16163.8-178-2.3112.5A75 V78 N79 L402 I404 H408 Y409 V410A75-R406 HydrophobicContact CB-CG 4.36Å; V78-R406 HydrophobicContact CB-CB 4.09Å; V78-R406 HydrophobicContact CB-CG 4.42Å; V78-R406 HydrophobicContact CG1-CB 3.76Å; V78-R406 HydrophobicContact CG1-CG 4.46Å; N79-R406 WeakPolarHBondContact OD1-CD 3.38Å; N79-R406 PolarHBondContact OD1-NH1 2.88Å; L402-R406 WeakPolarHBondContact O-CB 3.38Å; L402-R406 PolarHBondContact O-N 3.45Å; I404-R406 VanDerWaalsContact C-N 3.35Å; I404-R406 PolarHBondContact O-N 3.47Å; R406-H408 VanDerWaalsContact C-N 3.3Å; R406-H408 PolarHBondContact O-N 3.39Å; R406-Y409 PolarHBondContact O-N 3.5Å; R406-V410 PolarHBondContact O-N 3Å
407N95.9Very high93.8Very high82 Ų8237.1 Ų37.144%0.43918%0.181SC..Hα-helixtrans-63.9-37.5-177.7-68.5-6.3000111.5R403 I404 M405 V410 L411R403-N407 WeakPolarHBondContact O-CB 3Å; R403-N407 PolarHBondContact O-N 3.25Å; R403-N407 PolarHBondContact O-ND2 3.15Å; R403-N407 PolarHBondContact O-OD1 3.41Å; I404-N407 PolarHBondContact O-N 3.29Å; I404-N407 VanDerWaalsContact O-N 3.14Å; M405-N407 PolarHBondContact O-N 3.42Å; N407-V410 PolarHBondContact O-N 3.45Å; N407-L411 VanDerWaalsContact O-CB 3.27Å; N407-L411 WeakPolarHBondContact O-CB 3.35Å; N407-L411 PolarHBondContact O-N 3.03Å
408H96.6Very high93.4Very high26 Ų2639.4 Ų39.412%0.1219%0.194CC..Hα-helixtrans-64.9-41.4175.5-85.2-46.9000112.9F311 F315 E352 I404 M405 R406 V410 L411 M412F311-H408 HydrophobicContact CE2-CB 3.6Å; F311-H408 HydrophobicContact CZ-CB 3.63Å; F315-H408 HydrophobicContact CE1-CB 4.46Å; F315-H408 HydrophobicContact CZ-CB 3.89Å; E352-H408 IonicContact OE2-CD2 3.69Å; E352-H408 IonicContact OE2-CE1 2.75Å; E352-H408 PolarHBondContact OE2-CE1 3.45Å; E352-H408 VanDerWaalsContact OE2-CE1 3.31Å; E352-H408 IonicContact OE2-NE2 3.24Å; E352-H408 PolarHBondContact OE2-NE2 2.77Å; I404-H408 PolarHBondContact O-N 3.39Å; M405-H408 PolarHBondContact O-N 3.49Å; R406-H408 VanDerWaalsContact C-N 3.3Å; R406-H408 PolarHBondContact O-N 3.39Å; H408-V410 PolarHBondContact O-N 3.2Å; H408-L411 PolarHBondContact O-N 2.91Å; H408-M412 WeakPolarHBondContact O-CB 3.43Å; H408-M412 VanDerWaalsContact O-CG 3.31Å; H408-M412 WeakPolarHBondContact O-CG 3.22Å; H408-M412 PolarHBondContact O-N 3.13Å
409Y96.4Very high92.9Very high0 Ų042.5 Ų42.50%021%0.208CC..Hα-helixtrans-57.2-49173.3-71-55.3000111.8F71 R74 V78 E307 F311 F315 M405 R406 H413F71-Y409 HydrophobicContact CB-CD1 4.34Å; F71-Y409 AromaticContact CD1-CD1 3.61Å; F71-Y409 HydrophobicContact CD1-CD1 3.61Å; F71-Y409 HydrophobicContact CD1-CE1 4.12Å; F71-Y409 HydrophobicContact CE1-CD1 4.16Å; F71-Y409 HydrophobicContact CE1-CE1 4.47Å; F71-Y409 HydrophobicContact CG-CD1 4.16Å; F71-Y409 WeakPolarHBondContact O-CB 3.36Å; R74-Y409 HydrophobicContact CB-CD1 4.14Å; R74-Y409 HydrophobicContact CB-CD2 3.74Å; R74-Y409 HydrophobicContact CB-CE1 3.81Å; R74-Y409 HydrophobicContact CB-CE2 3.39Å; R74-Y409 HydrophobicContact CB-CG 4.11Å; R74-Y409 HydrophobicContact CG-CE1 4.08Å; R74-Y409 HydrophobicContact CG-CE2 4.27Å; V78-Y409 HydrophobicContact CG2-CE2 4.36Å; E307-Y409 VanDerWaalsContact OE1-CE2 3.23Å; E307-Y409 WeakPolarHBondContact OE1-CE2 3.31Å; E307-Y409 PolarHBondContact OE1-OH 3.38Å; F311-Y409 VanDerWaalsContact CA-OH 3.3Å; F311-Y409 WeakPolarHBondContact CA-OH 3.49Å; F311-Y409 HydrophobicContact CD2-CD1 4.49Å; F311-Y409 AromaticContact CD2-CE1 3.91Å; F311-Y409 HydrophobicContact CD2-CE1 3.91Å; F311-Y409 AromaticContact CD2-CE2 3.95Å; F311-Y409 HydrophobicContact CD2-CE2 3.95Å; F311-Y409 AromaticContact CD2-CZ 3.63Å; F311-Y409 HydrophobicContact CE2-CE1 4.47Å; F311-Y409 PolarHBondContact N-OH 2.94Å; F315-Y409 HydrophobicContact CD2-CE1 4.37Å; F315-Y409 AromaticContact CE2-CD1 3.75Å; F315-Y409 HydrophobicContact CE2-CD1 3.75Å; F315-Y409 AromaticContact CE2-CE1 3.87Å; F315-Y409 HydrophobicContact CE2-CE1 3.87Å; M405-Y409 WeakPolarHBondContact O-CD2 3.32Å; M405-Y409 PolarHBondContact O-N 2.96Å; M405-Y409 VanDerWaalsContact O-N 3.09Å; R406-Y409 PolarHBondContact O-N 3.5Å; Y409-H413 VanDerWaalsContact O-CB 3.3Å; Y409-H413 WeakPolarHBondContact O-CB 3.03Å; Y409-H413 PolarHBondContact O-N 3.38Å
410V95.3Very high92.4Very high57 Ų5742.4 Ų42.435%0.34521%0.208SC..Hα-helixtrans-63-49178.9178.30000111.2A75 R406 N407 H408 M412 H413 E414A75-V410 HydrophobicContact CB-CG2 3.82Å; R406-V410 PolarHBondContact O-N 3Å; N407-V410 PolarHBondContact O-N 3.45Å; H408-V410 PolarHBondContact O-N 3.2Å; V410-M412 VanDerWaalsContact C-N 3.33Å; V410-M412 PolarHBondContact O-N 3.39Å; V410-H413 WeakPolarHBondContact O-CB 3.44Å; V410-H413 PolarHBondContact O-N 3.36Å; V410-E414 WeakPolarHBondContact O-CG 3.16Å; V410-E414 PolarHBondContact O-N 3.38Å
411L94.8Very high91.8Very high85 Ų8540.9 Ų40.945%0.44520%0.201SC..Hα-helixtrans-64-36.9-177.6-175.567.2000112.6N407 H408 S415N407-L411 VanDerWaalsContact O-CB 3.27Å; N407-L411 WeakPolarHBondContact O-CB 3.35Å; N407-L411 PolarHBondContact O-N 3.03Å; H408-L411 PolarHBondContact O-N 2.91Å; L411-S415 VanDerWaalsContact O-CB 3.25Å; L411-S415 WeakPolarHBondContact O-CB 3.34Å; L411-S415 PolarHBondContact O-N 3.35Å; L411-S415 PolarHBondContact O-OG 3.01Å
412M93.8Very high91.1Very high4 Ų442.7 Ų42.72%0.0221%0.214CC..Hα-helixtrans-77.5-34.1177.4-68.2-55.6104.700112.3F71 F315 R345 L346 H408 V410 S415 L416F71-M412 HydrophobicContact CD2-CB 4.06Å; F71-M412 HydrophobicContact CE2-CB 3.55Å; F71-M412 HydrophobicContact CZ-CB 4.27Å; F315-M412 HydrophobicContact CE1-CB 4.42Å; F315-M412 HydrophobicContact CE1-CG 3.52Å; F315-M412 HydrophobicContact CZ-CB 4.22Å; F315-M412 HydrophobicContact CZ-CG 3.69Å; R345-M412 HydrophobicContact CB-CE 3.9Å; R345-M412 HydrophobicContact CB-SD 3.94Å; L346-M412 HydrophobicContact CD2-CB 4.15Å; L346-M412 HydrophobicContact CD2-CG 3.73Å; L346-M412 HydrophobicContact CD2-SD 3.74Å; L346-M412 HydrophobicContact CG-SD 3.99Å; H408-M412 WeakPolarHBondContact O-CB 3.43Å; H408-M412 VanDerWaalsContact O-CG 3.31Å; H408-M412 WeakPolarHBondContact O-CG 3.22Å; H408-M412 PolarHBondContact O-N 3.13Å; V410-M412 VanDerWaalsContact C-N 3.33Å; V410-M412 PolarHBondContact O-N 3.39Å; M412-S415 PolarHBondContact O-N 3Å; M412-L416 WeakPolarHBondContact O-CB 3.42Å; M412-L416 WeakPolarHBondContact O-CG 3.37Å; M412-L416 PolarHBondContact O-N 3.14Å
413H94Very high90.3Very high16 Ų1643 Ų437%0.07422%0.215CC..Hα-helixtrans-55.8-55.8169.1173.4-92.9000110.7L68 F71 L72 Y409 V410 S415 L416 L417L68-H413 WeakPolarHBondContact CD2-O 3.34Å; L68-H413 PolarHBondContact O-CD2 3.27Å; F71-H413 HydrophobicContact CB-CB 4.15Å; F71-H413 HydrophobicContact CD2-CB 4.28Å; L72-H413 HydrophobicContact CD2-CB 4.48Å; Y409-H413 VanDerWaalsContact O-CB 3.3Å; Y409-H413 WeakPolarHBondContact O-CB 3.03Å; Y409-H413 PolarHBondContact O-N 3.38Å; V410-H413 WeakPolarHBondContact O-CB 3.44Å; V410-H413 PolarHBondContact O-N 3.36Å; H413-S415 VanDerWaalsContact C-N 3.35Å; H413-S415 PolarHBondContact O-N 3.04Å; H413-L416 PolarHBondContact O-N 3.09Å; H413-L417 WeakPolarHBondContact O-CB 3.28Å; H413-L417 PolarHBondContact O-N 3.34Å
414E92.4Very high89.5Confident114 Ų11439.2 Ų39.253%0.53320%0.202SC..Hα-helixtrans-59.2-43.8178.2-70.4-177.9171.800112.5V410 C418V410-E414 WeakPolarHBondContact O-CG 3.16Å; V410-E414 PolarHBondContact O-N 3.38Å; E414-C418 WeakPolarHBondContact O-CB 3.16Å; E414-C418 PolarHBondContact O-N 3.19Å
415S91.3Very high88.8Confident10 Ų1047.9 Ų47.97%0.0723%0.233CC..Hα-helixtrans-63-48.5-179.5-65.50000111.9R345 L411 M412 H413 E419R345-S415 PolarHBondContact NH1-OG 3.38Å; L411-S415 VanDerWaalsContact O-CB 3.25Å; L411-S415 WeakPolarHBondContact O-CB 3.34Å; L411-S415 PolarHBondContact O-N 3.35Å; L411-S415 PolarHBondContact O-OG 3.01Å; M412-S415 PolarHBondContact O-N 3Å; H413-S415 VanDerWaalsContact C-N 3.35Å; H413-S415 PolarHBondContact O-N 3.04Å; S415-E419 WeakPolarHBondContact O-CG 3.44Å; S415-E419 PolarHBondContact O-N 3.08Å
416L88.9Confident87.9Confident1 Ų152 Ų521%0.00525%0.252CS..Hα-helixtrans-66.7-41.8179.4-75.4173.1000112L64 V67 L68 F71 W321 V322 L342 M412 H413 T420L64-L416 HydrophobicContact CD1-CB 4.21Å; L64-L416 HydrophobicContact CD1-CD1 4.22Å; L64-L416 HydrophobicContact CD1-CD2 4.46Å; V67-L416 HydrophobicContact CG1-CD1 4.28Å; L68-L416 HydrophobicContact CD2-CB 3.81Å; L68-L416 HydrophobicContact CD2-CD1 4.46Å; F71-L416 HydrophobicContact CE2-CD1 3.77Å; W321-L416 HydrophobicContact CE3-CD2 4.38Å; W321-L416 HydrophobicContact CZ3-CD2 4.11Å; V322-L416 HydrophobicContact CG2-CD2 3.95Å; L342-L416 HydrophobicContact CD1-CD2 4.13Å; L342-L416 HydrophobicContact CD2-CD2 4.32Å; M412-L416 WeakPolarHBondContact O-CB 3.42Å; M412-L416 WeakPolarHBondContact O-CG 3.37Å; M412-L416 PolarHBondContact O-N 3.14Å; H413-L416 PolarHBondContact O-N 3.09Å; L416-T420 VanDerWaalsContact O-CB 3.27Å; L416-T420 WeakPolarHBondContact O-CB 2.77Å; L416-T420 PolarHBondContact O-N 2.93Å; L416-T420 PolarHBondContact O-OG1 2.9Å
417L87.4Confident86.6Confident22 Ų2250.5 Ų50.512%0.11525%0.249CC..Hα-helixtrans-63.4-44.7178.7-177.261000111.9L68 H413 K421 F435L68-L417 HydrophobicContact CD1-CD1 4.11Å; L68-L417 HydrophobicContact CD2-CB 4.35Å; H413-L417 WeakPolarHBondContact O-CB 3.28Å; H413-L417 PolarHBondContact O-N 3.34Å; L417-K421 HydrophobicContact CD1-CD 3.97Å; L417-K421 VanDerWaalsContact CD1-CE 3.46Å; L417-K421 HydrophobicContact CD1-CG 4.35Å; L417-K421 HydrophobicContact CG-CD 4.09Å; L417-K421 WeakPolarHBondContact O-CB 3.3Å; L417-K421 WeakPolarHBondContact O-CG 3.3Å; L417-K421 PolarHBondContact O-N 2.86Å; L417-F435 HydrophobicContact CD1-CB 3.67Å; L417-F435 HydrophobicContact CD1-CD1 3.67Å; L417-F435 HydrophobicContact CD1-CG 3.73Å
418C86.8Confident85.4Confident74 Ų7452.8 Ų52.850%0.526%0.261SS..Hα-helixtrans-65.8-48.8-178.4-1740000112.4E414 T420 K421 T422E414-C418 WeakPolarHBondContact O-CB 3.16Å; E414-C418 PolarHBondContact O-N 3.19Å; C418-T420 VanDerWaalsContact C-N 3.34Å; C418-T420 PolarHBondContact O-N 2.79Å; C418-K421 PolarHBondContact O-N 3.37Å; C418-T422 WeakPolarHBondContact O-CB 3.49Å; C418-T422 PolarHBondContact O-N 3.12Å; C418-T422 PolarHBondContact O-OG1 2.84Å
419E82.3Confident83.9Confident64 Ų6452.9 Ų52.930%0.29926%0.262SS..Hα-helixtrans-67-35.7179.4-64.8-67167.800111.4A338 L342 S415 T422 F423A338-E419 WeakPolarHBondContact CB-OE2 3.31Å; L342-E419 HydrophobicContact CD1-CB 3.72Å; L342-E419 HydrophobicContact CD1-CG 3.78Å; L342-E419 HydrophobicContact CD2-CG 4.16Å; L342-E419 HydrophobicContact CG-CG 4.08Å; S415-E419 WeakPolarHBondContact O-CG 3.44Å; S415-E419 PolarHBondContact O-N 3.08Å; E419-T422 WeakPolarHBondContact O-CB 3.46Å; E419-T422 PolarHBondContact O-N 3.1Å; E419-F423 PolarHBondContact O-N 3Å
420T80.6Confident82.3Confident6 Ų662.4 Ų62.44%0.03730%0.299CS..Hα-helixtrans-69.9-46.3176.2-550000111.9L64 L416 C418 T422 F423 L424 F435L64-T420 HydrophobicContact CD2-CG2 3.58Å; L64-T420 WeakPolarHBondContact CD2-OG1 3.27Å; L416-T420 VanDerWaalsContact O-CB 3.27Å; L416-T420 WeakPolarHBondContact O-CB 2.77Å; L416-T420 PolarHBondContact O-N 2.93Å; L416-T420 PolarHBondContact O-OG1 2.9Å; C418-T420 VanDerWaalsContact C-N 3.34Å; C418-T420 PolarHBondContact O-N 2.79Å; T420-T422 PolarHBondContact O-N 2.96Å; T420-F423 PolarHBondContact O-N 3.03Å; T420-F423 VanDerWaalsContact O-N 3.15Å; T420-L424 HydrophobicContact CG2-CD1 3.99Å; T420-L424 HydrophobicContact CG2-CG 4.27Å; T420-L424 VanDerWaalsContact O-CG 3.31Å; T420-L424 WeakPolarHBondContact O-CG 3.36Å; T420-L424 PolarHBondContact O-N 2.96Å; T420-F435 HydrophobicContact CG2-CE1 4.24Å; T420-F435 HydrophobicContact CG2-CZ 3.84Å
421K82Confident80.6Confident95 Ų9561.9 Ų61.941%0.41330%0.296SS..Hα-helixtrans-58-35.6173.8-78.1175174.5165.60111.5L417 C418 R425 F435L417-K421 HydrophobicContact CD1-CD 3.97Å; L417-K421 VanDerWaalsContact CD1-CE 3.46Å; L417-K421 HydrophobicContact CD1-CG 4.35Å; L417-K421 HydrophobicContact CG-CD 4.09Å; L417-K421 WeakPolarHBondContact O-CB 3.3Å; L417-K421 WeakPolarHBondContact O-CG 3.3Å; L417-K421 PolarHBondContact O-N 2.86Å; C418-K421 PolarHBondContact O-N 3.37Å; K421-R425 WeakPolarHBondContact O-CB 3.38Å; K421-R425 PolarHBondContact O-N 3.44Å; K421-F435 HydrophobicContact CG-CD2 4.32Å
422T80Confident78.5Confident55 Ų5565.3 Ų65.334%0.33732%0.315SS..Hα-helixtrans-66.7-48.5174-57.30000111.7C418 E419 T420 L424 R425 E426C418-T422 WeakPolarHBondContact O-CB 3.49Å; C418-T422 PolarHBondContact O-N 3.12Å; C418-T422 PolarHBondContact O-OG1 2.84Å; E419-T422 WeakPolarHBondContact O-CB 3.46Å; E419-T422 PolarHBondContact O-N 3.1Å; T420-T422 PolarHBondContact O-N 2.96Å; T422-L424 PolarHBondContact O-N 2.98Å; T422-R425 PolarHBondContact O-N 3.26Å; T422-E426 WeakPolarHBondContact O-CB 3.49Å; T422-E426 WeakPolarHBondContact O-CG 3.34Å; T422-E426 PolarHBondContact O-N 3.45Å; T422-E426 VanDerWaalsContact O-N 3.09Å
423F78Confident76.7Confident6 Ų671 Ų713%0.02634%0.341CS..Hα-helixtrans-57-47.4176.2170.7-95.4000112.7F325 L329 Y335 E419 T420 E426 N427 I429F325-F423 HydrophobicContact CE1-CD1 4.37Å; F325-F423 HydrophobicContact CE1-CG 4.48Å; F325-F423 HydrophobicContact CE2-CE1 4.46Å; F325-F423 AromaticContact CZ-CD1 3.84Å; F325-F423 HydrophobicContact CZ-CD1 3.84Å; F325-F423 AromaticContact CZ-CE1 3.63Å; F325-F423 HydrophobicContact CZ-CE1 3.63Å; F325-F423 HydrophobicContact CZ-CE2 4.44Å; F325-F423 HydrophobicContact CZ-CG 4.34Å; F325-F423 AromaticContact CZ-CZ 3.97Å; F325-F423 HydrophobicContact CZ-CZ 3.97Å; L329-F423 HydrophobicContact CD1-CD2 4.11Å; L329-F423 HydrophobicContact CD1-CE2 3.67Å; L329-F423 HydrophobicContact CD1-CZ 4.27Å; L329-F423 HydrophobicContact CD2-CE2 3.59Å; L329-F423 HydrophobicContact CD2-CZ 3.53Å; L329-F423 HydrophobicContact CG-CE2 4.3Å; Y335-F423 HydrophobicContact CD1-CB 4.36Å; Y335-F423 AromaticContact CD1-CD2 3.81Å; Y335-F423 HydrophobicContact CD1-CD2 3.81Å; Y335-F423 AromaticContact CD2-CD2 3.59Å; Y335-F423 HydrophobicContact CD2-CD2 3.59Å; Y335-F423 AromaticContact CD2-CE2 3.74Å; Y335-F423 HydrophobicContact CD2-CE2 3.74Å; Y335-F423 HydrophobicContact CE1-CB 4.43Å; Y335-F423 HydrophobicContact CE1-CD2 4.01Å; Y335-F423 AromaticContact CE2-CD2 3.79Å; Y335-F423 HydrophobicContact CE2-CD2 3.79Å; Y335-F423 AromaticContact CE2-CE2 3.93Å; Y335-F423 HydrophobicContact CE2-CE2 3.93Å; Y335-F423 AromaticContact CG-CD2 3.61Å; Y335-F423 HydrophobicContact CG-CD2 3.61Å; Y335-F423 HydrophobicContact CG-CE2 4.19Å; E419-F423 PolarHBondContact O-N 3Å; T420-F423 PolarHBondContact O-N 3.03Å; T420-F423 VanDerWaalsContact O-N 3.15Å; F423-E426 PolarHBondContact O-N 2.99Å; F423-N427 WeakPolarHBondContact CD2-ND2 3.43Å; F423-N427 WeakPolarHBondContact CE2-ND2 3.49Å; F423-N427 PolarHBondContact O-N 2.88Å; F423-N427 PolarHBondContact O-ND2 2.93Å; F423-I429 HydrophobicContact CD1-CD1 4.24Å; F423-I429 HydrophobicContact CE1-CD1 3.44Å; F423-I429 VanDerWaalsContact CE1-CD1 3.44Å; F423-I429 HydrophobicContact CZ-CD1 3.95Å
424L77.1Confident74.9Confident12 Ų1275.8 Ų75.86%0.06337%0.374CS..Hα-helixtrans-64.4-46.5-177.3-66.3170.7000111.7I61 T420 T422 E426 N427 D428 I429 V431 F435I61-L424 HydrophobicContact CD1-CD2 3.91Å; T420-L424 HydrophobicContact CG2-CD1 3.99Å; T420-L424 HydrophobicContact CG2-CG 4.27Å; T420-L424 VanDerWaalsContact O-CG 3.31Å; T420-L424 WeakPolarHBondContact O-CG 3.36Å; T420-L424 PolarHBondContact O-N 2.96Å; T422-L424 PolarHBondContact O-N 2.98Å; L424-E426 VanDerWaalsContact C-N 3.33Å; L424-E426 PolarHBondContact O-N 3Å; L424-N427 PolarHBondContact O-N 2.99Å; L424-D428 PolarHBondContact O-N 3.24Å; L424-I429 HydrophobicContact CB-CB 4.46Å; L424-I429 HydrophobicContact CD2-CB 3.72Å; L424-I429 HydrophobicContact CD2-CD1 3.97Å; L424-I429 HydrophobicContact CD2-CG1 4.48Å; L424-I429 HydrophobicContact CD2-CG2 3.65Å; L424-I429 PolarHBondContact O-N 3.09Å; L424-V431 HydrophobicContact CD1-CG2 3.7Å; L424-V431 HydrophobicContact CD2-CG2 4.05Å; L424-V431 HydrophobicContact CG-CG2 4.48Å; L424-F435 HydrophobicContact CD1-CE2 3.41Å; L424-F435 VanDerWaalsContact CD1-CE2 3.41Å; L424-F435 HydrophobicContact CD1-CZ 3.57Å
425R79.7Confident73.3Confident211 Ų21171.9 Ų71.980%0.79636%0.356SS*.Hα-helixtrans-59.3-42.2176.9-177.9-177.4-69.2-172.9-2.1112.1K421 T422 N427K421-R425 WeakPolarHBondContact O-CB 3.38Å; K421-R425 PolarHBondContact O-N 3.44Å; T422-R425 PolarHBondContact O-N 3.26Å; R425-N427 VanDerWaalsContact C-N 3.28Å; R425-N427 PolarHBondContact O-N 2.86Å
426E76.8Confident71.5Confident87 Ų8775.3 Ų75.341%0.40738%0.378SS..THydrogen-bonded Turntrans-80.4-1.8-177.7-68.1-172.2169.300114.4K334 Y335 T422 F423 L424K334-E426 WeakPolarHBondContact CE-OE2 3.13Å; K334-E426 IonicContact NZ-OE1 2.91Å; K334-E426 PolarHBondContact NZ-OE1 2.8Å; K334-E426 IonicContact NZ-OE2 2.75Å; K334-E426 PolarHBondContact NZ-OE2 2.99Å; Y335-E426 HydrophobicContact CE1-CB 4.42Å; Y335-E426 VanDerWaalsContact CE1-OE2 3.28Å; Y335-E426 WeakPolarHBondContact CE1-OE2 3.49Å; Y335-E426 WeakPolarHBondContact OH-CB 3.1Å; Y335-E426 PolarHBondContact OH-OE2 2.92Å; T422-E426 WeakPolarHBondContact O-CB 3.49Å; T422-E426 WeakPolarHBondContact O-CG 3.34Å; T422-E426 PolarHBondContact O-N 3.45Å; T422-E426 VanDerWaalsContact O-N 3.09Å; F423-E426 PolarHBondContact O-N 2.99Å; L424-E426 VanDerWaalsContact C-N 3.33Å; L424-E426 PolarHBondContact O-N 3Å
427N68.2Low70.6Confident33 Ų3379.1 Ų79.118%0.17640%0.396CS..THydrogen-bonded Turntrans-121.411.9174.2-67.1-96.5000113R49 Y335 F423 L424 R425 I429R49-N427 PolarHBondContact NH2-OD1 2.87Å; Y335-N427 VanDerWaalsContact CE2-ND2 3.33Å; Y335-N427 WeakPolarHBondContact CE2-ND2 3.27Å; Y335-N427 VanDerWaalsContact CZ-ND2 3.33Å; Y335-N427 PolarHBondContact OH-ND2 2.82Å; Y335-N427 VanDerWaalsContact OH-ND2 3.11Å; F423-N427 WeakPolarHBondContact CD2-ND2 3.43Å; F423-N427 WeakPolarHBondContact CE2-ND2 3.49Å; F423-N427 PolarHBondContact O-N 2.88Å; F423-N427 PolarHBondContact O-ND2 2.93Å; L424-N427 PolarHBondContact O-N 2.99Å; R425-N427 VanDerWaalsContact C-N 3.28Å; R425-N427 PolarHBondContact O-N 2.86Å; N427-I429 HydrophobicContact CB-CD1 3.66Å; N427-I429 HydrophobicContact CB-CG1 3.84Å; N427-I429 PolarHBondContact O-N 2.71Å
428D71.1Confident69.8Low130 Ų13082.1 Ų82.170%0.69541%0.411SS*.THydrogen-bonded Turntrans53.434.7-176.4-62.9-49.1000114.2L424L424-D428 PolarHBondContact O-N 3.24Å
429I65Low68.8Low28 Ų2882.5 Ų82.514%0.14441%0.406CS..  trans-91.8108-179.7-53.3162.6000108.8V53 F423 L424 N427V53-I429 HydrophobicContact CG1-CD1 3.28Å; V53-I429 HydrophobicContact CG1-CG1 3.78Å; F423-I429 HydrophobicContact CD1-CD1 4.24Å; F423-I429 HydrophobicContact CE1-CD1 3.44Å; F423-I429 VanDerWaalsContact CE1-CD1 3.44Å; F423-I429 HydrophobicContact CZ-CD1 3.95Å; L424-I429 HydrophobicContact CB-CB 4.46Å; L424-I429 HydrophobicContact CD2-CB 3.72Å; L424-I429 HydrophobicContact CD2-CD1 3.97Å; L424-I429 HydrophobicContact CD2-CG1 4.48Å; L424-I429 HydrophobicContact CD2-CG2 3.65Å; L424-I429 PolarHBondContact O-N 3.09Å; N427-I429 HydrophobicContact CB-CD1 3.66Å; N427-I429 HydrophobicContact CB-CG1 3.84Å; N427-I429 PolarHBondContact O-N 2.71Å
430Y63.4Low68Low201 Ų20183.6 Ų83.679%0.78841%0.412SS*.  trans-91.1120.6172.3-69.1-92.9000109.5
431V59.3Low67.2Low46 Ų4688.4 Ų88.428%0.27944%0.436SS..  trans-96.1129.1175.6-1660000107.4I61 L424 E433I61-V431 HydrophobicContact CD1-CG1 4.27Å; I61-V431 HydrophobicContact CD1-CG2 3.61Å; I61-V431 HydrophobicContact CG2-CG1 4.02Å; L424-V431 HydrophobicContact CD1-CG2 3.7Å; L424-V431 HydrophobicContact CD2-CG2 4.05Å; L424-V431 HydrophobicContact CG-CG2 4.48Å; V431-E433 VanDerWaalsContact C-N 3.28Å; V431-E433 PolarHBondContact O-N 3Å
432N50.8Low66.3Low156 Ų15688 Ų8883%0.83444%0.437SS*.SBendtrans-72.3-23.1-178.5-68.2-41.1000113
433E56.5Low65.3Low123 Ų12390.4 Ų90.458%0.57544%0.444SS*.SBendtrans-89.7130.2172.6-68.5-176.4167.600110.9V431V431-E433 VanDerWaalsContact C-N 3.28Å; V431-E433 PolarHBondContact O-N 3Å
434P55.4Low64.3Low118 Ų11896.8 Ų96.877%0.76648%0.477SS*.PPolyproline II helixtrans-67.7137.417029.3-32.8000110
435F57.9Low63.2Low32 Ų32103.9 Ų103.914%0.1451%0.511CS..PPolyproline II helixtrans-62.3144.2162.5-71.2-85.3000109.8I61 L64 N65 L68 L417 T420 K421 L424I61-F435 HydrophobicContact CG2-CE1 4.12Å; I61-F435 HydrophobicContact CG2-CZ 3.9Å; L64-F435 HydrophobicContact CD2-CE1 4.17Å; N65-F435 WeakPolarHBondContact OD1-CD1 3.4Å; N65-F435 VanDerWaalsContact OD1-CE1 3.24Å; N65-F435 WeakPolarHBondContact OD1-CE1 3.02Å; L68-F435 HydrophobicContact CD1-CD1 4.04Å; L68-F435 HydrophobicContact CD1-CE1 4.39Å; L417-F435 HydrophobicContact CD1-CB 3.67Å; L417-F435 HydrophobicContact CD1-CD1 3.67Å; L417-F435 HydrophobicContact CD1-CG 3.73Å; T420-F435 HydrophobicContact CG2-CE1 4.24Å; T420-F435 HydrophobicContact CG2-CZ 3.84Å; K421-F435 HydrophobicContact CG-CD2 4.32Å; L424-F435 HydrophobicContact CD1-CE2 3.41Å; L424-F435 VanDerWaalsContact CD1-CE2 3.41Å; L424-F435 HydrophobicContact CD1-CZ 3.57Å
436P54.6Low61.7Low82 Ų8294.2 Ų94.253%0.53249%0.485SS..  trans-630170.330.3-35.7000112.8Q69Q69-P436 HydrophobicContact CG-CG 4.35Å

Retrieved 436 of 436 residues in 1003.6 ms (Link to these results)