A0A077Z885_TRITR Loading...

Trimethylguanosine synthase

Catalyzes the 2 serial methylation steps for the conversion of the 7-monomethylguanosine (m(7)G) caps of snRNAs and snoRNAs to a 2,2,7-trimethylguanosine (m(2,2,7)G) cap structure. The enzyme is specific for guanine, and N7 methylation must precede N2 methylation. Hypermethylation of the m7G cap of U snRNAs leads to their concentration in nuclear foci, their colocalization with coilin and the formation of canonical Cajal bodies (CBs). Plays a role in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A077Z885, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 524 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
1M26.1Very low23.1Very low246 Ų246136.8 Ų136.8100%1.21283%0.833SS**  0139.70-68.2-178.7-163.700107.2
2V29.7Very low23.1Very low139 Ų139131.8 Ų131.884%0.84282%0.816SS**  trans-51.1139.2-156.1-177.20000115.5
3P28.3Very low22.8Very low124 Ų124129.7 Ų129.781%0.80581%0.81SS**  trans-83.4137.4174.933.4-31.6000112.2
4G24.6Very low22.9Very low73 Ų73131.1 Ų131.175%0.75380%0.799SS**  trans-145.6126.7179.400000112.7
5C23.7Very low23Very low142 Ų142127.4 Ų127.496%0.95979%0.787SS**  trans49.378.4157-69.80000119
6G18.1Very low22.9Very low68 Ų68135.6 Ų135.670%0.70180%0.799SS**  -117.4143.3128.200000107.8
7T22.6Very low23.1Very low135 Ų135134.2 Ų134.283%0.82878%0.783SS**  trans158.2110.9145.3-66.90000111.5
8V21.3Very low23.5Very low107 Ų107130.1 Ų130.165%0.64876%0.763SS**  trans79.699.9136.8-176.80000120.1L10V8-L10 HydrophobicContact CG1-CG 4.24Å; V8-L10 PolarHBondContact O-N 3.4Å; V8-L10 VanDerWaalsContact O-N 3.16Å
9L19.7Very low24.2Very low157 Ų157128.7 Ų128.782%0.82276%0.756SS**  trans-39.696.5135.1-150.993.4000111.8M11L9-M11 PolarHBondContact O-N 3.11Å
10L21.8Very low24.8Very low157 Ų157127.5 Ų127.582%0.82275%0.746SS**  trans-81.692.5167.5-100.1155.7000108.8V8 A12V8-L10 HydrophobicContact CG1-CG 4.24Å; V8-L10 PolarHBondContact O-N 3.4Å; V8-L10 VanDerWaalsContact O-N 3.16Å; L10-A12 VanDerWaalsContact C-N 3.33Å; L10-A12 PolarHBondContact O-N 2.9Å
11M18.7Very low25.6Very low157 Ų157124.8 Ų124.877%0.77373%0.729SS**  trans-60.997.5152.8-79.7-100.5-127.400107.8L9 S13L9-M11 PolarHBondContact O-N 3.11Å; M11-S13 PolarHBondContact O-N 3.42Å
12A22.8Very low26.3Very low76 Ų76119.4 Ų119.463%0.62870%0.7SS**  trans-76.980.3159.600000107.8L10 F14L10-A12 VanDerWaalsContact C-N 3.33Å; L10-A12 PolarHBondContact O-N 2.9Å; A12-F14 HydrophobicContact CB-CD2 4.06Å; A12-F14 HydrophobicContact CB-CE2 4.19Å; A12-F14 PolarHBondContact O-N 2.98Å
13S19.6Very low26.8Very low105 Ų105114.5 Ų114.573%0.73467%0.669SS**  trans-6287.6150.1-76.40000107.1M11 A15M11-S13 PolarHBondContact O-N 3.42Å; S13-A15 PolarHBondContact O-N 2.89Å
14F23.8Very low27.7Very low150 Ų150111 Ų11166%0.65865%0.649SS**  trans-72.195.1151.7-84.3-82.7000105.7A12 E17A12-F14 HydrophobicContact CB-CD2 4.06Å; A12-F14 HydrophobicContact CB-CE2 4.19Å; A12-F14 PolarHBondContact O-N 2.98Å; F14-E17 WeakPolarHBondContact CD1-OE1 3.43Å; F14-E17 WeakPolarHBondContact CE1-OE1 3.32Å
15A24.3Very low28.8Very low75 Ų75112.4 Ų112.462%0.6264%0.64SS**  trans-40.1143.8153.600000108.2S13 E17S13-A15 PolarHBondContact O-N 2.89Å; A15-E17 PolarHBondContact O-N 3.4Å
16W22Very low29.7Very low259 Ų259108.9 Ų108.998%0.98161%0.612SS**  trans-5788.1-178.3-68.539.5000109.2S18W16-S18 PolarHBondContact O-N 2.93Å
17E25.8Very low30.8Very low112 Ų112110.8 Ų110.852%0.52360%0.598SS.*  trans-64.1125.6173.6-84.317317800105.2F14 A15 D21F14-E17 WeakPolarHBondContact CD1-OE1 3.43Å; F14-E17 WeakPolarHBondContact CE1-OE1 3.32Å; A15-E17 PolarHBondContact O-N 3.4Å; E17-D21 HydrophobicContact CB-CB 4.29Å
18S30.7Very low32Very low60 Ų60108.8 Ų108.842%0.4258%0.579SS.*  trans-44.5145.2-179.838.50000110.4W16 D20 D21W16-S18 PolarHBondContact O-N 2.93Å; S18-D20 PolarHBondContact O-N 3.49Å; S18-D21 PolarHBondContact O-N 3.33Å
19T36Very low32.9Very low103 Ų103107.7 Ų107.763%0.63257%0.569SS**Hα-helixtrans-39.1-20.4174.644.40000116.1
20D36.4Very low33.9Very low104 Ų104102.9 Ų102.956%0.55654%0.543SS*.Hα-helixtrans-70-31.2178.8-58.7-9.1000113S18 A24S18-D20 PolarHBondContact O-N 3.49Å; D20-A24 PolarHBondContact O-N 2.88Å
21D42.1Very low34.8Very low72 Ų72102.1 Ų102.139%0.38553%0.533SS..Hα-helixtrans-79.5-34.2-179.9-78.9-36.8000112.8E17 S18 E23 A24 N25E17-D21 HydrophobicContact CB-CB 4.29Å; S18-D21 PolarHBondContact O-N 3.33Å; D21-E23 VanDerWaalsContact C-N 3.33Å; D21-E23 PolarHBondContact O-N 2.94Å; D21-A24 PolarHBondContact O-N 3.41Å; D21-N25 WeakPolarHBondContact O-CB 3.35Å; D21-N25 VanDerWaalsContact O-CG 3.3Å; D21-N25 PolarHBondContact O-N 3.45Å; D21-N25 PolarHBondContact O-ND2 3.38Å
22Q40.6Very low35.8Very low132 Ų132101.3 Ų101.362%0.61753%0.528SS*.Hα-helixtrans-62.9-42.5174.6-162.784.623.300110.7N25 D26Q22-N25 PolarHBondContact O-N 3.47Å; Q22-D26 WeakPolarHBondContact O-CB 3.38Å; Q22-D26 VanDerWaalsContact O-CG 3.29Å; Q22-D26 PolarHBondContact O-N 3.39Å
23E39.4Very low36.5Very low37 Ų37101.1 Ų101.117%0.17352%0.515CS..Hα-helixtrans-70.8-35.2179.9-147.7-170.5162.400112D21 R27 V40D21-E23 VanDerWaalsContact C-N 3.33Å; D21-E23 PolarHBondContact O-N 2.94Å; E23-R27 VanDerWaalsContact O-CB 3.3Å; E23-R27 WeakPolarHBondContact O-CB 3.32Å; E23-R27 WeakPolarHBondContact O-CG 3.49Å; E23-R27 PolarHBondContact O-N 2.96Å; E23-R27 IonicContact OE1-CZ 3.24Å; E23-R27 IonicContact OE1-NE 2.81Å; E23-R27 PolarHBondContact OE1-NE 3.35Å; E23-R27 IonicContact OE1-NH2 2.74Å; E23-R27 PolarHBondContact OE1-NH2 3.06Å; E23-R27 IonicContact OE2-NH2 3.81Å; E23-V40 HydrophobicContact CG-CG1 3.37Å; E23-V40 WeakPolarHBondContact OE1-CG1 3.49Å
24A48.3Very low36.9Very low49 Ų4999.4 Ų99.441%0.40551%0.514SS..Hα-helixtrans-64-44.1173.100000111.5D20 D21 R27 E28D20-A24 PolarHBondContact O-N 2.88Å; D21-A24 PolarHBondContact O-N 3.41Å; A24-R27 PolarHBondContact O-N 3.29Å; A24-E28 VanDerWaalsContact O-CB 3.28Å; A24-E28 WeakPolarHBondContact O-CB 3.31Å; A24-E28 PolarHBondContact O-N 3.4Å
25N47.1Very low37.4Very low104 Ų10495.5 Ų95.556%0.55650%0.5SS*.Hα-helixtrans-62.9-44.1176.1-74.1-29.3000112D21 Q22 E28 L29D21-N25 WeakPolarHBondContact O-CB 3.35Å; D21-N25 VanDerWaalsContact O-CG 3.3Å; D21-N25 PolarHBondContact O-N 3.45Å; D21-N25 PolarHBondContact O-ND2 3.38Å; Q22-N25 PolarHBondContact O-N 3.47Å; N25-E28 PolarHBondContact O-N 2.97Å; N25-L29 VanDerWaalsContact O-CB 3.26Å; N25-L29 WeakPolarHBondContact O-CB 3.34Å; N25-L29 PolarHBondContact O-N 3.07Å
26D42.1Very low37.5Very low68 Ų6895.9 Ų95.936%0.36450%0.496SS..Hα-helixtrans-66.6-39.8177.8-71.4-18.6000111.7Q22 M30Q22-D26 WeakPolarHBondContact O-CB 3.38Å; Q22-D26 VanDerWaalsContact O-CG 3.29Å; Q22-D26 PolarHBondContact O-N 3.39Å; D26-M30 WeakPolarHBondContact O-CB 3.36Å; D26-M30 WeakPolarHBondContact O-CG 3.48Å; D26-M30 PolarHBondContact O-N 2.85Å
27R42.7Very low38Very low107 Ų10786.3 Ų86.340%0.40447%0.466SS..Hα-helixtrans-68.3-38.3176.2-73.6177.6-176.7-171.56.4112.6E23 A24 M30 K31 V37 V40E23-R27 VanDerWaalsContact O-CB 3.3Å; E23-R27 WeakPolarHBondContact O-CB 3.32Å; E23-R27 WeakPolarHBondContact O-CG 3.49Å; E23-R27 PolarHBondContact O-N 2.96Å; E23-R27 IonicContact OE1-CZ 3.24Å; E23-R27 IonicContact OE1-NE 2.81Å; E23-R27 PolarHBondContact OE1-NE 3.35Å; E23-R27 IonicContact OE1-NH2 2.74Å; E23-R27 PolarHBondContact OE1-NH2 3.06Å; E23-R27 IonicContact OE2-NH2 3.81Å; A24-R27 PolarHBondContact O-N 3.29Å; R27-M30 PolarHBondContact O-N 3.45Å; R27-K31 PolarHBondContact O-N 3.18Å; R27-V37 HydrophobicContact CG-CG1 4.05Å; R27-V40 HydrophobicContact CG-CB 4.49Å; R27-V40 HydrophobicContact CG-CG2 4.09Å
28E45.9Very low38.2Very low93 Ų9385.5 Ų85.544%0.43548%0.478SS..Hα-helixtrans-70.2-42.5177.6-173.555.6-152.100110.9A24 N25 M30 K31 Q32A24-E28 VanDerWaalsContact O-CB 3.28Å; A24-E28 WeakPolarHBondContact O-CB 3.31Å; A24-E28 PolarHBondContact O-N 3.4Å; N25-E28 PolarHBondContact O-N 2.97Å; E28-M30 VanDerWaalsContact C-N 3.35Å; E28-M30 PolarHBondContact O-N 3.42Å; E28-K31 PolarHBondContact O-N 2.9Å; E28-Q32 WeakPolarHBondContact O-CG 3.49Å; E28-Q32 PolarHBondContact O-N 3.24Å; E28-Q32 PolarHBondContact OE1-NE2 3.09Å
29L42.2Very low38.5Very low84 Ų8490 Ų9044%0.4449%0.491SS..Hα-helixtrans-59-45171.5-174.766.7000111.3N25 K31 Q32 L33N25-L29 VanDerWaalsContact O-CB 3.26Å; N25-L29 WeakPolarHBondContact O-CB 3.34Å; N25-L29 PolarHBondContact O-N 3.07Å; L29-K31 PolarHBondContact O-N 3.37Å; L29-Q32 PolarHBondContact O-N 3.03Å; L29-L33 HydrophobicContact CD1-CD1 4.19Å; L29-L33 HydrophobicContact CG-CD1 3.92Å; L29-L33 WeakPolarHBondContact O-CB 3.44Å; L29-L33 WeakPolarHBondContact O-CG 3.36Å; L29-L33 PolarHBondContact O-N 3.17Å
30M38.9Very low38.2Very low57 Ų5786.5 Ų86.528%0.28147%0.469SS..Hα-helixtrans-64.3-36.5177.4-71-74.4-179.600112.7D26 R27 E28 L33 G34 L35D26-M30 WeakPolarHBondContact O-CB 3.36Å; D26-M30 WeakPolarHBondContact O-CG 3.48Å; D26-M30 PolarHBondContact O-N 2.85Å; R27-M30 PolarHBondContact O-N 3.45Å; E28-M30 VanDerWaalsContact C-N 3.35Å; E28-M30 PolarHBondContact O-N 3.42Å; M30-L33 PolarHBondContact O-N 2.64Å; M30-G34 PolarHBondContact O-N 3.01Å; M30-G34 VanDerWaalsContact O-N 3.15Å; M30-L35 HydrophobicContact CB-CB 4.39Å; M30-L35 PolarHBondContact O-N 2.87Å; M30-L35 HydrophobicContact SD-CB 3.72Å; M30-L35 HydrophobicContact SD-CD1 3.5Å; M30-L35 VanDerWaalsContact SD-CD1 3.5Å; M30-L35 HydrophobicContact SD-CG 4.26Å
31K41Very low38Very low140 Ų14084.3 Ų84.361%0.60947%0.471SS*.Hα-helixtrans-65.5-44.1172.2-85.3-178.9178.4175.30112.3R27 E28 L29 L33 G34 V37R27-K31 PolarHBondContact O-N 3.18Å; E28-K31 PolarHBondContact O-N 2.9Å; L29-K31 PolarHBondContact O-N 3.37Å; K31-L33 PolarHBondContact O-N 3.33Å; K31-G34 PolarHBondContact O-N 3.44Å; K31-V37 HydrophobicContact CG-CG2 4.3Å
32Q40.5Very low37Very low141 Ų14191.8 Ų91.866%0.65949%0.494SS*.Hα-helixtrans-62.7-31.5177-71.61761300112E28 L29E28-Q32 WeakPolarHBondContact O-CG 3.49Å; E28-Q32 PolarHBondContact O-N 3.24Å; E28-Q32 PolarHBondContact OE1-NE2 3.09Å; L29-Q32 PolarHBondContact O-N 3.03Å
33L36.2Very low36.5Very low71 Ų7190.6 Ų90.637%0.37250%0.496SS..THydrogen-bonded Turntrans-88.90.9177.9-64.2171.8000114.2L29 M30 K31 L35 T94L29-L33 HydrophobicContact CD1-CD1 4.19Å; L29-L33 HydrophobicContact CG-CD1 3.92Å; L29-L33 WeakPolarHBondContact O-CB 3.44Å; L29-L33 WeakPolarHBondContact O-CG 3.36Å; L29-L33 PolarHBondContact O-N 3.17Å; M30-L33 PolarHBondContact O-N 2.64Å; K31-L33 PolarHBondContact O-N 3.33Å; L33-L35 VanDerWaalsContact C-N 3.29Å; L33-L35 HydrophobicContact CB-CD1 4.1Å; L33-L35 HydrophobicContact CB-CG 4.22Å; L33-L35 HydrophobicContact CD1-CD1 4.47Å; L33-L35 PolarHBondContact O-N 3.07Å; L33-T94 HydrophobicContact CD2-CG2 4.24Å
34G28.1Very low35.7Very low69 Ų6996 Ų9671%0.71153%0.526SS*.THydrogen-bonded Turntrans69.719.5179.900000115.1M30 K31M30-G34 PolarHBondContact O-N 3.01Å; M30-G34 VanDerWaalsContact O-N 3.15Å; K31-G34 PolarHBondContact O-N 3.44Å
35L34.9Very low34.6Very low69 Ų69102.7 Ų102.736%0.36155%0.546SS..  trans-93.3136.9-177.9-64.1171.1000111.1M30 L33 V37M30-L35 HydrophobicContact CB-CB 4.39Å; M30-L35 PolarHBondContact O-N 2.87Å; M30-L35 HydrophobicContact SD-CB 3.72Å; M30-L35 HydrophobicContact SD-CD1 3.5Å; M30-L35 VanDerWaalsContact SD-CD1 3.5Å; M30-L35 HydrophobicContact SD-CG 4.26Å; L33-L35 VanDerWaalsContact C-N 3.29Å; L33-L35 HydrophobicContact CB-CD1 4.1Å; L33-L35 HydrophobicContact CB-CG 4.22Å; L33-L35 HydrophobicContact CD1-CD1 4.47Å; L33-L35 PolarHBondContact O-N 3.07Å; L35-V37 PolarHBondContact O-N 2.94Å
36P27.3Very low33.4Very low82 Ų82107.7 Ų107.753%0.53256%0.563SS.*  trans-61.9129.4179.8-22.632.4000113A38 F39P36-A38 PolarHBondContact O-N 3.21Å; P36-F39 VanDerWaalsContact O-CD2 3.3Å; P36-F39 WeakPolarHBondContact O-CD2 3.47Å
37V31.3Very low32.5Very low58 Ų58114.1 Ų114.135%0.35258%0.582SS.*G310 helixtrans-59.9-14.4-177.61770000114.4R27 K31 L35 F39 V40R27-V37 HydrophobicContact CG-CG1 4.05Å; K31-V37 HydrophobicContact CG-CG2 4.3Å; L35-V37 PolarHBondContact O-N 2.94Å; V37-F39 PolarHBondContact O-N 2.84Å; V37-V40 PolarHBondContact O-N 2.94Å
38A31.3Very low31.5Very low95 Ų95117.7 Ų117.779%0.78560%0.603SS**G310 helixtrans-63-7-17900000115P36P36-A38 PolarHBondContact O-N 3.21Å
39F35.8Very low30.5Very low154 Ų154118.1 Ų118.168%0.67561%0.614SS**G310 helixtrans-86.5-6.3178.4-72.2-75.1000114.8P36 V37P36-F39 VanDerWaalsContact O-CD2 3.3Å; P36-F39 WeakPolarHBondContact O-CD2 3.47Å; V37-F39 PolarHBondContact O-N 2.84Å
40V30.9Very low29.5Very low31 Ų31124.7 Ų124.719%0.18863%0.633CS.*SBendtrans-94.4115.2174-163.70000109.4E23 R27 V37 R42E23-V40 HydrophobicContact CG-CG1 3.37Å; E23-V40 WeakPolarHBondContact OE1-CG1 3.49Å; R27-V40 HydrophobicContact CG-CB 4.49Å; R27-V40 HydrophobicContact CG-CG2 4.09Å; V37-V40 PolarHBondContact O-N 2.94Å; V40-R42 PolarHBondContact O-N 3.34Å
41G31.2Very low28.9Very low57 Ų57130.2 Ų130.259%0.58866%0.662SS**  trans-63.2126.1-167.900000113.7T43G41-T43 PolarHBondContact O-N 2.91Å
42R22.5Very low27.9Very low229 Ų229131.7 Ų131.786%0.86467%0.671SS**  trans-55.5115.6172.5-69.5-174.6-175.7-168.70.8111.4V40V40-R42 PolarHBondContact O-N 3.34Å
43T28.4Very low27.1Very low108 Ų108127.8 Ų127.866%0.66367%0.669SS**  trans-101.772.9166.150.50000111.7G41 F45G41-T43 PolarHBondContact O-N 2.91Å; T43-F45 PolarHBondContact O-N 2.93Å; T43-F45 VanDerWaalsContact O-N 3.12Å
44D23.4Very low26.6Very low149 Ų149134.8 Ų134.880%0.79770%0.697SS**  trans-81.663.8155.8-80.5-33.3000109
45F24.6Very low26.3Very low190 Ų190137.3 Ų137.383%0.83370%0.703SS**  trans-113.394.7164.2-85.6-79000108.3T43 R47T43-F45 PolarHBondContact O-N 2.93Å; T43-F45 VanDerWaalsContact O-N 3.12Å; F45-R47 PolarHBondContact O-N 3.47Å; F45-R47 VanDerWaalsContact O-N 3.12Å
46K22.9Very low25.8Very low210 Ų210137.4 Ų137.491%0.91372%0.721SS**PPolyproline II helixtrans-49.3117.9170.2-73.8-179.1174.6-1800109.3H48K46-H48 PolarHBondContact O-N 3.16Å
47R21.7Very low25.6Very low203 Ų203140.9 Ų140.977%0.76674%0.735SS**PPolyproline II helixtrans-49.9119.3173.9-68177.8178.4172.51.8109.9F45F45-R47 PolarHBondContact O-N 3.47Å; F45-R47 VanDerWaalsContact O-N 3.12Å
48H22.9Very low25.1Very low182 Ų182143.7 Ų143.784%0.84375%0.752SS**PPolyproline II helixtrans-84.1143.6162.6-147.3-85.3000108.4K46K46-H48 PolarHBondContact O-N 3.16Å
49P25.4Very low24.6Very low102 Ų102146.1 Ų146.166%0.66275%0.752SS**PPolyproline II helixtrans-72.5143-158.8-16.431.6000113.7I51P49-I51 PolarHBondContact O-N 3.05Å
50R21Very low24Very low222 Ų222145 Ų14584%0.83876%0.758SS**PPolyproline II helixtrans-49.4128.8170.2-72.9174.6170.7169.2-4.5110.9E52R50-E52 HydrophobicContact CB-CG 4.49Å; R50-E52 PolarHBondContact O-N 3.16Å
51I25Very low23.6Very low172 Ų172151.6 Ų151.688%0.88279%0.791SS**  trans-80.898.3156.1-62.3175.6000105.2P49P49-I51 PolarHBondContact O-N 3.05Å
52E21.6Very low23.1Very low171 Ų171154.3 Ų154.380%0.79980%0.8SS**  trans-71.4136.6166.2-69.4179.5160.800109.2R50R50-E52 HydrophobicContact CB-CG 4.49Å; R50-E52 PolarHBondContact O-N 3.16Å
53G23.6Very low23.1Very low60 Ų60148.8 Ų148.862%0.61980%0.797SS**  trans139.386.7168.200000111.7
54F24.8Very low22.9Very low218 Ų218150.3 Ų150.396%0.95681%0.806SS**  -176.475.3129.5-97.4-71.6000107.4
55S21.2Very low23Very low121 Ų121152.4 Ų152.485%0.84681%0.811SS**  trans-79.1128.9153.345.80000107.7
56G24.4Very low23.2Very low71 Ų71152.3 Ų152.373%0.73281%0.813SS**  trans176.882.4-18000000113.6
57N23.2Very low23.3Very low156 Ų156149.1 Ų149.183%0.83481%0.806SS**  trans31.5123.6147-71.4-8000121.9
58T22.1Very low23.6Very low116 Ų116145.6 Ų145.671%0.71280%0.802SS**  trans-8.8143132.647.30000119.1
59D21.1Very low23.8Very low146 Ų146141.9 Ų141.978%0.78179%0.792SS**  trans89.4128.1157.8-61.6-27.8000118.9
60T23Very low23.8Very low130 Ų130143.3 Ų143.380%0.79879%0.794SS**  trans71.8103.8166.233.60000118.9
61L22.1Very low24Very low171 Ų171141.6 Ų141.690%0.89579%0.788SS**  -179.9131.5106.9-93.9156.3000111.5
62C20.9Very low23.9Very low114 Ų114136.6 Ų136.677%0.7777%0.772SS**  trans-63.9162.2162.4-72.90000111
63S21.2Very low24Very low113 Ų113137.1 Ų137.179%0.7977%0.768SS**  trans68.791.8165.367.30000117.7
64T25.3Very low23.9Very low139 Ų139138.4 Ų138.485%0.85377%0.766SS**  -153.2121.5129.439.90000108.8E66T64-E66 PolarHBondContact O-N 3.43Å
65E25.9Very low23.8Very low194 Ų194132.1 Ų132.191%0.90775%0.748SS**  trans-61.9115.3166.6-61.5171.414700108.3
66E27.4Very low23.8Very low187 Ų187130.7 Ų130.787%0.87474%0.737SS**  trans179.1-10.1148.9-102.7171.9178.900115.3T64T64-E66 PolarHBondContact O-N 3.43Å
67D26.4Very low23.7Very low144 Ų144132.4 Ų132.477%0.7773%0.733SS**  trans-101.515.4-167.7-77.4-25.7000118.4
68D27.9Very low23.8Very low129 Ų129128.3 Ų128.369%0.6972%0.717SS**SBendtrans-9710.8-175.3-105.5-18.8000116.3
69V27Very low23.9Very low103 Ų103126.6 Ų126.662%0.62471%0.714SS**Hα-helixtrans-90.9-29174.6-171.60000112.5
70D25.7Very low24.4Very low133 Ų133124.8 Ų124.871%0.71170%0.704SS**Hα-helixtrans-77.4-22.4-177.8-84.6-19.4000113.6C74D70-C74 WeakPolarHBondContact O-CB 3.35Å; D70-C74 PolarHBondContact O-N 3.34Å; D70-C74 VanDerWaalsContact O-N 3.09Å
71R24.4Very low24.8Very low186 Ų186125.1 Ų125.170%0.70270%0.697SS**Hα-helixtrans-74.1-35.6173.3-87.1-177.7-166170.98.1113.6Y73 C74 C75R71-Y73 VanDerWaalsContact C-N 3.34Å; R71-Y73 PolarHBondContact O-N 3.22Å; R71-C74 PolarHBondContact O-N 2.93Å; R71-C75 WeakPolarHBondContact O-CB 3.27Å; R71-C75 PolarHBondContact O-N 2.87Å; R71-C75 VanDerWaalsContact O-N 3.09Å; R71-C75 PolarHBondContact O-SG 3.01Å; R71-C75 VanDerWaalsContact O-SG 3.4Å
72A23.2Very low25.6Very low66 Ų66121.9 Ų121.955%0.54569%0.686SS.*Hα-helixtrans-68.9-33-178.800000112.4
73Y23.3Very low26.7Very low183 Ų183118.4 Ų118.472%0.71867%0.67SS**Hα-helixtrans-85.4-29.9175.6-107.3-91.3000113.3R71 C76R71-Y73 VanDerWaalsContact C-N 3.34Å; R71-Y73 PolarHBondContact O-N 3.22Å; Y73-C76 PolarHBondContact O-N 3.31Å
74C22.5Very low28Very low86 Ų86117 Ų11758%0.58166%0.658SS**Hα-helixtrans-73.9-24.6176.7-157.60000113.1D70 R71 S78D70-C74 WeakPolarHBondContact O-CB 3.35Å; D70-C74 PolarHBondContact O-N 3.34Å; D70-C74 VanDerWaalsContact O-N 3.09Å; R71-C74 PolarHBondContact O-N 2.93Å; C74-S78 WeakPolarHBondContact O-CB 3.17Å; C74-S78 PolarHBondContact O-N 3.48Å; C74-S78 PolarHBondContact O-OG 3.11Å
75C20.9Very low29Very low86 Ų86112 Ų11258%0.58163%0.625SS**Hα-helixtrans-73.2-22.4174.2-77.40000114.5R71R71-C75 WeakPolarHBondContact O-CB 3.27Å; R71-C75 PolarHBondContact O-N 2.87Å; R71-C75 VanDerWaalsContact O-N 3.09Å; R71-C75 PolarHBondContact O-SG 3.01Å; R71-C75 VanDerWaalsContact O-SG 3.4Å
76C22.1Very low30.2Very low91 Ų91106.4 Ų106.462%0.61560%0.599SS**Hα-helixtrans-91.3-23.5-179.2-68.20000113.6Y73Y73-C76 PolarHBondContact O-N 3.31Å
77V22.9Very low31.6Very low107 Ų107100 Ų10065%0.64858%0.578SS**Hα-helixtrans-90.4-24.5178.4-171.60000111.9A79V77-A79 VanDerWaalsContact C-N 3.34Å
78S24.3Very low33.1Very low71 Ų7198.5 Ų98.550%0.49757%0.57SS.*THydrogen-bonded Turntrans-78.5-13.5175.952.80000114.5C74 L80 Q81C74-S78 WeakPolarHBondContact O-CB 3.17Å; C74-S78 PolarHBondContact O-N 3.48Å; C74-S78 PolarHBondContact O-OG 3.11Å; S78-L80 VanDerWaalsContact C-N 3.35Å; S78-Q81 PolarHBondContact O-NE2 3.38Å
79A25Very low34.6Very low79 Ų7993.3 Ų93.365%0.65354%0.541SS*.THydrogen-bonded Turntrans-79.8-12.917600000113.9V77 Q81V77-A79 VanDerWaalsContact C-N 3.34Å; A79-Q81 VanDerWaalsContact C-N 3.34Å; A79-Q81 PolarHBondContact O-N 3.48Å
80L31.5Very low36.3Very low109 Ų10991.8 Ų91.857%0.57153%0.529SS*.  trans-81.879.7174.2-83.4119000109.9S78 P82S78-L80 VanDerWaalsContact C-N 3.35Å; L80-P82 VanDerWaalsContact O-CD 3.31Å; L80-P82 WeakPolarHBondContact O-CD 3.49Å
81Q30.8Very low38.3Very low137 Ų13789.1 Ų89.164%0.6452%0.521SS*.  trans-87.4113.1166-64.7-66.2-42.500107.8S78 A79 G83 P84S78-Q81 PolarHBondContact O-NE2 3.38Å; A79-Q81 VanDerWaalsContact C-N 3.34Å; A79-Q81 PolarHBondContact O-N 3.48Å; Q81-G83 PolarHBondContact O-N 2.97Å; Q81-P84 WeakPolarHBondContact O-CD 3.27Å
82P38.9Very low40.5Very low102 Ų10281.8 Ų81.866%0.66249%0.494SS*.SBendtrans-58.9-12.9168.2-1931.1000112.8L80 I85 Q86L80-P82 VanDerWaalsContact O-CD 3.31Å; L80-P82 WeakPolarHBondContact O-CD 3.49Å; P82-I85 PolarHBondContact O-N 3.37Å; P82-Q86 VanDerWaalsContact O-CB 3.3Å; P82-Q86 WeakPolarHBondContact O-CB 3.37Å; P82-Q86 PolarHBondContact O-N 2.76Å
83G44.8Very low42.9Very low42 Ų4281 Ų8143%0.43348%0.477SS..Hα-helixtrans-50.3-53-17300000116.1Q81 I85 A87Q81-G83 PolarHBondContact O-N 2.97Å; G83-I85 VanDerWaalsContact C-N 3.35Å; G83-I85 PolarHBondContact O-N 3.47Å; G83-A87 WeakPolarHBondContact O-CB 3.19Å; G83-A87 PolarHBondContact O-N 3.23Å
84P47.3Very low45.4Very low83 Ų8376.7 Ų76.754%0.53947%0.47SS..Hα-helixtrans-65.2-37.9-173.2-22.634.2000112.9Q81 A87 L88Q81-P84 WeakPolarHBondContact O-CD 3.27Å; P84-A87 WeakPolarHBondContact O-CB 3.38Å; P84-A87 PolarHBondContact O-N 3.31Å; P84-L88 WeakPolarHBondContact O-CG 3.31Å; P84-L88 PolarHBondContact O-N 3.3Å
85I46.7Very low48Very low34 Ų3478.7 Ų78.717%0.17447%0.469CS..Hα-helixtrans-86.4-37.3-175.2-54.7172000111.3P82 G83 A87 L88 F89 F182 V186 H190P82-I85 PolarHBondContact O-N 3.37Å; G83-I85 VanDerWaalsContact C-N 3.35Å; G83-I85 PolarHBondContact O-N 3.47Å; I85-A87 PolarHBondContact O-N 3.2Å; I85-L88 WeakPolarHBondContact O-CB 3.3Å; I85-L88 PolarHBondContact O-N 2.93Å; I85-L88 VanDerWaalsContact O-N 3.14Å; I85-F89 PolarHBondContact O-N 3.48Å; I85-F182 HydrophobicContact CB-CE1 4.49Å; I85-F182 HydrophobicContact CG2-CD1 4.4Å; I85-F182 HydrophobicContact CG2-CE1 3.26Å; I85-F182 HydrophobicContact CG2-CZ 3.44Å; I85-F182 VanDerWaalsContact CG2-CZ 3.44Å; I85-F182 VanDerWaalsContact O-CE1 3.26Å; I85-F182 WeakPolarHBondContact O-CE1 3.06Å; I85-F182 WeakPolarHBondContact O-CZ 3.34Å; I85-V186 HydrophobicContact CB-CG2 4.14Å; I85-V186 HydrophobicContact CD1-CG1 4.15Å; I85-V186 HydrophobicContact CD1-CG2 4.35Å; I85-V186 HydrophobicContact CG2-CG2 3.26Å; I85-H190 WeakPolarHBondContact CD1-NE2 3.44Å
86Q51.6Low51Low77 Ų7775.9 Ų75.936%0.3645%0.446SS..Hα-helixtrans-57.9-37.8165.4-172.863.849.200110.9P82 F89 N90P82-Q86 VanDerWaalsContact O-CB 3.3Å; P82-Q86 WeakPolarHBondContact O-CB 3.37Å; P82-Q86 PolarHBondContact O-N 2.76Å; Q86-F89 PolarHBondContact O-N 3.37Å; Q86-N90 PolarHBondContact NE2-OD1 3.33Å; Q86-N90 VanDerWaalsContact O-CB 3.26Å; Q86-N90 WeakPolarHBondContact O-CB 3.34Å; Q86-N90 PolarHBondContact O-N 2.93Å; Q86-N90 PolarHBondContact O-ND2 3.32Å; Q86-N90 PolarHBondContact O-OD1 3.1Å
87A57.1Low53.7Low52 Ų5271.6 Ų71.643%0.4342%0.418SS..Hα-helixtrans-66.5-39174.500000112.4G83 P84 I85 N90 S91G83-A87 WeakPolarHBondContact O-CB 3.19Å; G83-A87 PolarHBondContact O-N 3.23Å; P84-A87 WeakPolarHBondContact O-CB 3.38Å; P84-A87 PolarHBondContact O-N 3.31Å; I85-A87 PolarHBondContact O-N 3.2Å; A87-N90 PolarHBondContact O-N 3.07Å; A87-S91 WeakPolarHBondContact O-CB 3.46Å; A87-S91 PolarHBondContact O-N 3.04Å
88L56.4Low56.7Low113 Ų11370.9 Ų70.959%0.59241%0.407SS*.Hα-helixtrans-62-46.1172.5-76.8164.3000111.6P84 I85 S91 F92 F182P84-L88 WeakPolarHBondContact O-CG 3.31Å; P84-L88 PolarHBondContact O-N 3.3Å; I85-L88 WeakPolarHBondContact O-CB 3.3Å; I85-L88 PolarHBondContact O-N 2.93Å; I85-L88 VanDerWaalsContact O-N 3.14Å; L88-S91 PolarHBondContact O-N 2.9Å; L88-F92 WeakPolarHBondContact O-CB 3.35Å; L88-F92 PolarHBondContact O-N 3.27Å; L88-F182 HydrophobicContact CB-CZ 4.38Å
89F60Low59.6Low20 Ų2070.1 Ų70.19%0.08840%0.396CS..Hα-helixtrans-61.1-49.8173.8178.1-102.3000111.5I85 Q86 S91 F92 W93 A179 F182I85-F89 PolarHBondContact O-N 3.48Å; Q86-F89 PolarHBondContact O-N 3.37Å; F89-S91 VanDerWaalsContact C-N 3.25Å; F89-S91 PolarHBondContact O-N 2.68Å; F89-F92 PolarHBondContact O-N 2.9Å; F89-W93 HydrophobicContact CD1-CB 4.43Å; F89-W93 HydrophobicContact CE1-CB 4.11Å; F89-W93 HydrophobicContact CE1-CD2 4.47Å; F89-W93 HydrophobicContact CE1-CG 4.21Å; F89-W93 HydrophobicContact CE2-CE3 4.05Å; F89-W93 HydrophobicContact CZ-CB 4.19Å; F89-W93 AromaticContact CZ-CD2 3.96Å; F89-W93 HydrophobicContact CZ-CD2 3.96Å; F89-W93 AromaticContact CZ-CE3 3.78Å; F89-W93 HydrophobicContact CZ-CE3 3.78Å; F89-W93 HydrophobicContact CZ-CG 4.14Å; F89-W93 WeakPolarHBondContact O-CB 3.47Å; F89-W93 PolarHBondContact O-N 3.09Å; F89-A179 HydrophobicContact CE1-CB 4.49Å; F89-A179 HydrophobicContact CZ-CB 4.02Å; F89-F182 HydrophobicContact CB-CD1 3.68Å; F89-F182 HydrophobicContact CB-CD2 4.35Å; F89-F182 HydrophobicContact CB-CE1 3.4Å; F89-F182 VanDerWaalsContact CB-CE1 3.4Å; F89-F182 HydrophobicContact CB-CE2 4.13Å; F89-F182 HydrophobicContact CB-CG 4.14Å; F89-F182 HydrophobicContact CB-CZ 3.64Å; F89-F182 HydrophobicContact CD2-CB 3.87Å; F89-F182 AromaticContact CD2-CD1 3.97Å; F89-F182 HydrophobicContact CD2-CD1 3.97Å; F89-F182 AromaticContact CD2-CD2 3.87Å; F89-F182 HydrophobicContact CD2-CD2 3.87Å; F89-F182 HydrophobicContact CD2-CE1 4.45Å; F89-F182 HydrophobicContact CD2-CE2 4.38Å; F89-F182 AromaticContact CD2-CG 3.63Å; F89-F182 HydrophobicContact CD2-CG 3.63Å; F89-F182 HydrophobicContact CE2-CB 4.25Å; F89-F182 HydrophobicContact CE2-CG 4.47Å; F89-F182 HydrophobicContact CG-CD1 4.07Å; F89-F182 HydrophobicContact CG-CE1 4.29Å; F89-F182 HydrophobicContact CG-CG 4.21Å
90N63.3Low62.4Low70 Ų7066.4 Ų66.437%0.37437%0.365SS..Hα-helixtrans-60.4-39.7-179.6-71.3-7.9000110.5Q86 A87 T94Q86-N90 PolarHBondContact NE2-OD1 3.33Å; Q86-N90 VanDerWaalsContact O-CB 3.26Å; Q86-N90 WeakPolarHBondContact O-CB 3.34Å; Q86-N90 PolarHBondContact O-N 2.93Å; Q86-N90 PolarHBondContact O-ND2 3.32Å; Q86-N90 PolarHBondContact O-OD1 3.1Å; A87-N90 PolarHBondContact O-N 3.07Å; N90-T94 WeakPolarHBondContact O-CB 3.17Å; N90-T94 PolarHBondContact O-N 2.95Å; N90-T94 PolarHBondContact O-OG1 3.4Å
91S67.6Low64.9Low77 Ų7761.6 Ų61.654%0.53834%0.34SS..Hα-helixtrans-63.5-49.2175.5-175.80000111.7A87 L88 F89 K95A87-S91 WeakPolarHBondContact O-CB 3.46Å; A87-S91 PolarHBondContact O-N 3.04Å; L88-S91 PolarHBondContact O-N 2.9Å; F89-S91 VanDerWaalsContact C-N 3.25Å; F89-S91 PolarHBondContact O-N 2.68Å; S91-K95 WeakPolarHBondContact O-CB 3.36Å; S91-K95 PolarHBondContact O-N 3.45Å; S91-K95 VanDerWaalsContact O-N 3.1Å
92F70.5Confident67.6Low33 Ų3356.4 Ų56.415%0.14532%0.316CS..Hα-helixtrans-58.7-51174.9172-92.6000111.3L88 F89 T94 K95 W96 L100 M132 I135L88-F92 WeakPolarHBondContact O-CB 3.35Å; L88-F92 PolarHBondContact O-N 3.27Å; F89-F92 PolarHBondContact O-N 2.9Å; F92-T94 PolarHBondContact O-N 2.86Å; F92-K95 PolarHBondContact O-N 2.93Å; F92-W96 HydrophobicContact CD2-CB 4.36Å; F92-W96 HydrophobicContact CE2-CB 4.03Å; F92-W96 HydrophobicContact CE2-CG 4.46Å; F92-W96 HydrophobicContact CZ-CB 4.18Å; F92-W96 WeakPolarHBondContact O-CA 3.39Å; F92-W96 WeakPolarHBondContact O-CB 3.14Å; F92-W96 PolarHBondContact O-N 3.31Å; F92-L100 HydrophobicContact CE1-CD2 4.38Å; F92-M132 HydrophobicContact CE2-CE 3.5Å; F92-M132 HydrophobicContact CZ-CE 3.52Å; F92-I135 HydrophobicContact CE2-CD1 4.41Å
93W74Confident69.9Low48 Ų4851.9 Ų51.918%0.18229%0.286CS..Hα-helixtrans-64.9-41.4-176.1-168.1-97.2000111.8F89 K95 G97 L100 I101 V174 G175 C178F89-W93 HydrophobicContact CD1-CB 4.43Å; F89-W93 HydrophobicContact CE1-CB 4.11Å; F89-W93 HydrophobicContact CE1-CD2 4.47Å; F89-W93 HydrophobicContact CE1-CG 4.21Å; F89-W93 HydrophobicContact CE2-CE3 4.05Å; F89-W93 HydrophobicContact CZ-CB 4.19Å; F89-W93 AromaticContact CZ-CD2 3.96Å; F89-W93 HydrophobicContact CZ-CD2 3.96Å; F89-W93 AromaticContact CZ-CE3 3.78Å; F89-W93 HydrophobicContact CZ-CE3 3.78Å; F89-W93 HydrophobicContact CZ-CG 4.14Å; F89-W93 WeakPolarHBondContact O-CB 3.47Å; F89-W93 PolarHBondContact O-N 3.09Å; W93-K95 VanDerWaalsContact C-N 3.29Å; W93-K95 PolarHBondContact O-N 3.31Å; W93-G97 VanDerWaalsContact O-CA 3.28Å; W93-G97 WeakPolarHBondContact O-CA 3.43Å; W93-G97 PolarHBondContact O-N 3.24Å; W93-L100 HydrophobicContact CZ3-CD2 4.4Å; W93-I101 HydrophobicContact CH2-CD1 4.37Å; W93-I101 HydrophobicContact CH2-CG1 4.49Å; W93-I101 HydrophobicContact CZ2-CD1 4.16Å; W93-V174 HydrophobicContact CH2-CG1 4.31Å; W93-G175 VanDerWaalsContact CH2-CA 3.41Å; W93-C178 HydrophobicContact CE3-CB 4.43Å; W93-C178 HydrophobicContact CH2-CB 4.48Å; W93-C178 HydrophobicContact CZ3-CB 3.72Å
94T74.8Confident71.8Confident94 Ų9450 Ų5058%0.57727%0.267SS*.Hα-helixtrans-62.9-37.5175.9-59.10000111.5L33 N90 F92L33-T94 HydrophobicContact CD2-CG2 4.24Å; N90-T94 WeakPolarHBondContact O-CB 3.17Å; N90-T94 PolarHBondContact O-N 2.95Å; N90-T94 PolarHBondContact O-OG1 3.4Å; F92-T94 PolarHBondContact O-N 2.86Å
95K78.4Confident73.7Confident128 Ų12847.3 Ų47.356%0.55725%0.246SC*.Hα-helixtrans-85.3-36.5-177-169.3173.8177.8-1800113.5S91 F92 W93 Q99S91-K95 WeakPolarHBondContact O-CB 3.36Å; S91-K95 PolarHBondContact O-N 3.45Å; S91-K95 VanDerWaalsContact O-N 3.1Å; F92-K95 PolarHBondContact O-N 2.93Å; W93-K95 VanDerWaalsContact C-N 3.29Å; W93-K95 PolarHBondContact O-N 3.31Å; K95-Q99 PolarHBondContact O-OE1 2.87Å
96W82Confident75.6Confident27 Ų2746.5 Ų46.510%0.10224%0.242CC..Hα-helixtrans-132.7-6.9-164.3-64123.6000115.4F92 Q98 Q99 L100 F128 H131F92-W96 HydrophobicContact CD2-CB 4.36Å; F92-W96 HydrophobicContact CE2-CB 4.03Å; F92-W96 HydrophobicContact CE2-CG 4.46Å; F92-W96 HydrophobicContact CZ-CB 4.18Å; F92-W96 WeakPolarHBondContact O-CA 3.39Å; F92-W96 WeakPolarHBondContact O-CB 3.14Å; F92-W96 PolarHBondContact O-N 3.31Å; W96-Q98 VanDerWaalsContact C-N 3.28Å; W96-Q98 PolarHBondContact O-N 3.16Å; W96-Q99 VanDerWaalsContact C-OE1 3.32Å; W96-Q99 VanDerWaalsContact CA-OE1 3.22Å; W96-Q99 HydrophobicContact CE3-CB 4.28Å; W96-Q99 HydrophobicContact CE3-CG 4.04Å; W96-Q99 HydrophobicContact CZ3-CG 4.38Å; W96-Q99 PolarHBondContact O-N 2.92Å; W96-Q99 VanDerWaalsContact O-N 3.11Å; W96-Q99 PolarHBondContact O-OE1 3.37Å; W96-L100 PolarHBondContact O-N 2.92Å; W96-F128 HydrophobicContact CB-CD2 4.03Å; W96-F128 HydrophobicContact CB-CE2 3.78Å; W96-F128 AromaticContact CD2-CD2 3.82Å; W96-F128 HydrophobicContact CD2-CD2 3.82Å; W96-F128 HydrophobicContact CD2-CE2 4.43Å; W96-F128 HydrophobicContact CE3-CB 3.92Å; W96-F128 AromaticContact CE3-CD2 3.43Å; W96-F128 HydrophobicContact CE3-CD2 3.43Å; W96-F128 VanDerWaalsContact CE3-CD2 3.43Å; W96-F128 HydrophobicContact CE3-CE2 4.35Å; W96-F128 HydrophobicContact CE3-CG 4.12Å; W96-F128 HydrophobicContact CG-CD2 4.12Å; W96-F128 HydrophobicContact CG-CE2 4.25Å; W96-F128 HydrophobicContact CZ3-CB 3.72Å; W96-F128 HydrophobicContact CZ3-CD2 4.05Å; W96-F128 HydrophobicContact CZ3-CG 4.4Å; W96-H131 AromaticContact CD1-CD2 3.67Å; W96-H131 AromaticContact CD1-NE2 3.68Å; W96-H131 AromaticContact CE2-CD2 3.25Å; W96-H131 AromaticContact CE2-CG 3.57Å; W96-H131 AromaticContact CE2-NE2 3.7Å; W96-H131 HydrophobicContact CH2-CB 3.77Å; W96-H131 HydrophobicContact CZ2-CB 3.44Å; W96-H131 VanDerWaalsContact CZ2-CB 3.44Å; W96-H131 AromaticContact CZ2-CD2 3.52Å; W96-H131 AromaticContact CZ2-CG 3.28Å; W96-H131 AromaticContact CZ2-ND1 3.81Å; W96-H131 AromaticContact NE1-CD2 2.94Å; W96-H131 PolarHBondContact NE1-CD2 3.41Å; W96-H131 AromaticContact NE1-CE1 3.68Å; W96-H131 AromaticContact NE1-CG 3.65Å; W96-H131 AromaticContact NE1-NE2 2.93Å; W96-H131 PolarHBondContact NE1-NE2 3.35Å
97G79.3Confident77.2Confident1 Ų146.6 Ų46.61%0.0124%0.242CC..Hα-helixtrans-58.5-40.3-177.600000112.5W93 Q99 L100 I101W93-G97 VanDerWaalsContact O-CA 3.28Å; W93-G97 WeakPolarHBondContact O-CA 3.43Å; W93-G97 PolarHBondContact O-N 3.24Å; G97-Q99 PolarHBondContact O-N 2.84Å; G97-L100 PolarHBondContact O-N 3.08Å; G97-I101 VanDerWaalsContact O-CG1 3.3Å; G97-I101 WeakPolarHBondContact O-CG1 3.39Å; G97-I101 PolarHBondContact O-N 3.45Å
98Q85.5Confident78.4Confident92 Ų9247.6 Ų47.643%0.4324%0.239SC..Hα-helixtrans-65.9-37.8177.1-173.258.358.500112.5W96 I101 N102W96-Q98 VanDerWaalsContact C-N 3.28Å; W96-Q98 PolarHBondContact O-N 3.16Å; Q98-I101 WeakPolarHBondContact O-CB 3.34Å; Q98-I101 PolarHBondContact O-N 2.95Å; Q98-N102 PolarHBondContact NE2-OD1 3.2Å; Q98-N102 WeakPolarHBondContact O-CB 3.44Å; Q98-N102 PolarHBondContact O-N 3.19Å; Q98-N102 PolarHBondContact O-OD1 3.43Å
99Q86.8Confident79.8Confident55 Ų5542.7 Ų42.726%0.25721%0.213SC..Hα-helixtrans-71-35.1178.9-66.879-5.500110.8K95 W96 G97 N102 L103 L125 F128K95-Q99 PolarHBondContact O-OE1 2.87Å; W96-Q99 VanDerWaalsContact C-OE1 3.32Å; W96-Q99 VanDerWaalsContact CA-OE1 3.22Å; W96-Q99 HydrophobicContact CE3-CB 4.28Å; W96-Q99 HydrophobicContact CE3-CG 4.04Å; W96-Q99 HydrophobicContact CZ3-CG 4.38Å; W96-Q99 PolarHBondContact O-N 2.92Å; W96-Q99 VanDerWaalsContact O-N 3.11Å; W96-Q99 PolarHBondContact O-OE1 3.37Å; G97-Q99 PolarHBondContact O-N 2.84Å; Q99-N102 PolarHBondContact O-N 3.43Å; Q99-L103 VanDerWaalsContact O-CB 3.3Å; Q99-L103 WeakPolarHBondContact O-CB 3.24Å; Q99-L103 PolarHBondContact O-N 3.24Å; Q99-L125 HydrophobicContact CB-CD2 4.07Å; Q99-L125 WeakPolarHBondContact O-CD2 3.3Å; Q99-F128 HydrophobicContact CB-CB 3.69Å; Q99-F128 HydrophobicContact CB-CD1 3.85Å; Q99-F128 HydrophobicContact CB-CD2 3.77Å; Q99-F128 HydrophobicContact CB-CE1 4.35Å; Q99-F128 HydrophobicContact CB-CE2 4.25Å; Q99-F128 HydrophobicContact CB-CG 3.5Å; Q99-F128 HydrophobicContact CG-CB 4.06Å; Q99-F128 HydrophobicContact CG-CG 4.38Å
100L82.8Confident80.9Confident1 Ų141.8 Ų41.81%0.00521%0.209CC..Hα-helixtrans-63.9-45.3172-179.552.9000112.1F92 W93 W96 G97 L103 L104 F128 F142 L145 L149 V174 C178F92-L100 HydrophobicContact CE1-CD2 4.38Å; W93-L100 HydrophobicContact CZ3-CD2 4.4Å; W96-L100 PolarHBondContact O-N 2.92Å; G97-L100 PolarHBondContact O-N 3.08Å; L100-L103 PolarHBondContact O-N 2.89Å; L100-L104 PolarHBondContact O-N 3.39Å; L100-F128 HydrophobicContact CB-CE1 4.38Å; L100-F128 HydrophobicContact CB-CZ 3.78Å; L100-F128 HydrophobicContact CD1-CE1 4.49Å; L100-F128 HydrophobicContact CD1-CZ 4.16Å; L100-F142 HydrophobicContact CD1-CE2 3.59Å; L100-F142 HydrophobicContact CD1-CZ 3.6Å; L100-L145 HydrophobicContact CD2-CD2 3.98Å; L100-L149 HydrophobicContact CD1-CD1 4.15Å; L100-V174 HydrophobicContact CD2-CG1 4.41Å; L100-V174 HydrophobicContact CG-CG1 4.06Å; L100-C178 WeakPolarHBondContact CD2-SG 3.47Å
101I83.4Confident81.9Confident7 Ų747.4 Ų47.44%0.03623%0.234CC..Hα-helixtrans-56.6-51.5172.7-70.9164.9000109.6W93 G97 Q98 L103 L104 W105 W167 H170 V171 V174W93-I101 HydrophobicContact CH2-CD1 4.37Å; W93-I101 HydrophobicContact CH2-CG1 4.49Å; W93-I101 HydrophobicContact CZ2-CD1 4.16Å; G97-I101 VanDerWaalsContact O-CG1 3.3Å; G97-I101 WeakPolarHBondContact O-CG1 3.39Å; G97-I101 PolarHBondContact O-N 3.45Å; Q98-I101 WeakPolarHBondContact O-CB 3.34Å; Q98-I101 PolarHBondContact O-N 2.95Å; I101-L103 VanDerWaalsContact C-N 3.32Å; I101-L103 PolarHBondContact O-N 2.93Å; I101-L104 PolarHBondContact O-N 2.89Å; I101-W105 WeakPolarHBondContact O-CB 3.47Å; I101-W105 PolarHBondContact O-N 3.44Å; I101-W167 HydrophobicContact CG2-CH2 3.57Å; I101-W167 HydrophobicContact CG2-CZ2 4.02Å; I101-W167 HydrophobicContact CG2-CZ3 4.14Å; I101-H170 PolarHBondContact O-NE2 3.33Å; I101-V171 HydrophobicContact CD1-CG1 4.04Å; I101-V171 HydrophobicContact CD1-CG2 4.42Å; I101-V171 HydrophobicContact CG2-CG2 3.81Å; I101-V174 HydrophobicContact CG1-CB 4.04Å; I101-V174 HydrophobicContact CG1-CG1 3.89Å
102N88.5Confident82.8Confident29 Ų2949.4 Ų49.416%0.15524%0.236CC..Hα-helixtrans-61.5-38.7-179.4-74.41.2000112.8Q98 Q99 W105 L106 L121 L125 W167Q98-N102 PolarHBondContact NE2-OD1 3.2Å; Q98-N102 WeakPolarHBondContact O-CB 3.44Å; Q98-N102 PolarHBondContact O-N 3.19Å; Q98-N102 PolarHBondContact O-OD1 3.43Å; Q99-N102 PolarHBondContact O-N 3.43Å; N102-W105 PolarHBondContact O-N 3.38Å; N102-L106 WeakPolarHBondContact O-CB 3.45Å; N102-L106 PolarHBondContact O-N 3.05Å; N102-L121 HydrophobicContact CB-CD1 3.85Å; N102-L125 HydrophobicContact CB-CD2 3.76Å; N102-L125 HydrophobicContact CB-CG 4.48Å; N102-W167 WeakPolarHBondContact OD1-CH2 3.48Å
103L87.1Confident83.5Confident6 Ų649.6 Ų49.63%0.03124%0.238CC..Hα-helixtrans-63.4-50.6177.117665.3000111Q99 L100 I101 W105 L106 E107 L125 F128 R129 F142Q99-L103 VanDerWaalsContact O-CB 3.3Å; Q99-L103 WeakPolarHBondContact O-CB 3.24Å; Q99-L103 PolarHBondContact O-N 3.24Å; L100-L103 PolarHBondContact O-N 2.89Å; I101-L103 VanDerWaalsContact C-N 3.32Å; I101-L103 PolarHBondContact O-N 2.93Å; L103-W105 VanDerWaalsContact C-N 3.27Å; L103-W105 PolarHBondContact O-N 3.41Å; L103-L106 PolarHBondContact O-N 2.98Å; L103-E107 PolarHBondContact O-N 3.28Å; L103-L125 HydrophobicContact CB-CD1 4.17Å; L103-L125 HydrophobicContact CB-CD2 4.21Å; L103-L125 HydrophobicContact CD1-CD1 4.19Å; L103-F128 HydrophobicContact CB-CD1 4.47Å; L103-F128 HydrophobicContact CB-CE1 4.09Å; L103-F128 HydrophobicContact CD2-CD1 4.31Å; L103-F128 HydrophobicContact CD2-CE1 3.72Å; L103-R129 VanDerWaalsContact CD1-CZ 3.47Å; L103-F142 HydrophobicContact CD2-CE1 3.93Å; L103-F142 HydrophobicContact CD2-CZ 3.92Å
104L85.1Confident84Confident3 Ų353.4 Ų53.42%0.01626%0.261CS..Hα-helixtrans-66.5-33.9178.9-166.972000111L100 I101 E107 M108 L149 R150 Y153 H170 Y173 V174L100-L104 PolarHBondContact O-N 3.39Å; I101-L104 PolarHBondContact O-N 2.89Å; L104-E107 PolarHBondContact O-N 3.49Å; L104-M108 HydrophobicContact CD1-CG 4.18Å; L104-M108 HydrophobicContact CG-CG 4.03Å; L104-M108 WeakPolarHBondContact O-CB 3.38Å; L104-M108 VanDerWaalsContact O-CG 3.26Å; L104-M108 WeakPolarHBondContact O-CG 3.44Å; L104-M108 PolarHBondContact O-N 2.85Å; L104-L149 HydrophobicContact CD1-CB 4.13Å; L104-L149 HydrophobicContact CD2-CB 3.97Å; L104-L149 HydrophobicContact CD2-CD2 4.49Å; L104-R150 HydrophobicContact CD1-CG 3.99Å; L104-Y153 HydrophobicContact CD2-CD2 4Å; L104-Y153 HydrophobicContact CD2-CE2 4.43Å; L104-H170 VanDerWaalsContact C-CE1 3.49Å; L104-Y173 HydrophobicContact CD2-CD1 4.4Å; L104-Y173 HydrophobicContact CD2-CE1 4.22Å; L104-V174 HydrophobicContact CB-CG2 4.34Å; L104-V174 HydrophobicContact CD2-CG2 3.39Å; L104-V174 HydrophobicContact CG-CG2 4.46Å
105W86.6Confident84.7Confident26 Ų2654.1 Ų54.110%0.09826%0.257CS..Hα-helixtrans-61.2-48173.8-178-93.7000111.7I101 N102 L103 E107 M108 H109 G110 W163 V166 W167 H170I101-W105 WeakPolarHBondContact O-CB 3.47Å; I101-W105 PolarHBondContact O-N 3.44Å; N102-W105 PolarHBondContact O-N 3.38Å; L103-W105 VanDerWaalsContact C-N 3.27Å; L103-W105 PolarHBondContact O-N 3.41Å; W105-E107 VanDerWaalsContact C-N 3.31Å; W105-E107 PolarHBondContact O-N 3.2Å; W105-M108 PolarHBondContact O-N 3.13Å; W105-H109 HydrophobicContact CD2-CB 4.32Å; W105-H109 AromaticContact CD2-CD2 3.84Å; W105-H109 AromaticContact CE3-CD2 3.44Å; W105-H109 VanDerWaalsContact CE3-CD2 3.44Å; W105-H109 HydrophobicContact CZ2-CB 4.36Å; W105-H109 AromaticContact CZ3-CD2 3.57Å; W105-H109 WeakPolarHBondContact O-CA 3.42Å; W105-H109 WeakPolarHBondContact O-CB 3.33Å; W105-H109 PolarHBondContact O-N 2.82Å; W105-G110 PolarHBondContact O-N 3.45Å; W105-W163 AromaticContact CH2-CE3 3.9Å; W105-W163 HydrophobicContact CH2-CE3 3.9Å; W105-W163 HydrophobicContact CH2-CZ3 4.14Å; W105-W163 AromaticContact CZ2-CE3 3.92Å; W105-W163 HydrophobicContact CZ2-CE3 3.92Å; W105-W163 HydrophobicContact CZ2-CZ3 4.1Å; W105-V166 HydrophobicContact CH2-CB 4.17Å; W105-V166 HydrophobicContact CH2-CG1 3.74Å; W105-V166 HydrophobicContact CZ3-CG1 3.84Å; W105-W167 HydrophobicContact CB-CZ3 3.94Å; W105-W167 AromaticContact CD2-CE3 3.54Å; W105-W167 HydrophobicContact CD2-CE3 3.54Å; W105-W167 AromaticContact CD2-CZ3 3.62Å; W105-W167 HydrophobicContact CD2-CZ3 3.62Å; W105-W167 AromaticContact CE2-CE3 3.9Å; W105-W167 AromaticContact CE3-CE3 3.44Å; W105-W167 HydrophobicContact CE3-CE3 3.44Å; W105-W167 VanDerWaalsContact CE3-CE3 3.44Å; W105-W167 AromaticContact CE3-CZ3 3.83Å; W105-W167 HydrophobicContact CE3-CZ3 3.83Å; W105-W167 HydrophobicContact CG-CE3 4.11Å; W105-W167 AromaticContact CG-CZ3 3.67Å; W105-W167 HydrophobicContact CG-CZ3 3.67Å; W105-W167 HydrophobicContact CH2-CB 4.03Å; W105-W167 HydrophobicContact CH2-CE3 4.05Å; W105-W167 HydrophobicContact CZ2-CE3 4.15Å; W105-W167 HydrophobicContact CZ3-CB 4.16Å; W105-W167 AromaticContact CZ3-CE3 3.72Å; W105-W167 HydrophobicContact CZ3-CE3 3.72Å; W105-H170 HydrophobicContact CE3-CB 3.77Å; W105-H170 AromaticContact CE3-CD2 3.77Å; W105-H170 AromaticContact CE3-CG 3.51Å; W105-H170 AromaticContact CE3-ND1 3.81Å; W105-H170 HydrophobicContact CZ3-CB 3.74Å; W105-H170 PolarHBondContact N-CE1 2.98Å; W105-H170 PolarHBondContact N-NE2 2.92Å
106L87.6Confident85.2Confident18 Ų1852.5 Ų52.59%0.09425%0.252CS..Hα-helixtrans-61.4-40177.2-176.866.2000111.6N102 L103 G110 M113 K118 L121 D122 L125N102-L106 WeakPolarHBondContact O-CB 3.45Å; N102-L106 PolarHBondContact O-N 3.05Å; L103-L106 PolarHBondContact O-N 2.98Å; L106-G110 WeakPolarHBondContact O-CA 3.3Å; L106-G110 PolarHBondContact O-N 2.81Å; L106-M113 HydrophobicContact CD1-SD 4.4Å; L106-K118 HydrophobicContact CD1-CB 4.49Å; L106-K118 HydrophobicContact CD1-CG 3.55Å; L106-L121 HydrophobicContact CB-CD2 4.07Å; L106-L121 HydrophobicContact CD1-CD2 4.28Å; L106-D122 HydrophobicContact CD2-CB 3.73Å; L106-D122 WeakPolarHBondContact CD2-OD1 3.3Å; L106-L125 HydrophobicContact CB-CD1 4.39Å; L106-L125 HydrophobicContact CD2-CD1 3.81Å
107E84Confident85.4Confident78 Ų7856.1 Ų56.136%0.36427%0.271SS..Hα-helixtrans-67.6-45.9176.7-73.9-172.2-167.100112.6L103 L104 W105 R150L103-E107 PolarHBondContact O-N 3.28Å; L104-E107 PolarHBondContact O-N 3.49Å; W105-E107 VanDerWaalsContact C-N 3.31Å; W105-E107 PolarHBondContact O-N 3.2Å; E107-R150 IonicContact OE1-NH1 3.91Å; E107-R150 IonicContact OE2-CZ 2.89Å; E107-R150 IonicContact OE2-NH1 3.72Å; E107-R150 PolarHBondContact OE2-NH1 2.9Å
108M82.7Confident85.8Confident74 Ų7459.1 Ų59.137%0.36528%0.284SS..Hα-helixtrans-82.2-36.1-173.2-65.1-51.8-64.200113.5L104 W105 R150 Y153L104-M108 HydrophobicContact CD1-CG 4.18Å; L104-M108 HydrophobicContact CG-CG 4.03Å; L104-M108 WeakPolarHBondContact O-CB 3.38Å; L104-M108 VanDerWaalsContact O-CG 3.26Å; L104-M108 WeakPolarHBondContact O-CG 3.44Å; L104-M108 PolarHBondContact O-N 2.85Å; W105-M108 PolarHBondContact O-N 3.13Å; M108-R150 HydrophobicContact SD-CG 4.36Å; M108-Y153 HydrophobicContact CB-CD1 4.35Å; M108-Y153 HydrophobicContact CB-CE1 4.11Å; M108-Y153 HydrophobicContact CE-CD1 3.38Å; M108-Y153 HydrophobicContact CE-CE1 4.15Å; M108-Y153 HydrophobicContact CE-CG 3.94Å; M108-Y153 HydrophobicContact CG-CD1 3.94Å; M108-Y153 HydrophobicContact CG-CD2 4.47Å; M108-Y153 HydrophobicContact CG-CE1 4.14Å; M108-Y153 HydrophobicContact CG-CG 4.11Å; M108-Y153 HydrophobicContact SD-CD1 4.33Å; M108-Y153 HydrophobicContact SD-CG 4.47Å
109H85.3Confident86.1Confident9 Ų961.7 Ų61.74%0.04229%0.29CS..Hα-helixtrans-122.1-3.4-171.9-59.6-65.8000113.6W105 Q111 M112 Y153 W163W105-H109 HydrophobicContact CD2-CB 4.32Å; W105-H109 AromaticContact CD2-CD2 3.84Å; W105-H109 AromaticContact CE3-CD2 3.44Å; W105-H109 VanDerWaalsContact CE3-CD2 3.44Å; W105-H109 HydrophobicContact CZ2-CB 4.36Å; W105-H109 AromaticContact CZ3-CD2 3.57Å; W105-H109 WeakPolarHBondContact O-CA 3.42Å; W105-H109 WeakPolarHBondContact O-CB 3.33Å; W105-H109 PolarHBondContact O-N 2.82Å; H109-Q111 PolarHBondContact O-N 3.32Å; H109-Q111 VanDerWaalsContact O-N 3.08Å; H109-M112 WeakPolarHBondContact O-CB 3.18Å; H109-M112 PolarHBondContact O-N 3.36Å; H109-Y153 AromaticContact NE2-CE1 3.66Å; H109-Y153 AromaticContact NE2-CZ 3.6Å; H109-Y153 PolarHBondContact NE2-OH 2.92Å; H109-W163 HydrophobicContact CB-CZ3 4.35Å
110G83.5Confident86.3Confident2 Ų264.6 Ų64.62%0.02130%0.303CS..G310 helixtrans-61.5-21.1-175.200000114.9W105 L106 M112 M113W105-G110 PolarHBondContact O-N 3.45Å; L106-G110 WeakPolarHBondContact O-CA 3.3Å; L106-G110 PolarHBondContact O-N 2.81Å; G110-M112 PolarHBondContact O-N 2.82Å; G110-M113 PolarHBondContact O-N 3.04Å
111Q85.4Confident86.6Confident188 Ų18865.9 Ų65.988%0.87931%0.31SS*.G310 helixtrans-69.6-20.5172.3-64.5-173.5-1.700113.2H109H109-Q111 PolarHBondContact O-N 3.32Å; H109-Q111 VanDerWaalsContact O-N 3.08Å
112M84.6Confident86.9Confident119 Ų11968.8 Ų68.859%0.58633%0.326SS*.G310 helixtrans-97.9-6-179.5-55.8-175.573.400112.4H109 G110 V157 W163H109-M112 WeakPolarHBondContact O-CB 3.18Å; H109-M112 PolarHBondContact O-N 3.36Å; G110-M112 PolarHBondContact O-N 2.82Å; M112-V157 HydrophobicContact CE-CG1 4.36Å; M112-W163 HydrophobicContact CB-CH2 3.76Å; M112-W163 HydrophobicContact CB-CZ2 3.95Å; M112-W163 HydrophobicContact CE-CH2 3.76Å; M112-W163 HydrophobicContact CE-CZ2 3.64Å; M112-W163 HydrophobicContact CG-CH2 4.26Å; M112-W163 HydrophobicContact SD-CH2 3.57Å; M112-W163 VanDerWaalsContact SD-CH2 3.57Å; M112-W163 HydrophobicContact SD-CZ2 4.07Å
113M85.2Confident87.1Confident37 Ų3771.7 Ų71.718%0.18235%0.348CS..SBendtrans-82.4151.8179.3-66.217965.400111.4L106 G110 E115 M117 K118 L121L106-M113 HydrophobicContact CD1-SD 4.4Å; G110-M113 PolarHBondContact O-N 3.04Å; M113-E115 PolarHBondContact O-N 3.36Å; M113-M117 HydrophobicContact CE-CB 4.01Å; M113-K118 HydrophobicContact CB-CB 4.33Å; M113-L121 HydrophobicContact CE-CB 4.46Å; M113-L121 HydrophobicContact CE-CD2 3.88Å; M113-L121 HydrophobicContact SD-CD2 4.22Å
114L85.9Confident87.3Confident128 Ų12874.3 Ų74.367%0.6737%0.367SS*.  trans-61.3133.4166.1-64.8173.3000109.3E116 M117 K118L114-E116 PolarHBondContact O-N 2.87Å; L114-M117 HydrophobicContact CB-CG 4.29Å; L114-M117 HydrophobicContact CB-SD 4.3Å; L114-M117 HydrophobicContact CD1-SD 4.16Å; L114-M117 PolarHBondContact O-N 2.96Å; L114-K118 PolarHBondContact O-N 2.92Å
115E89Confident87.5Confident108 Ų10874.2 Ų74.251%0.50537%0.366SS..Hα-helixtrans-54-33.7-175.4-78.1-62.4156.500113.4M113 K118 R119M113-E115 PolarHBondContact O-N 3.36Å; E115-K118 PolarHBondContact O-N 3.42Å; E115-K118 IonicContact OE1-NZ 3.75Å; E115-R119 WeakPolarHBondContact O-CB 3.47Å; E115-R119 WeakPolarHBondContact O-CG 3.47Å; E115-R119 PolarHBondContact O-N 3.42Å
116E88.5Confident87.7Confident95 Ų9577.3 Ų77.344%0.44438%0.382SS..Hα-helixtrans-67.4-45.5176.4-172.955.3-156.800112.7L114 K118 R119 Q120L114-E116 PolarHBondContact O-N 2.87Å; E116-K118 VanDerWaalsContact C-N 3.3Å; E116-K118 PolarHBondContact O-N 3.37Å; E116-R119 PolarHBondContact O-N 3.36Å; E116-R119 IonicContact OE2-CZ 3.6Å; E116-R119 IonicContact OE2-NE 3.4Å; E116-R119 PolarHBondContact OE2-NE 2.89Å; E116-R119 IonicContact OE2-NH2 2.9Å; E116-R119 PolarHBondContact OE2-NH2 2.81Å; E116-Q120 VanDerWaalsContact O-CG 3.31Å; E116-Q120 WeakPolarHBondContact O-CG 3.4Å; E116-Q120 PolarHBondContact O-N 2.65Å; E116-Q120 PolarHBondContact OE1-NE2 3.24Å; E116-Q120 VanDerWaalsContact OE1-NE2 3.11Å
117M85.9Confident87.7Confident102 Ų10280 Ų8050%0.50240%0.401SS..Hα-helixtrans-64.8-38.4175.6-65.4177.968.600111.3M113 L114 Q120 L121M113-M117 HydrophobicContact CE-CB 4.01Å; L114-M117 HydrophobicContact CB-CG 4.29Å; L114-M117 HydrophobicContact CB-SD 4.3Å; L114-M117 HydrophobicContact CD1-SD 4.16Å; L114-M117 PolarHBondContact O-N 2.96Å; M117-Q120 PolarHBondContact O-N 2.72Å; M117-L121 VanDerWaalsContact O-CB 3.31Å; M117-L121 WeakPolarHBondContact O-CB 3.34Å; M117-L121 PolarHBondContact O-N 2.86Å
118K88.7Confident87.7Confident64 Ų6476.4 Ų76.428%0.27838%0.384SS..Hα-helixtrans-60.5-47.3175.9-171.3-171.2178-179.30111L106 M113 L114 E115 E116 L121 D122L106-K118 HydrophobicContact CD1-CB 4.49Å; L106-K118 HydrophobicContact CD1-CG 3.55Å; M113-K118 HydrophobicContact CB-CB 4.33Å; L114-K118 PolarHBondContact O-N 2.92Å; E115-K118 PolarHBondContact O-N 3.42Å; E115-K118 IonicContact OE1-NZ 3.75Å; E116-K118 VanDerWaalsContact C-N 3.3Å; E116-K118 PolarHBondContact O-N 3.37Å; K118-L121 PolarHBondContact O-N 3.42Å; K118-D122 WeakPolarHBondContact O-CB 3.44Å; K118-D122 PolarHBondContact O-N 3.03Å
119R91.4Very high87.7Confident147 Ų14776.3 Ų76.356%0.55538%0.379SS*.Hα-helixtrans-62.6-43.5175.7-77.4-171.2-69.4-115.22.6112.6E115 E116 D122 S123E115-R119 WeakPolarHBondContact O-CB 3.47Å; E115-R119 WeakPolarHBondContact O-CG 3.47Å; E115-R119 PolarHBondContact O-N 3.42Å; E116-R119 PolarHBondContact O-N 3.36Å; E116-R119 IonicContact OE2-CZ 3.6Å; E116-R119 IonicContact OE2-NE 3.4Å; E116-R119 PolarHBondContact OE2-NE 2.89Å; E116-R119 IonicContact OE2-NH2 2.9Å; E116-R119 PolarHBondContact OE2-NH2 2.81Å; R119-D122 PolarHBondContact O-N 2.89Å; R119-S123 WeakPolarHBondContact O-CB 3.11Å; R119-S123 PolarHBondContact O-N 3.28Å
120Q90.9Very high87.5Confident116 Ų11681.3 Ų81.354%0.54240%0.403SS..Hα-helixtrans-63-44.3177.2-72174.33.200111.5E116 M117 S124E116-Q120 VanDerWaalsContact O-CG 3.31Å; E116-Q120 WeakPolarHBondContact O-CG 3.4Å; E116-Q120 PolarHBondContact O-N 2.65Å; E116-Q120 PolarHBondContact OE1-NE2 3.24Å; E116-Q120 VanDerWaalsContact OE1-NE2 3.11Å; M117-Q120 PolarHBondContact O-N 2.72Å; Q120-S124 WeakPolarHBondContact O-CB 3.46Å; Q120-S124 PolarHBondContact O-N 2.88Å
121L89.1Confident87.1Confident28 Ų2884.3 Ų84.315%0.14742%0.416CS..Hα-helixtrans-65.1-47.3177.3-173.161.3000111.3N102 L106 M113 M117 K118 S123 S124 L125N102-L121 HydrophobicContact CB-CD1 3.85Å; L106-L121 HydrophobicContact CB-CD2 4.07Å; L106-L121 HydrophobicContact CD1-CD2 4.28Å; M113-L121 HydrophobicContact CE-CB 4.46Å; M113-L121 HydrophobicContact CE-CD2 3.88Å; M113-L121 HydrophobicContact SD-CD2 4.22Å; M117-L121 VanDerWaalsContact O-CB 3.31Å; M117-L121 WeakPolarHBondContact O-CB 3.34Å; M117-L121 PolarHBondContact O-N 2.86Å; K118-L121 PolarHBondContact O-N 3.42Å; L121-S123 VanDerWaalsContact C-N 3.35Å; L121-S123 PolarHBondContact O-N 3.42Å; L121-S124 WeakPolarHBondContact O-CB 3.26Å; L121-S124 PolarHBondContact O-N 3.38Å; L121-S124 PolarHBondContact O-OG 2.95Å; L121-L125 HydrophobicContact CG-CD1 4.38Å; L121-L125 WeakPolarHBondContact O-CG 3.44Å; L121-L125 PolarHBondContact O-N 2.79Å
122D89.7Confident86.3Confident68 Ų6876.4 Ų76.436%0.36438%0.38SS..Hα-helixtrans-62-42.4179.1-164.145.6000111.5L106 K118 R119 S124 L125 R129L106-D122 HydrophobicContact CD2-CB 3.73Å; L106-D122 WeakPolarHBondContact CD2-OD1 3.3Å; K118-D122 WeakPolarHBondContact O-CB 3.44Å; K118-D122 PolarHBondContact O-N 3.03Å; R119-D122 PolarHBondContact O-N 2.89Å; D122-S124 VanDerWaalsContact C-N 3.27Å; D122-S124 PolarHBondContact O-N 3.14Å; D122-L125 WeakPolarHBondContact O-CB 3.45Å; D122-L125 PolarHBondContact O-N 3.43Å; D122-L125 VanDerWaalsContact O-N 3.09Å; D122-R129 IonicContact OD1-CZ 2.94Å; D122-R129 IonicContact OD1-NE 3.75Å; D122-R129 IonicContact OD1-NH2 3.27Å; D122-R129 PolarHBondContact OD1-NH2 3.42Å
123S92.3Very high85.4Confident89 Ų8978.2 Ų78.262%0.62238%0.384SS*.Hα-helixtrans-61.6-34.6173.2-174.80000112.6R119 L121 L125R119-S123 WeakPolarHBondContact O-CB 3.11Å; R119-S123 PolarHBondContact O-N 3.28Å; L121-S123 VanDerWaalsContact C-N 3.35Å; L121-S123 PolarHBondContact O-N 3.42Å; S123-L125 PolarHBondContact O-N 2.89Å
124S91.5Very high84.2Confident62 Ų6282.1 Ų82.143%0.43441%0.406SS..Hα-helixtrans-71-19.9177.480.80000113.3Q120 L121 D122Q120-S124 WeakPolarHBondContact O-CB 3.46Å; Q120-S124 PolarHBondContact O-N 2.88Å; L121-S124 WeakPolarHBondContact O-CB 3.26Å; L121-S124 PolarHBondContact O-N 3.38Å; L121-S124 PolarHBondContact O-OG 2.95Å; D122-S124 VanDerWaalsContact C-N 3.27Å; D122-S124 PolarHBondContact O-N 3.14Å
125L90.8Very high82.8Confident0 Ų078 Ų780%038%0.384CS..Hα-helixtrans-89.6-11.1-178.5-70.5170.9000113.2Q99 N102 L103 L106 L121 D122 S123 F128 R129Q99-L125 HydrophobicContact CB-CD2 4.07Å; Q99-L125 WeakPolarHBondContact O-CD2 3.3Å; N102-L125 HydrophobicContact CB-CD2 3.76Å; N102-L125 HydrophobicContact CB-CG 4.48Å; L103-L125 HydrophobicContact CB-CD1 4.17Å; L103-L125 HydrophobicContact CB-CD2 4.21Å; L103-L125 HydrophobicContact CD1-CD1 4.19Å; L106-L125 HydrophobicContact CB-CD1 4.39Å; L106-L125 HydrophobicContact CD2-CD1 3.81Å; L121-L125 HydrophobicContact CG-CD1 4.38Å; L121-L125 WeakPolarHBondContact O-CG 3.44Å; L121-L125 PolarHBondContact O-N 2.79Å; D122-L125 WeakPolarHBondContact O-CB 3.45Å; D122-L125 PolarHBondContact O-N 3.43Å; D122-L125 VanDerWaalsContact O-N 3.09Å; S123-L125 PolarHBondContact O-N 2.89Å; L125-F128 HydrophobicContact CD2-CD1 4.38Å; L125-F128 WeakPolarHBondContact O-CA 3.35Å; L125-F128 WeakPolarHBondContact O-CB 3.46Å; L125-F128 PolarHBondContact O-N 2.84Å; L125-R129 PolarHBondContact O-N 3.33Å
126E89.8Confident80.6Confident91 Ų9178.2 Ų78.243%0.42540%0.397SS..Hα-helixtrans-57.5-44.2-177.4-165.559-154.800113.4F128 R129 E130E126-F128 PolarHBondContact O-N 3.22Å; E126-R129 PolarHBondContact O-N 2.62Å; E126-E130 WeakPolarHBondContact O-CB 3.49Å; E126-E130 PolarHBondContact O-N 3.15Å
127P87.8Confident78.1Confident75 Ų7582.1 Ų82.149%0.48742%0.416SS..Hα-helixtrans-61.2-32.6175.8-22.534.1000113H131P127-H131 VanDerWaalsContact O-CB 3.27Å; P127-H131 WeakPolarHBondContact O-CB 3.35Å; P127-H131 PolarHBondContact O-N 2.83Å
128F83.9Confident75.8Confident2 Ų279.8 Ų79.81%0.00941%0.408CS..Hα-helixtrans-72.9-44.1176.4174.7-117000111.4W96 Q99 L100 L103 L125 E126 E130 H131 M132 F142W96-F128 HydrophobicContact CB-CD2 4.03Å; W96-F128 HydrophobicContact CB-CE2 3.78Å; W96-F128 AromaticContact CD2-CD2 3.82Å; W96-F128 HydrophobicContact CD2-CD2 3.82Å; W96-F128 HydrophobicContact CD2-CE2 4.43Å; W96-F128 HydrophobicContact CE3-CB 3.92Å; W96-F128 AromaticContact CE3-CD2 3.43Å; W96-F128 HydrophobicContact CE3-CD2 3.43Å; W96-F128 VanDerWaalsContact CE3-CD2 3.43Å; W96-F128 HydrophobicContact CE3-CE2 4.35Å; W96-F128 HydrophobicContact CE3-CG 4.12Å; W96-F128 HydrophobicContact CG-CD2 4.12Å; W96-F128 HydrophobicContact CG-CE2 4.25Å; W96-F128 HydrophobicContact CZ3-CB 3.72Å; W96-F128 HydrophobicContact CZ3-CD2 4.05Å; W96-F128 HydrophobicContact CZ3-CG 4.4Å; Q99-F128 HydrophobicContact CB-CB 3.69Å; Q99-F128 HydrophobicContact CB-CD1 3.85Å; Q99-F128 HydrophobicContact CB-CD2 3.77Å; Q99-F128 HydrophobicContact CB-CE1 4.35Å; Q99-F128 HydrophobicContact CB-CE2 4.25Å; Q99-F128 HydrophobicContact CB-CG 3.5Å; Q99-F128 HydrophobicContact CG-CB 4.06Å; Q99-F128 HydrophobicContact CG-CG 4.38Å; L100-F128 HydrophobicContact CB-CE1 4.38Å; L100-F128 HydrophobicContact CB-CZ 3.78Å; L100-F128 HydrophobicContact CD1-CE1 4.49Å; L100-F128 HydrophobicContact CD1-CZ 4.16Å; L103-F128 HydrophobicContact CB-CD1 4.47Å; L103-F128 HydrophobicContact CB-CE1 4.09Å; L103-F128 HydrophobicContact CD2-CD1 4.31Å; L103-F128 HydrophobicContact CD2-CE1 3.72Å; L125-F128 HydrophobicContact CD2-CD1 4.38Å; L125-F128 WeakPolarHBondContact O-CA 3.35Å; L125-F128 WeakPolarHBondContact O-CB 3.46Å; L125-F128 PolarHBondContact O-N 2.84Å; E126-F128 PolarHBondContact O-N 3.22Å; F128-E130 VanDerWaalsContact C-N 3.31Å; F128-E130 PolarHBondContact O-N 3.17Å; F128-H131 PolarHBondContact O-N 2.99Å; F128-M132 HydrophobicContact CD2-CE 4.18Å; F128-M132 HydrophobicContact CD2-CG 4.09Å; F128-M132 HydrophobicContact CE1-CE 4.4Å; F128-M132 HydrophobicContact CE1-CG 4.35Å; F128-M132 HydrophobicContact CE2-CE 3.17Å; F128-M132 HydrophobicContact CE2-CG 3.88Å; F128-M132 HydrophobicContact CE2-SD 4.34Å; F128-M132 HydrophobicContact CG-CG 4.46Å; F128-M132 HydrophobicContact CZ-CE 3.33Å; F128-M132 HydrophobicContact CZ-CG 4.03Å; F128-M132 VanDerWaalsContact O-CB 3.27Å; F128-M132 WeakPolarHBondContact O-CB 3.28Å; F128-M132 WeakPolarHBondContact O-CG 3.39Å; F128-M132 PolarHBondContact O-N 3.27Å; F128-F142 HydrophobicContact CE1-CE1 4.46Å; F128-F142 AromaticContact CE1-CZ 3.83Å; F128-F142 HydrophobicContact CE1-CZ 3.83Å; F128-F142 HydrophobicContact CZ-CE2 4.03Å; F128-F142 AromaticContact CZ-CZ 3.66Å; F128-F142 HydrophobicContact CZ-CZ 3.66Å
129R82Confident73.5Confident72 Ų7283.7 Ų83.727%0.27243%0.428SS..Hα-helixtrans-60.5-41.5174-66.4-177.6-168.8-79.96.1111.3L103 D122 L125 E126 M132 K133L103-R129 VanDerWaalsContact CD1-CZ 3.47Å; D122-R129 IonicContact OD1-CZ 2.94Å; D122-R129 IonicContact OD1-NE 3.75Å; D122-R129 IonicContact OD1-NH2 3.27Å; D122-R129 PolarHBondContact OD1-NH2 3.42Å; L125-R129 PolarHBondContact O-N 3.33Å; E126-R129 PolarHBondContact O-N 2.62Å; R129-M132 PolarHBondContact O-N 2.81Å; R129-K133 WeakPolarHBondContact O-CG 3.37Å; R129-K133 PolarHBondContact O-N 2.93Å
130E81.8Confident71.2Confident115 Ų11578.3 Ų78.354%0.53741%0.411SS..Hα-helixtrans-66.7-45.3176.4-172.5174.5-163.400111.9E126 F128 M132 K133 N134E126-E130 WeakPolarHBondContact O-CB 3.49Å; E126-E130 PolarHBondContact O-N 3.15Å; F128-E130 VanDerWaalsContact C-N 3.31Å; F128-E130 PolarHBondContact O-N 3.17Å; E130-M132 VanDerWaalsContact C-N 3.29Å; E130-M132 PolarHBondContact O-N 3.37Å; E130-K133 PolarHBondContact O-N 3.45Å; E130-N134 PolarHBondContact O-ND2 3.48Å
131H75.3Confident69.3Low64 Ų6477.1 Ų77.130%0.29641%0.409SS..Hα-helixtrans-57.3-46.2173.2-176.366.8000111W96 P127 F128 K133 N134 I135W96-H131 AromaticContact CD1-CD2 3.67Å; W96-H131 AromaticContact CD1-NE2 3.68Å; W96-H131 AromaticContact CE2-CD2 3.25Å; W96-H131 AromaticContact CE2-CG 3.57Å; W96-H131 AromaticContact CE2-NE2 3.7Å; W96-H131 HydrophobicContact CH2-CB 3.77Å; W96-H131 HydrophobicContact CZ2-CB 3.44Å; W96-H131 VanDerWaalsContact CZ2-CB 3.44Å; W96-H131 AromaticContact CZ2-CD2 3.52Å; W96-H131 AromaticContact CZ2-CG 3.28Å; W96-H131 AromaticContact CZ2-ND1 3.81Å; W96-H131 AromaticContact NE1-CD2 2.94Å; W96-H131 PolarHBondContact NE1-CD2 3.41Å; W96-H131 AromaticContact NE1-CE1 3.68Å; W96-H131 AromaticContact NE1-CG 3.65Å; W96-H131 AromaticContact NE1-NE2 2.93Å; W96-H131 PolarHBondContact NE1-NE2 3.35Å; P127-H131 VanDerWaalsContact O-CB 3.27Å; P127-H131 WeakPolarHBondContact O-CB 3.35Å; P127-H131 PolarHBondContact O-N 2.83Å; F128-H131 PolarHBondContact O-N 2.99Å; H131-K133 VanDerWaalsContact C-N 3.32Å; H131-K133 PolarHBondContact O-N 3.34Å; H131-N134 CarbonylContact O-C 3.58Å; H131-N134 WeakPolarHBondContact O-CA 3.47Å; H131-N134 PolarHBondContact O-N 2.95Å; H131-I135 WeakPolarHBondContact O-CG1 3.39Å; H131-I135 PolarHBondContact O-N 3.35Å
132M68.7Low67.6Low23 Ų2377.8 Ų77.811%0.11341%0.411CS..Hα-helixtrans-63-31.1-179.5-77.2-64.1-174.500114.2F92 F128 R129 E130 N134 I135 F142F92-M132 HydrophobicContact CE2-CE 3.5Å; F92-M132 HydrophobicContact CZ-CE 3.52Å; F128-M132 HydrophobicContact CD2-CE 4.18Å; F128-M132 HydrophobicContact CD2-CG 4.09Å; F128-M132 HydrophobicContact CE1-CE 4.4Å; F128-M132 HydrophobicContact CE1-CG 4.35Å; F128-M132 HydrophobicContact CE2-CE 3.17Å; F128-M132 HydrophobicContact CE2-CG 3.88Å; F128-M132 HydrophobicContact CE2-SD 4.34Å; F128-M132 HydrophobicContact CG-CG 4.46Å; F128-M132 HydrophobicContact CZ-CE 3.33Å; F128-M132 HydrophobicContact CZ-CG 4.03Å; F128-M132 VanDerWaalsContact O-CB 3.27Å; F128-M132 WeakPolarHBondContact O-CB 3.28Å; F128-M132 WeakPolarHBondContact O-CG 3.39Å; F128-M132 PolarHBondContact O-N 3.27Å; R129-M132 PolarHBondContact O-N 2.81Å; E130-M132 VanDerWaalsContact C-N 3.29Å; E130-M132 PolarHBondContact O-N 3.37Å; M132-N134 PolarHBondContact O-N 3.03Å; M132-I135 HydrophobicContact CE-CD1 4.18Å; M132-I135 HydrophobicContact SD-CD1 3.46Å; M132-I135 WeakPolarHBondContact SD-CD1 3.19Å; M132-I135 HydrophobicContact SD-CG1 4.37Å; M132-F142 HydrophobicContact CB-CD1 4.19Å; M132-F142 HydrophobicContact CB-CE1 4.42Å; M132-F142 HydrophobicContact CE-CD1 4.39Å; M132-F142 HydrophobicContact CE-CD2 3.25Å; M132-F142 HydrophobicContact CE-CE1 4.25Å; M132-F142 HydrophobicContact CE-CE2 3.11Å; M132-F142 HydrophobicContact CE-CG 3.92Å; M132-F142 HydrophobicContact CE-CZ 3.65Å; M132-F142 HydrophobicContact CG-CD1 3.98Å; M132-F142 HydrophobicContact CG-CD2 4.47Å; M132-F142 HydrophobicContact CG-CE1 3.92Å; M132-F142 HydrophobicContact CG-CE2 4.45Å; M132-F142 HydrophobicContact CG-CG 4.25Å; M132-F142 HydrophobicContact CG-CZ 4.16Å; M132-F142 HydrophobicContact SD-CB 3.99Å; M132-F142 HydrophobicContact SD-CD1 3.81Å; M132-F142 HydrophobicContact SD-CD2 3.44Å; M132-F142 WeakPolarHBondContact SD-CD2 3.42Å; M132-F142 HydrophobicContact SD-CE1 4.11Å; M132-F142 HydrophobicContact SD-CE2 3.8Å; M132-F142 HydrophobicContact SD-CG 3.44Å; M132-F142 WeakPolarHBondContact SD-CG 3.2Å; M132-F142 HydrophobicContact SD-CZ 4.1Å
133K65.3Low65.9Low157 Ų15778.5 Ų78.568%0.68342%0.421SS*.Hα-helixtrans-65.3-26.8172-72.1166.9-172.4167.80112.5R129 E130 H131R129-K133 WeakPolarHBondContact O-CG 3.37Å; R129-K133 PolarHBondContact O-N 2.93Å; E130-K133 PolarHBondContact O-N 3.45Å; H131-K133 VanDerWaalsContact C-N 3.32Å; H131-K133 PolarHBondContact O-N 3.34Å
134N60.3Low64.2Low118 Ų11876.3 Ų76.363%0.63140%0.4SS*.THydrogen-bonded Turntrans-103.51-173.8-67.2-33.7000113.7E130 H131 M132 S136E130-N134 PolarHBondContact O-ND2 3.48Å; H131-N134 CarbonylContact O-C 3.58Å; H131-N134 WeakPolarHBondContact O-CA 3.47Å; H131-N134 PolarHBondContact O-N 2.95Å; M132-N134 PolarHBondContact O-N 3.03Å; N134-S136 VanDerWaalsContact C-N 3.34Å; N134-S136 PolarHBondContact O-N 3.47Å
135I56.1Low62.5Low41 Ų4174 Ų7421%0.2138%0.383CS..  trans-74.990.2175.4-59.2-173.6000108.9F92 H131 M132 E137 C138F92-I135 HydrophobicContact CE2-CD1 4.41Å; H131-I135 WeakPolarHBondContact O-CG1 3.39Å; H131-I135 PolarHBondContact O-N 3.35Å; M132-I135 HydrophobicContact CE-CD1 4.18Å; M132-I135 HydrophobicContact SD-CD1 3.46Å; M132-I135 WeakPolarHBondContact SD-CD1 3.19Å; M132-I135 HydrophobicContact SD-CG1 4.37Å; I135-E137 VanDerWaalsContact C-N 3.3Å; I135-C138 HydrophobicContact CG2-CB 3.43Å; I135-C138 VanDerWaalsContact CG2-CB 3.43Å
136S43.2Very low61.2Low113 Ų11374.5 Ų74.579%0.7939%0.386SS*.  trans-82.9-12.5158.3600000112.2N134N134-S136 VanDerWaalsContact C-N 3.34Å; N134-S136 PolarHBondContact O-N 3.47Å
137E35.6Very low59.8Low178 Ų17872.5 Ų72.583%0.83238%0.382SS*.SBendtrans-93.8-27-167.1-66176.2166.100114.5I135 E139I135-E137 VanDerWaalsContact C-N 3.3Å; E137-E139 PolarHBondContact O-N 3.18Å
138C38.2Very low58.4Low52 Ų5269.8 Ų69.835%0.35136%0.363SS..  trans-80.5117.1167.1-69.90000108.5I135 V140I135-C138 HydrophobicContact CG2-CB 3.43Å; I135-C138 VanDerWaalsContact CG2-CB 3.43Å; C138-V140 PolarHBondContact O-N 3Å
139E39.4Very low57.4Low146 Ų14669.7 Ų69.768%0.68236%0.362SS*.SBendtrans-63.95.1170.2-63.6174.3155.200113.4E137 K189E137-E139 PolarHBondContact O-N 3.18Å; E139-K189 IonicContact OE1-NZ 3.98Å; E139-K189 PolarHBondContact OE1-NZ 3.25Å; E139-K189 WeakPolarHBondContact OE2-CD 3.5Å; E139-K189 IonicContact OE2-NZ 2.93Å; E139-K189 PolarHBondContact OE2-NZ 3.26Å
140V45Very low56.7Low35 Ų3571.3 Ų71.321%0.21237%0.369CS..SBendtrans-103.9109.5175.7-177.40000107.8C138 F142 L145 A185C138-V140 PolarHBondContact O-N 3Å; V140-F142 PolarHBondContact O-N 3.4Å; V140-F142 VanDerWaalsContact O-N 3.13Å; V140-L145 HydrophobicContact CG1-CB 4.36Å; V140-A185 HydrophobicContact CG2-CB 4.14Å
141D49.1Very low55.8Low91 Ų9169.8 Ų69.849%0.48737%0.37SS..  trans-56.3117.3170.5176.4-12.8000109S143 F144 L145D141-S143 VanDerWaalsContact C-N 3.33Å; D141-S143 PolarHBondContact O-N 3.29Å; D141-S143 WeakPolarHBondContact OD1-CA 3.49Å; D141-S143 WeakPolarHBondContact OD1-CB 3.48Å; D141-S143 PolarHBondContact OD1-N 2.93Å; D141-F144 HydrophobicContact CB-CB 3.88Å; D141-F144 VanDerWaalsContact O-CB 3.3Å; D141-F144 WeakPolarHBondContact O-CB 3.09Å; D141-F144 PolarHBondContact O-N 2.97Å; D141-F144 PolarHBondContact OD1-N 2.96Å; D141-L145 PolarHBondContact O-N 3.49Å
142F53.4Low55Low42 Ų4273.8 Ų73.818%0.18438%0.383CS..Hα-helixtrans-69.8-31.7-177.3-172.7-107.6000112.7L100 L103 F128 M132 V140 F144 L145 C146L100-F142 HydrophobicContact CD1-CE2 3.59Å; L100-F142 HydrophobicContact CD1-CZ 3.6Å; L103-F142 HydrophobicContact CD2-CE1 3.93Å; L103-F142 HydrophobicContact CD2-CZ 3.92Å; F128-F142 HydrophobicContact CE1-CE1 4.46Å; F128-F142 AromaticContact CE1-CZ 3.83Å; F128-F142 HydrophobicContact CE1-CZ 3.83Å; F128-F142 HydrophobicContact CZ-CE2 4.03Å; F128-F142 AromaticContact CZ-CZ 3.66Å; F128-F142 HydrophobicContact CZ-CZ 3.66Å; M132-F142 HydrophobicContact CB-CD1 4.19Å; M132-F142 HydrophobicContact CB-CE1 4.42Å; M132-F142 HydrophobicContact CE-CD1 4.39Å; M132-F142 HydrophobicContact CE-CD2 3.25Å; M132-F142 HydrophobicContact CE-CE1 4.25Å; M132-F142 HydrophobicContact CE-CE2 3.11Å; M132-F142 HydrophobicContact CE-CG 3.92Å; M132-F142 HydrophobicContact CE-CZ 3.65Å; M132-F142 HydrophobicContact CG-CD1 3.98Å; M132-F142 HydrophobicContact CG-CD2 4.47Å; M132-F142 HydrophobicContact CG-CE1 3.92Å; M132-F142 HydrophobicContact CG-CE2 4.45Å; M132-F142 HydrophobicContact CG-CG 4.25Å; M132-F142 HydrophobicContact CG-CZ 4.16Å; M132-F142 HydrophobicContact SD-CB 3.99Å; M132-F142 HydrophobicContact SD-CD1 3.81Å; M132-F142 HydrophobicContact SD-CD2 3.44Å; M132-F142 WeakPolarHBondContact SD-CD2 3.42Å; M132-F142 HydrophobicContact SD-CE1 4.11Å; M132-F142 HydrophobicContact SD-CE2 3.8Å; M132-F142 HydrophobicContact SD-CG 3.44Å; M132-F142 WeakPolarHBondContact SD-CG 3.2Å; M132-F142 HydrophobicContact SD-CZ 4.1Å; V140-F142 PolarHBondContact O-N 3.4Å; V140-F142 VanDerWaalsContact O-N 3.13Å; F142-F144 PolarHBondContact O-N 3.35Å; F142-L145 HydrophobicContact CD2-CB 4.33Å; F142-L145 HydrophobicContact CD2-CD2 3.87Å; F142-L145 HydrophobicContact CE2-CD2 3.92Å; F142-L145 PolarHBondContact O-N 3.41Å; F142-C146 WeakPolarHBondContact CE1-SG 3.33Å; F142-C146 WeakPolarHBondContact CZ-SG 3.33Å; F142-C146 WeakPolarHBondContact O-CB 3.39Å; F142-C146 PolarHBondContact O-N 3.44Å
143S55.8Low54.9Low82 Ų8273.8 Ų73.857%0.57338%0.382SS*.Hα-helixtrans-61.1-40.6172-174.70000110.2D141 S147D141-S143 VanDerWaalsContact C-N 3.33Å; D141-S143 PolarHBondContact O-N 3.29Å; D141-S143 WeakPolarHBondContact OD1-CA 3.49Å; D141-S143 WeakPolarHBondContact OD1-CB 3.48Å; D141-S143 PolarHBondContact OD1-N 2.93Å; S143-S147 VanDerWaalsContact O-CB 3.3Å; S143-S147 WeakPolarHBondContact O-CB 3.48Å; S143-S147 PolarHBondContact O-N 3.04Å
144F55.3Low55Low44 Ų4475.2 Ų75.219%0.19338%0.384CS..Hα-helixtrans-63.2-48.2171.5170-98.3000112D141 F142 C146 S147 E148 L181 L198D141-F144 HydrophobicContact CB-CB 3.88Å; D141-F144 VanDerWaalsContact O-CB 3.3Å; D141-F144 WeakPolarHBondContact O-CB 3.09Å; D141-F144 PolarHBondContact O-N 2.97Å; D141-F144 PolarHBondContact OD1-N 2.96Å; F142-F144 PolarHBondContact O-N 3.35Å; F144-C146 VanDerWaalsContact C-N 3.35Å; F144-C146 PolarHBondContact O-N 3.28Å; F144-S147 WeakPolarHBondContact O-CB 3.25Å; F144-S147 PolarHBondContact O-N 3.46Å; F144-S147 VanDerWaalsContact O-N 3.09Å; F144-E148 HydrophobicContact CD1-CG 4.4Å; F144-E148 HydrophobicContact CD2-CG 4.09Å; F144-E148 HydrophobicContact CE1-CG 3.85Å; F144-E148 HydrophobicContact CE2-CG 3.5Å; F144-E148 VanDerWaalsContact CE2-CG 3.5Å; F144-E148 HydrophobicContact CZ-CG 3.36Å; F144-E148 PolarHBondContact O-N 2.75Å; F144-L181 HydrophobicContact CE1-CD2 4.38Å; F144-L198 HydrophobicContact CD1-CD2 4.36Å; F144-L198 HydrophobicContact CD2-CD2 4.1Å; F144-L198 HydrophobicContact CE1-CD2 3.83Å; F144-L198 HydrophobicContact CE2-CD2 3.54Å; F144-L198 HydrophobicContact CG-CD2 4.48Å; F144-L198 HydrophobicContact CZ-CD2 3.38Å
145L57.1Low55.2Low14 Ų1470.7 Ų70.77%0.07336%0.361CS..Hα-helixtrans-55.6-49.3177.1177.860.1000111.4L100 V140 D141 F142 S147 E148 L149 L181L100-L145 HydrophobicContact CD2-CD2 3.98Å; V140-L145 HydrophobicContact CG1-CB 4.36Å; D141-L145 PolarHBondContact O-N 3.49Å; F142-L145 HydrophobicContact CD2-CB 4.33Å; F142-L145 HydrophobicContact CD2-CD2 3.87Å; F142-L145 HydrophobicContact CE2-CD2 3.92Å; F142-L145 PolarHBondContact O-N 3.41Å; L145-S147 VanDerWaalsContact C-N 3.33Å; L145-S147 PolarHBondContact O-N 2.88Å; L145-E148 PolarHBondContact O-N 3.32Å; L145-L149 HydrophobicContact CD1-CD1 4.04Å; L145-L149 HydrophobicContact CD1-CG 4.17Å; L145-L149 HydrophobicContact CG-CD1 3.93Å; L145-L149 HydrophobicContact CG-CG 4.48Å; L145-L149 WeakPolarHBondContact O-CB 3.24Å; L145-L149 VanDerWaalsContact O-CG 3.23Å; L145-L149 WeakPolarHBondContact O-CG 3.45Å; L145-L149 PolarHBondContact O-N 3.37Å; L145-L181 HydrophobicContact CD1-CB 4.46Å; L145-L181 HydrophobicContact CD1-CD1 3.41Å; L145-L181 VanDerWaalsContact CD1-CD1 3.41Å
146C62.2Low55.8Low10 Ų1071.4 Ų71.47%0.06837%0.365CS..Hα-helixtrans-61-41.4175.6-74.80000111.9F142 F144 L149 R150F142-C146 WeakPolarHBondContact CE1-SG 3.33Å; F142-C146 WeakPolarHBondContact CZ-SG 3.33Å; F142-C146 WeakPolarHBondContact O-CB 3.39Å; F142-C146 PolarHBondContact O-N 3.44Å; F144-C146 VanDerWaalsContact C-N 3.35Å; F144-C146 PolarHBondContact O-N 3.28Å; C146-L149 PolarHBondContact O-N 2.92Å; C146-R150 WeakPolarHBondContact O-CB 3.27Å; C146-R150 VanDerWaalsContact O-CG 3.27Å; C146-R150 WeakPolarHBondContact O-CG 3.45Å; C146-R150 PolarHBondContact O-N 2.91Å
147S60.6Low57.2Low48 Ų4868 Ų6834%0.33634%0.34SS..Hα-helixtrans-63-44.3177.1-169.30000112.6S143 F144 L145 R150 S151S143-S147 VanDerWaalsContact O-CB 3.3Å; S143-S147 WeakPolarHBondContact O-CB 3.48Å; S143-S147 PolarHBondContact O-N 3.04Å; F144-S147 WeakPolarHBondContact O-CB 3.25Å; F144-S147 PolarHBondContact O-N 3.46Å; F144-S147 VanDerWaalsContact O-N 3.09Å; L145-S147 VanDerWaalsContact C-N 3.33Å; L145-S147 PolarHBondContact O-N 2.88Å; S147-R150 PolarHBondContact O-N 3.45Å; S147-S151 WeakPolarHBondContact O-CB 3.47Å; S147-S151 PolarHBondContact O-N 3.42Å; S147-S151 PolarHBondContact O-OG 3.19Å
148E57.6Low58.9Low18 Ų1868.7 Ų68.78%0.08434%0.34CS..Hα-helixtrans-68-40177.1-76.7-60.7132.200112.4F144 L145 R150 S151 R152 L181F144-E148 HydrophobicContact CD1-CG 4.4Å; F144-E148 HydrophobicContact CD2-CG 4.09Å; F144-E148 HydrophobicContact CE1-CG 3.85Å; F144-E148 HydrophobicContact CE2-CG 3.5Å; F144-E148 VanDerWaalsContact CE2-CG 3.5Å; F144-E148 HydrophobicContact CZ-CG 3.36Å; F144-E148 PolarHBondContact O-N 2.75Å; L145-E148 PolarHBondContact O-N 3.32Å; E148-R150 VanDerWaalsContact C-N 3.27Å; E148-R150 PolarHBondContact O-N 3.39Å; E148-S151 PolarHBondContact O-OG 3.46Å; E148-R152 PolarHBondContact O-N 3.09Å; E148-R152 IonicContact OE2-CZ 2.78Å; E148-R152 VanDerWaalsContact OE2-CZ 3.24Å; E148-R152 IonicContact OE2-NE 3.87Å; E148-R152 PolarHBondContact OE2-NE 3.45Å; E148-R152 IonicContact OE2-NH2 3.57Å; E148-R152 PolarHBondContact OE2-NH2 2.84Å; E148-L181 HydrophobicContact CB-CD1 3.91Å; E148-L181 HydrophobicContact CG-CD2 4.48Å
149L63.4Low60.7Low0 Ų072.2 Ų72.20%036%0.355CS..Hα-helixtrans-61.1-38.8172.8-75.3170.1000110.9L100 L104 L145 C146 Y153 Y173 V174 T177L100-L149 HydrophobicContact CD1-CD1 4.15Å; L104-L149 HydrophobicContact CD1-CB 4.13Å; L104-L149 HydrophobicContact CD2-CB 3.97Å; L104-L149 HydrophobicContact CD2-CD2 4.49Å; L145-L149 HydrophobicContact CD1-CD1 4.04Å; L145-L149 HydrophobicContact CD1-CG 4.17Å; L145-L149 HydrophobicContact CG-CD1 3.93Å; L145-L149 HydrophobicContact CG-CG 4.48Å; L145-L149 WeakPolarHBondContact O-CB 3.24Å; L145-L149 VanDerWaalsContact O-CG 3.23Å; L145-L149 WeakPolarHBondContact O-CG 3.45Å; L145-L149 PolarHBondContact O-N 3.37Å; C146-L149 PolarHBondContact O-N 2.92Å; L149-Y153 VanDerWaalsContact O-CB 3.31Å; L149-Y153 WeakPolarHBondContact O-CB 3.41Å; L149-Y153 PolarHBondContact O-N 2.86Å; L149-Y173 HydrophobicContact CD2-CE1 3.91Å; L149-Y173 WeakPolarHBondContact O-CE1 3.36Å; L149-Y173 PolarHBondContact O-OH 3.31Å; L149-V174 HydrophobicContact CD1-CG1 4.49Å; L149-V174 HydrophobicContact CD2-CG1 4.42Å; L149-T177 HydrophobicContact CD2-CG2 3.7Å
150R67.8Low62.5Low107 Ų10766.2 Ų66.240%0.40433%0.331SS..Hα-helixtrans-71.5-47.1177.5-76.3-173.8-62.3-130.85.2112.7L104 E107 M108 C146 S147 E148 R152 Y153L104-R150 HydrophobicContact CD1-CG 3.99Å; E107-R150 IonicContact OE1-NH1 3.91Å; E107-R150 IonicContact OE2-CZ 2.89Å; E107-R150 IonicContact OE2-NH1 3.72Å; E107-R150 PolarHBondContact OE2-NH1 2.9Å; M108-R150 HydrophobicContact SD-CG 4.36Å; C146-R150 WeakPolarHBondContact O-CB 3.27Å; C146-R150 VanDerWaalsContact O-CG 3.27Å; C146-R150 WeakPolarHBondContact O-CG 3.45Å; C146-R150 PolarHBondContact O-N 2.91Å; S147-R150 PolarHBondContact O-N 3.45Å; E148-R150 VanDerWaalsContact C-N 3.27Å; E148-R150 PolarHBondContact O-N 3.39Å; R150-R152 PolarHBondContact O-N 3.48Å; R150-Y153 PolarHBondContact O-N 3.4Å
151S61.8Low64.1Low82 Ų8269.3 Ų69.357%0.57336%0.36SS*.Hα-helixtrans-63.2-26.2-173.6670000113S147 E148S147-S151 WeakPolarHBondContact O-CB 3.47Å; S147-S151 PolarHBondContact O-N 3.42Å; S147-S151 PolarHBondContact O-OG 3.19Å; E148-S151 PolarHBondContact O-OG 3.46Å
152R59.6Low65.6Low148 Ų14866.6 Ų66.656%0.55835%0.353SS*.THydrogen-bonded Turntrans-108.61.8-179.3-55.5175.3-164.3-154.32.7113.2E148 R150 Y154 Y173E148-R152 PolarHBondContact O-N 3.09Å; E148-R152 IonicContact OE2-CZ 2.78Å; E148-R152 VanDerWaalsContact OE2-CZ 3.24Å; E148-R152 IonicContact OE2-NE 3.87Å; E148-R152 PolarHBondContact OE2-NE 3.45Å; E148-R152 IonicContact OE2-NH2 3.57Å; E148-R152 PolarHBondContact OE2-NH2 2.84Å; R150-R152 PolarHBondContact O-N 3.48Å; R152-Y154 PolarHBondContact O-N 3.01Å; R152-Y154 VanDerWaalsContact O-N 3.16Å; R152-Y173 HydrophobicContact CB-CE2 4.36Å; R152-Y173 WeakPolarHBondContact CB-OH 3.27Å; R152-Y173 VanDerWaalsContact O-CE2 3.24Å; R152-Y173 WeakPolarHBondContact O-CE2 3.36Å; R152-Y173 PolarHBondContact O-OH 2.97Å
153Y67.3Low67.1Low24 Ų2470 Ų709%0.09437%0.365CS..  trans-70.1112.7-179.4-170.4-94.3000109.9L104 M108 H109 L149 R150 V155 H170 Y173L104-Y153 HydrophobicContact CD2-CD2 4Å; L104-Y153 HydrophobicContact CD2-CE2 4.43Å; M108-Y153 HydrophobicContact CB-CD1 4.35Å; M108-Y153 HydrophobicContact CB-CE1 4.11Å; M108-Y153 HydrophobicContact CE-CD1 3.38Å; M108-Y153 HydrophobicContact CE-CE1 4.15Å; M108-Y153 HydrophobicContact CE-CG 3.94Å; M108-Y153 HydrophobicContact CG-CD1 3.94Å; M108-Y153 HydrophobicContact CG-CD2 4.47Å; M108-Y153 HydrophobicContact CG-CE1 4.14Å; M108-Y153 HydrophobicContact CG-CG 4.11Å; M108-Y153 HydrophobicContact SD-CD1 4.33Å; M108-Y153 HydrophobicContact SD-CG 4.47Å; H109-Y153 AromaticContact NE2-CE1 3.66Å; H109-Y153 AromaticContact NE2-CZ 3.6Å; H109-Y153 PolarHBondContact NE2-OH 2.92Å; L149-Y153 VanDerWaalsContact O-CB 3.31Å; L149-Y153 WeakPolarHBondContact O-CB 3.41Å; L149-Y153 PolarHBondContact O-N 2.86Å; R150-Y153 PolarHBondContact O-N 3.4Å; Y153-V155 HydrophobicContact CE1-CB 3.9Å; Y153-V155 HydrophobicContact CE1-CG2 3.91Å; Y153-V155 HydrophobicContact CE2-CG2 4.02Å; Y153-V155 VanDerWaalsContact CZ-CG2 3.49Å; Y153-V155 VanDerWaalsContact OH-CG2 3.3Å; Y153-V155 WeakPolarHBondContact OH-CG2 3.46Å; Y153-H170 HydrophobicContact CE2-CB 4.37Å; Y153-H170 AromaticContact CE2-CE1 3.93Å; Y153-H170 AromaticContact CE2-ND1 3.17Å; Y153-H170 WeakPolarHBondContact CE2-ND1 3.41Å; Y153-H170 AromaticContact CZ-ND1 3.36Å; Y153-H170 WeakPolarHBondContact OH-CB 3.25Å; Y153-H170 PolarHBondContact OH-ND1 3.01Å; Y153-Y173 AromaticContact CD2-CD1 3.4Å; Y153-Y173 HydrophobicContact CD2-CD1 3.4Å; Y153-Y173 AromaticContact CD2-CE1 3.54Å; Y153-Y173 HydrophobicContact CD2-CE1 3.54Å; Y153-Y173 HydrophobicContact CD2-CG 4.09Å; Y153-Y173 AromaticContact CE2-CD1 3.84Å; Y153-Y173 HydrophobicContact CE2-CD1 3.84Å; Y153-Y173 HydrophobicContact CE2-CE1 4.41Å; Y153-Y173 HydrophobicContact CE2-CG 4.34Å; Y153-Y173 HydrophobicContact CG-CD1 4.5Å; Y153-Y173 HydrophobicContact CG-CE1 4.34Å; Y153-Y173 PolarHBondContact N-OH 2.89Å
154Y65.7Low68.3Low187 Ų18773.1 Ų73.173%0.73338%0.375SS*.  trans-131.8103.7173-174.7-97.7000109.8R152R152-Y154 PolarHBondContact O-N 3.01Å; R152-Y154 VanDerWaalsContact O-N 3.16Å
155V64.9Low69.4Low23 Ų2373.9 Ų73.914%0.13938%0.379CS..  trans-130.6111.8166.9178.60000107.3Y153 V157 V166 L169Y153-V155 HydrophobicContact CE1-CB 3.9Å; Y153-V155 HydrophobicContact CE1-CG2 3.91Å; Y153-V155 HydrophobicContact CE2-CG2 4.02Å; Y153-V155 VanDerWaalsContact CZ-CG2 3.49Å; Y153-V155 VanDerWaalsContact OH-CG2 3.3Å; Y153-V155 WeakPolarHBondContact OH-CG2 3.46Å; V155-V157 PolarHBondContact O-N 3.4Å; V155-V157 VanDerWaalsContact O-N 3.09Å; V155-V166 HydrophobicContact CG1-CB 4.48Å; V155-V166 HydrophobicContact CG1-CG1 3.9Å; V155-L169 HydrophobicContact CG1-CB 4.27Å; V155-L169 HydrophobicContact CG1-CD1 4.16Å; V155-L169 HydrophobicContact CG2-CB 4.14Å
156N68.1Low70.3Confident56 Ų5673.2 Ų73.230%0.29938%0.376SS..  trans-7797.4174.7-170-3.7000109.6K158 D159N156-K158 PolarHBondContact O-N 3.27Å; N156-K158 VanDerWaalsContact O-N 3.16Å; N156-K158 WeakPolarHBondContact OD1-CB 3.44Å; N156-K158 PolarHBondContact OD1-N 3.1Å; N156-K158 VanDerWaalsContact OD1-N 3.15Å; N156-D159 HydrophobicContact CB-CB 4.33Å; N156-D159 PolarHBondContact ND2-OD1 2.83Å; N156-D159 PolarHBondContact ND2-OD2 3.3Å; N156-D159 PolarHBondContact O-N 3.4Å
157V72.9Confident71.3Confident42 Ų4276.9 Ų76.926%0.25539%0.388SS..THydrogen-bonded Turntrans-57.9-28.3179.8179.60000112.1M112 V155 W163 V166M112-V157 HydrophobicContact CE-CG1 4.36Å; V155-V157 PolarHBondContact O-N 3.4Å; V155-V157 VanDerWaalsContact O-N 3.09Å; V157-W163 HydrophobicContact CG1-CH2 4.04Å; V157-W163 HydrophobicContact CG1-CZ2 4.35Å; V157-W163 HydrophobicContact CG1-CZ3 4.3Å; V157-V166 HydrophobicContact CG1-CG2 4.26Å; V157-V166 HydrophobicContact CG2-CG1 4.15Å; V157-V166 HydrophobicContact CG2-CG2 4.46Å
158K72.9Confident72.1Confident191 Ų19180.7 Ų80.783%0.8340%0.395SS*.THydrogen-bonded Turntrans-73.5-27.3-178.9-64.5-177.2178.4178.30113.7N156N156-K158 PolarHBondContact O-N 3.27Å; N156-K158 VanDerWaalsContact O-N 3.16Å; N156-K158 WeakPolarHBondContact OD1-CB 3.44Å; N156-K158 PolarHBondContact OD1-N 3.1Å; N156-K158 VanDerWaalsContact OD1-N 3.15Å
159D74.6Confident73Confident126 Ų12682.7 Ų82.767%0.67441%0.406SS*.THydrogen-bonded Turntrans-92.8-10.7-177-62.5-12.6000112.3N156N156-D159 HydrophobicContact CB-CB 4.33Å; N156-D159 PolarHBondContact ND2-OD1 2.83Å; N156-D159 PolarHBondContact ND2-OD2 3.3Å; N156-D159 PolarHBondContact O-N 3.4Å
160A76.9Confident73.8Confident21 Ų2182.7 Ų82.717%0.17441%0.406CS..SBendtrans-76.8144.1-179.700000111.5G162 E165 V166A160-G162 PolarHBondContact O-N 2.98Å; A160-E165 HydrophobicContact CB-CB 4.28Å; A160-E165 HydrophobicContact CB-CG 4.1Å; A160-V166 HydrophobicContact CB-CG2 3.48Å; A160-V166 VanDerWaalsContact CB-CG2 3.48Å
161A79.3Confident74.3Confident99 Ų9979.9 Ų79.982%0.81840%0.401SS*.SBendtrans-65.3-8.9177.700000113.9E165A161-E165 VanDerWaalsContact CB-OE2 3.27Å; A161-E165 WeakPolarHBondContact CB-OE2 3.34Å; A161-E165 PolarHBondContact N-OE2 3.48Å
162G81Confident74.8Confident34 Ų3481.5 Ų81.535%0.35140%0.398SS..SBendtrans159.5179.3177.900000111.9A160 D164 E165 V166A160-G162 PolarHBondContact O-N 2.98Å; G162-D164 VanDerWaalsContact C-N 3.26Å; G162-D164 PolarHBondContact O-N 3.47Å; G162-E165 PolarHBondContact O-N 3.47Å; G162-E165 VanDerWaalsContact O-N 3.09Å; G162-V166 PolarHBondContact O-N 2.88Å
163W84.8Confident75.6Confident115 Ų11576.2 Ų76.244%0.43638%0.378SS..Hα-helixtrans-62.2-30.9-178.7-76.3110.3000113.9W105 H109 M112 V157 E165 V166 W167W105-W163 AromaticContact CH2-CE3 3.9Å; W105-W163 HydrophobicContact CH2-CE3 3.9Å; W105-W163 HydrophobicContact CH2-CZ3 4.14Å; W105-W163 AromaticContact CZ2-CE3 3.92Å; W105-W163 HydrophobicContact CZ2-CE3 3.92Å; W105-W163 HydrophobicContact CZ2-CZ3 4.1Å; H109-W163 HydrophobicContact CB-CZ3 4.35Å; M112-W163 HydrophobicContact CB-CH2 3.76Å; M112-W163 HydrophobicContact CB-CZ2 3.95Å; M112-W163 HydrophobicContact CE-CH2 3.76Å; M112-W163 HydrophobicContact CE-CZ2 3.64Å; M112-W163 HydrophobicContact CG-CH2 4.26Å; M112-W163 HydrophobicContact SD-CH2 3.57Å; M112-W163 VanDerWaalsContact SD-CH2 3.57Å; M112-W163 HydrophobicContact SD-CZ2 4.07Å; V157-W163 HydrophobicContact CG1-CH2 4.04Å; V157-W163 HydrophobicContact CG1-CZ2 4.35Å; V157-W163 HydrophobicContact CG1-CZ3 4.3Å; W163-E165 VanDerWaalsContact C-N 3.27Å; W163-E165 PolarHBondContact O-N 2.92Å; W163-V166 HydrophobicContact CE3-CB 4.12Å; W163-V166 HydrophobicContact CE3-CG1 4.15Å; W163-V166 HydrophobicContact CE3-CG2 4.37Å; W163-V166 HydrophobicContact CZ3-CG1 4.13Å; W163-V166 PolarHBondContact O-N 3.41Å; W163-W167 WeakPolarHBondContact O-CB 3.49Å; W163-W167 PolarHBondContact O-N 2.96Å
164D81Confident75.9Confident146 Ų14675.1 Ų75.178%0.78137%0.373SS*.Hα-helixtrans-62.3-36.7174.9-65.5-24.4000111.8G162 R168G162-D164 VanDerWaalsContact C-N 3.26Å; G162-D164 PolarHBondContact O-N 3.47Å; D164-R168 WeakPolarHBondContact O-CB 3.23Å; D164-R168 PolarHBondContact O-N 3.17Å
165E77.7Confident76.2Confident60 Ų6066.9 Ų66.928%0.2835%0.345SS..Hα-helixtrans-71.9-43.1175.2174.6156.1-132.500111.7A160 A161 G162 W163 W167 R168 L169A160-E165 HydrophobicContact CB-CB 4.28Å; A160-E165 HydrophobicContact CB-CG 4.1Å; A161-E165 VanDerWaalsContact CB-OE2 3.27Å; A161-E165 WeakPolarHBondContact CB-OE2 3.34Å; A161-E165 PolarHBondContact N-OE2 3.48Å; G162-E165 PolarHBondContact O-N 3.47Å; G162-E165 VanDerWaalsContact O-N 3.09Å; W163-E165 VanDerWaalsContact C-N 3.27Å; W163-E165 PolarHBondContact O-N 2.92Å; E165-W167 VanDerWaalsContact C-N 3.28Å; E165-W167 PolarHBondContact O-N 3.22Å; E165-R168 PolarHBondContact O-N 2.9Å; E165-R168 IonicContact OE1-NH2 2.65Å; E165-R168 PolarHBondContact OE1-NH2 3.49Å; E165-L169 HydrophobicContact CG-CD1 4.03Å; E165-L169 HydrophobicContact CG-CG 4.32Å; E165-L169 WeakPolarHBondContact O-CB 3.17Å; E165-L169 WeakPolarHBondContact O-CG 3.42Å; E165-L169 PolarHBondContact O-N 3.43Å
166V76.7Confident76.1Confident1 Ų170.1 Ų70.11%0.00636%0.362CS..Hα-helixtrans-57.8-44.6174.9-179.30000110.2W105 V155 V157 A160 G162 W163 L169 H170W105-V166 HydrophobicContact CH2-CB 4.17Å; W105-V166 HydrophobicContact CH2-CG1 3.74Å; W105-V166 HydrophobicContact CZ3-CG1 3.84Å; V155-V166 HydrophobicContact CG1-CB 4.48Å; V155-V166 HydrophobicContact CG1-CG1 3.9Å; V157-V166 HydrophobicContact CG1-CG2 4.26Å; V157-V166 HydrophobicContact CG2-CG1 4.15Å; V157-V166 HydrophobicContact CG2-CG2 4.46Å; A160-V166 HydrophobicContact CB-CG2 3.48Å; A160-V166 VanDerWaalsContact CB-CG2 3.48Å; G162-V166 PolarHBondContact O-N 2.88Å; W163-V166 HydrophobicContact CE3-CB 4.12Å; W163-V166 HydrophobicContact CE3-CG1 4.15Å; W163-V166 HydrophobicContact CE3-CG2 4.37Å; W163-V166 HydrophobicContact CZ3-CG1 4.13Å; W163-V166 PolarHBondContact O-N 3.41Å; V166-L169 PolarHBondContact O-N 3.14Å; V166-H170 VanDerWaalsContact O-CB 3.25Å; V166-H170 WeakPolarHBondContact O-CB 3.41Å; V166-H170 PolarHBondContact O-N 3.35Å
167W82.4Confident75.8Confident86 Ų8668.5 Ų68.533%0.32635%0.354SS..Hα-helixtrans-60-49.4175.2177.6-105.9000112I101 N102 W105 W163 E165 L169 H170 V171I101-W167 HydrophobicContact CG2-CH2 3.57Å; I101-W167 HydrophobicContact CG2-CZ2 4.02Å; I101-W167 HydrophobicContact CG2-CZ3 4.14Å; N102-W167 WeakPolarHBondContact OD1-CH2 3.48Å; W105-W167 HydrophobicContact CB-CZ3 3.94Å; W105-W167 AromaticContact CD2-CE3 3.54Å; W105-W167 HydrophobicContact CD2-CE3 3.54Å; W105-W167 AromaticContact CD2-CZ3 3.62Å; W105-W167 HydrophobicContact CD2-CZ3 3.62Å; W105-W167 AromaticContact CE2-CE3 3.9Å; W105-W167 AromaticContact CE3-CE3 3.44Å; W105-W167 HydrophobicContact CE3-CE3 3.44Å; W105-W167 VanDerWaalsContact CE3-CE3 3.44Å; W105-W167 AromaticContact CE3-CZ3 3.83Å; W105-W167 HydrophobicContact CE3-CZ3 3.83Å; W105-W167 HydrophobicContact CG-CE3 4.11Å; W105-W167 AromaticContact CG-CZ3 3.67Å; W105-W167 HydrophobicContact CG-CZ3 3.67Å; W105-W167 HydrophobicContact CH2-CB 4.03Å; W105-W167 HydrophobicContact CH2-CE3 4.05Å; W105-W167 HydrophobicContact CZ2-CE3 4.15Å; W105-W167 HydrophobicContact CZ3-CB 4.16Å; W105-W167 AromaticContact CZ3-CE3 3.72Å; W105-W167 HydrophobicContact CZ3-CE3 3.72Å; W163-W167 WeakPolarHBondContact O-CB 3.49Å; W163-W167 PolarHBondContact O-N 2.96Å; E165-W167 VanDerWaalsContact C-N 3.28Å; E165-W167 PolarHBondContact O-N 3.22Å; W167-L169 VanDerWaalsContact C-N 3.33Å; W167-L169 PolarHBondContact O-N 2.98Å; W167-H170 WeakPolarHBondContact O-CB 3.3Å; W167-H170 PolarHBondContact O-N 3.38Å; W167-H170 VanDerWaalsContact O-N 3.17Å; W167-V171 HydrophobicContact CD2-CG2 4.14Å; W167-V171 HydrophobicContact CG-CG2 4.5Å; W167-V171 HydrophobicContact CZ2-CG2 3.87Å; W167-V171 WeakPolarHBondContact O-CG2 3.45Å; W167-V171 PolarHBondContact O-N 3.35Å
168R77.5Confident75.5Confident129 Ų12966.8 Ų66.849%0.48734%0.344SS..Hα-helixtrans-58.7-43177.5-175.9-172.562.6800.1112.2D164 E165 K172D164-R168 WeakPolarHBondContact O-CB 3.23Å; D164-R168 PolarHBondContact O-N 3.17Å; E165-R168 PolarHBondContact O-N 2.9Å; E165-R168 IonicContact OE1-NH2 2.65Å; E165-R168 PolarHBondContact OE1-NH2 3.49Å; R168-K172 WeakPolarHBondContact O-CB 3.49Å; R168-K172 PolarHBondContact O-N 3.37Å; R168-K172 VanDerWaalsContact O-N 3.13Å
169L77.5Confident74.8Confident60 Ų6059.1 Ų59.131%0.31432%0.316SS..Hα-helixtrans-67-40.2176.6-70.3174.8000111.5V155 E165 V166 W167 K172 Y173V155-L169 HydrophobicContact CG1-CB 4.27Å; V155-L169 HydrophobicContact CG1-CD1 4.16Å; V155-L169 HydrophobicContact CG2-CB 4.14Å; E165-L169 HydrophobicContact CG-CD1 4.03Å; E165-L169 HydrophobicContact CG-CG 4.32Å; E165-L169 WeakPolarHBondContact O-CB 3.17Å; E165-L169 WeakPolarHBondContact O-CG 3.42Å; E165-L169 PolarHBondContact O-N 3.43Å; V166-L169 PolarHBondContact O-N 3.14Å; W167-L169 VanDerWaalsContact C-N 3.33Å; W167-L169 PolarHBondContact O-N 2.98Å; L169-K172 PolarHBondContact O-N 3.47Å; L169-Y173 VanDerWaalsContact O-CB 3.32Å; L169-Y173 WeakPolarHBondContact O-CB 3.41Å; L169-Y173 PolarHBondContact O-N 3.36Å
170H80.4Confident73.8Confident0 Ų058 Ų580%031%0.307CS..Hα-helixtrans-61.4-52.1176179.391.8000112.1I101 L104 W105 Y153 V166 W167 K172 Y173 V174I101-H170 PolarHBondContact O-NE2 3.33Å; L104-H170 VanDerWaalsContact C-CE1 3.49Å; W105-H170 HydrophobicContact CE3-CB 3.77Å; W105-H170 AromaticContact CE3-CD2 3.77Å; W105-H170 AromaticContact CE3-CG 3.51Å; W105-H170 AromaticContact CE3-ND1 3.81Å; W105-H170 HydrophobicContact CZ3-CB 3.74Å; W105-H170 PolarHBondContact N-CE1 2.98Å; W105-H170 PolarHBondContact N-NE2 2.92Å; Y153-H170 HydrophobicContact CE2-CB 4.37Å; Y153-H170 AromaticContact CE2-CE1 3.93Å; Y153-H170 AromaticContact CE2-ND1 3.17Å; Y153-H170 WeakPolarHBondContact CE2-ND1 3.41Å; Y153-H170 AromaticContact CZ-ND1 3.36Å; Y153-H170 WeakPolarHBondContact OH-CB 3.25Å; Y153-H170 PolarHBondContact OH-ND1 3.01Å; V166-H170 VanDerWaalsContact O-CB 3.25Å; V166-H170 WeakPolarHBondContact O-CB 3.41Å; V166-H170 PolarHBondContact O-N 3.35Å; W167-H170 WeakPolarHBondContact O-CB 3.3Å; W167-H170 PolarHBondContact O-N 3.38Å; W167-H170 VanDerWaalsContact O-N 3.17Å; H170-K172 VanDerWaalsContact C-N 3.3Å; H170-K172 PolarHBondContact O-N 3.43Å; H170-Y173 WeakPolarHBondContact O-CB 3.35Å; H170-Y173 PolarHBondContact O-N 3.45Å; H170-Y173 VanDerWaalsContact O-N 3.14Å; H170-V174 WeakPolarHBondContact O-CG2 3.5Å; H170-V174 PolarHBondContact O-N 3.35Å
171V77.4Confident72.8Confident48 Ų4858 Ų5829%0.29130%0.304SS..Hα-helixtrans-55.8-46.5176.9170.70000110.8I101 W167 Y173 V174 G175I101-V171 HydrophobicContact CD1-CG1 4.04Å; I101-V171 HydrophobicContact CD1-CG2 4.42Å; I101-V171 HydrophobicContact CG2-CG2 3.81Å; W167-V171 HydrophobicContact CD2-CG2 4.14Å; W167-V171 HydrophobicContact CG-CG2 4.5Å; W167-V171 HydrophobicContact CZ2-CG2 3.87Å; W167-V171 WeakPolarHBondContact O-CG2 3.45Å; W167-V171 PolarHBondContact O-N 3.35Å; V171-Y173 PolarHBondContact O-N 2.88Å; V171-V174 PolarHBondContact O-N 2.88Å; V171-G175 PolarHBondContact O-N 2.93Å
172K72.8Confident71.5Confident116 Ų11655.1 Ų55.150%0.50427%0.273SS..Hα-helixtrans-60.7-44.7178-175.9-177177.6-171.40111.7R168 L169 H170 N176R168-K172 WeakPolarHBondContact O-CB 3.49Å; R168-K172 PolarHBondContact O-N 3.37Å; R168-K172 VanDerWaalsContact O-N 3.13Å; L169-K172 PolarHBondContact O-N 3.47Å; H170-K172 VanDerWaalsContact C-N 3.3Å; H170-K172 PolarHBondContact O-N 3.43Å; K172-N176 VanDerWaalsContact O-CB 3.3Å; K172-N176 WeakPolarHBondContact O-CB 3.3Å; K172-N176 PolarHBondContact O-N 3.02Å
173Y76.2Confident70Confident37 Ų3757.1 Ų57.115%0.14528%0.275CS..Hα-helixtrans-62.4-50.3179.9170.5-91.7000111.8L104 L149 R152 Y153 L169 H170 V171 T177L104-Y173 HydrophobicContact CD2-CD1 4.4Å; L104-Y173 HydrophobicContact CD2-CE1 4.22Å; L149-Y173 HydrophobicContact CD2-CE1 3.91Å; L149-Y173 WeakPolarHBondContact O-CE1 3.36Å; L149-Y173 PolarHBondContact O-OH 3.31Å; R152-Y173 HydrophobicContact CB-CE2 4.36Å; R152-Y173 WeakPolarHBondContact CB-OH 3.27Å; R152-Y173 VanDerWaalsContact O-CE2 3.24Å; R152-Y173 WeakPolarHBondContact O-CE2 3.36Å; R152-Y173 PolarHBondContact O-OH 2.97Å; Y153-Y173 AromaticContact CD2-CD1 3.4Å; Y153-Y173 HydrophobicContact CD2-CD1 3.4Å; Y153-Y173 AromaticContact CD2-CE1 3.54Å; Y153-Y173 HydrophobicContact CD2-CE1 3.54Å; Y153-Y173 HydrophobicContact CD2-CG 4.09Å; Y153-Y173 AromaticContact CE2-CD1 3.84Å; Y153-Y173 HydrophobicContact CE2-CD1 3.84Å; Y153-Y173 HydrophobicContact CE2-CE1 4.41Å; Y153-Y173 HydrophobicContact CE2-CG 4.34Å; Y153-Y173 HydrophobicContact CG-CD1 4.5Å; Y153-Y173 HydrophobicContact CG-CE1 4.34Å; Y153-Y173 PolarHBondContact N-OH 2.89Å; L169-Y173 VanDerWaalsContact O-CB 3.32Å; L169-Y173 WeakPolarHBondContact O-CB 3.41Å; L169-Y173 PolarHBondContact O-N 3.36Å; H170-Y173 WeakPolarHBondContact O-CB 3.35Å; H170-Y173 PolarHBondContact O-N 3.45Å; H170-Y173 VanDerWaalsContact O-N 3.14Å; V171-Y173 PolarHBondContact O-N 2.88Å; Y173-T177 VanDerWaalsContact O-CB 3.29Å; Y173-T177 WeakPolarHBondContact O-CB 3.36Å; Y173-T177 PolarHBondContact O-N 3.06Å; Y173-T177 PolarHBondContact O-OG1 2.9Å
174V74.1Confident68.2Low0 Ų055.3 Ų55.30%027%0.274CS..Hα-helixtrans-63.8-48-178.5179.70000110.5W93 L100 I101 L104 L149 H170 V171 N176 T177 C178W93-V174 HydrophobicContact CH2-CG1 4.31Å; L100-V174 HydrophobicContact CD2-CG1 4.41Å; L100-V174 HydrophobicContact CG-CG1 4.06Å; I101-V174 HydrophobicContact CG1-CB 4.04Å; I101-V174 HydrophobicContact CG1-CG1 3.89Å; L104-V174 HydrophobicContact CB-CG2 4.34Å; L104-V174 HydrophobicContact CD2-CG2 3.39Å; L104-V174 HydrophobicContact CG-CG2 4.46Å; L149-V174 HydrophobicContact CD1-CG1 4.49Å; L149-V174 HydrophobicContact CD2-CG1 4.42Å; H170-V174 WeakPolarHBondContact O-CG2 3.5Å; H170-V174 PolarHBondContact O-N 3.35Å; V171-V174 PolarHBondContact O-N 2.88Å; V174-N176 PolarHBondContact O-N 3.25Å; V174-T177 PolarHBondContact O-N 3.49Å; V174-C178 VanDerWaalsContact O-CB 3.3Å; V174-C178 WeakPolarHBondContact O-CB 3.42Å; V174-C178 PolarHBondContact O-N 3.45Å; V174-C178 PolarHBondContact O-SG 2.89Å
175G71.2Confident66.6Low14 Ų1450.2 Ų50.214%0.14425%0.253CS..Hα-helixtrans-56.3-51.4178.200000113W93 V171 A179W93-G175 VanDerWaalsContact CH2-CA 3.41Å; V171-G175 PolarHBondContact O-N 2.93Å; G175-A179 WeakPolarHBondContact O-CB 3.26Å; G175-A179 PolarHBondContact O-N 3.4Å
176N62.8Low64.9Low91 Ų9148.9 Ų48.949%0.48725%0.248SC..Hα-helixtrans-65.8-42.8-178.5-70.9-4.5000112.2K172 V174 Q180K172-N176 VanDerWaalsContact O-CB 3.3Å; K172-N176 WeakPolarHBondContact O-CB 3.3Å; K172-N176 PolarHBondContact O-N 3.02Å; V174-N176 PolarHBondContact O-N 3.25Å; N176-Q180 WeakPolarHBondContact O-CB 2.96Å; N176-Q180 PolarHBondContact O-N 2.92Å
177T62.3Low63.1Low22 Ų2253.2 Ų53.214%0.13527%0.271CS..Hα-helixtrans-69-41.4-177.8-540000111.1L149 Y173 V174 Q180 L181L149-T177 HydrophobicContact CD2-CG2 3.7Å; Y173-T177 VanDerWaalsContact O-CB 3.29Å; Y173-T177 WeakPolarHBondContact O-CB 3.36Å; Y173-T177 PolarHBondContact O-N 3.06Å; Y173-T177 PolarHBondContact O-OG1 2.9Å; V174-T177 PolarHBondContact O-N 3.49Å; T177-Q180 PolarHBondContact O-N 2.95Å; T177-L181 HydrophobicContact CG2-CD1 3.93Å; T177-L181 HydrophobicContact CG2-CG 4.36Å; T177-L181 WeakPolarHBondContact O-CB 3.26Å; T177-L181 VanDerWaalsContact O-CG 3.31Å; T177-L181 WeakPolarHBondContact O-CG 3.26Å; T177-L181 PolarHBondContact O-N 3.21Å
178C65.6Low61.1Low6 Ų651.9 Ų51.94%0.04127%0.268CS..Hα-helixtrans-64.3-46.1176.2-66.40000111.8W93 L100 V174 Q180 L181 F182W93-C178 HydrophobicContact CE3-CB 4.43Å; W93-C178 HydrophobicContact CH2-CB 4.48Å; W93-C178 HydrophobicContact CZ3-CB 3.72Å; L100-C178 WeakPolarHBondContact CD2-SG 3.47Å; V174-C178 VanDerWaalsContact O-CB 3.3Å; V174-C178 WeakPolarHBondContact O-CB 3.42Å; V174-C178 PolarHBondContact O-N 3.45Å; V174-C178 PolarHBondContact O-SG 2.89Å; C178-Q180 VanDerWaalsContact C-N 3.32Å; C178-Q180 PolarHBondContact O-N 3.43Å; C178-L181 PolarHBondContact O-N 2.99Å; C178-F182 VanDerWaalsContact O-CB 3.26Å; C178-F182 WeakPolarHBondContact O-CB 3.11Å; C178-F182 PolarHBondContact O-N 3.48Å
179A58.9Low59.1Low30 Ų3051 Ų5125%0.24827%0.268CS..Hα-helixtrans-58.5-44.2175.400000111.4F89 G175 F182 L183F89-A179 HydrophobicContact CE1-CB 4.49Å; F89-A179 HydrophobicContact CZ-CB 4.02Å; G175-A179 WeakPolarHBondContact O-CB 3.26Å; G175-A179 PolarHBondContact O-N 3.4Å; A179-F182 PolarHBondContact O-N 2.64Å; A179-L183 WeakPolarHBondContact O-CB 3.26Å; A179-L183 VanDerWaalsContact O-CG 3.25Å; A179-L183 WeakPolarHBondContact O-CG 3.48Å; A179-L183 PolarHBondContact O-N 3.31Å
180Q52.8Low57.3Low103 Ų10353 Ų5348%0.48128%0.275SS..Hα-helixtrans-67.4-43.3179-172.362.761.300112.7N176 T177 C178 F182 L183 N184N176-Q180 WeakPolarHBondContact O-CB 2.96Å; N176-Q180 PolarHBondContact O-N 2.92Å; T177-Q180 PolarHBondContact O-N 2.95Å; C178-Q180 VanDerWaalsContact C-N 3.32Å; C178-Q180 PolarHBondContact O-N 3.43Å; Q180-F182 VanDerWaalsContact C-N 3.3Å; Q180-F182 PolarHBondContact O-N 2.66Å; Q180-L183 PolarHBondContact O-N 2.99Å; Q180-N184 PolarHBondContact NE2-OD1 3.01Å; Q180-N184 WeakPolarHBondContact O-CB 3.34Å; Q180-N184 PolarHBondContact O-N 3.14Å; Q180-N184 PolarHBondContact O-ND2 3.23Å; Q180-N184 PolarHBondContact O-OD1 3.23Å
181L55.9Low55Low22 Ų2257.9 Ų57.912%0.11530%0.301CS..Hα-helixtrans-63.7-39.2177.1-74.4171.3000111.2F144 L145 E148 T177 C178 N184 A185F144-L181 HydrophobicContact CE1-CD2 4.38Å; L145-L181 HydrophobicContact CD1-CB 4.46Å; L145-L181 HydrophobicContact CD1-CD1 3.41Å; L145-L181 VanDerWaalsContact CD1-CD1 3.41Å; E148-L181 HydrophobicContact CB-CD1 3.91Å; E148-L181 HydrophobicContact CG-CD2 4.48Å; T177-L181 HydrophobicContact CG2-CD1 3.93Å; T177-L181 HydrophobicContact CG2-CG 4.36Å; T177-L181 WeakPolarHBondContact O-CB 3.26Å; T177-L181 VanDerWaalsContact O-CG 3.31Å; T177-L181 WeakPolarHBondContact O-CG 3.26Å; T177-L181 PolarHBondContact O-N 3.21Å; C178-L181 PolarHBondContact O-N 2.99Å; L181-N184 PolarHBondContact O-N 3.39Å; L181-A185 WeakPolarHBondContact O-CB 3.44Å; L181-A185 PolarHBondContact O-N 3.39Å
182F52.5Low53Low38 Ų3860.7 Ų60.717%0.16731%0.31CS..Hα-helixtrans-65.7-48.2175.3-166.3-88.4000111.4I85 L88 F89 C178 A179 Q180 N184 A185 V186I85-F182 HydrophobicContact CB-CE1 4.49Å; I85-F182 HydrophobicContact CG2-CD1 4.4Å; I85-F182 HydrophobicContact CG2-CE1 3.26Å; I85-F182 HydrophobicContact CG2-CZ 3.44Å; I85-F182 VanDerWaalsContact CG2-CZ 3.44Å; I85-F182 VanDerWaalsContact O-CE1 3.26Å; I85-F182 WeakPolarHBondContact O-CE1 3.06Å; I85-F182 WeakPolarHBondContact O-CZ 3.34Å; L88-F182 HydrophobicContact CB-CZ 4.38Å; F89-F182 HydrophobicContact CB-CD1 3.68Å; F89-F182 HydrophobicContact CB-CD2 4.35Å; F89-F182 HydrophobicContact CB-CE1 3.4Å; F89-F182 VanDerWaalsContact CB-CE1 3.4Å; F89-F182 HydrophobicContact CB-CE2 4.13Å; F89-F182 HydrophobicContact CB-CG 4.14Å; F89-F182 HydrophobicContact CB-CZ 3.64Å; F89-F182 HydrophobicContact CD2-CB 3.87Å; F89-F182 AromaticContact CD2-CD1 3.97Å; F89-F182 HydrophobicContact CD2-CD1 3.97Å; F89-F182 AromaticContact CD2-CD2 3.87Å; F89-F182 HydrophobicContact CD2-CD2 3.87Å; F89-F182 HydrophobicContact CD2-CE1 4.45Å; F89-F182 HydrophobicContact CD2-CE2 4.38Å; F89-F182 AromaticContact CD2-CG 3.63Å; F89-F182 HydrophobicContact CD2-CG 3.63Å; F89-F182 HydrophobicContact CE2-CB 4.25Å; F89-F182 HydrophobicContact CE2-CG 4.47Å; F89-F182 HydrophobicContact CG-CD1 4.07Å; F89-F182 HydrophobicContact CG-CE1 4.29Å; F89-F182 HydrophobicContact CG-CG 4.21Å; C178-F182 VanDerWaalsContact O-CB 3.26Å; C178-F182 WeakPolarHBondContact O-CB 3.11Å; C178-F182 PolarHBondContact O-N 3.48Å; A179-F182 PolarHBondContact O-N 2.64Å; Q180-F182 VanDerWaalsContact C-N 3.3Å; Q180-F182 PolarHBondContact O-N 2.66Å; F182-N184 VanDerWaalsContact C-N 3.29Å; F182-N184 PolarHBondContact O-N 2.95Å; F182-A185 WeakPolarHBondContact O-CB 3.04Å; F182-A185 PolarHBondContact O-N 3.22Å; F182-A185 VanDerWaalsContact O-N 3.1Å; F182-V186 HydrophobicContact CD1-CG2 3.93Å; F182-V186 HydrophobicContact CE1-CG2 3.82Å; F182-V186 VanDerWaalsContact O-CG2 3.26Å; F182-V186 WeakPolarHBondContact O-CG2 3.3Å; F182-V186 PolarHBondContact O-N 3.44Å
183L49.1Very low51Low76 Ų7665.7 Ų65.740%0.39833%0.327SS..Hα-helixtrans-58.5-40.1174.2-72.8170.8000112.2A179 Q180 A185 V186 D187A179-L183 WeakPolarHBondContact O-CB 3.26Å; A179-L183 VanDerWaalsContact O-CG 3.25Å; A179-L183 WeakPolarHBondContact O-CG 3.48Å; A179-L183 PolarHBondContact O-N 3.31Å; Q180-L183 PolarHBondContact O-N 2.99Å; L183-A185 PolarHBondContact O-N 3.04Å; L183-V186 WeakPolarHBondContact O-CB 3.28Å; L183-V186 PolarHBondContact O-N 3.43Å; L183-D187 WeakPolarHBondContact O-CB 3.45Å; L183-D187 PolarHBondContact O-N 3.32Å
184N47.9Very low48.9Very low77 Ų7768.1 Ų68.141%0.41234%0.342SS..Hα-helixtrans-63.6-40.6175.1-69.5-15.1000111.8Q180 L181 F182 V186 F188Q180-N184 PolarHBondContact NE2-OD1 3.01Å; Q180-N184 WeakPolarHBondContact O-CB 3.34Å; Q180-N184 PolarHBondContact O-N 3.14Å; Q180-N184 PolarHBondContact O-ND2 3.23Å; Q180-N184 PolarHBondContact O-OD1 3.23Å; L181-N184 PolarHBondContact O-N 3.39Å; F182-N184 VanDerWaalsContact C-N 3.29Å; F182-N184 PolarHBondContact O-N 2.95Å; N184-V186 VanDerWaalsContact C-N 3.32Å; N184-F188 VanDerWaalsContact O-CB 3.25Å; N184-F188 WeakPolarHBondContact O-CB 3.31Å; N184-F188 PolarHBondContact O-N 3.34Å
185A47.5Very low46.9Very low39 Ų3970.7 Ų70.732%0.32236%0.361SS..Hα-helixtrans-65.5-36175.300000111.9V140 L181 F182 L183 F188 K189V140-A185 HydrophobicContact CG2-CB 4.14Å; L181-A185 WeakPolarHBondContact O-CB 3.44Å; L181-A185 PolarHBondContact O-N 3.39Å; F182-A185 WeakPolarHBondContact O-CB 3.04Å; F182-A185 PolarHBondContact O-N 3.22Å; F182-A185 VanDerWaalsContact O-N 3.1Å; L183-A185 PolarHBondContact O-N 3.04Å; A185-F188 WeakPolarHBondContact O-CB 3.43Å; A185-F188 PolarHBondContact O-N 3.18Å; A185-K189 PolarHBondContact O-N 3.16Å
186V42.1Very low45Very low32 Ų3271.7 Ų71.719%0.19437%0.365CS..Hα-helixtrans-66.7-51174175.40000111.6I85 F182 L183 N184 F188 K189 H190I85-V186 HydrophobicContact CB-CG2 4.14Å; I85-V186 HydrophobicContact CD1-CG1 4.15Å; I85-V186 HydrophobicContact CD1-CG2 4.35Å; I85-V186 HydrophobicContact CG2-CG2 3.26Å; F182-V186 HydrophobicContact CD1-CG2 3.93Å; F182-V186 HydrophobicContact CE1-CG2 3.82Å; F182-V186 VanDerWaalsContact O-CG2 3.26Å; F182-V186 WeakPolarHBondContact O-CG2 3.3Å; F182-V186 PolarHBondContact O-N 3.44Å; L183-V186 WeakPolarHBondContact O-CB 3.28Å; L183-V186 PolarHBondContact O-N 3.43Å; N184-V186 VanDerWaalsContact C-N 3.32Å; V186-F188 PolarHBondContact O-N 3.18Å; V186-K189 PolarHBondContact O-N 3.2Å; V186-H190 PolarHBondContact O-CD2 3.4Å; V186-H190 PolarHBondContact O-N 2.82Å
187D38.6Very low43.7Very low91 Ų9172.6 Ų72.649%0.48736%0.363SS..Hα-helixtrans-56.9-35175.6-87.3-11.5000110.8L183 N191L183-D187 WeakPolarHBondContact O-CB 3.45Å; L183-D187 PolarHBondContact O-N 3.32Å; D187-N191 WeakPolarHBondContact O-CB 3.34Å; D187-N191 PolarHBondContact O-N 3.15Å; D187-N191 PolarHBondContact O-ND2 3.29Å
188F40.1Very low42Very low59 Ų5976.3 Ų76.326%0.25938%0.381SS..Hα-helixtrans-66.7-50.6176.4-168.6-107.1000112.5N184 A185 V186 H190 F192 D194 S195N184-F188 VanDerWaalsContact O-CB 3.25Å; N184-F188 WeakPolarHBondContact O-CB 3.31Å; N184-F188 PolarHBondContact O-N 3.34Å; A185-F188 WeakPolarHBondContact O-CB 3.43Å; A185-F188 PolarHBondContact O-N 3.18Å; V186-F188 PolarHBondContact O-N 3.18Å; F188-H190 VanDerWaalsContact C-N 3.32Å; F188-H190 PolarHBondContact O-N 3.09Å; F188-F192 PolarHBondContact O-N 3.16Å; F188-F192 VanDerWaalsContact O-O 3.08Å; F188-D194 WeakPolarHBondContact CE2-O 3.21Å; F188-D194 WeakPolarHBondContact CZ-O 3.24Å; F188-S195 VanDerWaalsContact CZ-CA 3.47Å
189K35.5Very low40.4Very low111 Ų11177.4 Ų77.448%0.48339%0.387SS..Hα-helixtrans-63.9-36.3-179.9-170.8176.3-170.7165.30112.8E139 A185 V186E139-K189 IonicContact OE1-NZ 3.98Å; E139-K189 PolarHBondContact OE1-NZ 3.25Å; E139-K189 WeakPolarHBondContact OE2-CD 3.5Å; E139-K189 IonicContact OE2-NZ 2.93Å; E139-K189 PolarHBondContact OE2-NZ 3.26Å; A185-K189 PolarHBondContact O-N 3.16Å; V186-K189 PolarHBondContact O-N 3.2Å
190H38.8Very low38.9Very low102 Ų10280.3 Ų80.347%0.47240%0.401SS..Hα-helixtrans-92.5-30-173.5-73.4-70.9000114.3I85 V186 F188I85-H190 WeakPolarHBondContact CD1-NE2 3.44Å; V186-H190 PolarHBondContact O-CD2 3.4Å; V186-H190 PolarHBondContact O-N 2.82Å; F188-H190 VanDerWaalsContact C-N 3.32Å; F188-H190 PolarHBondContact O-N 3.09Å
191N33.6Very low37.6Very low101 Ų10179.2 Ų79.254%0.5440%0.401SS..Hα-helixtrans-98.7-13.4179.1-63.6-53.4000113.9D187D187-N191 WeakPolarHBondContact O-CB 3.34Å; D187-N191 PolarHBondContact O-N 3.15Å; D187-N191 PolarHBondContact O-ND2 3.29Å
192F34.5Very low36.1Very low108 Ų10882.3 Ų82.347%0.47442%0.418SS..  trans-141.3116.8-170.9-66.3-82.7000114.5F188 D194F188-F192 PolarHBondContact O-N 3.16Å; F188-F192 VanDerWaalsContact O-O 3.08Å; F192-D194 PolarHBondContact O-N 2.63Å; F192-D194 VanDerWaalsContact O-N 3.12Å
193Y32.3Very low34.8Very low220 Ų22083.6 Ų83.686%0.86343%0.426SS*.SBendtrans-72.318164.6-96.2-86.1000114
194D31.6Very low33.6Very low88 Ų8885.8 Ų85.847%0.47144%0.443SS..  trans-127.696.6-174.8-153.8-23000113F188 F192 S196F188-D194 WeakPolarHBondContact CE2-O 3.21Å; F188-D194 WeakPolarHBondContact CZ-O 3.24Å; F192-D194 PolarHBondContact O-N 2.63Å; F192-D194 VanDerWaalsContact O-N 3.12Å; D194-S196 VanDerWaalsContact CG-OG 3.27Å; D194-S196 PolarHBondContact O-N 3.13Å; D194-S196 VanDerWaalsContact O-N 3.13Å; D194-S196 WeakPolarHBondContact OD1-CB 3.11Å; D194-S196 PolarHBondContact OD1-N 3.43Å; D194-S196 PolarHBondContact OD1-OG 3.14Å
195S32.3Very low32.7Very low55 Ų5585.9 Ų85.939%0.38544%0.443SS..THydrogen-bonded Turntrans-69.12.5-178.4-172.70000114.8F188 Y197F188-S195 VanDerWaalsContact CZ-CA 3.47Å; S195-Y197 PolarHBondContact O-N 2.74Å; S195-Y197 VanDerWaalsContact O-N 3.14Å
196S31.4Very low31.7Very low34 Ų3489.9 Ų89.924%0.23846%0.459CS..THydrogen-bonded Turntrans-71.3-7.3-17044.50000115D194D194-S196 VanDerWaalsContact CG-OG 3.27Å; D194-S196 PolarHBondContact O-N 3.13Å; D194-S196 VanDerWaalsContact O-N 3.13Å; D194-S196 WeakPolarHBondContact OD1-CB 3.11Å; D194-S196 PolarHBondContact OD1-N 3.43Å; D194-S196 PolarHBondContact OD1-OG 3.14Å
197Y34.5Very low31.3Very low111 Ų11192.8 Ų92.844%0.43547%0.473SS..Hα-helixtrans-86.6-25.2-167.1-134.2-91.5000116.6S195 L199 Y374S195-Y197 PolarHBondContact O-N 2.74Å; S195-Y197 VanDerWaalsContact O-N 3.14Å; Y197-L199 PolarHBondContact O-N 3Å; Y197-Y374 AromaticContact CZ-CE1 3.97Å; Y197-Y374 WeakPolarHBondContact OH-CD1 3.43Å; Y197-Y374 VanDerWaalsContact OH-CE1 3.25Å; Y197-Y374 WeakPolarHBondContact OH-CE1 3.46Å
198L27.9Very low30.8Very low100 Ų10094.9 Ų94.952%0.52448%0.484SS..Hα-helixtrans-74.3-11.5178.5-98.3163.7000113.8F144F144-L198 HydrophobicContact CD1-CD2 4.36Å; F144-L198 HydrophobicContact CD2-CD2 4.1Å; F144-L198 HydrophobicContact CE1-CD2 3.83Å; F144-L198 HydrophobicContact CE2-CD2 3.54Å; F144-L198 HydrophobicContact CG-CD2 4.48Å; F144-L198 HydrophobicContact CZ-CD2 3.38Å
199L30.2Very low30.3Very low29 Ų29100.5 Ų100.515%0.15251%0.511CS..Hα-helixtrans-99.2-23.7-177.9-84.9131.2000114.5Y197 L203 L234 L239 L253Y197-L199 PolarHBondContact O-N 3Å; L199-L203 HydrophobicContact CD2-CD1 4.29Å; L199-L234 HydrophobicContact CD2-CD2 3.58Å; L199-L239 HydrophobicContact CD1-CD1 3.68Å; L199-L239 HydrophobicContact CD2-CD1 3.51Å; L199-L239 HydrophobicContact CG-CD1 4.01Å; L199-L253 HydrophobicContact CB-CD1 4.32Å; L199-L253 HydrophobicContact CD1-CD1 3.44Å; L199-L253 VanDerWaalsContact CD1-CD1 3.44Å; L199-L253 HydrophobicContact CD2-CD1 3.81Å; L199-L253 HydrophobicContact CG-CD1 4.02Å
200V27.6Very low30.1Very low90 Ų90101.3 Ų101.355%0.54553%0.528SS..Hα-helixtrans-78.6-30.7-177-178.20000111.6N202V200-N202 VanDerWaalsContact C-N 3.27Å; V200-N202 PolarHBondContact O-N 3.39Å
201T26.4Very low29.7Very low80 Ų80103.1 Ų103.149%0.49155%0.546SS..THydrogen-bonded Turntrans-71-17.5-177.245.70000114.5
202N24.5Very low29.6Very low87 Ų87102.7 Ų102.747%0.46555%0.551SS.*THydrogen-bonded Turntrans-125.49.4-177.3-78.1-28.1000115.1V200V200-N202 VanDerWaalsContact C-N 3.27Å; V200-N202 PolarHBondContact O-N 3.39Å
203L24.9Very low29.8Very low66 Ų66103.6 Ų103.635%0.34657%0.57SS.*  trans-106.265166.8-78.6164.6000109.4L199 L205L199-L203 HydrophobicContact CD2-CD1 4.29Å; L203-L205 PolarHBondContact O-N 2.85Å
204T24.2Very low30Very low121 Ų12195.2 Ų95.274%0.74255%0.551SS**  trans-66.686.9162.9-28.10000107.3D206T204-D206 PolarHBondContact O-N 3.39Å
205L28.9Very low30.3Very low79 Ų79101.8 Ų101.841%0.41457%0.57SS.*  trans-82.189.2173-76.5165.3000107.7L203 L207 I230L203-L205 PolarHBondContact O-N 2.85Å; L205-L207 VanDerWaalsContact C-N 3.29Å; L205-L207 HydrophobicContact CB-CG 4.48Å; L205-L207 PolarHBondContact O-N 3.19Å; L205-I230 HydrophobicContact CD1-CD1 4.41Å; L205-I230 HydrophobicContact CD2-CD1 3.9Å; L205-I230 HydrophobicContact CD2-CG1 4.27Å
206D26.5Very low30.9Very low123 Ų123104.9 Ų104.966%0.65858%0.583SS**  trans-6596.5162.5-82.6-20.4000108T204 D208T204-D206 PolarHBondContact O-N 3.39Å; D206-D208 PolarHBondContact O-N 3.09Å
207L34Very low31.8Very low93 Ų93109.7 Ų109.749%0.48760%0.601SS.*  trans-91.439.9166.8-66.8177.1000109.9L205 E209 K226L205-L207 VanDerWaalsContact C-N 3.29Å; L205-L207 HydrophobicContact CB-CG 4.48Å; L205-L207 PolarHBondContact O-N 3.19Å; L207-E209 PolarHBondContact O-N 3.05Å; L207-K226 HydrophobicContact CD2-CD 4.03Å
208D27.5Very low32.5Very low136 Ų136113 Ų11373%0.72762%0.618SS**  trans-79100.1170.4-79.7-17.1000109.2D206D206-D208 PolarHBondContact O-N 3.09Å
209E29Very low33.4Very low177 Ų177113.9 Ų113.983%0.82762%0.618SS**  trans-151.8124.4140.7-116179-162.600110L207L207-E209 PolarHBondContact O-N 3.05Å
210P31.4Very low34.7Very low128 Ų128120 Ų12083%0.83164%0.643SS**  trans-70155.2-166.724-32.1000114.9S212P210-S212 PolarHBondContact O-N 3.12Å; P210-S212 VanDerWaalsContact O-N 3.16Å
211V30.6Very low36.4Very low140 Ų140119.1 Ų119.185%0.84864%0.638SS**  trans-66.4104.7-173.5-176.60000111.4
212S31.4Very low37.9Very low92 Ų92118 Ų11864%0.64363%0.634SS**  trans-105.2139.5155.7-179.20000110.4P210 G214P210-S212 PolarHBondContact O-N 3.12Å; P210-S212 VanDerWaalsContact O-N 3.16Å; S212-G214 VanDerWaalsContact C-N 3.26Å; S212-G214 PolarHBondContact O-N 2.96Å
213S39.6Very low39.4Very low126 Ų126118.2 Ų118.288%0.88163%0.628SS**SBendtrans-76.724.5-159.648.40000116.5
214G35.5Very low41.2Very low44 Ų44121.5 Ų121.545%0.45464%0.639SS.*  trans-99.299.8170.200000111.3S212 D216S212-G214 VanDerWaalsContact C-N 3.26Å; S212-G214 PolarHBondContact O-N 2.96Å; G214-D216 PolarHBondContact O-N 3.42Å
215Y37.4Very low43.2Very low226 Ų226122.5 Ų122.589%0.88663%0.634SS**  trans-78.173172.3-162-86.6000108.8
216D46.3Very low44.4Very low121 Ų121122.9 Ų122.965%0.64763%0.632SS**SBendtrans-140.6137.2-170-146.5-11.2000111.8G214 K218 K219G214-D216 PolarHBondContact O-N 3.42Å; D216-K218 PolarHBondContact O-N 2.88Å; D216-K219 PolarHBondContact O-N 3.39Å
217E50.1Low45.9Very low134 Ų134118.7 Ų118.763%0.62661%0.609SS**THydrogen-bonded Turntrans6.6-49.6176.3-82.8-88.6132.900119.5K219 K220 T221E217-K219 PolarHBondContact O-N 2.79Å; E217-K219 VanDerWaalsContact O-N 3.14Å; E217-K220 WeakPolarHBondContact O-CB 3.39Å; E217-K220 PolarHBondContact O-N 3.36Å; E217-T221 PolarHBondContact O-N 3.05Å; E217-T221 PolarHBondContact O-OG1 3.44Å
218K47.7Very low47.4Very low182 Ų182118.7 Ų118.779%0.79161%0.607SS**Hα-helixtrans-49.3-38.6178.2-74.3-178.4177.4178.50113.6D216 T221 S222D216-K218 PolarHBondContact O-N 2.88Å; K218-T221 PolarHBondContact O-N 2.9Å; K218-S222 WeakPolarHBondContact O-CB 3.4Å; K218-S222 PolarHBondContact O-N 3.13Å
219K48Very low48.7Very low118 Ų118115.1 Ų115.151%0.51360%0.596SS.*Hα-helixtrans-68.1-38.5177.5-79.1-175.8-178.7171.20112.9D216 E217 S222 R223D216-K219 PolarHBondContact O-N 3.39Å; E217-K219 PolarHBondContact O-N 2.79Å; E217-K219 VanDerWaalsContact O-N 3.14Å; K219-S222 PolarHBondContact O-N 2.88Å; K219-R223 WeakPolarHBondContact O-CB 3.25Å; K219-R223 PolarHBondContact O-N 2.95Å
220K56.5Low49.9Very low156 Ų156108.4 Ų108.468%0.67857%0.566SS**Hα-helixtrans-63.1-44.2175.5-85.3-177.4176.8174.90110.5E217 R223 K224E217-K220 WeakPolarHBondContact O-CB 3.39Å; E217-K220 PolarHBondContact O-N 3.36Å; K220-R223 PolarHBondContact O-N 2.97Å; K220-K224 WeakPolarHBondContact O-CB 3.36Å; K220-K224 PolarHBondContact O-N 3.41Å
221T64.1Low51.3Low72 Ų72107.7 Ų107.744%0.44255%0.546SS..Hα-helixtrans-64.8-43.4179-49.10000112.1E217 K218 K224 K225E217-T221 PolarHBondContact O-N 3.05Å; E217-T221 PolarHBondContact O-OG1 3.44Å; K218-T221 PolarHBondContact O-N 2.9Å; T221-K224 PolarHBondContact O-N 2.95Å; T221-K225 PolarHBondContact O-N 3.33Å
222S58.2Low52.5Low58 Ų58103.6 Ų103.641%0.40653%0.527SS..Hα-helixtrans-63.7-45.8175.7-178.90000112.2K218 K219 K224 K225 K226K218-S222 WeakPolarHBondContact O-CB 3.4Å; K218-S222 PolarHBondContact O-N 3.13Å; K219-S222 PolarHBondContact O-N 2.88Å; S222-K224 VanDerWaalsContact C-N 3.33Å; S222-K224 PolarHBondContact O-N 3.34Å; S222-K225 PolarHBondContact O-N 2.82Å; S222-K226 PolarHBondContact O-N 3.06Å
223R54.6Low53.3Low91 Ų91100.6 Ų100.634%0.34351%0.508SS..Hα-helixtrans-60.1-42.1176.2-172.2175.4178.3-180-2111.5K219 K220 K226 I227 D245 S246K219-R223 WeakPolarHBondContact O-CB 3.25Å; K219-R223 PolarHBondContact O-N 2.95Å; K220-R223 PolarHBondContact O-N 2.97Å; R223-K226 PolarHBondContact O-N 3.41Å; R223-I227 HydrophobicContact CG-CD1 4.04Å; R223-I227 WeakPolarHBondContact O-CG1 3.38Å; R223-I227 PolarHBondContact O-N 3.02Å; R223-D245 PolarHBondContact NH2-O 3.03Å; R223-S246 PolarHBondContact NH1-O 3.19Å; R223-S246 PolarHBondContact NH2-O 3.22Å
224K64.6Low53.8Low134 Ų13494.8 Ų94.858%0.58347%0.467SS*.Hα-helixtrans-62.5-46.1177.3-167.3178.7178.1-175.90111.9K220 T221 S222 K226 I227 E228K220-K224 WeakPolarHBondContact O-CB 3.36Å; K220-K224 PolarHBondContact O-N 3.41Å; T221-K224 PolarHBondContact O-N 2.95Å; S222-K224 VanDerWaalsContact C-N 3.33Å; S222-K224 PolarHBondContact O-N 3.34Å; K224-K226 PolarHBondContact O-N 3.24Å; K224-I227 PolarHBondContact O-N 3.49Å; K224-E228 WeakPolarHBondContact CE-OE1 3.32Å; K224-E228 WeakPolarHBondContact O-CG 3.29Å; K224-E228 PolarHBondContact O-N 3.1Å
225K64.1Low54.6Low143 Ų14395.8 Ų95.862%0.62247%0.467SS*.Hα-helixtrans-59.9-42.4174.5-75.9-174.2177.6-174.20112.6T221 S222 E228 A229T221-K225 PolarHBondContact O-N 3.33Å; S222-K225 PolarHBondContact O-N 2.82Å; K225-E228 PolarHBondContact O-N 3.35Å; K225-A229 WeakPolarHBondContact O-CB 3.31Å; K225-A229 PolarHBondContact O-N 2.97Å
226K54.3Low55.1Low87 Ų8792.9 Ų92.938%0.37846%0.462SS..Hα-helixtrans-63.2-44.4176.1-73.6-171.8-179.3-169.30111.8L207 S222 R223 K224 E228 A229 I230L207-K226 HydrophobicContact CD2-CD 4.03Å; S222-K226 PolarHBondContact O-N 3.06Å; R223-K226 PolarHBondContact O-N 3.41Å; K224-K226 PolarHBondContact O-N 3.24Å; K226-E228 VanDerWaalsContact C-N 3.33Å; K226-E228 PolarHBondContact O-N 2.85Å; K226-A229 PolarHBondContact O-N 3.03Å; K226-I230 VanDerWaalsContact O-CG1 3.25Å; K226-I230 WeakPolarHBondContact O-CG1 3.4Å; K226-I230 PolarHBondContact O-N 2.91Å
227I59.5Low55.1Low35 Ų3593.7 Ų93.718%0.17946%0.456CS..Hα-helixtrans-62.5-40.7176.6-70.6169.9000111.1R223 K224 I230 R231 L241 V244R223-I227 HydrophobicContact CG-CD1 4.04Å; R223-I227 WeakPolarHBondContact O-CG1 3.38Å; R223-I227 PolarHBondContact O-N 3.02Å; K224-I227 PolarHBondContact O-N 3.49Å; I227-I230 PolarHBondContact O-N 2.96Å; I227-R231 WeakPolarHBondContact O-CB 3.34Å; I227-R231 PolarHBondContact O-N 3.46Å; I227-L241 HydrophobicContact CG2-CD2 3.78Å; I227-V244 HydrophobicContact CD1-CG1 4.22Å
228E64.6Low54.9Low92 Ų9288.4 Ų88.443%0.4344%0.437SS..Hα-helixtrans-64.9-41.6175.4-77168.6-177.900112.2K224 K225 K226 R231 A232K224-E228 WeakPolarHBondContact CE-OE1 3.32Å; K224-E228 WeakPolarHBondContact O-CG 3.29Å; K224-E228 PolarHBondContact O-N 3.1Å; K225-E228 PolarHBondContact O-N 3.35Å; K226-E228 VanDerWaalsContact C-N 3.33Å; K226-E228 PolarHBondContact O-N 2.85Å; E228-R231 PolarHBondContact O-N 3.41Å; E228-A232 PolarHBondContact O-N 2.87Å
229A55.7Low54.9Low62 Ų6281 Ų8151%0.51241%0.406SS..Hα-helixtrans-63.1-42.1174.300000112.2K225 K226 A232 A233K225-A229 WeakPolarHBondContact O-CB 3.31Å; K225-A229 PolarHBondContact O-N 2.97Å; K226-A229 PolarHBondContact O-N 3.03Å; A229-A232 PolarHBondContact O-N 3.4Å; A229-A233 WeakPolarHBondContact O-CB 3.44Å; A229-A233 PolarHBondContact O-N 3.29Å
230I54Low55Low36 Ų3678.2 Ų78.219%0.18540%0.4CS..Hα-helixtrans-62.3-45173.9-68.1164.3000110.1L205 K226 I227 A232 A233 L234 L241L205-I230 HydrophobicContact CD1-CD1 4.41Å; L205-I230 HydrophobicContact CD2-CD1 3.9Å; L205-I230 HydrophobicContact CD2-CG1 4.27Å; K226-I230 VanDerWaalsContact O-CG1 3.25Å; K226-I230 WeakPolarHBondContact O-CG1 3.4Å; K226-I230 PolarHBondContact O-N 2.91Å; I227-I230 PolarHBondContact O-N 2.96Å; I230-A232 VanDerWaalsContact C-N 3.3Å; I230-A232 PolarHBondContact O-N 2.73Å; I230-A233 PolarHBondContact O-N 2.99Å; I230-L234 HydrophobicContact CG2-CD1 3.63Å; I230-L234 HydrophobicContact CG2-CG 4.2Å; I230-L234 WeakPolarHBondContact O-CB 3.3Å; I230-L234 VanDerWaalsContact O-CG 3.24Å; I230-L234 WeakPolarHBondContact O-CG 3.37Å; I230-L234 PolarHBondContact O-N 3.4Å; I230-L241 HydrophobicContact CG2-CD1 4.02Å; I230-L241 HydrophobicContact CG2-CD2 4.38Å
231R59.8Low54.9Low113 Ų11371.6 Ų71.643%0.42637%0.372SS..Hα-helixtrans-60.1-41.5177.5-172.2-178.8-69.2128.3-2.4111.3I227 E228 S235 L241I227-R231 WeakPolarHBondContact O-CB 3.34Å; I227-R231 PolarHBondContact O-N 3.46Å; E228-R231 PolarHBondContact O-N 3.41Å; R231-S235 WeakPolarHBondContact O-CB 3.48Å; R231-S235 PolarHBondContact O-N 3.47Å; R231-S235 PolarHBondContact O-OG 3.38Å; R231-L241 HydrophobicContact CB-CB 4.4Å; R231-L241 HydrophobicContact CB-CD2 4.32Å; R231-L241 HydrophobicContact CG-CB 4.35Å
232A56.1Low54.4Low53 Ų5369.3 Ų69.344%0.43836%0.363SS..Hα-helixtrans-63.6-50175.500000111.7E228 A229 I230 L234 S235 E236E228-A232 PolarHBondContact O-N 2.87Å; A229-A232 PolarHBondContact O-N 3.4Å; I230-A232 VanDerWaalsContact C-N 3.3Å; I230-A232 PolarHBondContact O-N 2.73Å; A232-L234 VanDerWaalsContact C-N 3.28Å; A232-L234 PolarHBondContact O-N 3.19Å; A232-S235 WeakPolarHBondContact O-CB 3.21Å; A232-S235 PolarHBondContact O-N 2.95Å; A232-S235 VanDerWaalsContact O-N 3.09Å; A232-E236 PolarHBondContact O-N 2.7Å
233A48.5Very low54.1Low30 Ų3072.7 Ų72.725%0.24838%0.377CS..Hα-helixtrans-63.1-31.2179.100000113.5A229 I230 R237A229-A233 WeakPolarHBondContact O-CB 3.44Å; A229-A233 PolarHBondContact O-N 3.29Å; I230-A233 PolarHBondContact O-N 2.99Å; A233-R237 WeakPolarHBondContact O-CG 3.25Å; A233-R237 PolarHBondContact O-NH1 3.23Å
234L49.5Very low54.1Low4 Ų470.5 Ų70.52%0.02137%0.373CS..Hα-helixtrans-75.8-38.3172.8-71.1170.4000111.7L199 I230 A232 E236 R237 G238 L239 L241 L253L199-L234 HydrophobicContact CD2-CD2 3.58Å; I230-L234 HydrophobicContact CG2-CD1 3.63Å; I230-L234 HydrophobicContact CG2-CG 4.2Å; I230-L234 WeakPolarHBondContact O-CB 3.3Å; I230-L234 VanDerWaalsContact O-CG 3.24Å; I230-L234 WeakPolarHBondContact O-CG 3.37Å; I230-L234 PolarHBondContact O-N 3.4Å; A232-L234 VanDerWaalsContact C-N 3.28Å; A232-L234 PolarHBondContact O-N 3.19Å; L234-E236 VanDerWaalsContact C-N 3.32Å; L234-E236 PolarHBondContact O-N 2.72Å; L234-R237 CarbonylContact O-C 3.12Å; L234-R237 WeakPolarHBondContact O-CA 3.44Å; L234-R237 WeakPolarHBondContact O-CB 3.26Å; L234-R237 PolarHBondContact O-N 2.85Å; L234-G238 PolarHBondContact O-N 3.03Å; L234-L239 CarbonylContact C-O 3.43Å; L234-L239 HydrophobicContact CB-CB 4.14Å; L234-L239 WeakPolarHBondContact CB-O 3.4Å; L234-L239 HydrophobicContact CD2-CB 4.22Å; L234-L239 HydrophobicContact CD2-CD1 4.08Å; L234-L239 PolarHBondContact O-N 3.35Å; L234-L239 VanDerWaalsContact O-O 3.08Å; L234-L241 HydrophobicContact CD1-CB 3.82Å; L234-L241 HydrophobicContact CD1-CD1 3.54Å; L234-L241 HydrophobicContact CD1-CG 4.27Å; L234-L253 HydrophobicContact CD1-CD2 3.55Å; L234-L253 HydrophobicContact CD2-CD2 3.87Å; L234-L253 HydrophobicContact CG-CD2 4.3Å
235S53.1Low53.2Low65 Ų6568.5 Ų68.546%0.45537%0.369SS..Hα-helixtrans-64-38.5177-58.60000111.4R231 A232 R237 G238 L239R231-S235 WeakPolarHBondContact O-CB 3.48Å; R231-S235 PolarHBondContact O-N 3.47Å; R231-S235 PolarHBondContact O-OG 3.38Å; A232-S235 WeakPolarHBondContact O-CB 3.21Å; A232-S235 PolarHBondContact O-N 2.95Å; A232-S235 VanDerWaalsContact O-N 3.09Å; S235-R237 PolarHBondContact O-N 3.43Å; S235-R237 VanDerWaalsContact O-N 3.16Å; S235-G238 PolarHBondContact O-N 2.9Å; S235-L239 PolarHBondContact N-O 2.69Å
236E48.7Very low52.3Low165 Ų16565.1 Ų65.177%0.77136%0.363SS*.THydrogen-bonded Turntrans-57.2-24.5169.8-74.6177.7-179.700112.9A232 L234A232-E236 PolarHBondContact O-N 2.7Å; L234-E236 VanDerWaalsContact C-N 3.32Å; L234-E236 PolarHBondContact O-N 2.72Å
237R45.6Very low51.7Low138 Ų13866 Ų6652%0.52137%0.372SS..THydrogen-bonded Turntrans-101.111.4179.2-65.8174.5171.278.30.1113.2A233 L234 S235 L239A233-R237 WeakPolarHBondContact O-CG 3.25Å; A233-R237 PolarHBondContact O-NH1 3.23Å; L234-R237 CarbonylContact O-C 3.12Å; L234-R237 WeakPolarHBondContact O-CA 3.44Å; L234-R237 WeakPolarHBondContact O-CB 3.26Å; L234-R237 PolarHBondContact O-N 2.85Å; S235-R237 PolarHBondContact O-N 3.43Å; S235-R237 VanDerWaalsContact O-N 3.16Å; R237-L239 VanDerWaalsContact C-N 3.25Å; R237-L239 HydrophobicContact CB-CD1 4.11Å; R237-L239 PolarHBondContact O-N 2.98Å
238G46.3Very low50.6Low23 Ų2369 Ų6924%0.23739%0.388CS..THydrogen-bonded Turntrans68.121.8-178.600000114.7L234 S235 N256L234-G238 PolarHBondContact O-N 3.03Å; S235-G238 PolarHBondContact O-N 2.9Å; G238-N256 WeakPolarHBondContact CA-ND2 3.47Å; G238-N256 WeakPolarHBondContact O-CB 3.47Å; G238-N256 PolarHBondContact O-N 3.1Å; G238-N256 PolarHBondContact O-ND2 3.09Å
239L47.4Very low49.2Very low27 Ų2766.8 Ų66.814%0.14138%0.379CS..EExtended strand (participates in β ladder)trans-114.9137.2-177.8-65.4163.4000110.5L199 L234 S235 R237L199-L239 HydrophobicContact CD1-CD1 3.68Å; L199-L239 HydrophobicContact CD2-CD1 3.51Å; L199-L239 HydrophobicContact CG-CD1 4.01Å; L234-L239 CarbonylContact C-O 3.43Å; L234-L239 HydrophobicContact CB-CB 4.14Å; L234-L239 WeakPolarHBondContact CB-O 3.4Å; L234-L239 HydrophobicContact CD2-CB 4.22Å; L234-L239 HydrophobicContact CD2-CD1 4.08Å; L234-L239 PolarHBondContact O-N 3.35Å; L234-L239 VanDerWaalsContact O-O 3.08Å; S235-L239 PolarHBondContact N-O 2.69Å; R237-L239 VanDerWaalsContact C-N 3.25Å; R237-L239 HydrophobicContact CB-CD1 4.11Å; R237-L239 PolarHBondContact O-N 2.98Å
240C49.4Very low48.3Very low58 Ų5865.6 Ų65.639%0.39237%0.367SS..EExtended strand (participates in β ladder)trans-100.8127173.8-75.40000111.5G242 L253 T254C240-G242 PolarHBondContact O-N 3.33Å; C240-L253 WeakPolarHBondContact O-CA 3.35Å; C240-T254 PolarHBondContact N-O 3.45Å; C240-T254 PolarHBondContact O-N 3.17Å; C240-T254 VanDerWaalsContact O-N 3.16Å
241L53.9Low47.6Very low17 Ų1764.9 Ų64.99%0.08936%0.364CS..EExtended strand (participates in β ladder)trans-73.8113.3167.4-17079.9000109.9I227 I230 R231 L234 V244 V251I227-L241 HydrophobicContact CG2-CD2 3.78Å; I230-L241 HydrophobicContact CG2-CD1 4.02Å; I230-L241 HydrophobicContact CG2-CD2 4.38Å; R231-L241 HydrophobicContact CB-CB 4.4Å; R231-L241 HydrophobicContact CB-CD2 4.32Å; R231-L241 HydrophobicContact CG-CB 4.35Å; L234-L241 HydrophobicContact CD1-CB 3.82Å; L234-L241 HydrophobicContact CD1-CD1 3.54Å; L234-L241 HydrophobicContact CD1-CG 4.27Å; L241-V244 HydrophobicContact CD2-CG2 4.33Å; L241-V251 HydrophobicContact CD1-CB 4.12Å; L241-V251 HydrophobicContact CD1-CG1 3.17Å; L241-V251 HydrophobicContact CD1-CG2 3.89Å; L241-V251 HydrophobicContact CG-CG1 4.4Å
242G53.9Low46.7Very low24 Ų2460.4 Ų60.425%0.24735%0.35CS..EExtended strand (participates in β ladder)trans-84.5-154.1172.900000113.2C240 S252C240-G242 PolarHBondContact O-N 3.33Å; G242-S252 VanDerWaalsContact CA-OG 3.24Å; G242-S252 WeakPolarHBondContact CA-OG 3.3Å; G242-S252 PolarHBondContact N-O 3.27Å
243D52.5Low46.1Very low130 Ų13058.1 Ų58.170%0.69533%0.331SS*.EExtended strand (participates in β ladder)trans-60.2141.6-172.1-63.9-43.5000112.7S252D243-S252 PolarHBondContact N-OG 2.97Å
244V54.4Low45.8Very low45 Ų4558.6 Ų58.627%0.27333%0.331SS..EExtended strand (participates in β ladder)trans-118.8112.8175.7179.60000108.2I227 L241 I249I227-V244 HydrophobicContact CD1-CG1 4.22Å; L241-V244 HydrophobicContact CD2-CG2 4.33Å; V244-I249 HydrophobicContact CG1-CB 4.42Å; V244-I249 HydrophobicContact CG1-CG1 4.13Å; V244-I249 HydrophobicContact CG1-CG2 4.11Å
245D46.4Very low45.1Very low92 Ų9264.3 Ų64.349%0.49236%0.359SS..  trans-74.5147.8177.3-171.16.4000111.5R223 D247 N248R223-D245 PolarHBondContact NH2-O 3.03Å; D245-D247 VanDerWaalsContact C-N 3.28Å; D245-D247 PolarHBondContact O-N 2.79Å; D245-N248 CarbonylContact C-O 3.57Å; D245-N248 WeakPolarHBondContact CB-O 3.31Å; D245-N248 VanDerWaalsContact O-O 3.07Å
246S45.4Very low44.3Very low71 Ų7165.4 Ų65.450%0.49736%0.359SS..SBendtrans-62.5-35.9-172.452.90000112.3R223R223-S246 PolarHBondContact NH1-O 3.19Å; R223-S246 PolarHBondContact NH2-O 3.22Å
247D41.3Very low43.8Very low105 Ų10567 Ų6756%0.56137%0.367SS*.SBendtrans-104.2-24.4-168.9-66.2-17.3000113.9D245 R270D245-D247 VanDerWaalsContact C-N 3.28Å; D245-D247 PolarHBondContact O-N 2.79Å; D247-R270 PolarHBondContact O-NH1 3.01Å; D247-R270 PolarHBondContact O-NH2 2.93Å
248N35.7Very low43.4Very low98 Ų9863 Ų6352%0.52436%0.36SS..SBendtrans-134124.9171.8-68.9-48.2000106.7D245 S250D245-N248 CarbonylContact C-O 3.57Å; D245-N248 WeakPolarHBondContact CB-O 3.31Å; D245-N248 VanDerWaalsContact O-O 3.07Å; N248-S250 PolarHBondContact O-N 2.9Å
249I36.4Very low42.8Very low46 Ų4674.5 Ų74.524%0.23640%0.396CS..  trans-73.875.2172.2-62.2171.4000106.8V244 V251 N268V244-I249 HydrophobicContact CG1-CB 4.42Å; V244-I249 HydrophobicContact CG1-CG1 4.13Å; V244-I249 HydrophobicContact CG1-CG2 4.11Å; I249-V251 HydrophobicContact CG2-CG2 3.56Å; I249-V251 PolarHBondContact O-N 3.35Å; I249-N268 HydrophobicContact CB-CB 4.41Å; I249-N268 WeakPolarHBondContact O-CB 3.5Å
250S35Very low42.3Very low37 Ų3780.6 Ų80.626%0.25942%0.424SS..EExtended strand (participates in β ladder)trans-71.8111.6160.5163.90000105.3N248 L265N248-S250 PolarHBondContact O-N 2.9Å; S250-L265 WeakPolarHBondContact OG-CD1 3.16Å
251V40.5Very low41.8Very low21 Ų2179.9 Ų79.913%0.12743%0.426CS..EExtended strand (participates in β ladder)trans-100.3121.7174.5166.60000107.7L241 I249 L253 Y264 I266L241-V251 HydrophobicContact CD1-CB 4.12Å; L241-V251 HydrophobicContact CD1-CG1 3.17Å; L241-V251 HydrophobicContact CD1-CG2 3.89Å; L241-V251 HydrophobicContact CG-CG1 4.4Å; I249-V251 HydrophobicContact CG2-CG2 3.56Å; I249-V251 PolarHBondContact O-N 3.35Å; V251-L253 HydrophobicContact CG1-CD2 3.94Å; V251-L253 HydrophobicContact CG1-CG 4.09Å; V251-Y264 VanDerWaalsContact O-O 3.06Å; V251-I266 HydrophobicContact CB-CB 4.29Å; V251-I266 HydrophobicContact CG1-CD1 4.38Å; V251-I266 PolarHBondContact N-O 3.33Å; V251-I266 PolarHBondContact O-N 2.93Å
252S41.8Very low41Very low19 Ų1985.5 Ų85.513%0.13345%0.446CS..EExtended strand (participates in β ladder)trans-89129.4166460000110G242 D243 Y264G242-S252 VanDerWaalsContact CA-OG 3.24Å; G242-S252 WeakPolarHBondContact CA-OG 3.3Å; G242-S252 PolarHBondContact N-O 3.27Å; D243-S252 PolarHBondContact N-OG 2.97Å; S252-Y264 VanDerWaalsContact CA-O 3.27Å; S252-Y264 WeakPolarHBondContact CA-O 3.3Å
253L41.7Very low40.2Very low6 Ų692.2 Ų92.23%0.03147%0.469CS..EExtended strand (participates in β ladder)trans-108.1141.5171-64.9176000109.6L199 L234 C240 V251 Y264 I266L199-L253 HydrophobicContact CB-CD1 4.32Å; L199-L253 HydrophobicContact CD1-CD1 3.44Å; L199-L253 VanDerWaalsContact CD1-CD1 3.44Å; L199-L253 HydrophobicContact CD2-CD1 3.81Å; L199-L253 HydrophobicContact CG-CD1 4.02Å; L234-L253 HydrophobicContact CD1-CD2 3.55Å; L234-L253 HydrophobicContact CD2-CD2 3.87Å; L234-L253 HydrophobicContact CG-CD2 4.3Å; C240-L253 WeakPolarHBondContact O-CA 3.35Å; V251-L253 HydrophobicContact CG1-CD2 3.94Å; V251-L253 HydrophobicContact CG1-CG 4.09Å; L253-Y264 PolarHBondContact N-O 3.17Å; L253-Y264 WeakPolarHBondContact O-CD2 3.49Å; L253-Y264 PolarHBondContact O-N 3.44Å; L253-I266 HydrophobicContact CD1-CD1 3.45Å; L253-I266 VanDerWaalsContact CD1-CD1 3.45Å; L253-I266 HydrophobicContact CG-CD1 4.01Å
254T42.6Very low39.5Very low39 Ų3988.5 Ų88.524%0.23945%0.445CS..EExtended strand (participates in β ladder)trans-129.5131.4174.6-11.30000107.9C240C240-T254 PolarHBondContact N-O 3.45Å; C240-T254 PolarHBondContact O-N 3.17Å; C240-T254 VanDerWaalsContact O-N 3.16Å
255M36.1Very low38.5Very low124 Ų12491.6 Ų91.661%0.61146%0.46SS*.EExtended strand (participates in β ladder)trans-83.1135178.8-162.4177.47600109.7E257M255-E257 PolarHBondContact O-N 3.46Å
256N35.8Very low38Very low88 Ų8888.9 Ų88.947%0.47145%0.445SS..THydrogen-bonded Turntrans-55.3135.7-178.1-79.4-13.1000112.6G238 S258G238-N256 WeakPolarHBondContact CA-ND2 3.47Å; G238-N256 WeakPolarHBondContact O-CB 3.47Å; G238-N256 PolarHBondContact O-N 3.1Å; G238-N256 PolarHBondContact O-ND2 3.09Å; N256-S258 PolarHBondContact O-N 2.7Å
257E38.7Very low37.3Very low198 Ų19893 Ų9393%0.92545%0.454SS*.THydrogen-bonded Turntrans70.12.2164.5-56.9-168.817800120.7M255 R259M255-E257 PolarHBondContact O-N 3.46Å; E257-R259 PolarHBondContact O-N 3.09Å
258S35.9Very low36.8Very low54 Ų5491 Ų9138%0.37844%0.443SS..  trans-74.1122.9162.768.30000110.1N256 E260 G261N256-S258 PolarHBondContact O-N 2.7Å; S258-E260 CarbonylContact O-C 3.56Å; S258-E260 PolarHBondContact O-N 3.04Å; S258-E260 PolarHBondContact OG-O 2.74Å; S258-G261 PolarHBondContact O-N 3.16Å
259R34.9Very low36.5Very low265 Ų26593.6 Ų93.6100%145%0.447SS*.SBendtrans-52.8-24.6172.9-87.7-174.9174.3-175.7-0.9112.8E257E257-R259 PolarHBondContact O-N 3.09Å
260E36.6Very low36Very low156 Ų15698 Ų9873%0.72946%0.46SS*.SBendtrans-10179.9167.8-67.3-179.9176.100109.2S258 R262S258-E260 CarbonylContact O-C 3.56Å; S258-E260 PolarHBondContact O-N 3.04Å; S258-E260 PolarHBondContact OG-O 2.74Å; E260-R262 PolarHBondContact O-N 2.69Å
261G37.7Very low35.6Very low42 Ų42100.6 Ų100.643%0.43348%0.478SS..  trans-63.3107.3173.400000110S258S258-G261 PolarHBondContact O-N 3.16Å
262R37.5Very low34.9Very low136 Ų136107.7 Ų107.751%0.51351%0.507SS..  trans-75.3127.2173.9-71.8-174.6-175.9-178.44.8109.4E260 Y264E260-R262 PolarHBondContact O-N 2.69Å; R262-Y264 HydrophobicContact CB-CE2 3.66Å; R262-Y264 WeakPolarHBondContact CD-OH 3.12Å; R262-Y264 WeakPolarHBondContact O-CD2 3.27Å; R262-Y264 WeakPolarHBondContact O-CE2 3.38Å
263K37Very low34.2Very low164 Ų164113.8 Ų113.871%0.71354%0.537SS*.  trans-89.3124.5172.5-70.4-176.2178.5-174.60109.5
264Y38.6Very low33.6Very low52 Ų52117.3 Ų117.320%0.20456%0.558CS.*EExtended strand (participates in β ladder)trans-107.8131.6175.9-60.9-86.1000111V251 S252 L253 R262V251-Y264 VanDerWaalsContact O-O 3.06Å; S252-Y264 VanDerWaalsContact CA-O 3.27Å; S252-Y264 WeakPolarHBondContact CA-O 3.3Å; L253-Y264 PolarHBondContact N-O 3.17Å; L253-Y264 WeakPolarHBondContact O-CD2 3.49Å; L253-Y264 PolarHBondContact O-N 3.44Å; R262-Y264 HydrophobicContact CB-CE2 3.66Å; R262-Y264 WeakPolarHBondContact CD-OH 3.12Å; R262-Y264 WeakPolarHBondContact O-CD2 3.27Å; R262-Y264 WeakPolarHBondContact O-CE2 3.38Å
265L33.3Very low32.8Very low111 Ų111121.6 Ų121.658%0.58159%0.585SS**EExtended strand (participates in β ladder)trans-88105.4177.3-177.275.1000110.3S250 K267S250-L265 WeakPolarHBondContact OG-CD1 3.16Å; L265-K267 HydrophobicContact CD2-CG 4.04Å; L265-K267 HydrophobicContact CG-CG 4.33Å; L265-K267 PolarHBondContact O-N 2.8Å
266I35.7Very low32.6Very low35 Ų35122.4 Ų122.418%0.17958%0.581CS.*EExtended strand (participates in β ladder)trans-86.6103.8166.1-58.8177.4000107.8V251 L253 N268V251-I266 HydrophobicContact CB-CB 4.29Å; V251-I266 HydrophobicContact CG1-CD1 4.38Å; V251-I266 PolarHBondContact N-O 3.33Å; V251-I266 PolarHBondContact O-N 2.93Å; L253-I266 HydrophobicContact CD1-CD1 3.45Å; L253-I266 VanDerWaalsContact CD1-CD1 3.45Å; L253-I266 HydrophobicContact CG-CD1 4.01Å; I266-N268 PolarHBondContact O-N 2.98Å; I266-N268 VanDerWaalsContact O-N 3.1Å
267K30.1Very low32.1Very low157 Ų157126.6 Ų126.668%0.68360%0.6SS**EExtended strand (participates in β ladder)trans-70.8100.9166.3-72.2-177.5-179.6175.90107.6L265 Y269L265-K267 HydrophobicContact CD2-CG 4.04Å; L265-K267 HydrophobicContact CG-CG 4.33Å; L265-K267 PolarHBondContact O-N 2.8Å; K267-Y269 PolarHBondContact O-N 3.03Å
268N31.2Very low31.8Very low62 Ų62126.5 Ų126.533%0.33260%0.599SS.*  trans-65.2105.7165.3-161.2-16.1000107.1I249 I266 R270I249-N268 HydrophobicContact CB-CB 4.41Å; I249-N268 WeakPolarHBondContact O-CB 3.5Å; I266-N268 PolarHBondContact O-N 2.98Å; I266-N268 VanDerWaalsContact O-N 3.1Å; N268-R270 PolarHBondContact O-N 3.28Å
269Y29.6Very low32Very low154 Ų154129.1 Ų129.160%0.60461%0.609SS**  trans-61.992.1167.1-91.5-99.4000105.8K267 S271 D355K267-Y269 PolarHBondContact O-N 3.03Å; Y269-S271 PolarHBondContact O-N 2.75Å; Y269-D355 HydrophobicContact CE1-CB 4.49Å
270R25.3Very low32.5Very low139 Ų139120.6 Ų120.653%0.52559%0.588SS.*  trans-50.2121.4160.2-88.1-176.6165.2167.72.9105D247 N268 K272D247-R270 PolarHBondContact O-NH1 3.01Å; D247-R270 PolarHBondContact O-NH2 2.93Å; N268-R270 PolarHBondContact O-N 3.28Å; R270-K272 PolarHBondContact O-N 3Å
271S27.8Very low34.2Very low90 Ų90116.5 Ų116.563%0.62958%0.577SS**  trans-54.988.714650.70000104.8Y269 I273Y269-S271 PolarHBondContact O-N 2.75Å; S271-I273 PolarHBondContact O-N 2.65Å
272K25.2Very low36.5Very low171 Ų171115.9 Ų115.974%0.74356%0.561SS**  trans-58.7100.6148-77.7-176.5177.2177.90101.3R270 V274R270-K272 PolarHBondContact O-N 3Å; K272-V274 HydrophobicContact CB-CG2 3.7Å; K272-V274 PolarHBondContact O-N 2.77Å
273I27.7Very low38.8Very low146 Ų146112.7 Ų112.775%0.74956%0.557SS**  trans-5881.5142.4-59.6173.6000102.2S271 T275S271-I273 PolarHBondContact O-N 2.65Å; I273-T275 PolarHBondContact O-N 3.16Å
274V28Very low41Very low80 Ų80111.1 Ų111.149%0.48555%0.552SS.*  trans-61.1107.9155-165.8000099.5K272 R276K272-V274 HydrophobicContact CB-CG2 3.7Å; K272-V274 PolarHBondContact O-N 2.77Å; V274-R276 HydrophobicContact CB-CB 4.33Å; V274-R276 HydrophobicContact CB-CG 4.1Å; V274-R276 HydrophobicContact CG1-CB 4.09Å; V274-R276 HydrophobicContact CG1-CG 3.66Å; V274-R276 PolarHBondContact O-N 3.28Å
275T25.3Very low43.5Very low129 Ų129110.9 Ų110.979%0.79155%0.554SS**  trans-57.568.7147.839.80000105.7I273 M277I273-T275 PolarHBondContact O-N 3.16Å; T275-M277 PolarHBondContact O-N 3.43Å
276R32.2Very low46.1Very low141 Ų141106.6 Ų106.653%0.53254%0.536SS..  trans-65.8111.6166.7-112.6170.9-176.1171.31.8100.2V274 E278 D419V274-R276 HydrophobicContact CB-CB 4.33Å; V274-R276 HydrophobicContact CB-CG 4.1Å; V274-R276 HydrophobicContact CG1-CB 4.09Å; V274-R276 HydrophobicContact CG1-CG 3.66Å; V274-R276 PolarHBondContact O-N 3.28Å; R276-E278 PolarHBondContact O-N 3.24Å; R276-E278 VanDerWaalsContact O-N 3.12Å; R276-D419 IonicContact CZ-OD2 2.85Å; R276-D419 IonicContact NE-OD2 2.71Å; R276-D419 PolarHBondContact NE-OD2 3.28Å; R276-D419 IonicContact NH1-OD2 3.79Å; R276-D419 PolarHBondContact NH1-OD2 3.27Å; R276-D419 IonicContact NH2-OD1 2.63Å; R276-D419 IonicContact NH2-OD2 3.41Å; R276-D419 PolarHBondContact NH2-OD2 3.15Å
277M27Very low48.8Very low177 Ų177113.8 Ų113.887%0.87256%0.562SS**  trans-35.2124.4165.5-72171.316600107T275 N279T275-M277 PolarHBondContact O-N 3.43Å; M277-N279 PolarHBondContact O-N 2.91Å
278E31.1Very low51.8Low195 Ų195114.5 Ų114.591%0.91157%0.567SS**  trans-51.593.6-179.1-68.5175.5165.300108.1R276R276-E278 PolarHBondContact O-N 3.24Å; R276-E278 VanDerWaalsContact O-N 3.12Å
279N39.9Very low54.7Low110 Ų110111.9 Ų111.959%0.58855%0.553SS**  trans-57.6141.2162.5-103.5-10000105.2M277 S281M277-N279 PolarHBondContact O-N 2.91Å; N279-S281 PolarHBondContact O-N 3.12Å
280P46.9Very low57.6Low86 Ų86109.8 Ų109.856%0.55855%0.549SS*.  trans-46.5113.8-178.7-23.128.9000109.1Y282P280-Y282 PolarHBondContact O-N 2.98Å
281S72Confident60.7Low69 Ų69108 Ų10848%0.48356%0.555SS.*  trans-55.6104.1-168.8177.90000109.7N279 T283 H284N279-S281 PolarHBondContact O-N 3.12Å; S281-T283 PolarHBondContact O-N 3.23Å; S281-T283 PolarHBondContact OG-OG1 3.39Å; S281-H284 PolarHBondContact O-CE1 3.21Å; S281-H284 PolarHBondContact O-ND1 3.22Å
282Y86.1Confident63.5Low29 Ų29106 Ų10611%0.11453%0.534CS..G310 helixtrans-62.2-11.1-176.454.9-98000113.4P280 H284 L285 R377 I379 E405 L407 L418P280-Y282 PolarHBondContact O-N 2.98Å; Y282-H284 PolarHBondContact O-N 2.88Å; Y282-H284 VanDerWaalsContact O-N 3.15Å; Y282-L285 VanDerWaalsContact O-CB 3.24Å; Y282-L285 WeakPolarHBondContact O-CB 3.25Å; Y282-L285 PolarHBondContact O-N 3.29Å; Y282-R377 PolarHBondContact OH-NH2 3.42Å; Y282-I379 HydrophobicContact CE2-CG2 4.48Å; Y282-I379 WeakPolarHBondContact OH-CD1 3.28Å; Y282-E405 WeakPolarHBondContact CE2-OE1 3.13Å; Y282-E405 PolarHBondContact OH-OE2 2.83Å; Y282-L407 HydrophobicContact CD2-CD2 3.95Å; Y282-L407 HydrophobicContact CE2-CD2 4.46Å; Y282-L418 HydrophobicContact CD1-CD2 3.71Å; Y282-L418 HydrophobicContact CD2-CD2 3.79Å; Y282-L418 HydrophobicContact CE1-CD2 3.76Å; Y282-L418 HydrophobicContact CE2-CD2 3.85Å; Y282-L418 HydrophobicContact CG-CD2 3.73Å
283T84Confident66.5Low69 Ų69101 Ų10142%0.42352%0.516SS..G310 helixtrans-52.9-33.817858.90000113.5S281 L285 G286 E405S281-T283 PolarHBondContact O-N 3.23Å; S281-T283 PolarHBondContact OG-OG1 3.39Å; T283-L285 PolarHBondContact O-N 2.66Å; T283-G286 PolarHBondContact O-N 2.71Å; T283-G286 VanDerWaalsContact O-N 3.13Å; T283-E405 WeakPolarHBondContact CG2-OE1 3.22Å
284H85.2Confident69.2Low131 Ų13197.9 Ų97.961%0.60651%0.505SS*.G310 helixtrans-69.7-1617873.3-84000113.9S281 Y282 G286S281-H284 PolarHBondContact O-CE1 3.21Å; S281-H284 PolarHBondContact O-ND1 3.22Å; Y282-H284 PolarHBondContact O-N 2.88Å; Y282-H284 VanDerWaalsContact O-N 3.15Å; H284-G286 VanDerWaalsContact C-N 3.26Å
285L89.6Confident71.9Confident48 Ų48102.3 Ų102.325%0.25152%0.52SS..G310 helixtrans-78.9-15.7174.8-56.8173000111.7Y282 T283 V413 V414 H417Y282-L285 VanDerWaalsContact O-CB 3.24Å; Y282-L285 WeakPolarHBondContact O-CB 3.25Å; Y282-L285 PolarHBondContact O-N 3.29Å; T283-L285 PolarHBondContact O-N 2.66Å; L285-V413 HydrophobicContact CD1-CG1 4.46Å; L285-V413 HydrophobicContact CD2-CG1 4.26Å; L285-V414 HydrophobicContact CB-CG1 3.71Å; L285-V414 HydrophobicContact CD1-CB 4.43Å; L285-V414 HydrophobicContact CD1-CG1 4Å; L285-H417 VanDerWaalsContact CD1-CD2 3.47Å; L285-H417 WeakPolarHBondContact CD1-CD2 3.33Å
286G89.3Confident74.7Confident20 Ų2099.6 Ų99.621%0.20651%0.506CS..SBendtrans-83.1149.5174.200000113T283 H284 C408T283-G286 PolarHBondContact O-N 2.71Å; T283-G286 VanDerWaalsContact O-N 3.13Å; H284-G286 VanDerWaalsContact C-N 3.26Å; G286-C408 CarbonylContact C-O 3.48Å; G286-C408 WeakPolarHBondContact CA-O 3.17Å
287R91.9Very high77.2Confident187 Ų18794 Ų9471%0.70649%0.487SS*.BIsolated β-bridgetrans-88.5145.2170.2-57.7178.5-174170.93.2109.6V289 C408R287-V289 PolarHBondContact O-N 3.49Å; R287-C408 PolarHBondContact N-O 2.84Å
288H91.9Very high79.5Confident171 Ų17187.7 Ų87.779%0.79246%0.457SS*.PPolyproline II helixtrans-67.1127.7170.9177.6-87.7000110
289V92.4Very high81.5Confident8 Ų886.1 Ų86.15%0.04845%0.447CS..  trans-113.2121.4171.8-179.80000107.7R287 P385 I388 K389 R392 C408R287-V289 PolarHBondContact O-N 3.49Å; V289-P385 HydrophobicContact CG1-CB 4.34Å; V289-P385 WeakPolarHBondContact CG1-O 3.23Å; V289-P385 HydrophobicContact CG2-CB 3.79Å; V289-I388 HydrophobicContact CB-CG2 4.07Å; V289-I388 HydrophobicContact CG1-CG2 4.18Å; V289-I388 HydrophobicContact CG2-CB 4.28Å; V289-I388 HydrophobicContact CG2-CG2 3.96Å; V289-K389 HydrophobicContact CG1-CB 3.98Å; V289-R392 PolarHBondContact O-NH1 2.81Å; V289-C408 HydrophobicContact CG2-CB 3.35Å
290E91.3Very high83.2Confident109 Ų10982 Ų8251%0.50943%0.425SS..PPolyproline II helixtrans-61.4147.217564.9-170.3-172.800111.3K389E290-K389 WeakPolarHBondContact O-CE 3.14Å; E290-K389 IonicContact OE1-NZ 2.96Å; E290-K389 PolarHBondContact OE1-NZ 3.18Å
291P89.7Confident84.1Confident101 Ų10184 Ų8466%0.65642%0.422SS*.PPolyproline II helixtrans-58.1158.4172.5-23.134.2000112.3N293P291-N293 PolarHBondContact O-N 2.97Å
292Y87.2Confident83.4Confident48 Ų4887 Ų8719%0.18842%0.423CS..PPolyproline II helixtrans-59.2129.2171.8167.2-111.2000111.1P294 D297 Y301 L330 R393Y292-P294 HydrophobicContact CD1-CG 4.42Å; Y292-P294 HydrophobicContact CE1-CB 4.37Å; Y292-P294 HydrophobicContact CE1-CG 3.71Å; Y292-D297 HydrophobicContact CD2-CB 3.53Å; Y292-D297 HydrophobicContact CE2-CB 3.52Å; Y292-Y301 WeakPolarHBondContact OH-CB 3.48Å; Y292-L330 HydrophobicContact CD1-CD1 4.13Å; Y292-L330 HydrophobicContact CD2-CD1 3.34Å; Y292-L330 HydrophobicContact CD2-CD2 4.43Å; Y292-L330 HydrophobicContact CE1-CD1 4.43Å; Y292-L330 HydrophobicContact CE2-CD1 3.7Å; Y292-L330 HydrophobicContact CE2-CD2 3.91Å; Y292-L330 HydrophobicContact CE2-CG 4.48Å; Y292-L330 HydrophobicContact CG-CD1 3.58Å; Y292-R393 HydrophobicContact CD1-CG 4.27Å
293N88Confident81.8Confident67 Ų6793.1 Ų93.136%0.35845%0.447SS..  trans-119.4114.5173175.9-7000109.8P291 E295 S296 D297P291-N293 PolarHBondContact O-N 2.97Å; N293-E295 PolarHBondContact O-N 2.75Å; N293-E295 VanDerWaalsContact O-N 3.07Å; N293-E295 WeakPolarHBondContact OD1-CB 3.28Å; N293-E295 PolarHBondContact OD1-N 3.12Å; N293-S296 WeakPolarHBondContact CB-OG 3.34Å; N293-S296 PolarHBondContact O-N 3.02Å; N293-D297 PolarHBondContact N-OD2 3.31Å; N293-D297 VanDerWaalsContact O-CB 3.23Å; N293-D297 WeakPolarHBondContact O-CB 3.33Å; N293-D297 PolarHBondContact O-N 2.97Å
294P85Confident80.4Confident81 Ų8192.2 Ų92.253%0.52644%0.443SS..THydrogen-bonded Turntrans-54.7-27.1-179.8-25.132.1000115.9Y292Y292-P294 HydrophobicContact CD1-CG 4.42Å; Y292-P294 HydrophobicContact CE1-CB 4.37Å; Y292-P294 HydrophobicContact CE1-CG 3.71Å
295E83.3Confident79.4Confident172 Ų17286.9 Ų86.980%0.80442%0.418SS*.THydrogen-bonded Turntrans-76.6-43.5-179.8-63.6-177174.300112.2N293N293-E295 PolarHBondContact O-N 2.75Å; N293-E295 VanDerWaalsContact O-N 3.07Å; N293-E295 WeakPolarHBondContact OD1-CB 3.28Å; N293-E295 PolarHBondContact OD1-N 3.12Å
296S85.5Confident78.1Confident72 Ų7286.7 Ų86.750%0.50342%0.418SS..THydrogen-bonded Turntrans-93.2-26.4-176.7590000113.8N293N293-S296 WeakPolarHBondContact CB-OG 3.34Å; N293-S296 PolarHBondContact O-N 3.02Å
297D85Confident77.1Confident23 Ų2392.6 Ų92.612%0.12345%0.445CS..  trans-10226.9-177.2-63.1-54.3000112.4Y292 N293 K299 L300 K389Y292-D297 HydrophobicContact CD2-CB 3.53Å; Y292-D297 HydrophobicContact CE2-CB 3.52Å; N293-D297 PolarHBondContact N-OD2 3.31Å; N293-D297 VanDerWaalsContact O-CB 3.23Å; N293-D297 WeakPolarHBondContact O-CB 3.33Å; N293-D297 PolarHBondContact O-N 2.97Å; D297-K299 PolarHBondContact O-N 3.33Å; D297-K299 VanDerWaalsContact O-N 3.08Å; D297-L300 HydrophobicContact CB-CD1 3.99Å; D297-L300 HydrophobicContact CB-CG 4.38Å; D297-L300 WeakPolarHBondContact O-CB 3.06Å; D297-L300 PolarHBondContact O-N 3.38Å; D297-K389 IonicContact OD1-NZ 2.92Å; D297-K389 PolarHBondContact OD1-NZ 3.5Å; D297-K389 WeakPolarHBondContact OD2-CD 3.41Å; D297-K389 IonicContact OD2-NZ 2.85Å; D297-K389 PolarHBondContact OD2-NZ 3.45Å
298D74.9Confident76.6Confident46 Ų4686.8 Ų86.825%0.24643%0.425CS..Hα-helixtrans-56.3-28.5-175.175.6-31.1000113.9L300 R302D298-L300 VanDerWaalsContact C-N 3.34Å; D298-L300 PolarHBondContact O-N 3.35Å; D298-R302 WeakPolarHBondContact O-CB 3.38Å; D298-R302 WeakPolarHBondContact O-CD 3.45Å; D298-R302 WeakPolarHBondContact O-CG 3.4Å; D298-R302 IonicContact OD2-CZ 2.75Å; D298-R302 IonicContact OD2-NH1 3.32Å; D298-R302 PolarHBondContact OD2-NH1 3.05Å; D298-R302 IonicContact OD2-NH2 2.87Å
299K73Confident76.1Confident162 Ų16282.8 Ų82.870%0.70442%0.422SS*.Hα-helixtrans-69.7-24175.8-66.2179-173.4173.60114.2D297D297-K299 PolarHBondContact O-N 3.33Å; D297-K299 VanDerWaalsContact O-N 3.08Å
300L75.4Confident75.8Confident22 Ų2288.2 Ų88.212%0.11545%0.447CS..Hα-helixtrans-78.5-26.1179.1-61.4-179.5000112.5D297 D298 L330 D332 V386 K389D297-L300 HydrophobicContact CB-CD1 3.99Å; D297-L300 HydrophobicContact CB-CG 4.38Å; D297-L300 WeakPolarHBondContact O-CB 3.06Å; D297-L300 PolarHBondContact O-N 3.38Å; D298-L300 VanDerWaalsContact C-N 3.34Å; D298-L300 PolarHBondContact O-N 3.35Å; L300-L330 HydrophobicContact CB-CB 4.48Å; L300-L330 HydrophobicContact CB-CD2 4.21Å; L300-D332 HydrophobicContact CD2-CB 4.45Å; L300-V386 HydrophobicContact CD1-CG1 4.18Å; L300-V386 HydrophobicContact CD2-CG1 3.55Å; L300-K389 HydrophobicContact CD1-CD 4.1Å
301Y64.6Low75.6Confident129 Ų12983.2 Ų83.251%0.50642%0.423SS..Hα-helixtrans-98.4-14.2-172.9-178.9-119.6000113.9Y292 L330Y292-Y301 WeakPolarHBondContact OH-CB 3.48Å; Y301-L330 HydrophobicContact CD2-CD2 4.08Å; Y301-L330 HydrophobicContact CG-CD2 4.44Å
302R57.5Low75.4Confident132 Ų13285.3 Ų85.350%0.49842%0.418SS..SBendtrans-100.1155.2-161.7-79179-176.8160.89.9115.7D298 S304D298-R302 WeakPolarHBondContact O-CB 3.38Å; D298-R302 WeakPolarHBondContact O-CD 3.45Å; D298-R302 WeakPolarHBondContact O-CG 3.4Å; D298-R302 IonicContact OD2-CZ 2.75Å; D298-R302 IonicContact OD2-NH1 3.32Å; D298-R302 PolarHBondContact OD2-NH1 3.05Å; D298-R302 IonicContact OD2-NH2 2.87Å; R302-S304 PolarHBondContact O-N 3.06Å; R302-S304 PolarHBondContact O-OG 3.28Å
303Y52.6Low75.4Confident158 Ų15887.9 Ų87.962%0.6243%0.43SS*.G310 helixtrans-49.38.5168-67-87.9000116.9W305 V306Y303-W305 PolarHBondContact O-N 3.09Å; Y303-V306 HydrophobicContact CD1-CG2 4.36Å; Y303-V306 PolarHBondContact O-N 3.03Å
304S55.3Low75.4Confident49 Ų4986.3 Ų86.334%0.34342%0.42SS..G310 helixtrans-57.7-29.6178.459.60000112.2R302R302-S304 PolarHBondContact O-N 3.06Å; R302-S304 PolarHBondContact O-OG 3.28Å
305W64Low75.4Confident20 Ų2083.6 Ų83.68%0.07640%0.399CS..G310 helixtrans-74.7-27.3-176.5-45.8116.3000114.3Y303 N307 K308 L311 I331 E333 W336Y303-W305 PolarHBondContact O-N 3.09Å; W305-N307 PolarHBondContact O-N 3.49Å; W305-K308 HydrophobicContact CE3-CD 4.01Å; W305-K308 HydrophobicContact CZ3-CD 4.17Å; W305-K308 PolarHBondContact O-N 3.31Å; W305-K308 VanDerWaalsContact O-N 3.15Å; W305-L311 HydrophobicContact CB-CD1 4.42Å; W305-L311 HydrophobicContact CD2-CD1 4.14Å; W305-L311 HydrophobicContact CE3-CD1 3.37Å; W305-L311 HydrophobicContact CZ3-CD1 3.96Å; W305-I331 PolarHBondContact NE1-O 2.78Å; W305-E333 HydrophobicContact CH2-CB 3.44Å; W305-E333 VanDerWaalsContact CH2-CB 3.44Å; W305-E333 HydrophobicContact CH2-CG 4.18Å; W305-E333 HydrophobicContact CZ2-CB 4.48Å; W305-E333 HydrophobicContact CZ3-CB 3.49Å; W305-E333 VanDerWaalsContact CZ3-CB 3.49Å; W305-E333 HydrophobicContact CZ3-CG 3.69Å; W305-W336 HydrophobicContact CB-CZ2 4.21Å; W305-W336 AromaticContact CD1-CE2 3.53Å; W305-W336 AromaticContact CD1-CZ2 3.54Å; W305-W336 AromaticContact CD1-NE1 3.08Å; W305-W336 AromaticContact CD2-CD1 3.86Å; W305-W336 AromaticContact CD2-NE1 3.38Å; W305-W336 AromaticContact CE2-NE1 3.45Å; W305-W336 AromaticContact CG-CD1 3.93Å; W305-W336 AromaticContact CG-CE2 3.69Å; W305-W336 HydrophobicContact CG-CZ2 4.02Å; W305-W336 AromaticContact CG-NE1 3.12Å; W305-W336 AromaticContact NE1-NE1 3.23Å
306V61.9Low75.6Confident43 Ų4380.5 Ų80.526%0.26139%0.387SS..G310 helixtrans-62.4-32.9178-174.20000111.1Y303 Y315Y303-V306 HydrophobicContact CD1-CG2 4.36Å; Y303-V306 PolarHBondContact O-N 3.03Å; V306-Y315 HydrophobicContact CB-CD1 4.49Å; V306-Y315 HydrophobicContact CB-CE1 4.48Å; V306-Y315 HydrophobicContact CG1-CD1 4.46Å; V306-Y315 HydrophobicContact CG1-CE1 4.4Å; V306-Y315 HydrophobicContact CG2-CD1 3.65Å; V306-Y315 HydrophobicContact CG2-CD2 3.7Å; V306-Y315 HydrophobicContact CG2-CE1 3.37Å; V306-Y315 HydrophobicContact CG2-CE2 3.43Å; V306-Y315 VanDerWaalsContact CG2-CE2 3.43Å; V306-Y315 HydrophobicContact CG2-CG 3.79Å
307N69Low75.6Confident144 Ų14480.2 Ų80.277%0.7738%0.378SS*.G310 helixtrans-85.6-13.2-178.9-64.1-30.8000113W305 A309W305-N307 PolarHBondContact O-N 3.49Å; N307-A309 PolarHBondContact O-N 3.48Å
308K80.6Confident75.8Confident65 Ų6581 Ų8128%0.28338%0.379SS..  trans-81.5112.5172.4-71.1-162176.7-171.50109.7W305 E310 L311 R312 E333W305-K308 HydrophobicContact CE3-CD 4.01Å; W305-K308 HydrophobicContact CZ3-CD 4.17Å; W305-K308 PolarHBondContact O-N 3.31Å; W305-K308 VanDerWaalsContact O-N 3.15Å; K308-E310 VanDerWaalsContact C-N 3.29Å; K308-E310 PolarHBondContact O-N 3.07Å; K308-L311 HydrophobicContact CB-CB 4.22Å; K308-L311 HydrophobicContact CB-CD1 4.32Å; K308-L311 HydrophobicContact CB-CG 4.32Å; K308-L311 HydrophobicContact CD-CD1 4.08Å; K308-L311 PolarHBondContact O-N 3.11Å; K308-R312 PolarHBondContact O-N 3.27Å; K308-E333 IonicContact NZ-OE1 2.66Å; K308-E333 PolarHBondContact NZ-OE1 3.34Å; K308-E333 IonicContact NZ-OE2 2.72Å; K308-E333 PolarHBondContact NZ-OE2 2.93Å
309A82.5Confident76.4Confident87 Ų8784.1 Ų84.172%0.71939%0.389SS*.THydrogen-bonded Turntrans-55.9-42-175.200000112.4N307 L311N307-A309 PolarHBondContact O-N 3.48Å; A309-L311 VanDerWaalsContact C-N 3.3Å; A309-L311 PolarHBondContact O-N 3.48Å
310E84.5Confident77.2Confident123 Ų12381.3 Ų81.358%0.57538%0.378SS*.THydrogen-bonded Turntrans-67.1-25.9178.660.3-87.1172.800114.5K308K308-E310 VanDerWaalsContact C-N 3.29Å; K308-E310 PolarHBondContact O-N 3.07Å
311L87.5Confident77.9Confident3 Ų380.8 Ų80.82%0.01638%0.375CS..THydrogen-bonded Turntrans-97.6-17-176.4-62.6-177.5000114.3W305 K308 A309 K313 Y314 Y315 E333 W336 F337W305-L311 HydrophobicContact CB-CD1 4.42Å; W305-L311 HydrophobicContact CD2-CD1 4.14Å; W305-L311 HydrophobicContact CE3-CD1 3.37Å; W305-L311 HydrophobicContact CZ3-CD1 3.96Å; K308-L311 HydrophobicContact CB-CB 4.22Å; K308-L311 HydrophobicContact CB-CD1 4.32Å; K308-L311 HydrophobicContact CB-CG 4.32Å; K308-L311 HydrophobicContact CD-CD1 4.08Å; K308-L311 PolarHBondContact O-N 3.11Å; A309-L311 VanDerWaalsContact C-N 3.3Å; A309-L311 PolarHBondContact O-N 3.48Å; L311-K313 PolarHBondContact O-N 2.99Å; L311-Y314 HydrophobicContact CD2-CD2 4.09Å; L311-Y314 HydrophobicContact CD2-CE2 4.45Å; L311-Y314 PolarHBondContact O-N 2.84Å; L311-Y315 PolarHBondContact O-N 2.93Å; L311-E333 HydrophobicContact CD1-CG 4.21Å; L311-W336 HydrophobicContact CD1-CG 4.39Å; L311-W336 HydrophobicContact CD2-CB 3.98Å; L311-F337 HydrophobicContact CD2-CD1 3.88Å; L311-F337 HydrophobicContact CD2-CE1 4.26Å
312R86.5Confident79.1Confident145 Ų14574.8 Ų74.855%0.54735%0.352SS..Hα-helixtrans-49.7-38.9-177.5-172.6172.5-177.6-96.6-0.3113K308 Y314 Y315 L316K308-R312 PolarHBondContact O-N 3.27Å; R312-Y314 VanDerWaalsContact C-N 3.32Å; R312-Y314 PolarHBondContact O-N 3.4Å; R312-Y315 PolarHBondContact O-N 3.31Å; R312-L316 WeakPolarHBondContact O-CG 3.3Å; R312-L316 PolarHBondContact O-N 3.33Å; R312-L316 VanDerWaalsContact O-N 3.1Å
313K86.1Confident80.5Confident103 Ų10371.4 Ų71.445%0.44835%0.352SS..Hα-helixtrans-65.2-32.2178.575.3-179.1-174.8-1770113.6L311 Q317L311-K313 PolarHBondContact O-N 2.99Å; K313-Q317 PolarHBondContact O-NE2 3.25Å
314Y88Confident82.2Confident33 Ų3367.9 Ų67.913%0.12934%0.338CS..Hα-helixtrans-82.1-38178.2-56.9-73.2000110.9L311 R312 L316 Q317 R318 W336 F337L311-Y314 HydrophobicContact CD2-CD2 4.09Å; L311-Y314 HydrophobicContact CD2-CE2 4.45Å; L311-Y314 PolarHBondContact O-N 2.84Å; R312-Y314 VanDerWaalsContact C-N 3.32Å; R312-Y314 PolarHBondContact O-N 3.4Å; Y314-L316 VanDerWaalsContact C-N 3.27Å; Y314-L316 PolarHBondContact O-N 2.99Å; Y314-Q317 CarbonylContact O-C 3.58Å; Y314-Q317 WeakPolarHBondContact O-CA 3.49Å; Y314-Q317 WeakPolarHBondContact O-CB 3.33Å; Y314-Q317 PolarHBondContact O-N 3.12Å; Y314-R318 PolarHBondContact O-N 3.39Å; Y314-R318 VanDerWaalsContact O-N 3.16Å; Y314-W336 VanDerWaalsContact CB-O 3.24Å; Y314-W336 WeakPolarHBondContact CB-O 3.49Å; Y314-W336 WeakPolarHBondContact CD1-O 3.17Å; Y314-W336 VanDerWaalsContact CG-O 3.29Å; Y314-F337 HydrophobicContact CD1-CB 4.14Å; Y314-F337 HydrophobicContact CD2-CB 4.06Å; Y314-F337 HydrophobicContact CE1-CB 3.63Å; Y314-F337 HydrophobicContact CE2-CB 3.54Å; Y314-F337 HydrophobicContact CE2-CD1 4.34Å; Y314-F337 HydrophobicContact CE2-CG 4.39Å; Y314-F337 HydrophobicContact CG-CB 4.34Å
315Y86.6Confident83.7Confident24 Ų2466.9 Ų66.99%0.09433%0.327CS..Hα-helixtrans-56.7-40.2172179.9-92.6000112.7V306 L311 R312 Q317 R318 W336V306-Y315 HydrophobicContact CB-CD1 4.49Å; V306-Y315 HydrophobicContact CB-CE1 4.48Å; V306-Y315 HydrophobicContact CG1-CD1 4.46Å; V306-Y315 HydrophobicContact CG1-CE1 4.4Å; V306-Y315 HydrophobicContact CG2-CD1 3.65Å; V306-Y315 HydrophobicContact CG2-CD2 3.7Å; V306-Y315 HydrophobicContact CG2-CE1 3.37Å; V306-Y315 HydrophobicContact CG2-CE2 3.43Å; V306-Y315 VanDerWaalsContact CG2-CE2 3.43Å; V306-Y315 HydrophobicContact CG2-CG 3.79Å; L311-Y315 PolarHBondContact O-N 2.93Å; R312-Y315 PolarHBondContact O-N 3.31Å; Y315-Q317 PolarHBondContact O-N 3.16Å; Y315-R318 VanDerWaalsContact O-CB 3.28Å; Y315-R318 WeakPolarHBondContact O-CB 3.42Å; Y315-R318 WeakPolarHBondContact O-CD 3.31Å; Y315-R318 VanDerWaalsContact O-CG 3.29Å; Y315-R318 WeakPolarHBondContact O-CG 3.17Å; Y315-R318 PolarHBondContact O-N 2.92Å; Y315-R318 VanDerWaalsContact O-N 3.12Å; Y315-R318 PolarHBondContact O-NH1 3.04Å; Y315-W336 AromaticContact CD2-CH2 3.66Å; Y315-W336 HydrophobicContact CD2-CH2 3.66Å; Y315-W336 HydrophobicContact CD2-CZ2 4.15Å; Y315-W336 HydrophobicContact CD2-CZ3 4.27Å; Y315-W336 HydrophobicContact CE2-CH2 4.42Å
316L87Confident84.6Confident107 Ų10770.7 Ų70.756%0.5635%0.345SS*.THydrogen-bonded Turntrans-64.5-19.8174.2-69.1174000113.2R312 Y314R312-L316 WeakPolarHBondContact O-CG 3.3Å; R312-L316 PolarHBondContact O-N 3.33Å; R312-L316 VanDerWaalsContact O-N 3.1Å; Y314-L316 VanDerWaalsContact C-N 3.27Å; Y314-L316 PolarHBondContact O-N 2.99Å
317Q86Confident85.8Confident67 Ų6773.3 Ų73.331%0.31336%0.355SS..THydrogen-bonded Turntrans-101.610176.6-68.7171.280.600112.8K313 Y314 Y315 Y319 H320 L321K313-Q317 PolarHBondContact O-NE2 3.25Å; Y314-Q317 CarbonylContact O-C 3.58Å; Y314-Q317 WeakPolarHBondContact O-CA 3.49Å; Y314-Q317 WeakPolarHBondContact O-CB 3.33Å; Y314-Q317 PolarHBondContact O-N 3.12Å; Y315-Q317 PolarHBondContact O-N 3.16Å; Q317-Y319 PolarHBondContact O-N 3.11Å; Q317-H320 WeakPolarHBondContact O-CA 3.5Å; Q317-H320 WeakPolarHBondContact O-CB 3.14Å; Q317-H320 PolarHBondContact O-N 3.22Å; Q317-L321 PolarHBondContact O-N 3.39Å
318R89.1Confident86.7Confident39 Ų3966.8 Ų66.815%0.14732%0.322CS..Hα-helixtrans-51.2-36.4-172.767.4-166-174.8-81.32.7114.7Y314 Y315 H320 L321 F322 Y325 E326 W336Y314-R318 PolarHBondContact O-N 3.39Å; Y314-R318 VanDerWaalsContact O-N 3.16Å; Y315-R318 VanDerWaalsContact O-CB 3.28Å; Y315-R318 WeakPolarHBondContact O-CB 3.42Å; Y315-R318 WeakPolarHBondContact O-CD 3.31Å; Y315-R318 VanDerWaalsContact O-CG 3.29Å; Y315-R318 WeakPolarHBondContact O-CG 3.17Å; Y315-R318 PolarHBondContact O-N 2.92Å; Y315-R318 VanDerWaalsContact O-N 3.12Å; Y315-R318 PolarHBondContact O-NH1 3.04Å; R318-H320 VanDerWaalsContact C-N 3.31Å; R318-H320 PolarHBondContact O-N 3.06Å; R318-L321 WeakPolarHBondContact O-CB 3.29Å; R318-L321 PolarHBondContact O-N 3.4Å; R318-L321 VanDerWaalsContact O-N 3.08Å; R318-F322 PolarHBondContact O-N 2.9Å; R318-Y325 HydrophobicContact CB-CD1 4.35Å; R318-Y325 HydrophobicContact CB-CD2 4Å; R318-Y325 HydrophobicContact CB-CE2 4.22Å; R318-Y325 HydrophobicContact CB-CG 4.07Å; R318-Y325 HydrophobicContact CG-CD1 3.99Å; R318-Y325 HydrophobicContact CG-CD2 4.5Å; R318-Y325 HydrophobicContact CG-CE1 4.36Å; R318-Y325 HydrophobicContact CG-CG 4.07Å; R318-E326 IonicContact CZ-OE1 2.89Å; R318-E326 IonicContact NE-OE1 3.48Å; R318-E326 PolarHBondContact NE-OE1 2.91Å; R318-E326 IonicContact NH2-OE1 2.62Å; R318-E326 PolarHBondContact NH2-OE1 2.92Å; R318-W336 HydrophobicContact CB-CH2 4.05Å; R318-W336 HydrophobicContact CB-CZ3 3.81Å
319Y87.7Confident87.2Confident111 Ų11164 Ų6444%0.43531%0.31SS..Hα-helixtrans-72.4-20.6177.5-58.8-70.3000114.3Q317 F322 E326Q317-Y319 PolarHBondContact O-N 3.11Å; Y319-F322 WeakPolarHBondContact CA-O 3.46Å; Y319-F322 CarbonylContact O-C 3.51Å; Y319-E326 HydrophobicContact CE1-CG 3.68Å; Y319-E326 WeakPolarHBondContact OH-CG 3.46Å; Y319-E326 PolarHBondContact OH-OE1 3.35Å
320H88.8Confident87.7Confident103 Ų10359.8 Ų59.848%0.47728%0.276SS..Hα-helixtrans-79.9-22.6168.9-63.3-53.9000112.2Q317 R318 P341 E342Q317-H320 WeakPolarHBondContact O-CA 3.5Å; Q317-H320 WeakPolarHBondContact O-CB 3.14Å; Q317-H320 PolarHBondContact O-N 3.22Å; R318-H320 VanDerWaalsContact C-N 3.31Å; R318-H320 PolarHBondContact O-N 3.06Å; H320-P341 CarbonylContact O-C 3.56Å; H320-P341 WeakPolarHBondContact O-CA 3.42Å; H320-E342 PolarHBondContact O-N 3.16Å
321L90.7Very high88.1Confident12 Ų1254.1 Ų54.16%0.06325%0.249CC..Hα-helixtrans-83.3-45.4176.5-54.3-177.5000110.4Q317 R318 W336 V339 P341Q317-L321 PolarHBondContact O-N 3.39Å; R318-L321 WeakPolarHBondContact O-CB 3.29Å; R318-L321 PolarHBondContact O-N 3.4Å; R318-L321 VanDerWaalsContact O-N 3.08Å; L321-W336 HydrophobicContact CD1-CE3 3.97Å; L321-W336 HydrophobicContact CD1-CZ3 4.23Å; L321-V339 HydrophobicContact CB-CG1 3.78Å; L321-V339 HydrophobicContact CD1-CG1 3.84Å; L321-V339 HydrophobicContact CD2-CG1 3.8Å; L321-V339 HydrophobicContact CG-CG1 3.99Å; L321-P341 HydrophobicContact CD2-CG 4.48Å
322F89.5Confident88.3Confident2 Ų254.7 Ų54.71%0.00925%0.252CS..  trans-143.7114.8174.1-67.8-84.7000110.1R318 Y319 R324 Y325 V329 I331 V339 E342 V364 I369 Y398R318-F322 PolarHBondContact O-N 2.9Å; Y319-F322 WeakPolarHBondContact CA-O 3.46Å; Y319-F322 CarbonylContact O-C 3.51Å; F322-R324 PolarHBondContact O-N 2.81Å; F322-Y325 VanDerWaalsContact O-CB 3.3Å; F322-Y325 WeakPolarHBondContact O-CB 3.35Å; F322-Y325 PolarHBondContact O-N 3.12Å; F322-Y325 VanDerWaalsContact O-N 3.11Å; F322-V329 HydrophobicContact CB-CG1 4.04Å; F322-V329 HydrophobicContact CB-CG2 4.19Å; F322-V329 HydrophobicContact CD1-CG1 4.04Å; F322-V329 HydrophobicContact CD2-CG1 3.62Å; F322-V329 HydrophobicContact CE1-CG1 4.37Å; F322-V329 HydrophobicContact CE2-CG1 3.98Å; F322-V329 HydrophobicContact CG-CG1 3.64Å; F322-V329 HydrophobicContact CG-CG2 4.41Å; F322-V329 HydrophobicContact CZ-CG1 4.34Å; F322-I331 HydrophobicContact CD2-CD1 3.73Å; F322-I331 HydrophobicContact CD2-CG1 4.31Å; F322-I331 HydrophobicContact CE2-CD1 3.9Å; F322-I331 HydrophobicContact CE2-CG1 4.12Å; F322-V339 HydrophobicContact CE2-CG1 4.38Å; F322-V339 HydrophobicContact CE2-CG2 3.84Å; F322-V339 HydrophobicContact CZ-CG2 3.87Å; F322-E342 WeakPolarHBondContact CA-OE2 3.48Å; F322-V364 HydrophobicContact CE2-CG2 4.17Å; F322-V364 HydrophobicContact CZ-CG2 3.99Å; F322-I369 HydrophobicContact CE1-CD1 4.11Å; F322-Y398 HydrophobicContact CD1-CE2 4.01Å
323A85.8Confident88.4Confident62 Ų6251.8 Ų51.851%0.51225%0.245SC..THydrogen-bonded Turntrans-59.8-35.2178.200000111.6Y325 E342 Y398A323-Y325 VanDerWaalsContact C-N 3.31Å; A323-Y325 PolarHBondContact O-N 3.38Å; A323-E342 WeakPolarHBondContact CB-OE2 3.49Å; A323-E342 PolarHBondContact N-OE2 3.39Å; A323-Y398 PolarHBondContact N-OH 2.95Å
324R89.7Confident88.7Confident84 Ų8450.2 Ų50.232%0.31724%0.239SC..THydrogen-bonded Turntrans-90.223177.9-57.2-176.673.7-179.4-9.7113.9F322 E326 E327 V329 I397 Y398F322-R324 PolarHBondContact O-N 2.81Å; R324-E326 VanDerWaalsContact C-N 3.27Å; R324-E326 PolarHBondContact O-N 3.04Å; R324-E326 VanDerWaalsContact O-N 3.16Å; R324-E327 HydrophobicContact CB-CG 4.36Å; R324-E327 WeakPolarHBondContact CB-OE1 3.21Å; R324-E327 VanDerWaalsContact CG-OE1 3.28Å; R324-E327 WeakPolarHBondContact CG-OE1 3.34Å; R324-E327 IonicContact CZ-OE1 3.38Å; R324-E327 IonicContact CZ-OE2 3Å; R324-E327 VanDerWaalsContact CZ-OE2 3.29Å; R324-E327 VanDerWaalsContact NE-CD 3.26Å; R324-E327 IonicContact NE-OE1 2.7Å; R324-E327 PolarHBondContact NE-OE1 2.7Å; R324-E327 IonicContact NE-OE2 3.4Å; R324-E327 PolarHBondContact NE-OE2 3.27Å; R324-E327 VanDerWaalsContact NE-OE2 3.16Å; R324-E327 IonicContact NH2-OE1 3.8Å; R324-E327 IonicContact NH2-OE2 2.93Å; R324-E327 PolarHBondContact NH2-OE2 3.11Å; R324-E327 WeakPolarHBondContact O-CB 3.5Å; R324-E327 PolarHBondContact O-N 2.8Å; R324-V329 WeakPolarHBondContact O-CG2 3.28Å; R324-I397 HydrophobicContact CB-CG2 4.15Å; R324-I397 PolarHBondContact NH1-O 2.93Å; R324-I397 PolarHBondContact NH2-O 3.43Å; R324-Y398 HydrophobicContact CB-CE1 4.47Å; R324-Y398 HydrophobicContact CB-CE2 3.9Å; R324-Y398 HydrophobicContact CG-CE1 4.04Å; R324-Y398 HydrophobicContact CG-CE2 4.32Å; R324-Y398 PolarHBondContact N-OH 3.5Å
325Y85.4Confident89Confident28 Ų2848.7 Ų48.711%0.1123%0.233CC..G310 helixtrans-50-44.7-174.2179.6-91.1000113.7R318 F322 A323 E327 G328 V329 I331 W336R318-Y325 HydrophobicContact CB-CD1 4.35Å; R318-Y325 HydrophobicContact CB-CD2 4Å; R318-Y325 HydrophobicContact CB-CE2 4.22Å; R318-Y325 HydrophobicContact CB-CG 4.07Å; R318-Y325 HydrophobicContact CG-CD1 3.99Å; R318-Y325 HydrophobicContact CG-CD2 4.5Å; R318-Y325 HydrophobicContact CG-CE1 4.36Å; R318-Y325 HydrophobicContact CG-CG 4.07Å; F322-Y325 VanDerWaalsContact O-CB 3.3Å; F322-Y325 WeakPolarHBondContact O-CB 3.35Å; F322-Y325 PolarHBondContact O-N 3.12Å; F322-Y325 VanDerWaalsContact O-N 3.11Å; A323-Y325 VanDerWaalsContact C-N 3.31Å; A323-Y325 PolarHBondContact O-N 3.38Å; Y325-E327 PolarHBondContact O-N 2.75Å; Y325-E327 VanDerWaalsContact O-N 3.12Å; Y325-G328 PolarHBondContact O-N 2.94Å; Y325-V329 HydrophobicContact CD2-CB 4.3Å; Y325-V329 HydrophobicContact CD2-CG1 4.42Å; Y325-V329 PolarHBondContact O-N 3.27Å; Y325-I331 HydrophobicContact CD2-CD1 3.98Å; Y325-I331 HydrophobicContact CE2-CD1 3.77Å; Y325-I331 HydrophobicContact CE2-CG1 4.39Å; Y325-W336 AromaticContact CE2-CH2 3.57Å; Y325-W336 HydrophobicContact CE2-CH2 3.57Å; Y325-W336 HydrophobicContact CE2-CZ2 4.09Å; Y325-W336 HydrophobicContact CE2-CZ3 4.48Å; Y325-W336 AromaticContact CZ-CH2 3.82Å
326E84Confident89.2Confident100 Ų10047.7 Ų47.747%0.46723%0.229SC..G310 helixtrans-71.2-4-176.4-60.1-73.415700113.5R318 Y319 R324 G328R318-E326 IonicContact CZ-OE1 2.89Å; R318-E326 IonicContact NE-OE1 3.48Å; R318-E326 PolarHBondContact NE-OE1 2.91Å; R318-E326 IonicContact NH2-OE1 2.62Å; R318-E326 PolarHBondContact NH2-OE1 2.92Å; Y319-E326 HydrophobicContact CE1-CG 3.68Å; Y319-E326 WeakPolarHBondContact OH-CG 3.46Å; Y319-E326 PolarHBondContact OH-OE1 3.35Å; R324-E326 VanDerWaalsContact C-N 3.27Å; R324-E326 PolarHBondContact O-N 3.04Å; R324-E326 VanDerWaalsContact O-N 3.16Å; E326-G328 VanDerWaalsContact C-N 3.31Å
327E87Confident89.4Confident97 Ų9745.6 Ų45.645%0.45322%0.216SC..G310 helixtrans-91.58.1177.3-59.3-177.2-125.400113.3R324 Y325 I397R324-E327 HydrophobicContact CB-CG 4.36Å; R324-E327 WeakPolarHBondContact CB-OE1 3.21Å; R324-E327 VanDerWaalsContact CG-OE1 3.28Å; R324-E327 WeakPolarHBondContact CG-OE1 3.34Å; R324-E327 IonicContact CZ-OE1 3.38Å; R324-E327 IonicContact CZ-OE2 3Å; R324-E327 VanDerWaalsContact CZ-OE2 3.29Å; R324-E327 VanDerWaalsContact NE-CD 3.26Å; R324-E327 IonicContact NE-OE1 2.7Å; R324-E327 PolarHBondContact NE-OE1 2.7Å; R324-E327 IonicContact NE-OE2 3.4Å; R324-E327 PolarHBondContact NE-OE2 3.27Å; R324-E327 VanDerWaalsContact NE-OE2 3.16Å; R324-E327 IonicContact NH2-OE1 3.8Å; R324-E327 IonicContact NH2-OE2 2.93Å; R324-E327 PolarHBondContact NH2-OE2 3.11Å; R324-E327 WeakPolarHBondContact O-CB 3.5Å; R324-E327 PolarHBondContact O-N 2.8Å; Y325-E327 PolarHBondContact O-N 2.75Å; Y325-E327 VanDerWaalsContact O-N 3.12Å; E327-I397 HydrophobicContact CB-CG2 3.78Å; E327-I397 WeakPolarHBondContact O-CD1 3.41Å
328G88.6Confident89.8Confident8 Ų844.6 Ų44.68%0.08222%0.216CC..THydrogen-bonded Turntrans106.326175.100000115.5Y325 E326 L330 I397Y325-G328 PolarHBondContact O-N 2.94Å; E326-G328 VanDerWaalsContact C-N 3.31Å; G328-L330 PolarHBondContact O-N 2.93Å; G328-I397 WeakPolarHBondContact O-CD1 3.49Å
329V90Very high90.1Very high5 Ų543.5 Ų43.53%0.0321%0.214CC..  trans-62.2131.8176.3171.70000109.7F322 R324 Y325 I331 N394 I397 Y398F322-V329 HydrophobicContact CB-CG1 4.04Å; F322-V329 HydrophobicContact CB-CG2 4.19Å; F322-V329 HydrophobicContact CD1-CG1 4.04Å; F322-V329 HydrophobicContact CD2-CG1 3.62Å; F322-V329 HydrophobicContact CE1-CG1 4.37Å; F322-V329 HydrophobicContact CE2-CG1 3.98Å; F322-V329 HydrophobicContact CG-CG1 3.64Å; F322-V329 HydrophobicContact CG-CG2 4.41Å; F322-V329 HydrophobicContact CZ-CG1 4.34Å; R324-V329 WeakPolarHBondContact O-CG2 3.28Å; Y325-V329 HydrophobicContact CD2-CB 4.3Å; Y325-V329 HydrophobicContact CD2-CG1 4.42Å; Y325-V329 PolarHBondContact O-N 3.27Å; V329-I331 HydrophobicContact CG1-CD1 4.28Å; V329-I331 HydrophobicContact CG1-CG1 3.94Å; V329-N394 VanDerWaalsContact CA-OD1 3.26Å; V329-N394 WeakPolarHBondContact CA-OD1 3.37Å; V329-N394 WeakPolarHBondContact CG1-OD1 3.35Å; V329-I397 HydrophobicContact CG2-CD1 4.25Å; V329-Y398 HydrophobicContact CG2-CE2 4.35Å
330L92.9Very high90.5Very high0 Ų038.3 Ų38.30%019%0.194CC..  trans-98.2130.5177.6-56.3-178000110.3Y292 L300 Y301 G328 C390 R393 N394Y292-L330 HydrophobicContact CD1-CD1 4.13Å; Y292-L330 HydrophobicContact CD2-CD1 3.34Å; Y292-L330 HydrophobicContact CD2-CD2 4.43Å; Y292-L330 HydrophobicContact CE1-CD1 4.43Å; Y292-L330 HydrophobicContact CE2-CD1 3.7Å; Y292-L330 HydrophobicContact CE2-CD2 3.91Å; Y292-L330 HydrophobicContact CE2-CG 4.48Å; Y292-L330 HydrophobicContact CG-CD1 3.58Å; L300-L330 HydrophobicContact CB-CB 4.48Å; L300-L330 HydrophobicContact CB-CD2 4.21Å; Y301-L330 HydrophobicContact CD2-CD2 4.08Å; Y301-L330 HydrophobicContact CG-CD2 4.44Å; G328-L330 PolarHBondContact O-N 2.93Å; L330-C390 HydrophobicContact CB-CB 3.91Å; L330-R393 HydrophobicContact CD1-CB 3.74Å; L330-R393 HydrophobicContact CD1-CG 3.71Å; L330-R393 HydrophobicContact CG-CB 4.27Å; L330-R393 HydrophobicContact CG-CG 3.91Å; L330-N394 PolarHBondContact N-OD1 3.22Å; L330-N394 PolarHBondContact O-ND2 2.85Å
331I92.1Very high90.8Very high3 Ų334.6 Ų34.62%0.01518%0.178CC..  trans-136.8119.8178.7-50-176.2000108.2W305 F322 Y325 V329 W336W305-I331 PolarHBondContact NE1-O 2.78Å; F322-I331 HydrophobicContact CD2-CD1 3.73Å; F322-I331 HydrophobicContact CD2-CG1 4.31Å; F322-I331 HydrophobicContact CE2-CD1 3.9Å; F322-I331 HydrophobicContact CE2-CG1 4.12Å; Y325-I331 HydrophobicContact CD2-CD1 3.98Å; Y325-I331 HydrophobicContact CE2-CD1 3.77Å; Y325-I331 HydrophobicContact CE2-CG1 4.39Å; V329-I331 HydrophobicContact CG1-CD1 4.28Å; V329-I331 HydrophobicContact CG1-CG1 3.94Å; I331-W336 HydrophobicContact CB-CZ2 4.31Å; I331-W336 HydrophobicContact CD1-CE3 4.46Å; I331-W336 HydrophobicContact CD1-CH2 4.07Å; I331-W336 HydrophobicContact CD1-CZ2 4.23Å; I331-W336 HydrophobicContact CD1-CZ3 4.17Å; I331-W336 HydrophobicContact CG2-CD2 4.02Å; I331-W336 HydrophobicContact CG2-CG 3.99Å
332D91.9Very high91Very high16 Ų1635.2 Ų35.29%0.08618%0.181CC..  trans-75.8170.5171.472.8-79.4000111.9L300 E334 S335 W336 V364 V386 K387L300-D332 HydrophobicContact CD2-CB 4.45Å; D332-E334 VanDerWaalsContact C-N 3.32Å; D332-E334 PolarHBondContact O-N 3.15Å; D332-E334 PolarHBondContact OD2-N 3.04Å; D332-S335 PolarHBondContact O-N 3.18Å; D332-S335 VanDerWaalsContact O-N 3.15Å; D332-S335 WeakPolarHBondContact OD1-CB 3.34Å; D332-S335 PolarHBondContact OD1-OG 2.82Å; D332-S335 PolarHBondContact OD2-N 3.14Å; D332-W336 VanDerWaalsContact O-CD1 3.3Å; D332-W336 PolarHBondContact O-N 3.16Å; D332-V364 WeakPolarHBondContact OD1-CG1 3.32Å; D332-V386 HydrophobicContact CB-CG1 4.25Å; D332-K387 IonicContact OD1-NZ 3.91Å; D332-K387 PolarHBondContact OD1-NZ 3.3Å; D332-K387 IonicContact OD2-NZ 3.84Å; D332-K387 PolarHBondContact OD2-NZ 2.88Å
333E89.7Confident91Very high84 Ų8438.1 Ų38.139%0.39321%0.205SC..THydrogen-bonded Turntrans-52.1-46.6-173.9-176149.7-170.800113.9W305 K308 L311W305-E333 HydrophobicContact CH2-CB 3.44Å; W305-E333 VanDerWaalsContact CH2-CB 3.44Å; W305-E333 HydrophobicContact CH2-CG 4.18Å; W305-E333 HydrophobicContact CZ2-CB 4.48Å; W305-E333 HydrophobicContact CZ3-CB 3.49Å; W305-E333 VanDerWaalsContact CZ3-CB 3.49Å; W305-E333 HydrophobicContact CZ3-CG 3.69Å; K308-E333 IonicContact NZ-OE1 2.66Å; K308-E333 PolarHBondContact NZ-OE1 3.34Å; K308-E333 IonicContact NZ-OE2 2.72Å; K308-E333 PolarHBondContact NZ-OE2 2.93Å; L311-E333 HydrophobicContact CD1-CG 4.21Å
334E91.8Very high91.4Very high70 Ų7035.4 Ų35.433%0.32718%0.183SC..THydrogen-bonded Turntrans-74-36.4-176.2-172.5-168.6177.700111.2D332 W336 F337 S338 K387D332-E334 VanDerWaalsContact C-N 3.32Å; D332-E334 PolarHBondContact O-N 3.15Å; D332-E334 PolarHBondContact OD2-N 3.04Å; E334-W336 PolarHBondContact O-N 2.88Å; E334-W336 VanDerWaalsContact O-N 3.14Å; E334-F337 HydrophobicContact CB-CE2 4.49Å; E334-F337 HydrophobicContact CB-CZ 4.09Å; E334-F337 HydrophobicContact CG-CE2 3.65Å; E334-F337 HydrophobicContact CG-CZ 3.65Å; E334-F337 WeakPolarHBondContact O-CD2 3.41Å; E334-F337 WeakPolarHBondContact O-CE2 3.4Å; E334-F337 WeakPolarHBondContact O-CG 3.43Å; E334-F337 PolarHBondContact O-N 3.08Å; E334-S338 PolarHBondContact O-N 3.43Å; E334-S338 VanDerWaalsContact O-N 3.13Å; E334-S338 PolarHBondContact O-OG 2.81Å; E334-K387 WeakPolarHBondContact OE2-CE 3.48Å; E334-K387 IonicContact OE2-NZ 2.8Å; E334-K387 PolarHBondContact OE2-NZ 2.58Å
335S94.2Very high91.7Very high1 Ų131.4 Ų31.41%0.00717%0.167CC..Hα-helixtrans-65.8-17.5-175.9-66.50000114.2D332 F337 S338 V339 V364 K387D332-S335 PolarHBondContact O-N 3.18Å; D332-S335 VanDerWaalsContact O-N 3.15Å; D332-S335 WeakPolarHBondContact OD1-CB 3.34Å; D332-S335 PolarHBondContact OD1-OG 2.82Å; D332-S335 PolarHBondContact OD2-N 3.14Å; S335-F337 PolarHBondContact O-N 3.31Å; S335-S338 WeakPolarHBondContact CA-OG 3.46Å; S335-V339 VanDerWaalsContact O-CB 3.28Å; S335-V339 WeakPolarHBondContact O-CB 3.45Å; S335-V339 WeakPolarHBondContact O-CG1 3.49Å; S335-V339 PolarHBondContact O-N 3.05Å; S335-V339 VanDerWaalsContact O-N 3.1Å; S335-V364 WeakPolarHBondContact OG-CG1 3.38Å; S335-K387 PolarHBondContact OG-NZ 3.39Å
336W91.9Very high92.1Very high2 Ų231.4 Ų31.41%0.00817%0.17CC..Hα-helixtrans-58.8-30170.5-81102.8000113.9W305 L311 Y314 Y315 R318 L321 Y325 I331 D332 E334W305-W336 HydrophobicContact CB-CZ2 4.21Å; W305-W336 AromaticContact CD1-CE2 3.53Å; W305-W336 AromaticContact CD1-CZ2 3.54Å; W305-W336 AromaticContact CD1-NE1 3.08Å; W305-W336 AromaticContact CD2-CD1 3.86Å; W305-W336 AromaticContact CD2-NE1 3.38Å; W305-W336 AromaticContact CE2-NE1 3.45Å; W305-W336 AromaticContact CG-CD1 3.93Å; W305-W336 AromaticContact CG-CE2 3.69Å; W305-W336 HydrophobicContact CG-CZ2 4.02Å; W305-W336 AromaticContact CG-NE1 3.12Å; W305-W336 AromaticContact NE1-NE1 3.23Å; L311-W336 HydrophobicContact CD1-CG 4.39Å; L311-W336 HydrophobicContact CD2-CB 3.98Å; Y314-W336 VanDerWaalsContact CB-O 3.24Å; Y314-W336 WeakPolarHBondContact CB-O 3.49Å; Y314-W336 WeakPolarHBondContact CD1-O 3.17Å; Y314-W336 VanDerWaalsContact CG-O 3.29Å; Y315-W336 AromaticContact CD2-CH2 3.66Å; Y315-W336 HydrophobicContact CD2-CH2 3.66Å; Y315-W336 HydrophobicContact CD2-CZ2 4.15Å; Y315-W336 HydrophobicContact CD2-CZ3 4.27Å; Y315-W336 HydrophobicContact CE2-CH2 4.42Å; R318-W336 HydrophobicContact CB-CH2 4.05Å; R318-W336 HydrophobicContact CB-CZ3 3.81Å; L321-W336 HydrophobicContact CD1-CE3 3.97Å; L321-W336 HydrophobicContact CD1-CZ3 4.23Å; Y325-W336 AromaticContact CE2-CH2 3.57Å; Y325-W336 HydrophobicContact CE2-CH2 3.57Å; Y325-W336 HydrophobicContact CE2-CZ2 4.09Å; Y325-W336 HydrophobicContact CE2-CZ3 4.48Å; Y325-W336 AromaticContact CZ-CH2 3.82Å; I331-W336 HydrophobicContact CB-CZ2 4.31Å; I331-W336 HydrophobicContact CD1-CE3 4.46Å; I331-W336 HydrophobicContact CD1-CH2 4.07Å; I331-W336 HydrophobicContact CD1-CZ2 4.23Å; I331-W336 HydrophobicContact CD1-CZ3 4.17Å; I331-W336 HydrophobicContact CG2-CD2 4.02Å; I331-W336 HydrophobicContact CG2-CG 3.99Å; D332-W336 VanDerWaalsContact O-CD1 3.3Å; D332-W336 PolarHBondContact O-N 3.16Å; E334-W336 PolarHBondContact O-N 2.88Å; E334-W336 VanDerWaalsContact O-N 3.14Å
337F91Very high92.5Very high63 Ų6330 Ų3028%0.27616%0.163SC..Hα-helixtrans-116.7-11.9179.756.7-104.6000114.3L311 Y314 E334 S335L311-F337 HydrophobicContact CD2-CD1 3.88Å; L311-F337 HydrophobicContact CD2-CE1 4.26Å; Y314-F337 HydrophobicContact CD1-CB 4.14Å; Y314-F337 HydrophobicContact CD2-CB 4.06Å; Y314-F337 HydrophobicContact CE1-CB 3.63Å; Y314-F337 HydrophobicContact CE2-CB 3.54Å; Y314-F337 HydrophobicContact CE2-CD1 4.34Å; Y314-F337 HydrophobicContact CE2-CG 4.39Å; Y314-F337 HydrophobicContact CG-CB 4.34Å; E334-F337 HydrophobicContact CB-CE2 4.49Å; E334-F337 HydrophobicContact CB-CZ 4.09Å; E334-F337 HydrophobicContact CG-CE2 3.65Å; E334-F337 HydrophobicContact CG-CZ 3.65Å; E334-F337 WeakPolarHBondContact O-CD2 3.41Å; E334-F337 WeakPolarHBondContact O-CE2 3.4Å; E334-F337 WeakPolarHBondContact O-CG 3.43Å; E334-F337 PolarHBondContact O-N 3.08Å; S335-F337 PolarHBondContact O-N 3.31Å
338S94.3Very high92.9Very high46 Ų4625.3 Ų25.332%0.32214%0.142SC..Hα-helixtrans-98.1-21.1177.667.90000114.2E334 S335 T340E334-S338 PolarHBondContact O-N 3.43Å; E334-S338 VanDerWaalsContact O-N 3.13Å; E334-S338 PolarHBondContact O-OG 2.81Å; S335-S338 WeakPolarHBondContact CA-OG 3.46Å; S338-T340 PolarHBondContact O-N 3.12Å
339V95.1Very high93.1Very high16 Ų1625 Ų2510%0.09714%0.138CC..SBendtrans-66.4133.4179.474.90000111.5L321 F322 S335 V364L321-V339 HydrophobicContact CB-CG1 3.78Å; L321-V339 HydrophobicContact CD1-CG1 3.84Å; L321-V339 HydrophobicContact CD2-CG1 3.8Å; L321-V339 HydrophobicContact CG-CG1 3.99Å; F322-V339 HydrophobicContact CE2-CG1 4.38Å; F322-V339 HydrophobicContact CE2-CG2 3.84Å; F322-V339 HydrophobicContact CZ-CG2 3.87Å; S335-V339 VanDerWaalsContact O-CB 3.28Å; S335-V339 WeakPolarHBondContact O-CB 3.45Å; S335-V339 WeakPolarHBondContact O-CG1 3.49Å; S335-V339 PolarHBondContact O-N 3.05Å; S335-V339 VanDerWaalsContact O-N 3.1Å; V339-V364 HydrophobicContact CB-CG2 4.39Å; V339-V364 HydrophobicContact CG2-CG2 4.13Å
340T96.2Very high93Very high3 Ų329.1 Ų29.12%0.01816%0.156CC..PPolyproline II helixtrans-64.4127.6173.9-58.50000109.8S338 E342 I344 A345 N367 F467S338-T340 PolarHBondContact O-N 3.12Å; T340-E342 PolarHBondContact O-N 3.32Å; T340-I344 HydrophobicContact CG2-CB 3.88Å; T340-I344 HydrophobicContact CG2-CG2 3.78Å; T340-A345 HydrophobicContact CG2-CB 4Å; T340-N367 WeakPolarHBondContact CB-ND2 3.32Å; T340-N367 WeakPolarHBondContact CB-OD1 3.46Å; T340-N367 PolarHBondContact OG1-ND2 3.34Å; T340-N367 PolarHBondContact OG1-OD1 3.19Å; T340-F467 HydrophobicContact CG2-CE1 4.16Å; T340-F467 HydrophobicContact CG2-CE2 4.03Å; T340-F467 HydrophobicContact CG2-CZ 3.59Å; T340-F467 VanDerWaalsContact OG1-CE1 3.27Å; T340-F467 WeakPolarHBondContact OG1-CE1 3.26Å
341P94.4Very high93Very high24 Ų2430.9 Ų30.916%0.15616%0.162CC..PPolyproline II helixtrans-53.1135.9172.5-27.335.2000111.5H320 L321 A343 I344 A345 L494H320-P341 CarbonylContact O-C 3.56Å; H320-P341 WeakPolarHBondContact O-CA 3.42Å; L321-P341 HydrophobicContact CD2-CG 4.48Å; P341-A343 VanDerWaalsContact C-N 3.27Å; P341-A343 PolarHBondContact O-N 2.71Å; P341-A343 VanDerWaalsContact O-N 3.14Å; P341-I344 HydrophobicContact CB-CD1 4.36Å; P341-I344 HydrophobicContact CG-CD1 4.23Å; P341-I344 WeakPolarHBondContact O-CB 3.38Å; P341-I344 PolarHBondContact O-N 2.96Å; P341-A345 PolarHBondContact O-N 3.35Å; P341-L494 HydrophobicContact CB-CD1 3.54Å; P341-L494 HydrophobicContact CG-CD1 3.85Å
342E94.6Very high93Very high25 Ų2530.8 Ų30.812%0.11716%0.162CC..Hα-helixtrans-57.2-39.1-167.1-175.7169.5168.200112.9H320 F322 A323 T340 I344 A345 V346 Q370 Y398H320-E342 PolarHBondContact O-N 3.16Å; F322-E342 WeakPolarHBondContact CA-OE2 3.48Å; A323-E342 WeakPolarHBondContact CB-OE2 3.49Å; A323-E342 PolarHBondContact N-OE2 3.39Å; T340-E342 PolarHBondContact O-N 3.32Å; E342-I344 VanDerWaalsContact C-N 3.3Å; E342-I344 PolarHBondContact O-N 3.05Å; E342-A345 WeakPolarHBondContact O-CB 3.42Å; E342-A345 PolarHBondContact O-N 3.13Å; E342-A345 VanDerWaalsContact O-N 3.16Å; E342-V346 HydrophobicContact CG-CG2 4.21Å; E342-V346 WeakPolarHBondContact O-CB 3.3Å; E342-V346 VanDerWaalsContact O-CG2 3.3Å; E342-V346 WeakPolarHBondContact O-CG2 3.49Å; E342-V346 PolarHBondContact O-N 3.27Å; E342-Q370 PolarHBondContact OE1-NE2 3.34Å; E342-Y398 PolarHBondContact OE2-OH 3.39Å
343A91.4Very high92.9Very high63 Ų6332.7 Ų32.752%0.52118%0.18SC..Hα-helixtrans-60.1-39177.600000112.9P341 H347 L494P341-A343 VanDerWaalsContact C-N 3.27Å; P341-A343 PolarHBondContact O-N 2.71Å; P341-A343 VanDerWaalsContact O-N 3.14Å; A343-H347 PolarHBondContact O-N 3.32Å; A343-L494 HydrophobicContact CB-CD2 4.21Å
344I92.5Very high92.9Very high6 Ų629.5 Ų29.53%0.03117%0.166CC..Hα-helixtrans-70.9-43.9175.3-62.9171.8000109.6T340 P341 E342 V346 H347 I348 F467 N492 L494 K499T340-I344 HydrophobicContact CG2-CB 3.88Å; T340-I344 HydrophobicContact CG2-CG2 3.78Å; P341-I344 HydrophobicContact CB-CD1 4.36Å; P341-I344 HydrophobicContact CG-CD1 4.23Å; P341-I344 WeakPolarHBondContact O-CB 3.38Å; P341-I344 PolarHBondContact O-N 2.96Å; E342-I344 VanDerWaalsContact C-N 3.3Å; E342-I344 PolarHBondContact O-N 3.05Å; I344-V346 VanDerWaalsContact C-N 3.31Å; I344-V346 PolarHBondContact O-N 3.48Å; I344-H347 WeakPolarHBondContact O-CB 3.49Å; I344-H347 PolarHBondContact O-N 2.67Å; I344-H347 VanDerWaalsContact O-N 3.15Å; I344-I348 HydrophobicContact CG2-CD1 3.73Å; I344-I348 HydrophobicContact CG2-CG1 4.26Å; I344-I348 WeakPolarHBondContact O-CG1 3.5Å; I344-I348 PolarHBondContact O-N 2.8Å; I344-F467 HydrophobicContact CG2-CE2 3.8Å; I344-F467 HydrophobicContact CG2-CZ 4.27Å; I344-N492 HydrophobicContact CD1-CB 3.79Å; I344-N492 HydrophobicContact CG1-CB 4.08Å; I344-N492 HydrophobicContact CG2-CB 4.13Å; I344-L494 HydrophobicContact CD1-CD1 3.67Å; I344-L494 HydrophobicContact CD1-CG 3.91Å; I344-L494 HydrophobicContact CG1-CD1 4.02Å; I344-L494 HydrophobicContact CG1-CD2 4.3Å; I344-L494 HydrophobicContact CG1-CG 4.11Å; I344-K499 HydrophobicContact CD1-CB 4.09Å
345A97.5Very high92.8Very high0 Ų028 Ų280%016%0.161CC..Hα-helixtrans-59.4-40.9177.900000112.1T340 P341 E342 I348 A349 N367 Q370T340-A345 HydrophobicContact CG2-CB 4Å; P341-A345 PolarHBondContact O-N 3.35Å; E342-A345 WeakPolarHBondContact O-CB 3.42Å; E342-A345 PolarHBondContact O-N 3.13Å; E342-A345 VanDerWaalsContact O-N 3.16Å; A345-I348 PolarHBondContact O-N 3.12Å; A345-A349 VanDerWaalsContact O-CB 3.26Å; A345-A349 WeakPolarHBondContact O-CB 3.34Å; A345-A349 PolarHBondContact O-N 2.89Å; A345-N367 WeakPolarHBondContact CB-OD1 3.46Å; A345-Q370 HydrophobicContact CB-CB 4.38Å; A345-Q370 HydrophobicContact CB-CG 3.75Å
346V92.9Very high92.8Very high28 Ų2828.2 Ų28.217%0.1716%0.162CC..Hα-helixtrans-62-45174.4168.80000111.3E342 I344 A349 K350 Q370 Y374E342-V346 HydrophobicContact CG-CG2 4.21Å; E342-V346 WeakPolarHBondContact O-CB 3.3Å; E342-V346 VanDerWaalsContact O-CG2 3.3Å; E342-V346 WeakPolarHBondContact O-CG2 3.49Å; E342-V346 PolarHBondContact O-N 3.27Å; I344-V346 VanDerWaalsContact C-N 3.31Å; I344-V346 PolarHBondContact O-N 3.48Å; V346-A349 PolarHBondContact O-N 3.15Å; V346-K350 WeakPolarHBondContact O-CG 3.33Å; V346-K350 PolarHBondContact O-N 3.46Å; V346-Q370 HydrophobicContact CG2-CB 4.48Å; V346-Q370 HydrophobicContact CG2-CG 3.93Å; V346-Q370 VanDerWaalsContact CG2-OE1 3.27Å; V346-Y374 HydrophobicContact CG1-CE2 4.38Å
347H93.3Very high93.1Very high69 Ų6928.1 Ų28.132%0.31916%0.162SC..Hα-helixtrans-61-50177.7175.472.2000111.7A343 I344 A349 K350 R351 E490A343-H347 PolarHBondContact O-N 3.32Å; I344-H347 WeakPolarHBondContact O-CB 3.49Å; I344-H347 PolarHBondContact O-N 2.67Å; I344-H347 VanDerWaalsContact O-N 3.15Å; H347-A349 VanDerWaalsContact C-N 3.31Å; H347-A349 PolarHBondContact O-N 2.83Å; H347-K350 WeakPolarHBondContact O-CB 3.47Å; H347-K350 PolarHBondContact O-N 3.34Å; H347-R351 WeakPolarHBondContact O-CG 3.48Å; H347-R351 PolarHBondContact O-N 3.48Å; H347-R351 VanDerWaalsContact O-N 3.11Å; H347-E490 IonicContact CD2-OE1 2.58Å; H347-E490 PolarHBondContact CD2-OE1 3.44Å; H347-E490 VanDerWaalsContact CD2-OE1 3.27Å; H347-E490 IonicContact CD2-OE2 3.62Å; H347-E490 IonicContact CE1-OE2 3.39Å; H347-E490 IonicContact NE2-OE1 3.3Å; H347-E490 PolarHBondContact NE2-OE1 2.79Å; H347-E490 IonicContact NE2-OE2 2.77Å; H347-E490 PolarHBondContact NE2-OE2 2.7Å
348I94.7Very high93.4Very high0 Ų025.1 Ų25.10%015%0.149CC..Hα-helixtrans-59.3-44.8177.4-64.8171.2000110.2I344 A345 K350 R351 C352 F371 F424 V465 F467 T502I344-I348 HydrophobicContact CG2-CD1 3.73Å; I344-I348 HydrophobicContact CG2-CG1 4.26Å; I344-I348 WeakPolarHBondContact O-CG1 3.5Å; I344-I348 PolarHBondContact O-N 2.8Å; A345-I348 PolarHBondContact O-N 3.12Å; I348-K350 VanDerWaalsContact C-N 3.31Å; I348-K350 PolarHBondContact O-N 3.03Å; I348-R351 CarbonylContact O-C 3.52Å; I348-R351 WeakPolarHBondContact O-CA 3.45Å; I348-R351 WeakPolarHBondContact O-CB 3.37Å; I348-R351 PolarHBondContact O-N 3.26Å; I348-C352 WeakPolarHBondContact O-CB 3.28Å; I348-C352 PolarHBondContact O-N 3.45Å; I348-C352 PolarHBondContact O-SG 3.19Å; I348-F371 HydrophobicContact CG2-CE1 4.04Å; I348-F371 HydrophobicContact CG2-CZ 4.15Å; I348-F424 HydrophobicContact CD1-CE2 4.28Å; I348-F424 HydrophobicContact CG2-CD2 4.02Å; I348-F424 HydrophobicContact CG2-CE2 3.72Å; I348-V465 HydrophobicContact CG2-CG1 4.24Å; I348-F467 HydrophobicContact CD1-CD2 3.56Å; I348-F467 HydrophobicContact CD1-CE2 3.67Å; I348-T502 HydrophobicContact CD1-CG2 4.24Å; I348-T502 HydrophobicContact CG1-CG2 4.23Å
349A92.3Very high93.7Very high0 Ų023 Ų230%013%0.133CC..Hα-helixtrans-62.1-36.2-179.900000113.1A345 V346 H347 C352 A353 Q370 F371 Y374A345-A349 VanDerWaalsContact O-CB 3.26Å; A345-A349 WeakPolarHBondContact O-CB 3.34Å; A345-A349 PolarHBondContact O-N 2.89Å; V346-A349 PolarHBondContact O-N 3.15Å; H347-A349 VanDerWaalsContact C-N 3.31Å; H347-A349 PolarHBondContact O-N 2.83Å; A349-C352 CarbonylContact O-C 3.6Å; A349-C352 PolarHBondContact O-N 2.83Å; A349-A353 PolarHBondContact O-N 3.24Å; A349-A353 VanDerWaalsContact O-N 3.11Å; A349-Q370 VanDerWaalsContact CB-C 3.48Å; A349-Q370 HydrophobicContact CB-CB 3.68Å; A349-F371 HydrophobicContact CB-CD1 3.63Å; A349-F371 HydrophobicContact CB-CE1 4.03Å; A349-Y374 HydrophobicContact CB-CD2 3.55Å; A349-Y374 HydrophobicContact CB-CE2 4.12Å; A349-Y374 HydrophobicContact CB-CG 4.43Å
350K88.3Confident93.8Very high93 Ų9322.2 Ų22.240%0.40413%0.129SC..Hα-helixtrans-62.9-42.6170.8-71.8173.8-178.9-177.10112V346 H347 I348 C352 A353 Y374V346-K350 WeakPolarHBondContact O-CG 3.33Å; V346-K350 PolarHBondContact O-N 3.46Å; H347-K350 WeakPolarHBondContact O-CB 3.47Å; H347-K350 PolarHBondContact O-N 3.34Å; I348-K350 VanDerWaalsContact C-N 3.31Å; I348-K350 PolarHBondContact O-N 3.03Å; K350-C352 PolarHBondContact O-N 3.42Å; K350-A353 PolarHBondContact O-N 3.28Å; K350-Y374 HydrophobicContact CD-CE1 4.35Å; K350-Y374 WeakPolarHBondContact CE-OH 3.44Å; K350-Y374 HydrophobicContact CG-CD1 3.95Å; K350-Y374 HydrophobicContact CG-CD2 4.45Å; K350-Y374 HydrophobicContact CG-CE1 3.43Å; K350-Y374 VanDerWaalsContact CG-CE1 3.43Å; K350-Y374 HydrophobicContact CG-CE2 4.01Å; K350-Y374 HydrophobicContact CG-CG 4.45Å; K350-Y374 VanDerWaalsContact CG-CZ 3.47Å
351R92.3Very high93.9Very high36 Ų3623.6 Ų23.614%0.13614%0.135CC..Hα-helixtrans-65.7-28.7177.3-63.5-69.6-72.4104.3-0.9111.8H347 I348 E488 Y504 I508H347-R351 WeakPolarHBondContact O-CG 3.48Å; H347-R351 PolarHBondContact O-N 3.48Å; H347-R351 VanDerWaalsContact O-N 3.11Å; I348-R351 CarbonylContact O-C 3.52Å; I348-R351 WeakPolarHBondContact O-CA 3.45Å; I348-R351 WeakPolarHBondContact O-CB 3.37Å; I348-R351 PolarHBondContact O-N 3.26Å; R351-E488 IonicContact CZ-OE1 3.76Å; R351-E488 IonicContact NE-OE1 3.15Å; R351-E488 VanDerWaalsContact NH2-CD 3.28Å; R351-E488 IonicContact NH2-OE1 3.27Å; R351-E488 PolarHBondContact NH2-OE1 3.21Å; R351-E488 IonicContact NH2-OE2 3.16Å; R351-E488 PolarHBondContact NH2-OE2 2.88Å; R351-Y504 HydrophobicContact CB-CE1 3.74Å; R351-Y504 HydrophobicContact CG-CE1 4.34Å; R351-I508 PolarHBondContact NH2-O 2.97Å; R351-I508 WeakPolarHBondContact O-CD1 3.29Å
352C92.6Very high94.1Very high1 Ų122.8 Ų22.81%0.00713%0.13CC..THydrogen-bonded Turntrans-97.27.3-177.9-56.10000115.2I348 A349 K350 C354 I357 F371 C375 V422 I508I348-C352 WeakPolarHBondContact O-CB 3.28Å; I348-C352 PolarHBondContact O-N 3.45Å; I348-C352 PolarHBondContact O-SG 3.19Å; A349-C352 CarbonylContact O-C 3.6Å; A349-C352 PolarHBondContact O-N 2.83Å; K350-C352 PolarHBondContact O-N 3.42Å; C352-C354 PolarHBondContact O-N 3.43Å; C352-C354 PolarHBondContact O-SG 3.29Å; C352-C354 VanDerWaalsContact O-SG 3.34Å; C352-I357 HydrophobicContact CB-CD1 3.76Å; C352-F371 HydrophobicContact CB-CD1 4.34Å; C352-F371 HydrophobicContact CB-CE1 4Å; C352-C375 PolarHBondContact O-SG 2.85Å; C352-V422 HydrophobicContact CB-CG1 4.36Å; C352-I508 HydrophobicContact CB-CD1 4.26Å
353A90.4Very high94.3Very high57 Ų5722.2 Ų22.247%0.47113%0.13SC..  trans-54.5115.4-17800000111.6A349 K350A349-A353 PolarHBondContact O-N 3.24Å; A349-A353 VanDerWaalsContact O-N 3.11Å; K350-A353 PolarHBondContact O-N 3.28Å
354C88.6Confident94.6Very high16 Ų1619.3 Ų19.311%0.10811%0.106CC..SBendtrans-153-172.7-176.366.40000111.4C352 T356 C375 R376 D421 V422C352-C354 PolarHBondContact O-N 3.43Å; C352-C354 PolarHBondContact O-SG 3.29Å; C352-C354 VanDerWaalsContact O-SG 3.34Å; C354-T356 PolarHBondContact SG-O 3.16Å; C354-C375 WeakPolarHBondContact O-CA 3.33Å; C354-C375 WeakPolarHBondContact O-CB 3.33Å; C354-R376 PolarHBondContact O-N 3.41Å; C354-D421 HydrophobicContact CB-CB 3.73Å; C354-V422 HydrophobicContact CB-CG2 4.16Å
355D89.5Confident94.9Very high39 Ų3919 Ų1921%0.20910%0.104CC..SBendtrans-78.5-57.5177.7-167.762.9000110.7Y269 R376 R377 D421Y269-D355 HydrophobicContact CE1-CB 4.49Å; D355-R376 VanDerWaalsContact CG-NE 3.26Å; D355-R376 WeakPolarHBondContact O-CA 3.46Å; D355-R376 VanDerWaalsContact O-CB 3.31Å; D355-R376 WeakPolarHBondContact O-CB 3.11Å; D355-R376 PolarHBondContact O-N 2.99Å; D355-R376 VanDerWaalsContact OD1-CD 3.29Å; D355-R376 WeakPolarHBondContact OD1-CD 3.27Å; D355-R376 IonicContact OD1-CZ 3.65Å; D355-R376 IonicContact OD1-NE 3.71Å; D355-R376 PolarHBondContact OD1-NE 3.1Å; D355-R376 IonicContact OD1-NH2 3.34Å; D355-R376 IonicContact OD2-CZ 3.29Å; D355-R376 IonicContact OD2-NE 2.65Å; D355-R376 PolarHBondContact OD2-NE 3.02Å; D355-R376 IonicContact OD2-NH2 3.32Å; D355-R376 PolarHBondContact OD2-NH2 2.96Å; D355-R377 PolarHBondContact O-N 3.44Å; D355-D421 WeakPolarHBondContact CA-OD2 3.38Å; D355-D421 WeakPolarHBondContact CB-OD2 3.45Å; D355-D421 PolarHBondContact N-OD2 2.92Å
356T93.9Very high94.9Very high6 Ų619.3 Ų19.34%0.03711%0.107CC..EExtended strand (participates in β ladder)trans-125124.7178-55.60000110.8C354 R377 I379 A420 D421C354-T356 PolarHBondContact SG-O 3.16Å; T356-R377 WeakPolarHBondContact CA-O 3.42Å; T356-R377 HydrophobicContact CG2-CB 4.48Å; T356-R377 HydrophobicContact CG2-CG 4.36Å; T356-I379 HydrophobicContact CG2-CD1 4.08Å; T356-I379 HydrophobicContact CG2-CG1 4.35Å; T356-A420 HydrophobicContact CG2-CB 3.98Å; T356-D421 PolarHBondContact N-OD2 2.88Å; T356-D421 PolarHBondContact O-N 3.29Å
357I98.5Very high95.2Very high0 Ų018.5 Ų18.50%010%0.102CC..EExtended strand (participates in β ladder)trans-117.2140.7172.4-177.2162.8000110.7C352 F371 C375 R377 V378 I379 V422 F424C352-I357 HydrophobicContact CB-CD1 3.76Å; I357-F371 HydrophobicContact CD1-CD1 3.69Å; I357-F371 HydrophobicContact CD1-CD2 4.15Å; I357-F371 HydrophobicContact CD1-CE1 3.76Å; I357-F371 HydrophobicContact CD1-CE2 4.21Å; I357-F371 HydrophobicContact CD1-CG 3.93Å; I357-F371 HydrophobicContact CD1-CZ 4.04Å; I357-F371 HydrophobicContact CG2-CB 3.92Å; I357-F371 HydrophobicContact CG2-CG 4.26Å; I357-C375 HydrophobicContact CG2-CB 3.78Å; I357-R377 PolarHBondContact N-O 2.86Å; I357-V378 HydrophobicContact CG2-CB 4.28Å; I357-V378 HydrophobicContact CG2-CG1 4.18Å; I357-V378 HydrophobicContact CG2-CG2 3.83Å; I357-V378 CarbonylContact O-C 3.56Å; I357-V378 WeakPolarHBondContact O-CA 3.48Å; I357-I379 PolarHBondContact O-N 2.83Å; I357-V422 WeakPolarHBondContact CA-O 3.39Å; I357-V422 HydrophobicContact CB-CB 4.5Å; I357-V422 HydrophobicContact CD1-CB 4.15Å; I357-V422 HydrophobicContact CD1-CG1 3.87Å; I357-V422 HydrophobicContact CG1-CB 4.11Å; I357-V422 HydrophobicContact CG1-CG1 4.2Å; I357-F424 HydrophobicContact CD1-CB 4.32Å
358V98.8Very high95.4Very high0 Ų015.2 Ų15.20%09%0.087CC..EExtended strand (participates in β ladder)trans-99.3122.7169.3173.80000108.7A360 I379 I381 F411 L418 A420 V422 V423 F424V358-A360 HydrophobicContact CG1-CB 4.4Å; V358-I379 CarbonylContact C-O 3.56Å; V358-I379 WeakPolarHBondContact CA-O 3.36Å; V358-I379 HydrophobicContact CG2-CB 4.17Å; V358-I379 HydrophobicContact CG2-CD1 4.3Å; V358-I381 HydrophobicContact CG1-CD1 3.76Å; V358-F411 HydrophobicContact CG1-CE2 4.24Å; V358-L418 HydrophobicContact CG1-CD1 4.17Å; V358-L418 HydrophobicContact CG2-CD1 4.11Å; V358-A420 HydrophobicContact CG2-CB 3.6Å; V358-V422 PolarHBondContact N-O 3.43Å; V358-V423 HydrophobicContact CB-CG2 4.06Å; V358-V423 WeakPolarHBondContact O-CA 3.17Å; V358-F424 PolarHBondContact O-N 2.87Å
359D98.9Very high95.6Very high0 Ų015.2 Ų15.20%09%0.087CC..EExtended strand (participates in β ladder)trans-9898.2165.4-170.9-9.9000107.4F361 C362 T368 F371 V378 I379 I381D359-F361 VanDerWaalsContact C-N 3.28Å; D359-F361 PolarHBondContact O-N 3.22Å; D359-C362 HydrophobicContact CB-CB 4.25Å; D359-T368 PolarHBondContact OD2-N 3.45Å; D359-T368 VanDerWaalsContact OD2-N 3.16Å; D359-T368 PolarHBondContact OD2-OG1 2.94Å; D359-F371 HydrophobicContact CB-CD2 4.25Å; D359-F371 HydrophobicContact CB-CE2 4.3Å; D359-V378 HydrophobicContact CB-CG1 4.41Å; D359-I379 PolarHBondContact N-O 3.26Å; D359-I381 PolarHBondContact O-N 2.86Å
360A98.6Very high95.8Very high1 Ų115.3 Ų15.31%0.0089%0.088CC..THydrogen-bonded Turntrans-73.5-18.1-166.600000114.4V358 I381 F411 V423 F424 L425V358-A360 HydrophobicContact CG1-CB 4.4Å; A360-I381 CarbonylContact C-O 3.6Å; A360-I381 VanDerWaalsContact C-O 3.23Å; A360-I381 VanDerWaalsContact O-O 3.12Å; A360-F411 HydrophobicContact CB-CD1 4.12Å; A360-F411 HydrophobicContact CB-CD2 3.51Å; A360-F411 HydrophobicContact CB-CE1 4.11Å; A360-F411 HydrophobicContact CB-CE2 3.52Å; A360-F411 HydrophobicContact CB-CG 3.82Å; A360-F411 HydrophobicContact CB-CZ 3.83Å; A360-V423 HydrophobicContact CB-CG1 4.46Å; A360-F424 PolarHBondContact N-O 3.3Å; A360-F424 VanDerWaalsContact N-O 3.11Å; A360-L425 HydrophobicContact CB-CD2 3.72Å
361F98.4Very high96.3Very high32 Ų3210.9 Ų10.914%0.147%0.068CC..THydrogen-bonded Turntrans-141.961.5-177-57.2-84.9000108.4D359 G363 I381 F411 L425 P427 M448 I453D359-F361 VanDerWaalsContact C-N 3.28Å; D359-F361 PolarHBondContact O-N 3.22Å; F361-G363 PolarHBondContact O-N 2.9Å; F361-G363 VanDerWaalsContact O-N 3.11Å; F361-I381 CarbonylContact C-O 3.57Å; F361-I381 WeakPolarHBondContact CA-O 3.33Å; F361-I381 PolarHBondContact N-O 3.19Å; F361-F411 HydrophobicContact CE2-CD1 4.32Å; F361-F411 HydrophobicContact CZ-CD1 4.1Å; F361-L425 HydrophobicContact CE2-CD2 4.12Å; F361-P427 HydrophobicContact CD1-CB 4.36Å; F361-P427 HydrophobicContact CD2-CB 4.09Å; F361-P427 HydrophobicContact CE1-CB 4.27Å; F361-P427 HydrophobicContact CE2-CB 4Å; F361-P427 HydrophobicContact CG-CB 4.27Å; F361-P427 HydrophobicContact CZ-CB 4.09Å; F361-M448 HydrophobicContact CE1-CE 4.46Å; F361-M448 HydrophobicContact CE1-SD 4.08Å; F361-M448 HydrophobicContact CZ-SD 4.45Å; F361-I453 HydrophobicContact CE2-CD1 4.33Å; F361-I453 HydrophobicContact CE2-CG2 3.66Å; F361-I453 HydrophobicContact CZ-CD1 3.93Å; F361-I453 HydrophobicContact CZ-CG1 4.17Å; F361-I453 HydrophobicContact CZ-CG2 3.94Å
362C98.5Very high96.3Very high7 Ų79.2 Ų9.25%0.0476%0.062CC..  trans-65.6-21.1-163.568.90000114.1D359 V364 G365 T368 A380 I381D359-C362 HydrophobicContact CB-CB 4.25Å; C362-V364 PolarHBondContact O-N 2.78Å; C362-G365 WeakPolarHBondContact O-CA 3.45Å; C362-G365 PolarHBondContact O-N 2.89Å; C362-T368 WeakPolarHBondContact CB-OG1 3.45Å; C362-A380 HydrophobicContact CB-CB 3.86Å; C362-I381 PolarHBondContact N-O 2.93Å
363G98.1Very high96.1Very high12 Ų1214.4 Ų14.412%0.1248%0.081CC..THydrogen-bonded Turntrans53.2-135.5-174.700000111.3F361 G365 D382 K387 A391F361-G363 PolarHBondContact O-N 2.9Å; F361-G363 VanDerWaalsContact O-N 3.11Å; G363-G365 PolarHBondContact O-N 2.9Å; G363-D382 WeakPolarHBondContact CA-OD2 3.37Å; G363-D382 PolarHBondContact N-OD2 3.44Å; G363-K387 CarbonylContact O-C 3.58Å; G363-A391 WeakPolarHBondContact O-CB 3.4Å
364V97.6Very high96Very high2 Ų213.9 Ų13.91%0.0127%0.067CC..THydrogen-bonded Turntrans-78.815.1175.9-620000113.8F322 D332 S335 V339 C362 C390 A391 N394F322-V364 HydrophobicContact CE2-CG2 4.17Å; F322-V364 HydrophobicContact CZ-CG2 3.99Å; D332-V364 WeakPolarHBondContact OD1-CG1 3.32Å; S335-V364 WeakPolarHBondContact OG-CG1 3.38Å; V339-V364 HydrophobicContact CB-CG2 4.39Å; V339-V364 HydrophobicContact CG2-CG2 4.13Å; C362-V364 PolarHBondContact O-N 2.78Å; V364-C390 HydrophobicContact CB-CB 3.95Å; V364-C390 HydrophobicContact CG1-CB 3.61Å; V364-A391 WeakPolarHBondContact O-CA 3.35Å; V364-N394 PolarHBondContact O-ND2 2.83Å
365G98.4Very high95.8Very high0 Ų013.2 Ų13.20%06%0.063CC..SBendtrans85.915.3169.900000116C362 G363 N367 T368 I369C362-G365 WeakPolarHBondContact O-CA 3.45Å; C362-G365 PolarHBondContact O-N 2.89Å; G363-G365 PolarHBondContact O-N 2.9Å; G365-N367 PolarHBondContact O-N 3.43Å; G365-T368 PolarHBondContact O-N 3.44Å; G365-I369 WeakPolarHBondContact O-CB 3.36Å; G365-I369 WeakPolarHBondContact O-CD1 3.16Å; G365-I369 WeakPolarHBondContact O-CG1 3.34Å; G365-I369 PolarHBondContact O-N 3.01Å
366G98Very high95.5Very high6 Ų617 Ų176%0.0628%0.075CC..Hα-helixtrans-54.3-52.8-178.100000113.6
367N98.8Very high95.5Very high11 Ų1120.9 Ų20.96%0.0599%0.089CC..Hα-helixtrans-76.6-44.1175.9-60.9-72.8000111.8T340 A345 G365 I369 Q370 F371 F424T340-N367 WeakPolarHBondContact CB-ND2 3.32Å; T340-N367 WeakPolarHBondContact CB-OD1 3.46Å; T340-N367 PolarHBondContact OG1-ND2 3.34Å; T340-N367 PolarHBondContact OG1-OD1 3.19Å; A345-N367 WeakPolarHBondContact CB-OD1 3.46Å; G365-N367 PolarHBondContact O-N 3.43Å; N367-I369 VanDerWaalsContact C-N 3.28Å; N367-I369 PolarHBondContact O-N 3.28Å; N367-Q370 CarbonylContact O-C 3.5Å; N367-Q370 WeakPolarHBondContact O-CA 3.45Å; N367-Q370 PolarHBondContact O-N 2.67Å; N367-F371 HydrophobicContact CB-CD2 4.19Å; N367-F371 HydrophobicContact CB-CE2 3.56Å; N367-F371 HydrophobicContact CB-CZ 3.95Å; N367-F371 WeakPolarHBondContact O-CD2 3.26Å; N367-F371 WeakPolarHBondContact O-CG 3.45Å; N367-F371 PolarHBondContact O-N 3.44Å; N367-F424 HydrophobicContact CB-CD1 4.37Å; N367-F424 HydrophobicContact CB-CE1 3.86Å; N367-F424 HydrophobicContact CB-CZ 4.33Å
368T98.8Very high95.5Very high0 Ų020.9 Ų20.90%09%0.089CC..Hα-helixtrans-46.1-48.1176.3-63.10000113.3D359 C362 G365 Q370 F371 A372 V378 A380 I404 F406D359-T368 PolarHBondContact OD2-N 3.45Å; D359-T368 VanDerWaalsContact OD2-N 3.16Å; D359-T368 PolarHBondContact OD2-OG1 2.94Å; C362-T368 WeakPolarHBondContact CB-OG1 3.45Å; G365-T368 PolarHBondContact O-N 3.44Å; T368-Q370 VanDerWaalsContact C-N 3.3Å; T368-Q370 PolarHBondContact O-N 2.86Å; T368-F371 PolarHBondContact O-N 2.94Å; T368-A372 PolarHBondContact O-N 2.8Å; T368-V378 HydrophobicContact CG2-CG1 3.98Å; T368-A380 HydrophobicContact CG2-CB 3.6Å; T368-I404 HydrophobicContact CG2-CB 4.49Å; T368-I404 HydrophobicContact CG2-CD1 3.76Å; T368-I404 HydrophobicContact CG2-CG1 4.02Å; T368-I404 HydrophobicContact CG2-CG2 3.62Å; T368-F406 HydrophobicContact CG2-CE1 4.21Å; T368-F406 HydrophobicContact CG2-CZ 4.5Å
369I97.6Very high95.4Very high1 Ų121.1 Ų21.11%0.0059%0.09CC..Hα-helixtrans-60.4-42.5179.3-74.4164.3000110.8F322 G365 N367 A372 R373 N394 A395 Y398 V400F322-I369 HydrophobicContact CE1-CD1 4.11Å; G365-I369 WeakPolarHBondContact O-CB 3.36Å; G365-I369 WeakPolarHBondContact O-CD1 3.16Å; G365-I369 WeakPolarHBondContact O-CG1 3.34Å; G365-I369 PolarHBondContact O-N 3.01Å; N367-I369 VanDerWaalsContact C-N 3.28Å; N367-I369 PolarHBondContact O-N 3.28Å; I369-A372 PolarHBondContact O-N 2.91Å; I369-R373 WeakPolarHBondContact O-CG 3.23Å; I369-N394 HydrophobicContact CD1-CB 3.57Å; I369-A395 HydrophobicContact CG1-CB 4.17Å; I369-Y398 HydrophobicContact CD1-CD2 4.01Å; I369-Y398 HydrophobicContact CD1-CE2 4.41Å; I369-Y398 HydrophobicContact CD1-CG 4.46Å; I369-Y398 HydrophobicContact CG2-CD1 3.55Å; I369-Y398 HydrophobicContact CG2-CD2 4.02Å; I369-Y398 HydrophobicContact CG2-CE1 4.24Å; I369-Y398 HydrophobicContact CG2-CG 3.42Å; I369-Y398 VanDerWaalsContact CG2-CG 3.42Å; I369-V400 HydrophobicContact CB-CG2 4.48Å; I369-V400 HydrophobicContact CG1-CG2 4.47Å; I369-V400 HydrophobicContact CG2-CG2 4.12Å
370Q97.7Very high95.4Very high2 Ų221.1 Ų21.11%0.0099%0.09CC..Hα-helixtrans-71.9-39.4178.8-51.2-50.7-34.400110.6E342 A345 V346 A349 N367 T368 A372 R373 Y374E342-Q370 PolarHBondContact OE1-NE2 3.34Å; A345-Q370 HydrophobicContact CB-CB 4.38Å; A345-Q370 HydrophobicContact CB-CG 3.75Å; V346-Q370 HydrophobicContact CG2-CB 4.48Å; V346-Q370 HydrophobicContact CG2-CG 3.93Å; V346-Q370 VanDerWaalsContact CG2-OE1 3.27Å; A349-Q370 VanDerWaalsContact CB-C 3.48Å; A349-Q370 HydrophobicContact CB-CB 3.68Å; N367-Q370 CarbonylContact O-C 3.5Å; N367-Q370 WeakPolarHBondContact O-CA 3.45Å; N367-Q370 PolarHBondContact O-N 2.67Å; T368-Q370 VanDerWaalsContact C-N 3.3Å; T368-Q370 PolarHBondContact O-N 2.86Å; Q370-A372 VanDerWaalsContact C-N 3.29Å; Q370-A372 PolarHBondContact O-N 3.1Å; Q370-R373 WeakPolarHBondContact O-CB 3.36Å; Q370-R373 PolarHBondContact O-N 2.83Å; Q370-R373 VanDerWaalsContact OE1-CD 3.28Å; Q370-Y374 VanDerWaalsContact O-CD2 3.23Å; Q370-Y374 WeakPolarHBondContact O-CD2 3.5Å
371F97.8Very high95.4Very high0 Ų021 Ų210%09%0.089CC..Hα-helixtrans-56-42.5172.8-65.5-40.8000112.4I348 A349 C352 I357 D359 N367 T368 R373 Y374 C375 V378 F424I348-F371 HydrophobicContact CG2-CE1 4.04Å; I348-F371 HydrophobicContact CG2-CZ 4.15Å; A349-F371 HydrophobicContact CB-CD1 3.63Å; A349-F371 HydrophobicContact CB-CE1 4.03Å; C352-F371 HydrophobicContact CB-CD1 4.34Å; C352-F371 HydrophobicContact CB-CE1 4Å; I357-F371 HydrophobicContact CD1-CD1 3.69Å; I357-F371 HydrophobicContact CD1-CD2 4.15Å; I357-F371 HydrophobicContact CD1-CE1 3.76Å; I357-F371 HydrophobicContact CD1-CE2 4.21Å; I357-F371 HydrophobicContact CD1-CG 3.93Å; I357-F371 HydrophobicContact CD1-CZ 4.04Å; I357-F371 HydrophobicContact CG2-CB 3.92Å; I357-F371 HydrophobicContact CG2-CG 4.26Å; D359-F371 HydrophobicContact CB-CD2 4.25Å; D359-F371 HydrophobicContact CB-CE2 4.3Å; N367-F371 HydrophobicContact CB-CD2 4.19Å; N367-F371 HydrophobicContact CB-CE2 3.56Å; N367-F371 HydrophobicContact CB-CZ 3.95Å; N367-F371 WeakPolarHBondContact O-CD2 3.26Å; N367-F371 WeakPolarHBondContact O-CG 3.45Å; N367-F371 PolarHBondContact O-N 3.44Å; T368-F371 PolarHBondContact O-N 2.94Å; F371-R373 PolarHBondContact O-N 3.22Å; F371-R373 VanDerWaalsContact O-N 3.12Å; F371-Y374 PolarHBondContact O-N 2.86Å; F371-C375 WeakPolarHBondContact O-CB 3.36Å; F371-C375 PolarHBondContact O-N 3.32Å; F371-V378 HydrophobicContact CB-CG1 4.37Å; F371-V378 HydrophobicContact CB-CG2 3.72Å; F371-F424 HydrophobicContact CE2-CB 3.75Å; F371-F424 AromaticContact CE2-CD1 3.63Å; F371-F424 HydrophobicContact CE2-CD1 3.63Å; F371-F424 HydrophobicContact CE2-CD2 4.33Å; F371-F424 HydrophobicContact CE2-CE1 4.27Å; F371-F424 AromaticContact CE2-CG 3.64Å; F371-F424 HydrophobicContact CE2-CG 3.64Å; F371-F424 HydrophobicContact CZ-CB 3.7Å; F371-F424 AromaticContact CZ-CD1 3.79Å; F371-F424 HydrophobicContact CZ-CD1 3.79Å; F371-F424 AromaticContact CZ-CD2 3.65Å; F371-F424 HydrophobicContact CZ-CD2 3.65Å; F371-F424 HydrophobicContact CZ-CE1 4.28Å; F371-F424 HydrophobicContact CZ-CE2 4.18Å; F371-F424 AromaticContact CZ-CG 3.42Å; F371-F424 HydrophobicContact CZ-CG 3.42Å; F371-F424 VanDerWaalsContact CZ-CG 3.42Å; F371-F424 HydrophobicContact CZ-CZ 4.46Å
372A92.5Very high95.4Very high0 Ų020.3 Ų20.30%09%0.087CC..Hα-helixtrans-64.2-17.9178.600000113.8T368 I369 Q370 V378 V400 R403 I404T368-A372 PolarHBondContact O-N 2.8Å; I369-A372 PolarHBondContact O-N 2.91Å; Q370-A372 VanDerWaalsContact C-N 3.29Å; Q370-A372 PolarHBondContact O-N 3.1Å; A372-V378 HydrophobicContact CB-CG2 3.95Å; A372-V400 HydrophobicContact CB-CB 3.75Å; A372-V400 HydrophobicContact CB-CG1 4.5Å; A372-V400 HydrophobicContact CB-CG2 3.9Å; A372-R403 HydrophobicContact CB-CB 4.21Å; A372-R403 WeakPolarHBondContact O-CD 3.21Å; A372-R403 PolarHBondContact O-NH1 2.52Å; A372-I404 HydrophobicContact CB-CD1 3.71Å; A372-I404 HydrophobicContact CB-CG1 3.59Å
373R89.6Confident95.4Very high111 Ų11124.4 Ų24.442%0.41911%0.107SC..Hα-helixtrans-80.8-25.2173.2-61.4172.671.8174.25.8113.3I369 Q370 F371 V400I369-R373 WeakPolarHBondContact O-CG 3.23Å; Q370-R373 WeakPolarHBondContact O-CB 3.36Å; Q370-R373 PolarHBondContact O-N 2.83Å; Q370-R373 VanDerWaalsContact OE1-CD 3.28Å; F371-R373 PolarHBondContact O-N 3.22Å; F371-R373 VanDerWaalsContact O-N 3.12Å; R373-V400 HydrophobicContact CG-CG1 3.95Å
374Y87.6Confident95.3Very high45 Ų4526.1 Ų26.118%0.17611%0.113CC..Hα-helixtrans-117.6-14.9-173.6-63.9-79.5000114.2Y197 V346 A349 K350 Q370 F371Y197-Y374 AromaticContact CZ-CE1 3.97Å; Y197-Y374 WeakPolarHBondContact OH-CD1 3.43Å; Y197-Y374 VanDerWaalsContact OH-CE1 3.25Å; Y197-Y374 WeakPolarHBondContact OH-CE1 3.46Å; V346-Y374 HydrophobicContact CG1-CE2 4.38Å; A349-Y374 HydrophobicContact CB-CD2 3.55Å; A349-Y374 HydrophobicContact CB-CE2 4.12Å; A349-Y374 HydrophobicContact CB-CG 4.43Å; K350-Y374 HydrophobicContact CD-CE1 4.35Å; K350-Y374 WeakPolarHBondContact CE-OH 3.44Å; K350-Y374 HydrophobicContact CG-CD1 3.95Å; K350-Y374 HydrophobicContact CG-CD2 4.45Å; K350-Y374 HydrophobicContact CG-CE1 3.43Å; K350-Y374 VanDerWaalsContact CG-CE1 3.43Å; K350-Y374 HydrophobicContact CG-CE2 4.01Å; K350-Y374 HydrophobicContact CG-CG 4.45Å; K350-Y374 VanDerWaalsContact CG-CZ 3.47Å; Q370-Y374 VanDerWaalsContact O-CD2 3.23Å; Q370-Y374 WeakPolarHBondContact O-CD2 3.5Å; F371-Y374 PolarHBondContact O-N 2.86Å
375C83.8Confident95.3Very high3 Ų329 Ų292%0.0213%0.132CC..SBendtrans-115151.9178.6-51.30000110.2C352 C354 I357 F371C352-C375 PolarHBondContact O-SG 2.85Å; C354-C375 WeakPolarHBondContact O-CA 3.33Å; C354-C375 WeakPolarHBondContact O-CB 3.33Å; I357-C375 HydrophobicContact CG2-CB 3.78Å; F371-C375 WeakPolarHBondContact O-CB 3.36Å; F371-C375 PolarHBondContact O-N 3.32Å
376R84.4Confident95.1Very high119 Ų11931.6 Ų31.645%0.44915%0.148SC..SBendtrans-68.7-40.4178.7-176.1-174.163.675.13.3111.6C354 D355C354-R376 PolarHBondContact O-N 3.41Å; D355-R376 VanDerWaalsContact CG-NE 3.26Å; D355-R376 WeakPolarHBondContact O-CA 3.46Å; D355-R376 VanDerWaalsContact O-CB 3.31Å; D355-R376 WeakPolarHBondContact O-CB 3.11Å; D355-R376 PolarHBondContact O-N 2.99Å; D355-R376 VanDerWaalsContact OD1-CD 3.29Å; D355-R376 WeakPolarHBondContact OD1-CD 3.27Å; D355-R376 IonicContact OD1-CZ 3.65Å; D355-R376 IonicContact OD1-NE 3.71Å; D355-R376 PolarHBondContact OD1-NE 3.1Å; D355-R376 IonicContact OD1-NH2 3.34Å; D355-R376 IonicContact OD2-CZ 3.29Å; D355-R376 IonicContact OD2-NE 2.65Å; D355-R376 PolarHBondContact OD2-NE 3.02Å; D355-R376 IonicContact OD2-NH2 3.32Å; D355-R376 PolarHBondContact OD2-NH2 2.96Å
377R93.5Very high95Very high87 Ų8731.9 Ų31.933%0.32815%0.148SC..EExtended strand (participates in β ladder)trans-139.7137.3-176.9179.4177.4166.9107.8-15.1110.5Y282 D355 T356 I357 R403 E405Y282-R377 PolarHBondContact OH-NH2 3.42Å; D355-R377 PolarHBondContact O-N 3.44Å; T356-R377 WeakPolarHBondContact CA-O 3.42Å; T356-R377 HydrophobicContact CG2-CB 4.48Å; T356-R377 HydrophobicContact CG2-CG 4.36Å; I357-R377 PolarHBondContact N-O 2.86Å; R377-R403 WeakPolarHBondContact CA-O 3.16Å; R377-E405 IonicContact CZ-OE2 3.23Å; R377-E405 VanDerWaalsContact CZ-OE2 3.27Å; R377-E405 IonicContact NH1-OE2 2.66Å; R377-E405 IonicContact NH2-OE2 3.73Å; R377-E405 PolarHBondContact NH2-OE2 2.87Å
378V97.4Very high95Very high0 Ų031.4 Ų31.40%015%0.145CC..EExtended strand (participates in β ladder)trans-117.5130.1171.8-172.70000108.8I357 D359 T368 F371 A372 A380 R403 I404 E405I357-V378 HydrophobicContact CG2-CB 4.28Å; I357-V378 HydrophobicContact CG2-CG1 4.18Å; I357-V378 HydrophobicContact CG2-CG2 3.83Å; I357-V378 CarbonylContact O-C 3.56Å; I357-V378 WeakPolarHBondContact O-CA 3.48Å; D359-V378 HydrophobicContact CB-CG1 4.41Å; T368-V378 HydrophobicContact CG2-CG1 3.98Å; F371-V378 HydrophobicContact CB-CG1 4.37Å; F371-V378 HydrophobicContact CB-CG2 3.72Å; A372-V378 HydrophobicContact CB-CG2 3.95Å; V378-A380 HydrophobicContact CG1-CB 4.41Å; V378-R403 PolarHBondContact N-O 3.41Å; V378-I404 HydrophobicContact CB-CG1 4.09Å; V378-I404 HydrophobicContact CB-CG2 4.33Å; V378-I404 HydrophobicContact CG2-CG1 4.37Å; V378-I404 CarbonylContact O-C 3.4Å; V378-I404 WeakPolarHBondContact O-CA 3.48Å; V378-E405 PolarHBondContact O-N 3.15Å
379I98Very high94.9Very high4 Ų432.1 Ų32.12%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-101.5103.8166.8-56.4172.7000106Y282 T356 I357 V358 D359 I381 L418Y282-I379 HydrophobicContact CE2-CG2 4.48Å; Y282-I379 WeakPolarHBondContact OH-CD1 3.28Å; T356-I379 HydrophobicContact CG2-CD1 4.08Å; T356-I379 HydrophobicContact CG2-CG1 4.35Å; I357-I379 PolarHBondContact O-N 2.83Å; V358-I379 CarbonylContact C-O 3.56Å; V358-I379 WeakPolarHBondContact CA-O 3.36Å; V358-I379 HydrophobicContact CG2-CB 4.17Å; V358-I379 HydrophobicContact CG2-CD1 4.3Å; D359-I379 PolarHBondContact N-O 3.26Å; I379-I381 HydrophobicContact CG2-CD1 4.12Å; I379-I381 HydrophobicContact CG2-CG1 4.06Å; I379-L418 HydrophobicContact CD1-CD2 4.13Å; I379-L418 HydrophobicContact CG2-CD2 4.28Å
380A98.7Very high94.8Very high0 Ų032 Ų320%015%0.148CC..EExtended strand (participates in β ladder)trans-100.1113.8-17500000109.9C362 T368 V378 I404 E405 F406 L407C362-A380 HydrophobicContact CB-CB 3.86Å; T368-A380 HydrophobicContact CG2-CB 3.6Å; V378-A380 HydrophobicContact CG1-CB 4.41Å; A380-I404 HydrophobicContact CB-CG2 3.64Å; A380-E405 PolarHBondContact N-O 3.5Å; A380-F406 HydrophobicContact CB-CD1 3.81Å; A380-F406 HydrophobicContact CB-CE1 4.01Å; A380-F406 WeakPolarHBondContact O-CA 3.45Å; A380-L407 PolarHBondContact O-N 3.29Å
381I98.7Very high94.9Very high0 Ų032 Ų320%015%0.147CC..EExtended strand (participates in β ladder)trans-115.6131.7-172.4-56.2160.4000109V358 D359 A360 F361 C362 I379 L407 F411 V414 L418V358-I381 HydrophobicContact CG1-CD1 3.76Å; D359-I381 PolarHBondContact O-N 2.86Å; A360-I381 CarbonylContact C-O 3.6Å; A360-I381 VanDerWaalsContact C-O 3.23Å; A360-I381 VanDerWaalsContact O-O 3.12Å; F361-I381 CarbonylContact C-O 3.57Å; F361-I381 WeakPolarHBondContact CA-O 3.33Å; F361-I381 PolarHBondContact N-O 3.19Å; C362-I381 PolarHBondContact N-O 2.93Å; I379-I381 HydrophobicContact CG2-CD1 4.12Å; I379-I381 HydrophobicContact CG2-CG1 4.06Å; I381-L407 WeakPolarHBondContact CA-O 3.46Å; I381-L407 HydrophobicContact CG1-CB 4.21Å; I381-L407 HydrophobicContact CG1-CD2 4.35Å; I381-F411 HydrophobicContact CD1-CD2 4.03Å; I381-F411 HydrophobicContact CG2-CB 4.35Å; I381-V414 HydrophobicContact CD1-CG2 3.77Å; I381-V414 HydrophobicContact CG1-CG2 4.49Å; I381-V414 HydrophobicContact CG2-CG2 4.23Å; I381-L418 HydrophobicContact CD1-CD1 3.54Å
382D98.6Very high94.8Very high17 Ų1735.6 Ų35.69%0.09116%0.161CC..EExtended strand (participates in β ladder)trans-148.8146.9165.7-155.9-65.8000108.9G363 D384 I388 L407 C408 A409G363-D382 WeakPolarHBondContact CA-OD2 3.37Å; G363-D382 PolarHBondContact N-OD2 3.44Å; D382-D384 VanDerWaalsContact C-N 3.3Å; D382-D384 WeakPolarHBondContact OD1-CB 3.14Å; D382-D384 PolarHBondContact OD1-N 2.92Å; D382-I388 HydrophobicContact CB-CD1 3.92Å; D382-I388 HydrophobicContact CB-CG1 4.07Å; D382-L407 PolarHBondContact N-O 2.76Å; D382-C408 CarbonylContact O-C 3.51Å; D382-C408 VanDerWaalsContact O-CA 3.23Å; D382-C408 WeakPolarHBondContact O-CA 3.34Å; D382-A409 CarbonylContact C-O 3.5Å; D382-A409 PolarHBondContact O-N 2.79Å
383I97.2Very high95Very high93 Ų9339.2 Ų39.248%0.47718%0.175SC..SBendtrans-77.5-22.6178.6-162.7168.8000111.6P385 A409 D410I383-P385 WeakPolarHBondContact O-CD 3.4Å; I383-A409 WeakPolarHBondContact CA-O 3.41Å; I383-A409 PolarHBondContact N-O 2.8Å; I383-D410 HydrophobicContact CD1-CB 4.14Å
384D96.9Very high95.3Very high47 Ų4734 Ų3425%0.25116%0.155SC..  trans-87.9115.4-177.2-174.1-13.3000111.4D382 V386 K387 I388D382-D384 VanDerWaalsContact C-N 3.3Å; D382-D384 WeakPolarHBondContact OD1-CB 3.14Å; D382-D384 PolarHBondContact OD1-N 2.92Å; D384-V386 PolarHBondContact O-N 3.18Å; D384-V386 VanDerWaalsContact OD1-CB 3.3Å; D384-V386 WeakPolarHBondContact OD1-CB 3.17Å; D384-V386 PolarHBondContact OD1-N 3.12Å; D384-K387 HydrophobicContact CB-CB 4.05Å; D384-K387 HydrophobicContact CB-CD 4.04Å; D384-K387 HydrophobicContact CB-CG 3.92Å; D384-K387 PolarHBondContact O-N 3.17Å; D384-I388 PolarHBondContact O-N 2.62Å; D384-I388 VanDerWaalsContact O-N 3.13Å
385P96.4Very high95.7Very high62 Ų6231.8 Ų31.840%0.40315%0.146SC..Hα-helixtrans-63.1-27.8178.127.4-35.7000113.1V289 I383 K389V289-P385 HydrophobicContact CG1-CB 4.34Å; V289-P385 WeakPolarHBondContact CG1-O 3.23Å; V289-P385 HydrophobicContact CG2-CB 3.79Å; I383-P385 WeakPolarHBondContact O-CD 3.4Å; P385-K389 WeakPolarHBondContact O-CB 3.44Å; P385-K389 PolarHBondContact O-N 3.48Å
386V94.8Very high96.2Very high55 Ų5536.4 Ų36.433%0.33317%0.167SC..Hα-helixtrans-67.5-43.5176.4178.30000110.1L300 D332 D384 K389 C390L300-V386 HydrophobicContact CD1-CG1 4.18Å; L300-V386 HydrophobicContact CD2-CG1 3.55Å; D332-V386 HydrophobicContact CB-CG1 4.25Å; D384-V386 PolarHBondContact O-N 3.18Å; D384-V386 VanDerWaalsContact OD1-CB 3.3Å; D384-V386 WeakPolarHBondContact OD1-CB 3.17Å; D384-V386 PolarHBondContact OD1-N 3.12Å; V386-K389 WeakPolarHBondContact O-CB 3.43Å; V386-K389 PolarHBondContact O-N 2.69Å; V386-C390 PolarHBondContact O-N 2.92Å; V386-C390 PolarHBondContact O-SG 2.96Å
387K96.9Very high96.4Very high13 Ų1331.4 Ų31.46%0.05715%0.149CC..Hα-helixtrans-63.8-43.3177.1-69.1-172.2-161.7-69.80111.5D332 E334 S335 G363 D384 K389 C390 A391D332-K387 IonicContact OD1-NZ 3.91Å; D332-K387 PolarHBondContact OD1-NZ 3.3Å; D332-K387 IonicContact OD2-NZ 3.84Å; D332-K387 PolarHBondContact OD2-NZ 2.88Å; E334-K387 WeakPolarHBondContact OE2-CE 3.48Å; E334-K387 IonicContact OE2-NZ 2.8Å; E334-K387 PolarHBondContact OE2-NZ 2.58Å; S335-K387 PolarHBondContact OG-NZ 3.39Å; G363-K387 CarbonylContact O-C 3.58Å; D384-K387 HydrophobicContact CB-CB 4.05Å; D384-K387 HydrophobicContact CB-CD 4.04Å; D384-K387 HydrophobicContact CB-CG 3.92Å; D384-K387 PolarHBondContact O-N 3.17Å; K387-K389 PolarHBondContact O-N 2.83Å; K387-C390 WeakPolarHBondContact O-CB 3.37Å; K387-C390 PolarHBondContact O-N 3.37Å; K387-A391 VanDerWaalsContact O-CB 3.32Å; K387-A391 WeakPolarHBondContact O-CB 3.47Å; K387-A391 PolarHBondContact O-N 2.87Å
388I98.1Very high96.2Very high0 Ų028.4 Ų28.40%014%0.138CC..Hα-helixtrans-60.9-42.8173.8-68.4-67.6000112.2V289 D382 D384 A391 R392 F406 C408V289-I388 HydrophobicContact CB-CG2 4.07Å; V289-I388 HydrophobicContact CG1-CG2 4.18Å; V289-I388 HydrophobicContact CG2-CB 4.28Å; V289-I388 HydrophobicContact CG2-CG2 3.96Å; D382-I388 HydrophobicContact CB-CD1 3.92Å; D382-I388 HydrophobicContact CB-CG1 4.07Å; D384-I388 PolarHBondContact O-N 2.62Å; D384-I388 VanDerWaalsContact O-N 3.13Å; I388-A391 PolarHBondContact O-N 2.97Å; I388-R392 WeakPolarHBondContact O-CB 3.32Å; I388-R392 WeakPolarHBondContact O-CG 3.49Å; I388-R392 PolarHBondContact O-N 3.34Å; I388-F406 HydrophobicContact CD1-CD1 4.38Å; I388-F406 HydrophobicContact CG2-CB 4.2Å; I388-C408 HydrophobicContact CB-CB 4.42Å; I388-C408 HydrophobicContact CG1-CB 3.91Å; I388-C408 HydrophobicContact CG2-CB 4.45Å
389K96.3Very high95.8Very high15 Ų1531 Ų317%0.06517%0.165CC..Hα-helixtrans-59.4-47.9175.7-176.7-176.4-75.4-162.90111.1V289 E290 D297 L300 P385 V386 K387 R393V289-K389 HydrophobicContact CG1-CB 3.98Å; E290-K389 WeakPolarHBondContact O-CE 3.14Å; E290-K389 IonicContact OE1-NZ 2.96Å; E290-K389 PolarHBondContact OE1-NZ 3.18Å; D297-K389 IonicContact OD1-NZ 2.92Å; D297-K389 PolarHBondContact OD1-NZ 3.5Å; D297-K389 WeakPolarHBondContact OD2-CD 3.41Å; D297-K389 IonicContact OD2-NZ 2.85Å; D297-K389 PolarHBondContact OD2-NZ 3.45Å; L300-K389 HydrophobicContact CD1-CD 4.1Å; P385-K389 WeakPolarHBondContact O-CB 3.44Å; P385-K389 PolarHBondContact O-N 3.48Å; V386-K389 WeakPolarHBondContact O-CB 3.43Å; V386-K389 PolarHBondContact O-N 2.69Å; K387-K389 PolarHBondContact O-N 2.83Å; K389-R393 PolarHBondContact O-N 2.95Å
390C96.3Very high95.4Very high0 Ų031.3 Ų31.30%017%0.167CC..Hα-helixtrans-60.4-47.8174.6-68.40000112.1L330 V364 V386 K387 R392 R393 N394L330-C390 HydrophobicContact CB-CB 3.91Å; V364-C390 HydrophobicContact CB-CB 3.95Å; V364-C390 HydrophobicContact CG1-CB 3.61Å; V386-C390 PolarHBondContact O-N 2.92Å; V386-C390 PolarHBondContact O-SG 2.96Å; K387-C390 WeakPolarHBondContact O-CB 3.37Å; K387-C390 PolarHBondContact O-N 3.37Å; C390-R392 PolarHBondContact O-N 2.87Å; C390-R393 PolarHBondContact O-N 3.28Å; C390-N394 WeakPolarHBondContact O-CB 3.47Å; C390-N394 PolarHBondContact O-N 2.95Å; C390-N394 PolarHBondContact O-ND2 2.95Å; C390-N394 PolarHBondContact O-OD1 2.87Å
391A98.4Very high94.9Very high0 Ų033.6 Ų33.60%018%0.183CC..Hα-helixtrans-62.6-40.9-176.800000112.7G363 V364 K387 I388 N394 A395 F406G363-A391 WeakPolarHBondContact O-CB 3.4Å; V364-A391 WeakPolarHBondContact O-CA 3.35Å; K387-A391 VanDerWaalsContact O-CB 3.32Å; K387-A391 WeakPolarHBondContact O-CB 3.47Å; K387-A391 PolarHBondContact O-N 2.87Å; I388-A391 PolarHBondContact O-N 2.97Å; A391-N394 PolarHBondContact O-N 3.28Å; A391-A395 WeakPolarHBondContact O-CB 3.48Å; A391-A395 PolarHBondContact O-N 3.07Å; A391-F406 HydrophobicContact CB-CD1 4.15Å; A391-F406 HydrophobicContact CB-CE1 3.53Å; A391-F406 HydrophobicContact CB-CZ 4.33Å
392R97.5Very high94.4Very high77 Ų7739.6 Ų39.629%0.29122%0.215SC..Hα-helixtrans-57.3-52.2172.8-80.2176.3168.7176.1-0.9111.5V289 I388 C390 N394 A395 E396 F406V289-R392 PolarHBondContact O-NH1 2.81Å; I388-R392 WeakPolarHBondContact O-CB 3.32Å; I388-R392 WeakPolarHBondContact O-CG 3.49Å; I388-R392 PolarHBondContact O-N 3.34Å; C390-R392 PolarHBondContact O-N 2.87Å; R392-N394 PolarHBondContact O-N 3.46Å; R392-A395 PolarHBondContact O-N 3.16Å; R392-E396 WeakPolarHBondContact O-CG 3.35Å; R392-E396 PolarHBondContact O-N 2.87Å; R392-F406 HydrophobicContact CB-CD2 4.45Å; R392-F406 HydrophobicContact CB-CE2 4.33Å; R392-F406 HydrophobicContact CG-CB 4.05Å; R392-F406 HydrophobicContact CG-CD1 4.11Å; R392-F406 HydrophobicContact CG-CD2 3.36Å; R392-F406 HydrophobicContact CG-CE1 4.41Å; R392-F406 HydrophobicContact CG-CE2 3.69Å; R392-F406 HydrophobicContact CG-CG 3.57Å; R392-F406 HydrophobicContact CG-CZ 4.19Å; R392-F406 PolarHBondContact NH2-O 3.45Å
393R95.3Very high93.8Very high76 Ų7644.1 Ų44.129%0.28723%0.231SC..Hα-helixtrans-62-43.3179.4178.858.4-1731534.4112.1Y292 L330 K389 C390 A395 E396 I397Y292-R393 HydrophobicContact CD1-CG 4.27Å; L330-R393 HydrophobicContact CD1-CB 3.74Å; L330-R393 HydrophobicContact CD1-CG 3.71Å; L330-R393 HydrophobicContact CG-CB 4.27Å; L330-R393 HydrophobicContact CG-CG 3.91Å; K389-R393 PolarHBondContact O-N 2.95Å; C390-R393 PolarHBondContact O-N 3.28Å; R393-A395 VanDerWaalsContact C-N 3.33Å; R393-A395 PolarHBondContact O-N 3.04Å; R393-E396 IonicContact NH1-OE2 3.85Å; R393-E396 PolarHBondContact NH1-OE2 2.61Å; R393-E396 VanDerWaalsContact NH1-OE2 3.15Å; R393-E396 WeakPolarHBondContact O-CB 3.23Å; R393-E396 PolarHBondContact O-N 3.11Å; R393-I397 HydrophobicContact CG-CD1 4.3Å; R393-I397 WeakPolarHBondContact O-CG1 3.34Å; R393-I397 PolarHBondContact O-N 3.36Å; R393-I397 VanDerWaalsContact O-N 3.09Å
394N95.9Very high93.6Very high0 Ų040.4 Ų40.40%021%0.212CC..Hα-helixtrans-63.6-41.2178.4-65-16.9000110.8V329 L330 V364 I369 C390 A391 R392 E396 I397 Y398V329-N394 VanDerWaalsContact CA-OD1 3.26Å; V329-N394 WeakPolarHBondContact CA-OD1 3.37Å; V329-N394 WeakPolarHBondContact CG1-OD1 3.35Å; L330-N394 PolarHBondContact N-OD1 3.22Å; L330-N394 PolarHBondContact O-ND2 2.85Å; V364-N394 PolarHBondContact O-ND2 2.83Å; I369-N394 HydrophobicContact CD1-CB 3.57Å; C390-N394 WeakPolarHBondContact O-CB 3.47Å; C390-N394 PolarHBondContact O-N 2.95Å; C390-N394 PolarHBondContact O-ND2 2.95Å; C390-N394 PolarHBondContact O-OD1 2.87Å; A391-N394 PolarHBondContact O-N 3.28Å; R392-N394 PolarHBondContact O-N 3.46Å; N394-E396 PolarHBondContact O-N 2.79Å; N394-I397 WeakPolarHBondContact O-CB 3.48Å; N394-I397 PolarHBondContact O-N 3.18Å; N394-Y398 VanDerWaalsContact O-CD2 3.28Å; N394-Y398 WeakPolarHBondContact O-CD2 3.42Å; N394-Y398 PolarHBondContact O-N 2.86Å
395A96.3Very high93.5Very high0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-65.3-36.4176.100000113.8I369 A391 R392 R393 Y398 G399 V400 S401 I404 F406I369-A395 HydrophobicContact CG1-CB 4.17Å; A391-A395 WeakPolarHBondContact O-CB 3.48Å; A391-A395 PolarHBondContact O-N 3.07Å; R392-A395 PolarHBondContact O-N 3.16Å; R393-A395 VanDerWaalsContact C-N 3.33Å; R393-A395 PolarHBondContact O-N 3.04Å; A395-Y398 CarbonylContact O-C 3.52Å; A395-Y398 PolarHBondContact O-N 3.11Å; A395-G399 PolarHBondContact O-N 3.5Å; A395-V400 HydrophobicContact CB-CG2 4.32Å; A395-V400 PolarHBondContact O-N 3.24Å; A395-S401 PolarHBondContact O-N 3.2Å; A395-I404 HydrophobicContact CB-CD1 3.58Å; A395-F406 HydrophobicContact CB-CE2 4.2Å; A395-F406 HydrophobicContact CB-CZ 3.77Å
396E94.4Very high93.6Very high99 Ų9938 Ų3846%0.46319%0.194SC..Hα-helixtrans-61.4-45.4172-70.1165.8-171.600111.5R392 R393 N394 Y398 G399R392-E396 WeakPolarHBondContact O-CG 3.35Å; R392-E396 PolarHBondContact O-N 2.87Å; R393-E396 IonicContact NH1-OE2 3.85Å; R393-E396 PolarHBondContact NH1-OE2 2.61Å; R393-E396 VanDerWaalsContact NH1-OE2 3.15Å; R393-E396 WeakPolarHBondContact O-CB 3.23Å; R393-E396 PolarHBondContact O-N 3.11Å; N394-E396 PolarHBondContact O-N 2.79Å; E396-Y398 VanDerWaalsContact C-N 3.28Å; E396-Y398 PolarHBondContact O-N 3.3Å; E396-G399 PolarHBondContact O-N 3.08Å
397I88.9Confident93.7Very high14 Ų1435.8 Ų35.87%0.07218%0.18CC..Hα-helixtrans-57.3-46.5176.7-70.1164.7000109.5R324 E327 G328 V329 R393 N394 G399R324-I397 HydrophobicContact CB-CG2 4.15Å; R324-I397 PolarHBondContact NH1-O 2.93Å; R324-I397 PolarHBondContact NH2-O 3.43Å; E327-I397 HydrophobicContact CB-CG2 3.78Å; E327-I397 WeakPolarHBondContact O-CD1 3.41Å; G328-I397 WeakPolarHBondContact O-CD1 3.49Å; V329-I397 HydrophobicContact CG2-CD1 4.25Å; R393-I397 HydrophobicContact CG-CD1 4.3Å; R393-I397 WeakPolarHBondContact O-CG1 3.34Å; R393-I397 PolarHBondContact O-N 3.36Å; R393-I397 VanDerWaalsContact O-N 3.09Å; N394-I397 WeakPolarHBondContact O-CB 3.48Å; N394-I397 PolarHBondContact O-N 3.18Å; I397-G399 PolarHBondContact O-N 2.63Å
398Y89.9Confident93.7Very high24 Ų2435.4 Ų35.49%0.09418%0.178CC..Hα-helixtrans-73.1-7.8178.4-80.4-103.3000114.6F322 A323 R324 V329 E342 I369 N394 A395 E396F322-Y398 HydrophobicContact CD1-CE2 4.01Å; A323-Y398 PolarHBondContact N-OH 2.95Å; R324-Y398 HydrophobicContact CB-CE1 4.47Å; R324-Y398 HydrophobicContact CB-CE2 3.9Å; R324-Y398 HydrophobicContact CG-CE1 4.04Å; R324-Y398 HydrophobicContact CG-CE2 4.32Å; R324-Y398 PolarHBondContact N-OH 3.5Å; V329-Y398 HydrophobicContact CG2-CE2 4.35Å; E342-Y398 PolarHBondContact OE2-OH 3.39Å; I369-Y398 HydrophobicContact CD1-CD2 4.01Å; I369-Y398 HydrophobicContact CD1-CE2 4.41Å; I369-Y398 HydrophobicContact CD1-CG 4.46Å; I369-Y398 HydrophobicContact CG2-CD1 3.55Å; I369-Y398 HydrophobicContact CG2-CD2 4.02Å; I369-Y398 HydrophobicContact CG2-CE1 4.24Å; I369-Y398 HydrophobicContact CG2-CG 3.42Å; I369-Y398 VanDerWaalsContact CG2-CG 3.42Å; N394-Y398 VanDerWaalsContact O-CD2 3.28Å; N394-Y398 WeakPolarHBondContact O-CD2 3.42Å; N394-Y398 PolarHBondContact O-N 2.86Å; A395-Y398 CarbonylContact O-C 3.52Å; A395-Y398 PolarHBondContact O-N 3.11Å; E396-Y398 VanDerWaalsContact C-N 3.28Å; E396-Y398 PolarHBondContact O-N 3.3Å
399G88Confident93.7Very high54 Ų5435.7 Ų35.756%0.55718%0.181SC*.THydrogen-bonded Turntrans70.333.3178.100000113.9A395 E396 I397A395-G399 PolarHBondContact O-N 3.5Å; E396-G399 PolarHBondContact O-N 3.08Å; I397-G399 PolarHBondContact O-N 2.63Å
400V89.4Confident93.7Very high12 Ų1236.6 Ų36.67%0.07319%0.186CC..  trans-129.77.9-176.1-62.40000113.8I369 A372 R373 A395 D402 R403 I404I369-V400 HydrophobicContact CB-CG2 4.48Å; I369-V400 HydrophobicContact CG1-CG2 4.47Å; I369-V400 HydrophobicContact CG2-CG2 4.12Å; A372-V400 HydrophobicContact CB-CB 3.75Å; A372-V400 HydrophobicContact CB-CG1 4.5Å; A372-V400 HydrophobicContact CB-CG2 3.9Å; R373-V400 HydrophobicContact CG-CG1 3.95Å; A395-V400 HydrophobicContact CB-CG2 4.32Å; A395-V400 PolarHBondContact O-N 3.24Å; V400-D402 PolarHBondContact O-N 2.84Å; V400-R403 PolarHBondContact O-N 2.78Å; V400-I404 HydrophobicContact CG2-CD1 4.02Å; V400-I404 WeakPolarHBondContact O-CD1 3.21Å
401S88.2Confident93.7Very high47 Ų4736.8 Ų36.833%0.32919%0.187SC..G310 helixtrans-63.3-27.4-175.951.70000113.7A395 R403 I404A395-S401 PolarHBondContact O-N 3.2Å; S401-R403 PolarHBondContact O-N 2.81Å; S401-I404 PolarHBondContact O-N 3.24Å
402D88Confident93.5Very high126 Ų12637.8 Ų37.867%0.67419%0.192SC*.G310 helixtrans-63.7-19.4177.162.7-57.5000113.7V400V400-D402 PolarHBondContact O-N 2.84Å
403R86.9Confident93.3Very high113 Ų11337.8 Ų37.843%0.42620%0.2SC..G310 helixtrans-98.9-3.4179.2-61.5179-175.2-179.2-0.6113.8A372 R377 V378 V400 S401A372-R403 HydrophobicContact CB-CB 4.21Å; A372-R403 WeakPolarHBondContact O-CD 3.21Å; A372-R403 PolarHBondContact O-NH1 2.52Å; R377-R403 WeakPolarHBondContact CA-O 3.16Å; V378-R403 PolarHBondContact N-O 3.41Å; V400-R403 PolarHBondContact O-N 2.78Å; S401-R403 PolarHBondContact O-N 2.81Å
404I92.6Very high93.3Very high14 Ų1434.2 Ų34.27%0.07219%0.186CC..EExtended strand (participates in β ladder)trans-115.1119-171.8-55.8158.4000109.8T368 A372 V378 A380 A395 V400 S401 F406T368-I404 HydrophobicContact CG2-CB 4.49Å; T368-I404 HydrophobicContact CG2-CD1 3.76Å; T368-I404 HydrophobicContact CG2-CG1 4.02Å; T368-I404 HydrophobicContact CG2-CG2 3.62Å; A372-I404 HydrophobicContact CB-CD1 3.71Å; A372-I404 HydrophobicContact CB-CG1 3.59Å; V378-I404 HydrophobicContact CB-CG1 4.09Å; V378-I404 HydrophobicContact CB-CG2 4.33Å; V378-I404 HydrophobicContact CG2-CG1 4.37Å; V378-I404 CarbonylContact O-C 3.4Å; V378-I404 WeakPolarHBondContact O-CA 3.48Å; A380-I404 HydrophobicContact CB-CG2 3.64Å; A395-I404 HydrophobicContact CB-CD1 3.58Å; V400-I404 HydrophobicContact CG2-CD1 4.02Å; V400-I404 WeakPolarHBondContact O-CD1 3.21Å; S401-I404 PolarHBondContact O-N 3.24Å; I404-F406 HydrophobicContact CB-CD2 4.23Å; I404-F406 HydrophobicContact CB-CE2 3.7Å; I404-F406 HydrophobicContact CB-CZ 3.93Å; I404-F406 HydrophobicContact CD1-CE2 4.37Å; I404-F406 HydrophobicContact CD1-CZ 4Å; I404-F406 HydrophobicContact CG2-CD1 3.96Å; I404-F406 HydrophobicContact CG2-CD2 3.76Å; I404-F406 HydrophobicContact CG2-CE1 3.63Å; I404-F406 HydrophobicContact CG2-CE2 3.46Å; I404-F406 VanDerWaalsContact CG2-CE2 3.46Å; I404-F406 HydrophobicContact CG2-CG 4.03Å; I404-F406 HydrophobicContact CG2-CZ 3.4Å; I404-F406 VanDerWaalsContact CG2-CZ 3.4Å
405E95.4Very high93.2Very high39 Ų3934.2 Ų34.218%0.18219%0.187CC..EExtended strand (participates in β ladder)trans-88.7109.5164.4-175.2-177.8171.400109.4Y282 T283 R377 V378 A380Y282-E405 WeakPolarHBondContact CE2-OE1 3.13Å; Y282-E405 PolarHBondContact OH-OE2 2.83Å; T283-E405 WeakPolarHBondContact CG2-OE1 3.22Å; R377-E405 IonicContact CZ-OE2 3.23Å; R377-E405 VanDerWaalsContact CZ-OE2 3.27Å; R377-E405 IonicContact NH1-OE2 2.66Å; R377-E405 IonicContact NH2-OE2 3.73Å; R377-E405 PolarHBondContact NH2-OE2 2.87Å; V378-E405 PolarHBondContact O-N 3.15Å; A380-E405 PolarHBondContact N-O 3.5Å
406F97.6Very high92.9Very high21 Ų2138.2 Ų38.29%0.09221%0.212CC..EExtended strand (participates in β ladder)trans-88.6122.7176-67.7-80.9000111.4T368 A380 I388 A391 R392 A395 I404T368-F406 HydrophobicContact CG2-CE1 4.21Å; T368-F406 HydrophobicContact CG2-CZ 4.5Å; A380-F406 HydrophobicContact CB-CD1 3.81Å; A380-F406 HydrophobicContact CB-CE1 4.01Å; A380-F406 WeakPolarHBondContact O-CA 3.45Å; I388-F406 HydrophobicContact CD1-CD1 4.38Å; I388-F406 HydrophobicContact CG2-CB 4.2Å; A391-F406 HydrophobicContact CB-CD1 4.15Å; A391-F406 HydrophobicContact CB-CE1 3.53Å; A391-F406 HydrophobicContact CB-CZ 4.33Å; R392-F406 HydrophobicContact CB-CD2 4.45Å; R392-F406 HydrophobicContact CB-CE2 4.33Å; R392-F406 HydrophobicContact CG-CB 4.05Å; R392-F406 HydrophobicContact CG-CD1 4.11Å; R392-F406 HydrophobicContact CG-CD2 3.36Å; R392-F406 HydrophobicContact CG-CE1 4.41Å; R392-F406 HydrophobicContact CG-CE2 3.69Å; R392-F406 HydrophobicContact CG-CG 3.57Å; R392-F406 HydrophobicContact CG-CZ 4.19Å; R392-F406 PolarHBondContact NH2-O 3.45Å; A395-F406 HydrophobicContact CB-CE2 4.2Å; A395-F406 HydrophobicContact CB-CZ 3.77Å; I404-F406 HydrophobicContact CB-CD2 4.23Å; I404-F406 HydrophobicContact CB-CE2 3.7Å; I404-F406 HydrophobicContact CB-CZ 3.93Å; I404-F406 HydrophobicContact CD1-CE2 4.37Å; I404-F406 HydrophobicContact CD1-CZ 4Å; I404-F406 HydrophobicContact CG2-CD1 3.96Å; I404-F406 HydrophobicContact CG2-CD2 3.76Å; I404-F406 HydrophobicContact CG2-CE1 3.63Å; I404-F406 HydrophobicContact CG2-CE2 3.46Å; I404-F406 VanDerWaalsContact CG2-CE2 3.46Å; I404-F406 HydrophobicContact CG2-CG 4.03Å; I404-F406 HydrophobicContact CG2-CZ 3.4Å; I404-F406 VanDerWaalsContact CG2-CZ 3.4Å
407L97.1Very high92.8Very high8 Ų836.7 Ų36.74%0.04221%0.205CC..EExtended strand (participates in β ladder)trans-121.8109.3179.9-168.269.9000110.3Y282 A380 I381 D382 A409 V414Y282-L407 HydrophobicContact CD2-CD2 3.95Å; Y282-L407 HydrophobicContact CE2-CD2 4.46Å; A380-L407 PolarHBondContact O-N 3.29Å; I381-L407 WeakPolarHBondContact CA-O 3.46Å; I381-L407 HydrophobicContact CG1-CB 4.21Å; I381-L407 HydrophobicContact CG1-CD2 4.35Å; D382-L407 PolarHBondContact N-O 2.76Å; L407-A409 HydrophobicContact CD2-CB 4.06Å; L407-A409 HydrophobicContact CG-CB 3.85Å; L407-A409 PolarHBondContact O-N 3.02Å; L407-A409 VanDerWaalsContact O-N 3.13Å; L407-V414 HydrophobicContact CD2-CB 4.1Å; L407-V414 HydrophobicContact CD2-CG1 3.76Å; L407-V414 HydrophobicContact CD2-CG2 4.25Å
408C98.1Very high93.1Very high4 Ų436.7 Ų36.73%0.02721%0.205CC..EExtended strand (participates in β ladder)trans-8092.2171.4-174.40000109.7G286 R287 V289 D382 I388G286-C408 CarbonylContact C-O 3.48Å; G286-C408 WeakPolarHBondContact CA-O 3.17Å; R287-C408 PolarHBondContact N-O 2.84Å; V289-C408 HydrophobicContact CG2-CB 3.35Å; D382-C408 CarbonylContact O-C 3.51Å; D382-C408 VanDerWaalsContact O-CA 3.23Å; D382-C408 WeakPolarHBondContact O-CA 3.34Å; I388-C408 HydrophobicContact CB-CB 4.42Å; I388-C408 HydrophobicContact CG1-CB 3.91Å; I388-C408 HydrophobicContact CG2-CB 4.45Å
409A97Very high93.1Very high6 Ų639 Ų395%0.0522%0.219CC..SBendtrans-153.3164.1-172.700000111.8D382 I383 L407 F411 V414D382-A409 CarbonylContact C-O 3.5Å; D382-A409 PolarHBondContact O-N 2.79Å; I383-A409 WeakPolarHBondContact CA-O 3.41Å; I383-A409 PolarHBondContact N-O 2.8Å; L407-A409 HydrophobicContact CD2-CB 4.06Å; L407-A409 HydrophobicContact CG-CB 3.85Å; L407-A409 PolarHBondContact O-N 3.02Å; L407-A409 VanDerWaalsContact O-N 3.13Å; A409-F411 PolarHBondContact O-N 3.13Å; A409-V414 HydrophobicContact CB-CG1 3.53Å
410D95.6Very high93.5Very high34 Ų3436.8 Ų36.818%0.18220%0.196CC..  trans-74.7119.2165.1-171.6-27.3000109.5I383 F412 V413 V414 Q449I383-D410 HydrophobicContact CD1-CB 4.14Å; D410-F412 PolarHBondContact O-N 3.07Å; D410-F412 WeakPolarHBondContact OD1-CB 3.3Å; D410-F412 WeakPolarHBondContact OD1-CD2 3.46Å; D410-F412 PolarHBondContact OD1-N 3.14Å; D410-V413 HydrophobicContact CB-CB 4.26Å; D410-V413 HydrophobicContact CB-CG2 3.91Å; D410-V413 PolarHBondContact O-N 2.86Å; D410-V414 PolarHBondContact O-N 3.29Å; D410-Q449 PolarHBondContact OD2-NE2 2.89Å; D410-Q449 PolarHBondContact OD2-OE1 3.1Å
411F97.3Very high93.8Very high5 Ų539.4 Ų39.42%0.02221%0.209CC..Hα-helixtrans-51-39.7176.4175.5-115.2000112.7V358 A360 F361 I381 A409 V413 V414 A415 V423 L425 I453 V456 A457 I460V358-F411 HydrophobicContact CG1-CE2 4.24Å; A360-F411 HydrophobicContact CB-CD1 4.12Å; A360-F411 HydrophobicContact CB-CD2 3.51Å; A360-F411 HydrophobicContact CB-CE1 4.11Å; A360-F411 HydrophobicContact CB-CE2 3.52Å; A360-F411 HydrophobicContact CB-CG 3.82Å; A360-F411 HydrophobicContact CB-CZ 3.83Å; F361-F411 HydrophobicContact CE2-CD1 4.32Å; F361-F411 HydrophobicContact CZ-CD1 4.1Å; I381-F411 HydrophobicContact CD1-CD2 4.03Å; I381-F411 HydrophobicContact CG2-CB 4.35Å; A409-F411 PolarHBondContact O-N 3.13Å; F411-V413 VanDerWaalsContact C-N 3.25Å; F411-V413 PolarHBondContact O-N 3.26Å; F411-V414 WeakPolarHBondContact O-CG2 3.41Å; F411-V414 PolarHBondContact O-N 3.17Å; F411-A415 HydrophobicContact CD2-CB 4.24Å; F411-A415 HydrophobicContact CE1-CB 4.41Å; F411-A415 HydrophobicContact CE2-CB 3.83Å; F411-A415 HydrophobicContact CZ-CB 3.92Å; F411-A415 WeakPolarHBondContact O-CB 3.28Å; F411-A415 PolarHBondContact O-N 2.97Å; F411-V423 HydrophobicContact CZ-CG1 4.44Å; F411-L425 HydrophobicContact CE1-CD2 4.42Å; F411-L425 HydrophobicContact CZ-CD2 4.45Å; F411-I453 HydrophobicContact CE1-CG2 4.33Å; F411-V456 HydrophobicContact CD1-CG1 4.28Å; F411-V456 HydrophobicContact CE1-CB 4.37Å; F411-V456 HydrophobicContact CE1-CG1 3.78Å; F411-V456 HydrophobicContact CZ-CG1 4.24Å; F411-A457 HydrophobicContact CZ-CB 4.23Å; F411-I460 HydrophobicContact CE2-CD1 3.9Å; F411-I460 HydrophobicContact CZ-CD1 4.11Å
412F94.3Very high94.3Very high21 Ų2137.5 Ų37.59%0.09220%0.196CC..Hα-helixtrans-65.4-29.3-178.8-62.1-71000113.1D410 M448 Q449 H451 I453 V456D410-F412 PolarHBondContact O-N 3.07Å; D410-F412 WeakPolarHBondContact OD1-CB 3.3Å; D410-F412 WeakPolarHBondContact OD1-CD2 3.46Å; D410-F412 PolarHBondContact OD1-N 3.14Å; F412-M448 HydrophobicContact CE2-CB 4.24Å; F412-M448 HydrophobicContact CE2-CG 3.84Å; F412-M448 HydrophobicContact CE2-SD 3.77Å; F412-M448 HydrophobicContact CZ-CB 3.89Å; F412-M448 HydrophobicContact CZ-CG 4.01Å; F412-M448 HydrophobicContact CZ-SD 4.07Å; F412-Q449 HydrophobicContact CD2-CB 4.47Å; F412-Q449 HydrophobicContact CE2-CB 4.37Å; F412-Q449 HydrophobicContact CE2-CG 4.33Å; F412-H451 HydrophobicContact CD1-CB 3.59Å; F412-H451 HydrophobicContact CE1-CB 3.5Å; F412-H451 HydrophobicContact CG-CB 4.38Å; F412-H451 HydrophobicContact CZ-CB 4.25Å; F412-I453 HydrophobicContact CE1-CG1 4.01Å; F412-I453 HydrophobicContact CZ-CG1 3.63Å; F412-V456 HydrophobicContact CD1-CB 4.2Å; F412-V456 HydrophobicContact CD1-CG1 4.07Å; F412-V456 HydrophobicContact CD1-CG2 3.78Å; F412-V456 HydrophobicContact CE1-CB 4.46Å; F412-V456 HydrophobicContact CE1-CG2 4.15Å
413V93.7Very high94.8Very high77 Ų7731.5 Ų31.547%0.46716%0.163SC..Hα-helixtrans-80-38.3178.1176.20000110.9L285 D410 F411 H417L285-V413 HydrophobicContact CD1-CG1 4.46Å; L285-V413 HydrophobicContact CD2-CG1 4.26Å; D410-V413 HydrophobicContact CB-CB 4.26Å; D410-V413 HydrophobicContact CB-CG2 3.91Å; D410-V413 PolarHBondContact O-N 2.86Å; F411-V413 VanDerWaalsContact C-N 3.25Å; F411-V413 PolarHBondContact O-N 3.26Å; V413-H417 PolarHBondContact O-CD2 3.04Å
414V94.5Very high95.4Very high0 Ų026.1 Ų26.10%014%0.143CC..Hα-helixtrans-87.8-30.7-173.4-580000113.4L285 I381 L407 A409 D410 F411 P416 H417 L418L285-V414 HydrophobicContact CB-CG1 3.71Å; L285-V414 HydrophobicContact CD1-CB 4.43Å; L285-V414 HydrophobicContact CD1-CG1 4Å; I381-V414 HydrophobicContact CD1-CG2 3.77Å; I381-V414 HydrophobicContact CG1-CG2 4.49Å; I381-V414 HydrophobicContact CG2-CG2 4.23Å; L407-V414 HydrophobicContact CD2-CB 4.1Å; L407-V414 HydrophobicContact CD2-CG1 3.76Å; L407-V414 HydrophobicContact CD2-CG2 4.25Å; A409-V414 HydrophobicContact CB-CG1 3.53Å; D410-V414 PolarHBondContact O-N 3.29Å; F411-V414 WeakPolarHBondContact O-CG2 3.41Å; F411-V414 PolarHBondContact O-N 3.17Å; V414-P416 VanDerWaalsContact C-CD 3.4Å; V414-P416 VanDerWaalsContact C-N 3.35Å; V414-H417 WeakPolarHBondContact O-CB 3.15Å; V414-H417 PolarHBondContact O-N 3.04Å; V414-L418 HydrophobicContact CG2-CD1 4.21Å
415A94.3Very high95.7Very high1 Ų125.4 Ų25.41%0.00814%0.14CC..G310 helixtrans-51.2-41-174.800000115F411 H417 L418 V456 I460F411-A415 HydrophobicContact CD2-CB 4.24Å; F411-A415 HydrophobicContact CE1-CB 4.41Å; F411-A415 HydrophobicContact CE2-CB 3.83Å; F411-A415 HydrophobicContact CZ-CB 3.92Å; F411-A415 WeakPolarHBondContact O-CB 3.28Å; F411-A415 PolarHBondContact O-N 2.97Å; A415-H417 PolarHBondContact O-N 3.38Å; A415-L418 PolarHBondContact O-N 3.06Å; A415-L418 VanDerWaalsContact O-N 3.17Å; A415-V456 HydrophobicContact CB-CG1 3.37Å; A415-I460 HydrophobicContact CB-CD1 3.91Å; A415-I460 HydrophobicContact CB-CG1 4.33Å; A415-I460 WeakPolarHBondContact O-CG1 3.29Å
416P90.7Very high95.8Very high83 Ų8324.4 Ų24.454%0.53914%0.137SC..G310 helixtrans-61.8-14.5177-2435.8000115V414V414-P416 VanDerWaalsContact C-CD 3.4Å; V414-P416 VanDerWaalsContact C-N 3.35Å
417H92.4Very high95.7Very high68 Ų6823.5 Ų23.532%0.31513%0.133SC..G310 helixtrans-105.3-1.8-177.5-54.7-87.4000113.3L285 V413 V414 A415L285-H417 VanDerWaalsContact CD1-CD2 3.47Å; L285-H417 WeakPolarHBondContact CD1-CD2 3.33Å; V413-H417 PolarHBondContact O-CD2 3.04Å; V414-H417 WeakPolarHBondContact O-CB 3.15Å; V414-H417 PolarHBondContact O-N 3.04Å; A415-H417 PolarHBondContact O-N 3.38Å
418L94.1Very high95.5Very high13 Ų1326.3 Ų26.37%0.06815%0.152CC..  trans-96.3150-177.1-60.3176.4000111.6Y282 V358 I379 I381 V414 A415 I460Y282-L418 HydrophobicContact CD1-CD2 3.71Å; Y282-L418 HydrophobicContact CD2-CD2 3.79Å; Y282-L418 HydrophobicContact CE1-CD2 3.76Å; Y282-L418 HydrophobicContact CE2-CD2 3.85Å; Y282-L418 HydrophobicContact CG-CD2 3.73Å; V358-L418 HydrophobicContact CG1-CD1 4.17Å; V358-L418 HydrophobicContact CG2-CD1 4.11Å; I379-L418 HydrophobicContact CD1-CD2 4.13Å; I379-L418 HydrophobicContact CG2-CD2 4.28Å; I381-L418 HydrophobicContact CD1-CD1 3.54Å; V414-L418 HydrophobicContact CG2-CD1 4.21Å; A415-L418 PolarHBondContact O-N 3.06Å; A415-L418 VanDerWaalsContact O-N 3.17Å; L418-I460 HydrophobicContact CB-CD1 3.96Å; L418-I460 HydrophobicContact CB-CG1 4.1Å; L418-I460 HydrophobicContact CB-CG2 4.28Å; L418-I460 HydrophobicContact CD1-CD1 3.96Å
419D90Very high95.3Very high73 Ų7328.2 Ų28.239%0.3916%0.159SC..  trans-137.9121171.2-179.718.2000108.5R276R276-D419 IonicContact CZ-OD2 2.85Å; R276-D419 IonicContact NE-OD2 2.71Å; R276-D419 PolarHBondContact NE-OD2 3.28Å; R276-D419 IonicContact NH1-OD2 3.79Å; R276-D419 PolarHBondContact NH1-OD2 3.27Å; R276-D419 IonicContact NH2-OD1 2.63Å; R276-D419 IonicContact NH2-OD2 3.41Å; R276-D419 PolarHBondContact NH2-OD2 3.15Å
420A96.4Very high94.8Very high7 Ų731.1 Ų31.16%0.05819%0.189CC..  trans-153.3157.1-17300000111.5T356 V358 I460 T461T356-A420 HydrophobicContact CG2-CB 3.98Å; V358-A420 HydrophobicContact CG2-CB 3.6Å; A420-I460 HydrophobicContact CB-CG2 3.91Å; A420-T461 WeakPolarHBondContact O-CB 3.46Å
421D96Very high94.4Very high68 Ų6830.3 Ų30.336%0.36419%0.188SC..SBendtrans-74.3-37.8179.1-57.4-64.5000111.8C354 D355 T356 T461 N463C354-D421 HydrophobicContact CB-CB 3.73Å; D355-D421 WeakPolarHBondContact CA-OD2 3.38Å; D355-D421 WeakPolarHBondContact CB-OD2 3.45Å; D355-D421 PolarHBondContact N-OD2 2.92Å; T356-D421 PolarHBondContact N-OD2 2.88Å; T356-D421 PolarHBondContact O-N 3.29Å; D421-T461 PolarHBondContact O-OG1 2.67Å; D421-N463 WeakPolarHBondContact O-CB 3.39Å; D421-N463 PolarHBondContact O-ND2 3.39Å
422V98.3Very high93.8Very high6 Ų632 Ų324%0.03620%0.2CC..EExtended strand (participates in β ladder)trans-136.4143-175.2-1800000109.9C352 C354 I357 V358 N463 V465 I508C352-V422 HydrophobicContact CB-CG1 4.36Å; C354-V422 HydrophobicContact CB-CG2 4.16Å; I357-V422 WeakPolarHBondContact CA-O 3.39Å; I357-V422 HydrophobicContact CB-CB 4.5Å; I357-V422 HydrophobicContact CD1-CB 4.15Å; I357-V422 HydrophobicContact CD1-CG1 3.87Å; I357-V422 HydrophobicContact CG1-CB 4.11Å; I357-V422 HydrophobicContact CG1-CG1 4.2Å; V358-V422 PolarHBondContact N-O 3.43Å; V422-N463 WeakPolarHBondContact CA-O 3.43Å; V422-N463 HydrophobicContact CG2-CB 4.18Å; V422-V465 HydrophobicContact CG1-CG2 4.11Å; V422-I508 HydrophobicContact CG1-CD1 4.13Å; V422-I508 HydrophobicContact CG2-CD1 4.05Å
423V98.8Very high93.5Very high0 Ų036.2 Ų36.20%022%0.224CC..EExtended strand (participates in β ladder)trans-117.2124.1167175.50000108.9V358 A360 F411 L425 A457 I460 T461 N463 I464 V465V358-V423 HydrophobicContact CB-CG2 4.06Å; V358-V423 WeakPolarHBondContact O-CA 3.17Å; A360-V423 HydrophobicContact CB-CG1 4.46Å; F411-V423 HydrophobicContact CZ-CG1 4.44Å; V423-L425 HydrophobicContact CG1-CD2 3.56Å; V423-L425 HydrophobicContact CG1-CG 4.12Å; V423-A457 HydrophobicContact CB-CB 4.35Å; V423-A457 HydrophobicContact CG1-CB 3.83Å; V423-I460 HydrophobicContact CG2-CB 3.86Å; V423-I460 HydrophobicContact CG2-CD1 3.87Å; V423-I460 HydrophobicContact CG2-CG1 4.45Å; V423-I460 HydrophobicContact CG2-CG2 3.85Å; V423-T461 HydrophobicContact CB-CG2 4.19Å; V423-T461 HydrophobicContact CG2-CG2 3.62Å; V423-N463 PolarHBondContact N-O 3.36Å; V423-I464 WeakPolarHBondContact O-CA 3.35Å; V423-V465 PolarHBondContact O-N 2.72Å
424F98.9Very high93.1Very high0 Ų034.3 Ų34.30%021%0.208CC..EExtended strand (participates in β ladder)trans-97131.4170.8-179.6-101.4000110.5I348 I357 V358 A360 N367 F371 V465 F467I348-F424 HydrophobicContact CD1-CE2 4.28Å; I348-F424 HydrophobicContact CG2-CD2 4.02Å; I348-F424 HydrophobicContact CG2-CE2 3.72Å; I357-F424 HydrophobicContact CD1-CB 4.32Å; V358-F424 PolarHBondContact O-N 2.87Å; A360-F424 PolarHBondContact N-O 3.3Å; A360-F424 VanDerWaalsContact N-O 3.11Å; N367-F424 HydrophobicContact CB-CD1 4.37Å; N367-F424 HydrophobicContact CB-CE1 3.86Å; N367-F424 HydrophobicContact CB-CZ 4.33Å; F371-F424 HydrophobicContact CE2-CB 3.75Å; F371-F424 AromaticContact CE2-CD1 3.63Å; F371-F424 HydrophobicContact CE2-CD1 3.63Å; F371-F424 HydrophobicContact CE2-CD2 4.33Å; F371-F424 HydrophobicContact CE2-CE1 4.27Å; F371-F424 AromaticContact CE2-CG 3.64Å; F371-F424 HydrophobicContact CE2-CG 3.64Å; F371-F424 HydrophobicContact CZ-CB 3.7Å; F371-F424 AromaticContact CZ-CD1 3.79Å; F371-F424 HydrophobicContact CZ-CD1 3.79Å; F371-F424 AromaticContact CZ-CD2 3.65Å; F371-F424 HydrophobicContact CZ-CD2 3.65Å; F371-F424 HydrophobicContact CZ-CE1 4.28Å; F371-F424 HydrophobicContact CZ-CE2 4.18Å; F371-F424 AromaticContact CZ-CG 3.42Å; F371-F424 HydrophobicContact CZ-CG 3.42Å; F371-F424 VanDerWaalsContact CZ-CG 3.42Å; F371-F424 HydrophobicContact CZ-CZ 4.46Å; F424-V465 CarbonylContact C-O 3.51Å; F424-V465 WeakPolarHBondContact CA-O 3.25Å; F424-V465 HydrophobicContact CD2-CB 3.97Å; F424-V465 HydrophobicContact CD2-CG1 3.8Å; F424-V465 HydrophobicContact CE2-CG1 4.1Å; F424-F467 HydrophobicContact CE2-CB 3.87Å; F424-F467 HydrophobicContact CZ-CB 3.59Å; F424-F467 HydrophobicContact CZ-CG 4.12Å
425L98.7Very high92.6Very high0 Ų038.5 Ų38.50%023%0.228CC..EExtended strand (participates in β ladder)trans-120.5113.7-177.6-56178.2000109.4A360 F361 F411 V423 P427 I453 A457 I464 V465 Y466 F467A360-L425 HydrophobicContact CB-CD2 3.72Å; F361-L425 HydrophobicContact CE2-CD2 4.12Å; F411-L425 HydrophobicContact CE1-CD2 4.42Å; F411-L425 HydrophobicContact CZ-CD2 4.45Å; V423-L425 HydrophobicContact CG1-CD2 3.56Å; V423-L425 HydrophobicContact CG1-CG 4.12Å; L425-P427 VanDerWaalsContact C-CD 3.45Å; L425-I453 HydrophobicContact CD1-CG2 3.83Å; L425-I453 HydrophobicContact CD2-CG2 3.72Å; L425-I453 HydrophobicContact CG-CG2 4.26Å; L425-A457 HydrophobicContact CD1-CB 3.97Å; L425-A457 HydrophobicContact CD2-CB 4.03Å; L425-A457 HydrophobicContact CG-CB 4.42Å; L425-I464 HydrophobicContact CD1-CG2 3.48Å; L425-I464 VanDerWaalsContact CD1-CG2 3.48Å; L425-I464 HydrophobicContact CG-CG2 4Å; L425-V465 PolarHBondContact N-O 2.93Å; L425-Y466 HydrophobicContact CB-CD1 3.91Å; L425-Y466 HydrophobicContact CB-CD2 4.31Å; L425-Y466 HydrophobicContact CB-CE1 4.1Å; L425-Y466 HydrophobicContact CB-CE2 4.48Å; L425-Y466 HydrophobicContact CB-CG 4.01Å; L425-Y466 HydrophobicContact CD1-CD2 3.68Å; L425-Y466 HydrophobicContact CD1-CE2 3.76Å; L425-Y466 HydrophobicContact CD1-CG 4.19Å; L425-F467 PolarHBondContact O-N 3.13Å
426S97.6Very high92.1Very high18 Ų1845.4 Ų45.413%0.12626%0.264CS..  trans-131.461.7169-176.50000110.6
427P96.4Very high91.8Very high1 Ų144.9 Ų44.91%0.00626%0.262CS..  trans-63.1161.5-179.428.3-35.2000112F361 L425 W429 M445 M448 I453 Y466F361-P427 HydrophobicContact CD1-CB 4.36Å; F361-P427 HydrophobicContact CD2-CB 4.09Å; F361-P427 HydrophobicContact CE1-CB 4.27Å; F361-P427 HydrophobicContact CE2-CB 4Å; F361-P427 HydrophobicContact CG-CB 4.27Å; F361-P427 HydrophobicContact CZ-CB 4.09Å; L425-P427 VanDerWaalsContact C-CD 3.45Å; P427-W429 PolarHBondContact O-N 2.97Å; P427-W429 PolarHBondContact O-NE1 3.17Å; P427-M445 HydrophobicContact CG-CE 4.09Å; P427-M445 HydrophobicContact CG-CG 4.18Å; P427-M445 HydrophobicContact CG-SD 3.99Å; P427-M448 HydrophobicContact CB-CE 3.93Å; P427-I453 HydrophobicContact CB-CD1 3.66Å; P427-I453 HydrophobicContact CG-CD1 3.83Å; P427-Y466 HydrophobicContact CG-CE1 3.59Å
428P93.7Very high91.5Very high68 Ų6847 Ų4744%0.44229%0.285SS..  trans-59.3134.1176.624.3-36.2000112.5M448P428-M448 HydrophobicContact CG-CE 3.8Å
429W91.9Very high91.4Very high44 Ų4450.3 Ų50.317%0.16731%0.306CS..  trans-92.92.3-179.9-54.2-17.8000114P427 Y434 F440 M445 F467 P469 T500P427-W429 PolarHBondContact O-N 2.97Å; P427-W429 PolarHBondContact O-NE1 3.17Å; W429-Y434 HydrophobicContact CE3-CD1 4.21Å; W429-Y434 AromaticContact CE3-CE1 3.83Å; W429-Y434 HydrophobicContact CE3-CE1 3.83Å; W429-Y434 HydrophobicContact CZ3-CE1 4.28Å; W429-F440 HydrophobicContact CB-CE2 4.45Å; W429-F440 HydrophobicContact CB-CZ 4.26Å; W429-M445 HydrophobicContact CG-SD 4.29Å; W429-F467 AromaticContact CH2-CD1 3.88Å; W429-F467 HydrophobicContact CH2-CD1 3.88Å; W429-F467 AromaticContact CH2-CE1 3.62Å; W429-F467 HydrophobicContact CH2-CE1 3.62Å; W429-F467 AromaticContact CZ2-CD1 3.47Å; W429-F467 HydrophobicContact CZ2-CD1 3.47Å; W429-F467 VanDerWaalsContact CZ2-CD1 3.47Å; W429-F467 AromaticContact CZ2-CE1 3.73Å; W429-F467 HydrophobicContact CZ2-CE1 3.73Å; W429-F467 HydrophobicContact CZ2-CG 4.4Å; W429-F467 PolarHBondContact NE1-O 3.08Å; W429-P469 HydrophobicContact CB-CG 4.21Å; W429-P469 HydrophobicContact CD2-CG 3.55Å; W429-P469 HydrophobicContact CE3-CB 4.4Å; W429-P469 HydrophobicContact CE3-CG 3.71Å; W429-P469 HydrophobicContact CG-CG 3.79Å; W429-P469 HydrophobicContact CZ3-CG 4.27Å; W429-T500 HydrophobicContact CH2-CG2 3.72Å; W429-T500 HydrophobicContact CZ3-CG2 4.32Å
430G87.9Confident91.5Very high66 Ų6648.2 Ų48.268%0.6829%0.293SS*.SBendtrans81.322-172.700000114.5
431G86.6Confident91.3Very high17 Ų1749.5 Ų49.518%0.17530%0.302CS..SBendtrans80.3-173179.700000113.9N433 Y434G431-N433 PolarHBondContact O-N 2.85Å; G431-Y434 WeakPolarHBondContact O-CD1 3.33Å
432P85.6Confident91.1Very high42 Ų4246.2 Ų46.227%0.27328%0.284SS..G310 helixtrans-70.3-3.4-169.629.3-36.1000114.8Y434 Q435P432-Y434 PolarHBondContact O-N 3.39Å; P432-Q435 WeakPolarHBondContact O-CB 3.37Å; P432-Q435 VanDerWaalsContact O-CG 3.25Å; P432-Q435 WeakPolarHBondContact O-CG 3.37Å; P432-Q435 PolarHBondContact O-N 2.84Å
433N87.6Confident90.8Very high109 Ų10948.2 Ų48.258%0.58329%0.294SS*.G310 helixtrans-67.9-14.7-178.1-69.6-20.3000113.6G431 Q435 L436G431-N433 PolarHBondContact O-N 2.85Å; N433-Q435 PolarHBondContact O-N 3.29Å; N433-L436 HydrophobicContact CB-CD1 4.28Å; N433-L436 WeakPolarHBondContact O-CB 3.24Å; N433-L436 WeakPolarHBondContact O-CG 3.47Å; N433-L436 PolarHBondContact O-N 2.85Å
434Y85Confident90.5Very high37 Ų3756.5 Ų56.515%0.14533%0.33CS..G310 helixtrans-54.6-23.2170.272-97.9000112.6W429 G431 P432 L436 S437 P469 R470 N471W429-Y434 HydrophobicContact CE3-CD1 4.21Å; W429-Y434 AromaticContact CE3-CE1 3.83Å; W429-Y434 HydrophobicContact CE3-CE1 3.83Å; W429-Y434 HydrophobicContact CZ3-CE1 4.28Å; G431-Y434 WeakPolarHBondContact O-CD1 3.33Å; P432-Y434 PolarHBondContact O-N 3.39Å; Y434-L436 PolarHBondContact O-N 3.2Å; Y434-S437 PolarHBondContact O-N 2.98Å; Y434-P469 HydrophobicContact CD2-CB 3.74Å; Y434-P469 HydrophobicContact CD2-CG 4.36Å; Y434-P469 HydrophobicContact CE2-CB 3.96Å; Y434-P469 HydrophobicContact CG-CB 4.19Å; Y434-P469 HydrophobicContact CG-CG 4.32Å; Y434-R470 HydrophobicContact CE2-CG 4.49Å; Y434-N471 WeakPolarHBondContact CD2-OD1 3.36Å; Y434-N471 PolarHBondContact O-ND2 2.83Å
435Q84.1Confident90.2Very high87 Ų8757.3 Ų57.341%0.40733%0.334SS..G310 helixtrans-71.6-14.6178.7-60.1175.435.100113.4P432 N433 S437P432-Q435 WeakPolarHBondContact O-CB 3.37Å; P432-Q435 VanDerWaalsContact O-CG 3.25Å; P432-Q435 WeakPolarHBondContact O-CG 3.37Å; P432-Q435 PolarHBondContact O-N 2.84Å; N433-Q435 PolarHBondContact O-N 3.29Å; Q435-S437 VanDerWaalsContact C-N 3.35Å
436L83.6Confident90Very high146 Ų14657.7 Ų57.776%0.76434%0.337SS*.G310 helixtrans-81.9-14.5179.3-58.6177.1000112.8N433 Y434N433-L436 HydrophobicContact CB-CD1 4.28Å; N433-L436 WeakPolarHBondContact O-CB 3.24Å; N433-L436 WeakPolarHBondContact O-CG 3.47Å; N433-L436 PolarHBondContact O-N 2.85Å; Y434-L436 PolarHBondContact O-N 3.2Å
437S85.4Confident89.7Confident72 Ų7259.9 Ų59.950%0.50336%0.356SS..SBendtrans-107.1144177.7-60.60000110.8Y434 Q435 T439 N471Y434-S437 PolarHBondContact O-N 2.98Å; Q435-S437 VanDerWaalsContact C-N 3.35Å; S437-T439 PolarHBondContact O-N 3.13Å; S437-N471 PolarHBondContact O-ND2 3.21Å
438S86.2Confident89.5Confident114 Ų11461.8 Ų61.880%0.79737%0.365SS*.SBendtrans-64.7-31.9174.951.30000112.4
439T90.4Very high89Confident82 Ų8263.6 Ų63.650%0.50337%0.368SS..  trans-132.5131.2-177.4-52.80000110.6S437 N471S437-T439 PolarHBondContact O-N 3.13Å; T439-N471 CarbonylContact C-O 3.6Å; T439-N471 WeakPolarHBondContact CA-O 3.47Å
440F92.1Very high88.7Confident28 Ų2869.6 Ų69.612%0.12340%0.403CS..BIsolated β-bridgetrans-97.7130.7171.5-177.1-92.3000109.9W429 M445 P469 N471 S472 S473W429-F440 HydrophobicContact CB-CE2 4.45Å; W429-F440 HydrophobicContact CB-CZ 4.26Å; F440-M445 HydrophobicContact CE1-CB 3.95Å; F440-M445 HydrophobicContact CE1-CE 4.2Å; F440-M445 HydrophobicContact CE1-CG 4.38Å; F440-M445 HydrophobicContact CE1-SD 3.7Å; F440-M445 HydrophobicContact CZ-CB 3.94Å; F440-M445 HydrophobicContact CZ-CG 4.23Å; F440-M445 HydrophobicContact CZ-SD 3.8Å; F440-P469 HydrophobicContact CB-CB 4.29Å; F440-P469 HydrophobicContact CB-CG 4.49Å; F440-P469 HydrophobicContact CD1-CB 4.24Å; F440-P469 HydrophobicContact CD1-CG 3.65Å; F440-P469 HydrophobicContact CD2-CG 4.03Å; F440-P469 HydrophobicContact CE1-CG 3.73Å; F440-P469 HydrophobicContact CE2-CG 4.09Å; F440-P469 HydrophobicContact CG-CB 4.12Å; F440-P469 HydrophobicContact CG-CG 3.8Å; F440-P469 HydrophobicContact CZ-CG 3.94Å; F440-N471 PolarHBondContact N-O 2.87Å; F440-S472 WeakPolarHBondContact O-CA 3.36Å; F440-S473 PolarHBondContact O-N 3.36Å
441S92.9Very high88.7Confident34 Ų3471.1 Ų71.124%0.23839%0.392CS..  trans-90.4112.2179.4177.20000110.6L443 K444 M445 D476S441-L443 VanDerWaalsContact C-N 3.33Å; S441-K444 PolarHBondContact OG-N 3.27Å; S441-M445 PolarHBondContact O-N 2.82Å; S441-D476 VanDerWaalsContact C-OD2 3.32Å; S441-D476 WeakPolarHBondContact CA-OD2 3.3Å; S441-D476 VanDerWaalsContact CB-OD2 3.3Å; S441-D476 WeakPolarHBondContact CB-OD2 3.4Å; S441-D476 PolarHBondContact OG-OD2 2.89Å
442I91.5Very high89Confident0 Ų071.6 Ų71.60%039%0.393CS..Hα-helixtrans-67.7-38.2176.8-57.9174.1000109.6K444 M445 D446 V468 D476 I477 L480 I503I442-K444 VanDerWaalsContact C-N 3.26Å; I442-K444 PolarHBondContact O-N 3.02Å; I442-M445 HydrophobicContact CG2-CE 4.07Å; I442-M445 PolarHBondContact O-N 3.13Å; I442-D446 WeakPolarHBondContact O-CB 3.39Å; I442-D446 PolarHBondContact O-N 2.75Å; I442-V468 HydrophobicContact CD1-CG1 4.28Å; I442-V468 HydrophobicContact CD1-CG2 4.29Å; I442-V468 HydrophobicContact CG1-CG1 4.44Å; I442-D476 HydrophobicContact CB-CB 3.95Å; I442-D476 HydrophobicContact CG1-CB 4.35Å; I442-D476 PolarHBondContact N-OD2 3.29Å; I442-I477 HydrophobicContact CD1-CB 4.4Å; I442-I477 HydrophobicContact CD1-CD1 4.02Å; I442-I477 HydrophobicContact CD1-CG1 3.21Å; I442-L480 HydrophobicContact CG2-CD2 4.04Å; I442-I503 HydrophobicContact CD1-CD1 3.85Å
443L92.2Very high89.6Confident48 Ų4869.6 Ų69.625%0.25138%0.38SS..Hα-helixtrans-60.8-35.7-178.5-62.4174.8000112.3S441 A447 D476 E479 L480S441-L443 VanDerWaalsContact C-N 3.33Å; L443-A447 WeakPolarHBondContact O-CB 3.38Å; L443-A447 PolarHBondContact O-N 3.25Å; L443-A447 VanDerWaalsContact O-N 3.13Å; L443-D476 HydrophobicContact CD1-CB 4.35Å; L443-D476 HydrophobicContact CG-CB 3.92Å; L443-D476 PolarHBondContact N-OD2 3.19Å; L443-E479 HydrophobicContact CD1-CB 4.27Å; L443-E479 VanDerWaalsContact CD1-CD 3.46Å; L443-E479 HydrophobicContact CD1-CG 4.09Å; L443-E479 WeakPolarHBondContact CD1-OE2 3.44Å; L443-E479 HydrophobicContact CD2-CG 4.43Å; L443-L480 HydrophobicContact CD2-CB 4.33Å; L443-L480 HydrophobicContact CD2-CD1 4.29Å
444K92.1Very high90Very high173 Ų17365.8 Ų65.875%0.75236%0.358SS*.Hα-helixtrans-69-36.6174.7-70.4-177.4-176.71790112.9S441 I442S441-K444 PolarHBondContact OG-N 3.27Å; I442-K444 VanDerWaalsContact C-N 3.26Å; I442-K444 PolarHBondContact O-N 3.02Å
445M93Very high90.5Very high18 Ų1872.9 Ų72.99%0.08938%0.384CS..Hα-helixtrans-74.5-37.4177.1179.2-169.26500111.7P427 W429 F440 S441 I442 A447 Y466 V468P427-M445 HydrophobicContact CG-CE 4.09Å; P427-M445 HydrophobicContact CG-CG 4.18Å; P427-M445 HydrophobicContact CG-SD 3.99Å; W429-M445 HydrophobicContact CG-SD 4.29Å; F440-M445 HydrophobicContact CE1-CB 3.95Å; F440-M445 HydrophobicContact CE1-CE 4.2Å; F440-M445 HydrophobicContact CE1-CG 4.38Å; F440-M445 HydrophobicContact CE1-SD 3.7Å; F440-M445 HydrophobicContact CZ-CB 3.94Å; F440-M445 HydrophobicContact CZ-CG 4.23Å; F440-M445 HydrophobicContact CZ-SD 3.8Å; S441-M445 PolarHBondContact O-N 2.82Å; I442-M445 HydrophobicContact CG2-CE 4.07Å; I442-M445 PolarHBondContact O-N 3.13Å; M445-A447 VanDerWaalsContact C-N 3.3Å; M445-A447 PolarHBondContact O-N 3.2Å; M445-Y466 HydrophobicContact CE-CD1 4.34Å; M445-Y466 HydrophobicContact CE-CE1 3.41Å; M445-Y466 VanDerWaalsContact CE-CE1 3.41Å; M445-V468 HydrophobicContact CE-CG1 4.01Å
446D93.4Very high91Very high8 Ų869.9 Ų69.94%0.04337%0.372CS..Hα-helixtrans-65.6-32.8177.2-17772.9000112I442 M448 S452 I453 F454 L480I442-D446 WeakPolarHBondContact O-CB 3.39Å; I442-D446 PolarHBondContact O-N 2.75Å; D446-M448 PolarHBondContact O-N 3.36Å; D446-S452 WeakPolarHBondContact O-CA 3.48Å; D446-S452 WeakPolarHBondContact OD2-CA 3.3Å; D446-S452 WeakPolarHBondContact OD2-CB 3.36Å; D446-S452 PolarHBondContact OD2-OG 2.87Å; D446-I453 WeakPolarHBondContact O-CG1 3.23Å; D446-I453 PolarHBondContact O-N 3.32Å; D446-I453 WeakPolarHBondContact OD1-CB 3.23Å; D446-I453 PolarHBondContact OD1-N 2.96Å; D446-F454 VanDerWaalsContact OD1-CB 3.3Å; D446-F454 WeakPolarHBondContact OD1-CB 3.47Å; D446-F454 PolarHBondContact OD1-N 3.5Å; D446-L480 HydrophobicContact CB-CD1 4.35Å
447A92.5Very high91.6Very high64 Ų6462.9 Ų62.953%0.52934%0.336SS..EExtended strand (participates in β ladder)trans-77.478.6174.600000111.8L443 M445 H451L443-A447 WeakPolarHBondContact O-CB 3.38Å; L443-A447 PolarHBondContact O-N 3.25Å; L443-A447 VanDerWaalsContact O-N 3.13Å; M445-A447 VanDerWaalsContact C-N 3.3Å; M445-A447 PolarHBondContact O-N 3.2Å; A447-H451 CarbonylContact C-O 3.34Å; A447-H451 WeakPolarHBondContact CA-O 3.35Å
448M91.1Very high92Very high41 Ų4162 Ų6220%0.20233%0.33CS..EExtended strand (participates in β ladder)trans-112.4133.7-178.7177.4-174-65.200110.9F361 F412 P427 P428 D446 N450 H451 I453F361-M448 HydrophobicContact CE1-CE 4.46Å; F361-M448 HydrophobicContact CE1-SD 4.08Å; F361-M448 HydrophobicContact CZ-SD 4.45Å; F412-M448 HydrophobicContact CE2-CB 4.24Å; F412-M448 HydrophobicContact CE2-CG 3.84Å; F412-M448 HydrophobicContact CE2-SD 3.77Å; F412-M448 HydrophobicContact CZ-CB 3.89Å; F412-M448 HydrophobicContact CZ-CG 4.01Å; F412-M448 HydrophobicContact CZ-SD 4.07Å; P427-M448 HydrophobicContact CB-CE 3.93Å; P428-M448 HydrophobicContact CG-CE 3.8Å; D446-M448 PolarHBondContact O-N 3.36Å; M448-N450 PolarHBondContact O-N 2.92Å; M448-H451 PolarHBondContact N-O 3.3Å; M448-H451 WeakPolarHBondContact O-CA 3.43Å; M448-H451 WeakPolarHBondContact O-CB 3.37Å; M448-H451 PolarHBondContact O-N 2.85Å; M448-I453 HydrophobicContact CB-CD1 4.02Å; M448-I453 HydrophobicContact CB-CG1 4.16Å; M448-I453 HydrophobicContact CE-CD1 3.87Å; M448-I453 HydrophobicContact SD-CD1 4.2Å
449Q85Confident92.3Very high106 Ų10661.5 Ų61.550%0.49532%0.321SS..THydrogen-bonded Turntrans5333-176.4-58-167.662.600114D410 F412 H451D410-Q449 PolarHBondContact OD2-NE2 2.89Å; D410-Q449 PolarHBondContact OD2-OE1 3.1Å; F412-Q449 HydrophobicContact CD2-CB 4.47Å; F412-Q449 HydrophobicContact CE2-CB 4.37Å; F412-Q449 HydrophobicContact CE2-CG 4.33Å; Q449-H451 PolarHBondContact O-CD2 2.92Å; Q449-H451 PolarHBondContact O-N 3.24Å
450N85.1Confident92.6Very high170 Ų17058.3 Ų58.391%0.90930%0.301SS*.THydrogen-bonded Turntrans64.412.8-172.1-50.7-54.6000115.2M448M448-N450 PolarHBondContact O-N 2.92Å
451H86.8Confident92.7Very high97 Ų9758 Ų5845%0.44930%0.301SS..EExtended strand (participates in β ladder)trans-111.8152.3174.3-63-72000110.3F412 A447 M448 Q449 V456F412-H451 HydrophobicContact CD1-CB 3.59Å; F412-H451 HydrophobicContact CE1-CB 3.5Å; F412-H451 HydrophobicContact CG-CB 4.38Å; F412-H451 HydrophobicContact CZ-CB 4.25Å; A447-H451 CarbonylContact C-O 3.34Å; A447-H451 WeakPolarHBondContact CA-O 3.35Å; M448-H451 PolarHBondContact N-O 3.3Å; M448-H451 WeakPolarHBondContact O-CA 3.43Å; M448-H451 WeakPolarHBondContact O-CB 3.37Å; M448-H451 PolarHBondContact O-N 2.85Å; Q449-H451 PolarHBondContact O-CD2 2.92Å; Q449-H451 PolarHBondContact O-N 3.24Å; H451-V456 HydrophobicContact CB-CG2 4.33Å
452S94.5Very high92.8Very high27 Ų2766.5 Ų66.519%0.18933%0.328CS..EExtended strand (participates in β ladder)trans-90.2118.7167.6161.90000108.3D446 F454 R455 V456D446-S452 WeakPolarHBondContact O-CA 3.48Å; D446-S452 WeakPolarHBondContact OD2-CA 3.3Å; D446-S452 WeakPolarHBondContact OD2-CB 3.36Å; D446-S452 PolarHBondContact OD2-OG 2.87Å; S452-F454 VanDerWaalsContact C-N 3.3Å; S452-F454 PolarHBondContact O-N 3.2Å; S452-R455 PolarHBondContact O-N 3.48Å; S452-R455 WeakPolarHBondContact OG-CG 3.38Å; S452-R455 PolarHBondContact OG-N 3.43Å; S452-V456 VanDerWaalsContact O-CG2 3.28Å; S452-V456 WeakPolarHBondContact O-CG2 3.4Å; S452-V456 PolarHBondContact O-N 3.04Å
453I97.4Very high93Very high0 Ų068 Ų680%034%0.336CS..Hα-helixtrans-57.2-47.1178.7-62.7167.9000109.9F361 F411 F412 L425 P427 D446 M448 R455 V456 A457F361-I453 HydrophobicContact CE2-CD1 4.33Å; F361-I453 HydrophobicContact CE2-CG2 3.66Å; F361-I453 HydrophobicContact CZ-CD1 3.93Å; F361-I453 HydrophobicContact CZ-CG1 4.17Å; F361-I453 HydrophobicContact CZ-CG2 3.94Å; F411-I453 HydrophobicContact CE1-CG2 4.33Å; F412-I453 HydrophobicContact CE1-CG1 4.01Å; F412-I453 HydrophobicContact CZ-CG1 3.63Å; L425-I453 HydrophobicContact CD1-CG2 3.83Å; L425-I453 HydrophobicContact CD2-CG2 3.72Å; L425-I453 HydrophobicContact CG-CG2 4.26Å; P427-I453 HydrophobicContact CB-CD1 3.66Å; P427-I453 HydrophobicContact CG-CD1 3.83Å; D446-I453 WeakPolarHBondContact O-CG1 3.23Å; D446-I453 PolarHBondContact O-N 3.32Å; D446-I453 WeakPolarHBondContact OD1-CB 3.23Å; D446-I453 PolarHBondContact OD1-N 2.96Å; M448-I453 HydrophobicContact CB-CD1 4.02Å; M448-I453 HydrophobicContact CB-CG1 4.16Å; M448-I453 HydrophobicContact CE-CD1 3.87Å; M448-I453 HydrophobicContact SD-CD1 4.2Å; I453-R455 PolarHBondContact O-N 3.43Å; I453-V456 PolarHBondContact O-N 3.47Å; I453-A457 WeakPolarHBondContact O-CB 3.42Å; I453-A457 PolarHBondContact O-N 3.45Å
454F95.7Very high93.2Very high29 Ų2965.8 Ų65.813%0.12733%0.325CS..Hα-helixtrans-59.3-44.6179.1-175-99.5000112.2D446 S452 V456 A457 S458 I464 Y466 L480 F505D446-F454 VanDerWaalsContact OD1-CB 3.3Å; D446-F454 WeakPolarHBondContact OD1-CB 3.47Å; D446-F454 PolarHBondContact OD1-N 3.5Å; S452-F454 VanDerWaalsContact C-N 3.3Å; S452-F454 PolarHBondContact O-N 3.2Å; F454-V456 PolarHBondContact O-N 3.22Å; F454-A457 PolarHBondContact O-N 3.25Å; F454-S458 WeakPolarHBondContact O-CB 3.39Å; F454-S458 PolarHBondContact O-N 2.66Å; F454-S458 PolarHBondContact O-OG 3.38Å; F454-I464 HydrophobicContact CD2-CD1 3.88Å; F454-I464 HydrophobicContact CD2-CG2 4.08Å; F454-I464 HydrophobicContact CE2-CB 4.14Å; F454-I464 HydrophobicContact CE2-CD1 3.67Å; F454-I464 HydrophobicContact CE2-CG2 4.11Å; F454-I464 HydrophobicContact CG-CD1 4.48Å; F454-I464 HydrophobicContact CZ-CD1 4.12Å; F454-Y466 HydrophobicContact CB-CE2 4.45Å; F454-Y466 HydrophobicContact CD2-CD2 4.37Å; F454-L480 HydrophobicContact CB-CD1 3.61Å; F454-L480 HydrophobicContact CB-CD2 4.16Å; F454-L480 HydrophobicContact CB-CG 4Å; F454-L480 HydrophobicContact CD1-CD1 4.11Å; F454-L480 HydrophobicContact CD1-CG 4.04Å; F454-L480 HydrophobicContact CD2-CD2 4.01Å; F454-L480 HydrophobicContact CD2-CG 4.08Å; F454-L480 WeakPolarHBondContact CE1-O 3.37Å; F454-L480 HydrophobicContact CG-CD1 3.88Å; F454-L480 HydrophobicContact CG-CD2 4.09Å; F454-L480 HydrophobicContact CG-CG 3.77Å; F454-F505 HydrophobicContact CD2-CD2 4.48Å; F454-F505 HydrophobicContact CD2-CE2 4.31Å; F454-F505 HydrophobicContact CD2-CZ 4.43Å; F454-F505 HydrophobicContact CE2-CB 4.19Å; F454-F505 AromaticContact CE2-CD1 3.67Å; F454-F505 HydrophobicContact CE2-CD1 3.67Å; F454-F505 AromaticContact CE2-CD2 3.62Å; F454-F505 HydrophobicContact CE2-CD2 3.62Å; F454-F505 AromaticContact CE2-CE1 3.81Å; F454-F505 HydrophobicContact CE2-CE1 3.81Å; F454-F505 AromaticContact CE2-CE2 3.77Å; F454-F505 HydrophobicContact CE2-CE2 3.77Å; F454-F505 AromaticContact CE2-CG 3.56Å; F454-F505 HydrophobicContact CE2-CG 3.56Å; F454-F505 AromaticContact CE2-CZ 3.85Å; F454-F505 HydrophobicContact CE2-CZ 3.85Å; F454-F505 HydrophobicContact CZ-CB 4.37Å; F454-F505 AromaticContact CZ-CD1 3.69Å; F454-F505 HydrophobicContact CZ-CD1 3.69Å; F454-F505 HydrophobicContact CZ-CD2 4.44Å; F454-F505 AromaticContact CZ-CE1 3.98Å; F454-F505 HydrophobicContact CZ-CE1 3.98Å; F454-F505 AromaticContact CZ-CG 3.94Å; F454-F505 HydrophobicContact CZ-CG 3.94Å; F454-F505 HydrophobicContact CZ-CZ 4.46Å
455R94.8Very high93.5Very high186 Ų18657.6 Ų57.670%0.70229%0.289SS*.Hα-helixtrans-63-43.3176.5-72.4-174.7-179.3-159.31.1111.7S452 I453 S458 V459S452-R455 PolarHBondContact O-N 3.48Å; S452-R455 WeakPolarHBondContact OG-CG 3.38Å; S452-R455 PolarHBondContact OG-N 3.43Å; I453-R455 PolarHBondContact O-N 3.43Å; R455-S458 WeakPolarHBondContact CA-OG 3.37Å; R455-S458 PolarHBondContact O-N 3.27Å; R455-S458 PolarHBondContact O-OG 3.21Å; R455-V459 PolarHBondContact O-N 3.44Å
456V95Very high93.7Very high24 Ų2456.7 Ų56.715%0.14529%0.285CS..Hα-helixtrans-65.2-43.7178.9170.90000110.9F411 F412 A415 H451 S452 I453 F454 S458 V459F411-V456 HydrophobicContact CD1-CG1 4.28Å; F411-V456 HydrophobicContact CE1-CB 4.37Å; F411-V456 HydrophobicContact CE1-CG1 3.78Å; F411-V456 HydrophobicContact CZ-CG1 4.24Å; F412-V456 HydrophobicContact CD1-CB 4.2Å; F412-V456 HydrophobicContact CD1-CG1 4.07Å; F412-V456 HydrophobicContact CD1-CG2 3.78Å; F412-V456 HydrophobicContact CE1-CB 4.46Å; F412-V456 HydrophobicContact CE1-CG2 4.15Å; A415-V456 HydrophobicContact CB-CG1 3.37Å; H451-V456 HydrophobicContact CB-CG2 4.33Å; S452-V456 VanDerWaalsContact O-CG2 3.28Å; S452-V456 WeakPolarHBondContact O-CG2 3.4Å; S452-V456 PolarHBondContact O-N 3.04Å; I453-V456 PolarHBondContact O-N 3.47Å; F454-V456 PolarHBondContact O-N 3.22Å; V456-S458 VanDerWaalsContact C-N 3.28Å; V456-S458 PolarHBondContact O-N 3.03Å; V456-V459 WeakPolarHBondContact O-CB 3.5Å; V456-V459 PolarHBondContact O-N 3.18Å
457A97.3Very high93.9Very high0 Ų056.5 Ų56.50%028%0.283CS..Hα-helixtrans-60.2-37.2173.600000112.6F411 V423 L425 I453 F454 V459 I460 T461 I464F411-A457 HydrophobicContact CZ-CB 4.23Å; V423-A457 HydrophobicContact CB-CB 4.35Å; V423-A457 HydrophobicContact CG1-CB 3.83Å; L425-A457 HydrophobicContact CD1-CB 3.97Å; L425-A457 HydrophobicContact CD2-CB 4.03Å; L425-A457 HydrophobicContact CG-CB 4.42Å; I453-A457 WeakPolarHBondContact O-CB 3.42Å; I453-A457 PolarHBondContact O-N 3.45Å; F454-A457 PolarHBondContact O-N 3.25Å; A457-V459 PolarHBondContact O-N 2.72Å; A457-I460 WeakPolarHBondContact O-CB 3.45Å; A457-I460 PolarHBondContact O-N 2.65Å; A457-T461 PolarHBondContact O-N 3.01Å; A457-I464 HydrophobicContact CB-CD1 3.91Å; A457-I464 HydrophobicContact CB-CG1 4.26Å
458S93.6Very high94.1Very high54 Ų5453.4 Ų53.438%0.37826%0.258SS..Hα-helixtrans-68.1-14.8178.872.30000115.1F454 R455 V456 I460 T461F454-S458 WeakPolarHBondContact O-CB 3.39Å; F454-S458 PolarHBondContact O-N 2.66Å; F454-S458 PolarHBondContact O-OG 3.38Å; R455-S458 WeakPolarHBondContact CA-OG 3.37Å; R455-S458 PolarHBondContact O-N 3.27Å; R455-S458 PolarHBondContact O-OG 3.21Å; V456-S458 VanDerWaalsContact C-N 3.28Å; V456-S458 PolarHBondContact O-N 3.03Å; S458-I460 VanDerWaalsContact C-N 3.29Å; S458-T461 WeakPolarHBondContact CA-O 3.41Å
459V93Very high94.3Very high102 Ų10251.5 Ų51.562%0.61825%0.248SC*.Hα-helixtrans-68.4-32.5168.8176.40000110.8R455 V456 A457R455-V459 PolarHBondContact O-N 3.44Å; V456-V459 WeakPolarHBondContact O-CB 3.5Å; V456-V459 PolarHBondContact O-N 3.18Å; A457-V459 PolarHBondContact O-N 2.72Å
460I95.3Very high94.6Very high15 Ų1551 Ų518%0.07724%0.242CC..Hα-helixtrans-79.7-52.3178.8-53.4170.6000110F411 A415 L418 A420 V423 A457 S458F411-I460 HydrophobicContact CE2-CD1 3.9Å; F411-I460 HydrophobicContact CZ-CD1 4.11Å; A415-I460 HydrophobicContact CB-CD1 3.91Å; A415-I460 HydrophobicContact CB-CG1 4.33Å; A415-I460 WeakPolarHBondContact O-CG1 3.29Å; L418-I460 HydrophobicContact CB-CD1 3.96Å; L418-I460 HydrophobicContact CB-CG1 4.1Å; L418-I460 HydrophobicContact CB-CG2 4.28Å; L418-I460 HydrophobicContact CD1-CD1 3.96Å; A420-I460 HydrophobicContact CB-CG2 3.91Å; V423-I460 HydrophobicContact CG2-CB 3.86Å; V423-I460 HydrophobicContact CG2-CD1 3.87Å; V423-I460 HydrophobicContact CG2-CG1 4.45Å; V423-I460 HydrophobicContact CG2-CG2 3.85Å; A457-I460 WeakPolarHBondContact O-CB 3.45Å; A457-I460 PolarHBondContact O-N 2.65Å; S458-I460 VanDerWaalsContact C-N 3.29Å
461T95.5Very high94.9Very high21 Ų2144.3 Ų44.313%0.12921%0.206CC..  trans-160.6154.1-177.4-178.70000111.9A420 D421 V423 A457 S458 N463A420-T461 WeakPolarHBondContact O-CB 3.46Å; D421-T461 PolarHBondContact O-OG1 2.67Å; V423-T461 HydrophobicContact CB-CG2 4.19Å; V423-T461 HydrophobicContact CG2-CG2 3.62Å; A457-T461 PolarHBondContact O-N 3.01Å; S458-T461 WeakPolarHBondContact CA-O 3.41Å; T461-N463 VanDerWaalsContact C-N 3.32Å; T461-N463 WeakPolarHBondContact CG2-O 3.21Å; T461-N463 PolarHBondContact OG1-N 3.43Å; T461-N463 VanDerWaalsContact OG1-N 3.16Å
462R93.4Very high95.2Very high213 Ų21340.4 Ų40.480%0.80419%0.19SC*.SBendtrans-79.3-14.8171.6-64-174.9-177.71761.1113.3I464 F505R462-I464 PolarHBondContact O-N 3.34Å; R462-F505 CarbonylContact O-C 3.23Å
463N95.5Very high94.9Very high33 Ų3340 Ų4018%0.17619%0.187CC..  trans-85.688.7178.2-54.9-43.4000109.3D421 V422 V423 T461 F505 N507 I508D421-N463 WeakPolarHBondContact O-CB 3.39Å; D421-N463 PolarHBondContact O-ND2 3.39Å; V422-N463 WeakPolarHBondContact CA-O 3.43Å; V422-N463 HydrophobicContact CG2-CB 4.18Å; V423-N463 PolarHBondContact N-O 3.36Å; T461-N463 VanDerWaalsContact C-N 3.32Å; T461-N463 WeakPolarHBondContact CG2-O 3.21Å; T461-N463 PolarHBondContact OG1-N 3.43Å; T461-N463 VanDerWaalsContact OG1-N 3.16Å; N463-F505 WeakPolarHBondContact CA-O 3.37Å; N463-N507 PolarHBondContact OD1-N 3.43Å; N463-I508 HydrophobicContact CB-CB 4.35Å; N463-I508 HydrophobicContact CB-CG2 4.09Å
464I96.8Very high94.5Very high1 Ų145.5 Ų45.51%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-110137-176.3-60.5168.2000108.6V423 L425 F454 A457 R462 F505V423-I464 WeakPolarHBondContact O-CA 3.35Å; L425-I464 HydrophobicContact CD1-CG2 3.48Å; L425-I464 VanDerWaalsContact CD1-CG2 3.48Å; L425-I464 HydrophobicContact CG-CG2 4Å; F454-I464 HydrophobicContact CD2-CD1 3.88Å; F454-I464 HydrophobicContact CD2-CG2 4.08Å; F454-I464 HydrophobicContact CE2-CB 4.14Å; F454-I464 HydrophobicContact CE2-CD1 3.67Å; F454-I464 HydrophobicContact CE2-CG2 4.11Å; F454-I464 HydrophobicContact CG-CD1 4.48Å; F454-I464 HydrophobicContact CZ-CD1 4.12Å; A457-I464 HydrophobicContact CB-CD1 3.91Å; A457-I464 HydrophobicContact CB-CG1 4.26Å; R462-I464 PolarHBondContact O-N 3.34Å; I464-F505 HydrophobicContact CB-CB 4.26Å; I464-F505 HydrophobicContact CB-CD2 4.26Å; I464-F505 HydrophobicContact CG2-CD2 4.35Å; I464-F505 PolarHBondContact N-O 3.15Å; I464-F505 WeakPolarHBondContact O-CD2 3.37Å; I464-F505 PolarHBondContact O-N 3.24Å
465V98.4Very high94.2Very high0 Ų048.5 Ų48.50%024%0.239CC..EExtended strand (participates in β ladder)trans-119119.8172.6-1770000108.6I348 V422 V423 F424 L425 T502 I503 Y504 I508I348-V465 HydrophobicContact CG2-CG1 4.24Å; V422-V465 HydrophobicContact CG1-CG2 4.11Å; V423-V465 PolarHBondContact O-N 2.72Å; F424-V465 CarbonylContact C-O 3.51Å; F424-V465 WeakPolarHBondContact CA-O 3.25Å; F424-V465 HydrophobicContact CD2-CB 3.97Å; F424-V465 HydrophobicContact CD2-CG1 3.8Å; F424-V465 HydrophobicContact CE2-CG1 4.1Å; L425-V465 PolarHBondContact N-O 2.93Å; V465-T502 HydrophobicContact CG1-CG2 3.48Å; V465-T502 VanDerWaalsContact CG1-CG2 3.48Å; V465-I503 CarbonylContact C-O 3.56Å; V465-I503 VanDerWaalsContact CA-O 3.3Å; V465-I503 WeakPolarHBondContact CA-O 3.39Å; V465-Y504 HydrophobicContact CB-CD1 4.31Å; V465-Y504 HydrophobicContact CG1-CD1 3.86Å; V465-Y504 HydrophobicContact CG1-CE1 3.72Å; V465-Y504 HydrophobicContact CG2-CD1 3.56Å; V465-Y504 HydrophobicContact CG2-CE1 4Å; V465-I508 HydrophobicContact CG2-CD1 3.74Å; V465-I508 HydrophobicContact CG2-CG2 4.27Å
466Y97.6Very high94Very high0 Ų040.7 Ų40.70%021%0.211CC..EExtended strand (participates in β ladder)trans-114.5115-174.7-145.7-39.2000110.1L425 P427 M445 F454 V468 L480 I503L425-Y466 HydrophobicContact CB-CD1 3.91Å; L425-Y466 HydrophobicContact CB-CD2 4.31Å; L425-Y466 HydrophobicContact CB-CE1 4.1Å; L425-Y466 HydrophobicContact CB-CE2 4.48Å; L425-Y466 HydrophobicContact CB-CG 4.01Å; L425-Y466 HydrophobicContact CD1-CD2 3.68Å; L425-Y466 HydrophobicContact CD1-CE2 3.76Å; L425-Y466 HydrophobicContact CD1-CG 4.19Å; P427-Y466 HydrophobicContact CG-CE1 3.59Å; M445-Y466 HydrophobicContact CE-CD1 4.34Å; M445-Y466 HydrophobicContact CE-CE1 3.41Å; M445-Y466 VanDerWaalsContact CE-CE1 3.41Å; F454-Y466 HydrophobicContact CB-CE2 4.45Å; F454-Y466 HydrophobicContact CD2-CD2 4.37Å; Y466-V468 HydrophobicContact CD1-CG1 3.52Å; Y466-V468 HydrophobicContact CE1-CG1 4.04Å; Y466-V468 HydrophobicContact CG-CG1 4.16Å; Y466-L480 HydrophobicContact CD2-CD2 3.89Å; Y466-L480 HydrophobicContact CE2-CD2 3.94Å; Y466-I503 PolarHBondContact N-O 2.66Å; Y466-I503 PolarHBondContact O-N 3.3Å
467F98.1Very high93.6Very high3 Ų339.7 Ų39.71%0.01321%0.205CC..EExtended strand (participates in β ladder)trans-91.5118.4176.8-167.4-108.7000110.6T340 I344 I348 F424 L425 W429 T500 T502T340-F467 HydrophobicContact CG2-CE1 4.16Å; T340-F467 HydrophobicContact CG2-CE2 4.03Å; T340-F467 HydrophobicContact CG2-CZ 3.59Å; T340-F467 VanDerWaalsContact OG1-CE1 3.27Å; T340-F467 WeakPolarHBondContact OG1-CE1 3.26Å; I344-F467 HydrophobicContact CG2-CE2 3.8Å; I344-F467 HydrophobicContact CG2-CZ 4.27Å; I348-F467 HydrophobicContact CD1-CD2 3.56Å; I348-F467 HydrophobicContact CD1-CE2 3.67Å; F424-F467 HydrophobicContact CE2-CB 3.87Å; F424-F467 HydrophobicContact CZ-CB 3.59Å; F424-F467 HydrophobicContact CZ-CG 4.12Å; L425-F467 PolarHBondContact O-N 3.13Å; W429-F467 AromaticContact CH2-CD1 3.88Å; W429-F467 HydrophobicContact CH2-CD1 3.88Å; W429-F467 AromaticContact CH2-CE1 3.62Å; W429-F467 HydrophobicContact CH2-CE1 3.62Å; W429-F467 AromaticContact CZ2-CD1 3.47Å; W429-F467 HydrophobicContact CZ2-CD1 3.47Å; W429-F467 VanDerWaalsContact CZ2-CD1 3.47Å; W429-F467 AromaticContact CZ2-CE1 3.73Å; W429-F467 HydrophobicContact CZ2-CE1 3.73Å; W429-F467 HydrophobicContact CZ2-CG 4.4Å; W429-F467 PolarHBondContact NE1-O 3.08Å; F467-T500 HydrophobicContact CE1-CG2 3.82Å; F467-T500 HydrophobicContact CE2-CG2 4.16Å; F467-T500 WeakPolarHBondContact CE2-OG1 3.38Å; F467-T500 VanDerWaalsContact CZ-CB 3.5Å; F467-T500 HydrophobicContact CZ-CG2 3.4Å; F467-T500 VanDerWaalsContact CZ-CG2 3.4Å; F467-T500 WeakPolarHBondContact CZ-OG1 3.24Å; F467-T502 WeakPolarHBondContact CD2-OG1 3.49Å
468V95.9Very high93.1Very high0 Ų044.8 Ų44.80%023%0.231CC..EExtended strand (participates in β ladder)trans-134.4162.3-169.5-54.20000112.6I442 M445 Y466 S472 V501 I503I442-V468 HydrophobicContact CD1-CG1 4.28Å; I442-V468 HydrophobicContact CD1-CG2 4.29Å; I442-V468 HydrophobicContact CG1-CG1 4.44Å; M445-V468 HydrophobicContact CE-CG1 4.01Å; Y466-V468 HydrophobicContact CD1-CG1 3.52Å; Y466-V468 HydrophobicContact CE1-CG1 4.04Å; Y466-V468 HydrophobicContact CG-CG1 4.16Å; V468-S472 WeakPolarHBondContact CB-OG 3.48Å; V468-S472 WeakPolarHBondContact CG2-OG 3.4Å; V468-V501 HydrophobicContact CG2-CB 3.8Å; V468-V501 HydrophobicContact CG2-CG1 3.92Å; V468-V501 PolarHBondContact N-O 2.81Å; V468-V501 PolarHBondContact O-N 2.88Å; V468-I503 HydrophobicContact CG1-CD1 3.97Å; V468-I503 HydrophobicContact CG2-CD1 3.81Å; V468-I503 HydrophobicContact CG2-CG1 4.29Å
469P95.4Very high92.9Very high0 Ų048.7 Ų48.70%024%0.244CC..EExtended strand (participates in β ladder)trans-56.8149.2175-2836.5000113.7W429 Y434 F440 N471 S472W429-P469 HydrophobicContact CB-CG 4.21Å; W429-P469 HydrophobicContact CD2-CG 3.55Å; W429-P469 HydrophobicContact CE3-CB 4.4Å; W429-P469 HydrophobicContact CE3-CG 3.71Å; W429-P469 HydrophobicContact CG-CG 3.79Å; W429-P469 HydrophobicContact CZ3-CG 4.27Å; Y434-P469 HydrophobicContact CD2-CB 3.74Å; Y434-P469 HydrophobicContact CD2-CG 4.36Å; Y434-P469 HydrophobicContact CE2-CB 3.96Å; Y434-P469 HydrophobicContact CG-CB 4.19Å; Y434-P469 HydrophobicContact CG-CG 4.32Å; F440-P469 HydrophobicContact CB-CB 4.29Å; F440-P469 HydrophobicContact CB-CG 4.49Å; F440-P469 HydrophobicContact CD1-CB 4.24Å; F440-P469 HydrophobicContact CD1-CG 3.65Å; F440-P469 HydrophobicContact CD2-CG 4.03Å; F440-P469 HydrophobicContact CE1-CG 3.73Å; F440-P469 HydrophobicContact CE2-CG 4.09Å; F440-P469 HydrophobicContact CG-CB 4.12Å; F440-P469 HydrophobicContact CG-CG 3.8Å; F440-P469 HydrophobicContact CZ-CG 3.94Å; P469-N471 WeakPolarHBondContact CB-OD1 3.42Å; P469-N471 PolarHBondContact O-N 3.12Å; P469-N471 VanDerWaalsContact O-N 3.12Å; P469-S472 WeakPolarHBondContact CD-OG 3.47Å; P469-S472 VanDerWaalsContact O-CB 3.29Å; P469-S472 WeakPolarHBondContact O-CB 3.19Å; P469-S472 PolarHBondContact O-N 3.02Å; P469-S472 VanDerWaalsContact O-N 3.08Å; P469-S472 PolarHBondContact O-OG 3.23Å
470R92.2Very high92.7Very high97 Ų9744.7 Ų44.737%0.36622%0.219SC..THydrogen-bonded Turntrans-57.3-24.8178.358.3-178.1-176.4-166.6-1.4116.3Y434 L498 K499Y434-R470 HydrophobicContact CE2-CG 4.49Å; R470-L498 HydrophobicContact CB-CD2 3.86Å; R470-L498 HydrophobicContact CB-CG 3.71Å; R470-L498 WeakPolarHBondContact CD-O 3.41Å; R470-L498 PolarHBondContact NH1-O 2.79Å; R470-K499 WeakPolarHBondContact CB-O 3.28Å
471N91.3Very high92.2Very high29 Ų2944.9 Ų44.916%0.15522%0.222CC..THydrogen-bonded Turntrans-100.920.5-179.161.1-28.9000111.9Y434 S437 T439 F440 P469Y434-N471 WeakPolarHBondContact CD2-OD1 3.36Å; Y434-N471 PolarHBondContact O-ND2 2.83Å; S437-N471 PolarHBondContact O-ND2 3.21Å; T439-N471 CarbonylContact C-O 3.6Å; T439-N471 WeakPolarHBondContact CA-O 3.47Å; F440-N471 PolarHBondContact N-O 2.87Å; P469-N471 WeakPolarHBondContact CB-OD1 3.42Å; P469-N471 PolarHBondContact O-N 3.12Å; P469-N471 VanDerWaalsContact O-N 3.12Å
472S92.1Very high91.6Very high15 Ų1545.6 Ų45.611%0.10523%0.234CC..BIsolated β-bridgetrans-66.4136.7-179.9-61.40000112.3F440 V468 P469 I474F440-S472 WeakPolarHBondContact O-CA 3.36Å; V468-S472 WeakPolarHBondContact CB-OG 3.48Å; V468-S472 WeakPolarHBondContact CG2-OG 3.4Å; P469-S472 WeakPolarHBondContact CD-OG 3.47Å; P469-S472 VanDerWaalsContact O-CB 3.29Å; P469-S472 WeakPolarHBondContact O-CB 3.19Å; P469-S472 PolarHBondContact O-N 3.02Å; P469-S472 VanDerWaalsContact O-N 3.08Å; P469-S472 PolarHBondContact O-OG 3.23Å; S472-I474 PolarHBondContact O-N 2.94Å
473S88.9Confident90.9Very high19 Ų1946 Ų4613%0.13324%0.242CC..  trans-60.3120.7178171.80000111.5F440 C475 D476 I477F440-S473 PolarHBondContact O-N 3.36Å; S473-C475 PolarHBondContact O-N 3.04Å; S473-C475 PolarHBondContact OG-N 2.91Å; S473-D476 VanDerWaalsContact CB-CG 3.49Å; S473-D476 WeakPolarHBondContact CB-OD1 3.46Å; S473-D476 PolarHBondContact O-N 2.64Å; S473-D476 PolarHBondContact OG-N 3.43Å; S473-D476 VanDerWaalsContact OG-N 3.15Å; S473-D476 PolarHBondContact OG-OD1 2.82Å; S473-I477 WeakPolarHBondContact O-CG1 3.44Å; S473-I477 PolarHBondContact O-N 2.87Å
474I89.5Confident90.1Very high114 Ų11448.7 Ų48.759%0.58528%0.277SS*.Hα-helixtrans-61.6-35.2171.9-64.3174.8000110.6S472 D476 I477 L478S472-I474 PolarHBondContact O-N 2.94Å; I474-D476 VanDerWaalsContact C-N 3.32Å; I474-D476 PolarHBondContact O-N 3.15Å; I474-I477 WeakPolarHBondContact O-CB 3.5Å; I474-I477 PolarHBondContact O-N 3.21Å; I474-L478 HydrophobicContact CG2-CD1 4.15Å; I474-L478 HydrophobicContact CG2-CG 4.33Å; I474-L478 WeakPolarHBondContact O-CG 3.26Å; I474-L478 PolarHBondContact O-N 3.04Å
475C89.5Confident89.2Confident93 Ų9351 Ų5163%0.62830%0.296SS*.Hα-helixtrans-60.7-42.8176.8-62.20000111.6S473 I477 L478 E479S473-C475 PolarHBondContact O-N 3.04Å; S473-C475 PolarHBondContact OG-N 2.91Å; C475-I477 VanDerWaalsContact C-N 3.31Å; C475-I477 PolarHBondContact O-N 3.31Å; C475-L478 PolarHBondContact O-N 3.38Å; C475-E479 WeakPolarHBondContact O-CB 3.35Å; C475-E479 PolarHBondContact O-N 3.41Å
476D90.5Very high88.3Confident21 Ų2155 Ų5511%0.11232%0.32CS..Hα-helixtrans-64.5-37.1177.2-6939.4000111.1S441 I442 L443 S473 I474 E479 L480S441-D476 VanDerWaalsContact C-OD2 3.32Å; S441-D476 WeakPolarHBondContact CA-OD2 3.3Å; S441-D476 VanDerWaalsContact CB-OD2 3.3Å; S441-D476 WeakPolarHBondContact CB-OD2 3.4Å; S441-D476 PolarHBondContact OG-OD2 2.89Å; I442-D476 HydrophobicContact CB-CB 3.95Å; I442-D476 HydrophobicContact CG1-CB 4.35Å; I442-D476 PolarHBondContact N-OD2 3.29Å; L443-D476 HydrophobicContact CD1-CB 4.35Å; L443-D476 HydrophobicContact CG-CB 3.92Å; L443-D476 PolarHBondContact N-OD2 3.19Å; S473-D476 VanDerWaalsContact CB-CG 3.49Å; S473-D476 WeakPolarHBondContact CB-OD1 3.46Å; S473-D476 PolarHBondContact O-N 2.64Å; S473-D476 PolarHBondContact OG-N 3.43Å; S473-D476 VanDerWaalsContact OG-N 3.15Å; S473-D476 PolarHBondContact OG-OD1 2.82Å; I474-D476 VanDerWaalsContact C-N 3.32Å; I474-D476 PolarHBondContact O-N 3.15Å; D476-E479 PolarHBondContact O-N 3.19Å; D476-L480 VanDerWaalsContact O-CB 3.26Å; D476-L480 WeakPolarHBondContact O-CB 3.3Å; D476-L480 PolarHBondContact O-N 2.64Å
477I86.4Confident87.8Confident3 Ų356.6 Ų56.62%0.01533%0.33CS..Hα-helixtrans-60.7-48.4175.1-61.3174.6000110.6I442 S473 I474 C475 E479 L480 A481 V487 V489 I503I442-I477 HydrophobicContact CD1-CB 4.4Å; I442-I477 HydrophobicContact CD1-CD1 4.02Å; I442-I477 HydrophobicContact CD1-CG1 3.21Å; S473-I477 WeakPolarHBondContact O-CG1 3.44Å; S473-I477 PolarHBondContact O-N 2.87Å; I474-I477 WeakPolarHBondContact O-CB 3.5Å; I474-I477 PolarHBondContact O-N 3.21Å; C475-I477 VanDerWaalsContact C-N 3.31Å; C475-I477 PolarHBondContact O-N 3.31Å; I477-E479 VanDerWaalsContact C-N 3.34Å; I477-L480 PolarHBondContact O-N 3.45Å; I477-A481 PolarHBondContact O-N 3.48Å; I477-V487 HydrophobicContact CG2-CG1 3.88Å; I477-V489 HydrophobicContact CD1-CG1 4.2Å; I477-V489 HydrophobicContact CD1-CG2 4.2Å; I477-V489 HydrophobicContact CG2-CG2 4.1Å; I477-I503 HydrophobicContact CB-CD1 4.41Å; I477-I503 HydrophobicContact CD1-CD1 3.64Å; I477-I503 HydrophobicContact CD1-CG1 3.99Å; I477-I503 HydrophobicContact CG1-CD1 3.56Å; I477-I503 HydrophobicContact CG1-CG1 4.36Å; I477-I503 HydrophobicContact CG2-CD1 4.08Å; I477-I503 HydrophobicContact CG2-CG1 4.39Å; I477-I503 HydrophobicContact CG2-CG2 3.78Å
478L86.7Confident87.4Confident107 Ų10758.1 Ų58.156%0.5634%0.337SS*.Hα-helixtrans-67-37.1-179.1-65.2175.7000111.7I474 C475 G482I474-L478 HydrophobicContact CG2-CD1 4.15Å; I474-L478 HydrophobicContact CG2-CG 4.33Å; I474-L478 WeakPolarHBondContact O-CG 3.26Å; I474-L478 PolarHBondContact O-N 3.04Å; C475-L478 PolarHBondContact O-N 3.38Å; L478-G482 PolarHBondContact O-N 2.84Å
479E88.9Confident87.1Confident136 Ų13661.4 Ų61.464%0.63636%0.357SS*.Hα-helixtrans-66.6-43.3174.7-173.4169.7168.700111.7L443 C475 D476 I477 A481 G482L443-E479 HydrophobicContact CD1-CB 4.27Å; L443-E479 VanDerWaalsContact CD1-CD 3.46Å; L443-E479 HydrophobicContact CD1-CG 4.09Å; L443-E479 WeakPolarHBondContact CD1-OE2 3.44Å; L443-E479 HydrophobicContact CD2-CG 4.43Å; C475-E479 WeakPolarHBondContact O-CB 3.35Å; C475-E479 PolarHBondContact O-N 3.41Å; D476-E479 PolarHBondContact O-N 3.19Å; I477-E479 VanDerWaalsContact C-N 3.34Å; E479-A481 VanDerWaalsContact C-N 3.32Å; E479-A481 PolarHBondContact O-N 3.42Å; E479-G482 PolarHBondContact O-N 3.49Å
480L87.9Confident87Confident19 Ų1963.1 Ų63.110%0.09937%0.365CS..Hα-helixtrans-60.7-41.1177-169.767.9000111.9I442 L443 D446 F454 Y466 D476 I477 G482 F505I442-L480 HydrophobicContact CG2-CD2 4.04Å; L443-L480 HydrophobicContact CD2-CB 4.33Å; L443-L480 HydrophobicContact CD2-CD1 4.29Å; D446-L480 HydrophobicContact CB-CD1 4.35Å; F454-L480 HydrophobicContact CB-CD1 3.61Å; F454-L480 HydrophobicContact CB-CD2 4.16Å; F454-L480 HydrophobicContact CB-CG 4Å; F454-L480 HydrophobicContact CD1-CD1 4.11Å; F454-L480 HydrophobicContact CD1-CG 4.04Å; F454-L480 HydrophobicContact CD2-CD2 4.01Å; F454-L480 HydrophobicContact CD2-CG 4.08Å; F454-L480 WeakPolarHBondContact CE1-O 3.37Å; F454-L480 HydrophobicContact CG-CD1 3.88Å; F454-L480 HydrophobicContact CG-CD2 4.09Å; F454-L480 HydrophobicContact CG-CG 3.77Å; Y466-L480 HydrophobicContact CD2-CD2 3.89Å; Y466-L480 HydrophobicContact CE2-CD2 3.94Å; D476-L480 VanDerWaalsContact O-CB 3.26Å; D476-L480 WeakPolarHBondContact O-CB 3.3Å; D476-L480 PolarHBondContact O-N 2.64Å; I477-L480 PolarHBondContact O-N 3.45Å; L480-G482 VanDerWaalsContact C-N 3.31Å; L480-G482 PolarHBondContact O-N 3.23Å; L480-F505 HydrophobicContact CD2-CZ 4.11Å
481A86.2Confident87Confident18 Ų1864 Ų6415%0.14937%0.374CS..Hα-helixtrans-65.1-33.6178.900000113.4I477 E479 A485 V487 F505I477-A481 PolarHBondContact O-N 3.48Å; E479-A481 VanDerWaalsContact C-N 3.32Å; E479-A481 PolarHBondContact O-N 3.42Å; A481-A485 HydrophobicContact CB-CB 3.93Å; A481-A485 VanDerWaalsContact O-CB 3.23Å; A481-A485 WeakPolarHBondContact O-CB 3.08Å; A481-V487 HydrophobicContact CB-CG2 3.31Å; A481-F505 HydrophobicContact CB-CD1 4.14Å; A481-F505 HydrophobicContact CB-CE1 3.76Å
482G81.6Confident86.9Confident37 Ų3763.1 Ų63.138%0.38137%0.369SS..  trans75.9170.6-171.700000113.8L478 E479 L480 G484L478-G482 PolarHBondContact O-N 2.84Å; E479-G482 PolarHBondContact O-N 3.49Å; L480-G482 VanDerWaalsContact C-N 3.31Å; L480-G482 PolarHBondContact O-N 3.23Å; G482-G484 PolarHBondContact O-N 3.01Å
483K80.5Confident86.6Confident222 Ų22267.7 Ų67.797%0.96539%0.387SS*.THydrogen-bonded Turntrans-66131-176-68.8-176.8179.3179.60111.7A485K483-A485 VanDerWaalsContact C-N 3.3Å; K483-A485 PolarHBondContact O-N 3.44Å
484G76.8Confident86.2Confident88 Ų8868.6 Ų68.691%0.90739%0.39SS*.THydrogen-bonded Turntrans81.41.7174.100000115.1G482G482-G484 PolarHBondContact O-N 3.01Å
485A79.6Confident85.7Confident50 Ų5069.9 Ų69.941%0.41340%0.398SS..  trans-74.6143.8174.900000111.6A481 K483A481-A485 HydrophobicContact CB-CB 3.93Å; A481-A485 VanDerWaalsContact O-CB 3.23Å; A481-A485 WeakPolarHBondContact O-CB 3.08Å; K483-A485 VanDerWaalsContact C-N 3.3Å; K483-A485 PolarHBondContact O-N 3.44Å
486V79.8Confident85.3Confident83 Ų8369 Ų6950%0.50340%0.404SS..  trans-86.1127.3168.7-1800000108.2A509V486-A509 HydrophobicContact CG1-CB 4.09Å
487V86.4Confident84.9Confident35 Ų3574.7 Ų74.721%0.21243%0.428CS..EExtended strand (participates in β ladder)trans-130133.5178-1740000108.8I477 A481 V489 I503 Y504 F505I477-V487 HydrophobicContact CG2-CG1 3.88Å; A481-V487 HydrophobicContact CB-CG2 3.31Å; V487-V489 HydrophobicContact CG1-CG2 4.02Å; V487-I503 HydrophobicContact CG1-CG2 3.39Å; V487-Y504 WeakPolarHBondContact CA-O 3.44Å; V487-F505 HydrophobicContact CG1-CD1 4.47Å; V487-F505 HydrophobicContact CG1-CE1 4.23Å; V487-F505 HydrophobicContact CG2-CD1 3.93Å; V487-F505 HydrophobicContact CG2-CE1 3.98Å
488E90.1Very high85Confident34 Ų3476.3 Ų76.316%0.15944%0.437CS..EExtended strand (participates in β ladder)trans-109.8127.7167.1169.5-170.3173.700108R351 I503 Y504 A509 K510R351-E488 IonicContact CZ-OE1 3.76Å; R351-E488 IonicContact NE-OE1 3.15Å; R351-E488 VanDerWaalsContact NH2-CD 3.28Å; R351-E488 IonicContact NH2-OE1 3.27Å; R351-E488 PolarHBondContact NH2-OE1 3.21Å; R351-E488 IonicContact NH2-OE2 3.16Å; R351-E488 PolarHBondContact NH2-OE2 2.88Å; E488-I503 CarbonylContact O-C 3.57Å; E488-I503 WeakPolarHBondContact O-CA 3.2Å; E488-Y504 HydrophobicContact CB-CD2 4.36Å; E488-Y504 HydrophobicContact CG-CD2 4.04Å; E488-Y504 PolarHBondContact N-O 2.71Å; E488-Y504 PolarHBondContact O-N 2.96Å; E488-A509 HydrophobicContact CB-CB 3.93Å; E488-A509 WeakPolarHBondContact OE2-CA 3.38Å; E488-K510 WeakPolarHBondContact OE2-CA 3.35Å; E488-K510 PolarHBondContact OE2-N 3.43Å
489V89.9Confident85.1Confident69 Ų6974.1 Ų74.142%0.41842%0.423SS..EExtended strand (participates in β ladder)trans-112.5115.9177.8-176.60000108.1I477 V487 V501 I503I477-V489 HydrophobicContact CD1-CG1 4.2Å; I477-V489 HydrophobicContact CD1-CG2 4.2Å; I477-V489 HydrophobicContact CG2-CG2 4.1Å; V487-V489 HydrophobicContact CG1-CG2 4.02Å; V489-V501 HydrophobicContact CG1-CG1 3.54Å; V489-I503 HydrophobicContact CG2-CG2 4.44Å
490E92.7Very high85.4Confident36 Ų3668 Ų6817%0.16840%0.395CS..EExtended strand (participates in β ladder)trans-109.8131.7-177.6-175.3175.169.200110.4H347 V501 T502 Y504H347-E490 IonicContact CD2-OE1 2.58Å; H347-E490 PolarHBondContact CD2-OE1 3.44Å; H347-E490 VanDerWaalsContact CD2-OE1 3.27Å; H347-E490 IonicContact CD2-OE2 3.62Å; H347-E490 IonicContact CE1-OE2 3.39Å; H347-E490 IonicContact NE2-OE1 3.3Å; H347-E490 PolarHBondContact NE2-OE1 2.79Å; H347-E490 IonicContact NE2-OE2 2.77Å; H347-E490 PolarHBondContact NE2-OE2 2.7Å; E490-V501 CarbonylContact O-C 3.35Å; E490-V501 VanDerWaalsContact O-CA 3.28Å; E490-V501 WeakPolarHBondContact O-CA 3.14Å; E490-T502 PolarHBondContact N-O 3.44Å; E490-T502 PolarHBondContact O-N 3.27Å; E490-Y504 HydrophobicContact CB-CE2 3.82Å; E490-Y504 WeakPolarHBondContact OE1-CE2 3.48Å; E490-Y504 PolarHBondContact OE1-OH 3.27Å
491Q91.5Very high85.6Confident116 Ų11667.5 Ų67.554%0.54239%0.393SS..EExtended strand (participates in β ladder)trans-99.2121177.2-76.8-175.3-27.500110.4F493 L498 V501Q491-F493 HydrophobicContact CB-CD2 4.28Å; Q491-F493 HydrophobicContact CB-CE2 3.71Å; Q491-L498 HydrophobicContact CB-CD1 3.63Å; Q491-L498 HydrophobicContact CG-CD1 4.01Å; Q491-V501 HydrophobicContact CG-CG2 4.17Å
492N89.1Confident86.1Confident10 Ų1066.7 Ų66.75%0.05339%0.385CS..EExtended strand (participates in β ladder)trans-94.5110.5-177.3-60.8-62.6000111.3I344 K499 T500 T502I344-N492 HydrophobicContact CD1-CB 3.79Å; I344-N492 HydrophobicContact CG1-CB 4.08Å; I344-N492 HydrophobicContact CG2-CB 4.13Å; N492-K499 PolarHBondContact O-N 3.5Å; N492-T500 WeakPolarHBondContact CB-OG1 3.35Å; N492-T500 PolarHBondContact N-O 3.27Å; N492-T500 PolarHBondContact ND2-OG1 2.97Å; N492-T500 VanDerWaalsContact ND2-OG1 3.1Å; N492-T502 PolarHBondContact ND2-OG1 2.9Å
493F85.8Confident86.7Confident111 Ų11164.9 Ų64.949%0.48737%0.367SS..EExtended strand (participates in β ladder)trans-98.4135.1176.2-71.4-99.8000111.3Q491 K497 L498Q491-F493 HydrophobicContact CB-CD2 4.28Å; Q491-F493 HydrophobicContact CB-CE2 3.71Å; F493-K497 WeakPolarHBondContact CA-O 3.17Å; F493-L498 HydrophobicContact CD1-CB 4.22Å; F493-L498 HydrophobicContact CD2-CD1 4.24Å; F493-L498 HydrophobicContact CE1-CB 3.84Å; F493-L498 HydrophobicContact CE2-CD1 3.95Å; F493-L498 HydrophobicContact CZ-CB 4.09Å; F493-L498 HydrophobicContact CZ-CD1 4.11Å
494L80.5Confident87.3Confident39 Ų3954.3 Ų54.320%0.20432%0.321CS..EExtended strand (participates in β ladder)trans-129.5129.8165.4-69177.2000109.1P341 A343 I344 G496 K497 K499P341-L494 HydrophobicContact CB-CD1 3.54Å; P341-L494 HydrophobicContact CG-CD1 3.85Å; A343-L494 HydrophobicContact CB-CD2 4.21Å; I344-L494 HydrophobicContact CD1-CD1 3.67Å; I344-L494 HydrophobicContact CD1-CG 3.91Å; I344-L494 HydrophobicContact CG1-CD1 4.02Å; I344-L494 HydrophobicContact CG1-CD2 4.3Å; I344-L494 HydrophobicContact CG1-CG 4.11Å; L494-G496 VanDerWaalsContact C-N 3.27Å; L494-G496 PolarHBondContact O-N 3.3Å; L494-K497 PolarHBondContact N-O 2.56Å; L494-K497 PolarHBondContact O-N 3.44Å; L494-K499 HydrophobicContact CB-CG 3.84Å; L494-K499 HydrophobicContact CD1-CG 4.15Å; L494-K499 HydrophobicContact CG-CG 4.12Å
495N79.1Confident88Confident141 Ų14150.4 Ų50.475%0.75428%0.279SS*.THydrogen-bonded Turntrans51.247-177.6-56.8-19.4000112K497N495-K497 PolarHBondContact O-N 3.25Å; N495-K497 VanDerWaalsContact O-N 3.13Å
496G80.5Confident88.5Confident73 Ų7349.1 Ų49.175%0.75327%0.271SS*.THydrogen-bonded Turntrans69.33.4-179.400000115.4L494L494-G496 VanDerWaalsContact C-N 3.27Å; L494-G496 PolarHBondContact O-N 3.3Å
497K83.3Confident88.9Confident141 Ų14152.6 Ų52.661%0.61329%0.287SS*.EExtended strand (participates in β ladder)trans-111.3131.3-178.9-66.5-176.7-179.5179.70111F493 L494 N495 K499F493-K497 WeakPolarHBondContact CA-O 3.17Å; L494-K497 PolarHBondContact N-O 2.56Å; L494-K497 PolarHBondContact O-N 3.44Å; N495-K497 PolarHBondContact O-N 3.25Å; N495-K497 VanDerWaalsContact O-N 3.13Å; K497-K499 PolarHBondContact O-N 3.04Å
498L89.1Confident89.1Confident38 Ų3851.9 Ų51.920%0.19928%0.282CS..EExtended strand (participates in β ladder)trans-62.7120.9169.6-176.262000109.7R470 Q491 F493R470-L498 HydrophobicContact CB-CD2 3.86Å; R470-L498 HydrophobicContact CB-CG 3.71Å; R470-L498 WeakPolarHBondContact CD-O 3.41Å; R470-L498 PolarHBondContact NH1-O 2.79Å; Q491-L498 HydrophobicContact CB-CD1 3.63Å; Q491-L498 HydrophobicContact CG-CD1 4.01Å; F493-L498 HydrophobicContact CD1-CB 4.22Å; F493-L498 HydrophobicContact CD2-CD1 4.24Å; F493-L498 HydrophobicContact CE1-CB 3.84Å; F493-L498 HydrophobicContact CE2-CD1 3.95Å; F493-L498 HydrophobicContact CZ-CB 4.09Å; F493-L498 HydrophobicContact CZ-CD1 4.11Å
499K88.1Confident88.9Confident61 Ų6150.9 Ų50.927%0.26528%0.279SS..EExtended strand (participates in β ladder)trans-100.4-52.2-179-65.6-62.8-173.41630111.4I344 R470 N492 L494 K497I344-K499 HydrophobicContact CD1-CB 4.09Å; R470-K499 WeakPolarHBondContact CB-O 3.28Å; N492-K499 PolarHBondContact O-N 3.5Å; L494-K499 HydrophobicContact CB-CG 3.84Å; L494-K499 HydrophobicContact CD1-CG 4.15Å; L494-K499 HydrophobicContact CG-CG 4.12Å; K497-K499 PolarHBondContact O-N 3.04Å
500T93.9Very high88.4Confident8 Ų854 Ų545%0.04929%0.287CS..EExtended strand (participates in β ladder)trans-150.5170.5-17262.90000110.5W429 F467 N492W429-T500 HydrophobicContact CH2-CG2 3.72Å; W429-T500 HydrophobicContact CZ3-CG2 4.32Å; F467-T500 HydrophobicContact CE1-CG2 3.82Å; F467-T500 HydrophobicContact CE2-CG2 4.16Å; F467-T500 WeakPolarHBondContact CE2-OG1 3.38Å; F467-T500 VanDerWaalsContact CZ-CB 3.5Å; F467-T500 HydrophobicContact CZ-CG2 3.4Å; F467-T500 VanDerWaalsContact CZ-CG2 3.4Å; F467-T500 WeakPolarHBondContact CZ-OG1 3.24Å; N492-T500 WeakPolarHBondContact CB-OG1 3.35Å; N492-T500 PolarHBondContact N-O 3.27Å; N492-T500 PolarHBondContact ND2-OG1 2.97Å; N492-T500 VanDerWaalsContact ND2-OG1 3.1Å
501V93Very high86.5Confident8 Ų854.5 Ų54.55%0.04830%0.302CS..EExtended strand (participates in β ladder)trans-120.8139.8171.5166.70000108.3V468 V489 E490 Q491 I503V468-V501 HydrophobicContact CG2-CB 3.8Å; V468-V501 HydrophobicContact CG2-CG1 3.92Å; V468-V501 PolarHBondContact N-O 2.81Å; V468-V501 PolarHBondContact O-N 2.88Å; V489-V501 HydrophobicContact CG1-CG1 3.54Å; E490-V501 CarbonylContact O-C 3.35Å; E490-V501 VanDerWaalsContact O-CA 3.28Å; E490-V501 WeakPolarHBondContact O-CA 3.14Å; Q491-V501 HydrophobicContact CG-CG2 4.17Å; V501-I503 HydrophobicContact CG1-CG1 4.08Å
502T96Very high84.1Confident0 Ų059.3 Ų59.30%032%0.317CS..EExtended strand (participates in β ladder)trans-116.5130173-55.90000109I348 V465 F467 E490 N492 Y504I348-T502 HydrophobicContact CD1-CG2 4.24Å; I348-T502 HydrophobicContact CG1-CG2 4.23Å; V465-T502 HydrophobicContact CG1-CG2 3.48Å; V465-T502 VanDerWaalsContact CG1-CG2 3.48Å; F467-T502 WeakPolarHBondContact CD2-OG1 3.49Å; E490-T502 PolarHBondContact N-O 3.44Å; E490-T502 PolarHBondContact O-N 3.27Å; N492-T502 PolarHBondContact ND2-OG1 2.9Å; T502-Y504 HydrophobicContact CG2-CD2 4.3Å; T502-Y504 HydrophobicContact CG2-CE1 4.03Å; T502-Y504 HydrophobicContact CG2-CE2 3.63Å; T502-Y504 VanDerWaalsContact CG2-CZ 3.47Å
503I94.6Very high81.5Confident0 Ų066.3 Ų66.30%035%0.353CS..EExtended strand (participates in β ladder)trans-114.9126-176.8-49.7159.7000108.2I442 V465 Y466 V468 I477 V487 E488 V489 V501 F505I442-I503 HydrophobicContact CD1-CD1 3.85Å; V465-I503 CarbonylContact C-O 3.56Å; V465-I503 VanDerWaalsContact CA-O 3.3Å; V465-I503 WeakPolarHBondContact CA-O 3.39Å; Y466-I503 PolarHBondContact N-O 2.66Å; Y466-I503 PolarHBondContact O-N 3.3Å; V468-I503 HydrophobicContact CG1-CD1 3.97Å; V468-I503 HydrophobicContact CG2-CD1 3.81Å; V468-I503 HydrophobicContact CG2-CG1 4.29Å; I477-I503 HydrophobicContact CB-CD1 4.41Å; I477-I503 HydrophobicContact CD1-CD1 3.64Å; I477-I503 HydrophobicContact CD1-CG1 3.99Å; I477-I503 HydrophobicContact CG1-CD1 3.56Å; I477-I503 HydrophobicContact CG1-CG1 4.36Å; I477-I503 HydrophobicContact CG2-CD1 4.08Å; I477-I503 HydrophobicContact CG2-CG1 4.39Å; I477-I503 HydrophobicContact CG2-CG2 3.78Å; V487-I503 HydrophobicContact CG1-CG2 3.39Å; E488-I503 CarbonylContact O-C 3.57Å; E488-I503 WeakPolarHBondContact O-CA 3.2Å; V489-I503 HydrophobicContact CG2-CG2 4.44Å; V501-I503 HydrophobicContact CG1-CG1 4.08Å; I503-F505 HydrophobicContact CB-CE2 3.79Å; I503-F505 HydrophobicContact CB-CZ 4.21Å; I503-F505 HydrophobicContact CG2-CD2 4.01Å; I503-F505 HydrophobicContact CG2-CE1 4.11Å; I503-F505 HydrophobicContact CG2-CE2 3.31Å; I503-F505 HydrophobicContact CG2-CZ 3.37Å
504Y93.8Very high78.9Confident0 Ų068.6 Ų68.60%037%0.37CS..EExtended strand (participates in β ladder)trans-109.3128.6178.9-55.7-94.5000109.2R351 V465 V487 E488 E490 T502 I508 A509R351-Y504 HydrophobicContact CB-CE1 3.74Å; R351-Y504 HydrophobicContact CG-CE1 4.34Å; V465-Y504 HydrophobicContact CB-CD1 4.31Å; V465-Y504 HydrophobicContact CG1-CD1 3.86Å; V465-Y504 HydrophobicContact CG1-CE1 3.72Å; V465-Y504 HydrophobicContact CG2-CD1 3.56Å; V465-Y504 HydrophobicContact CG2-CE1 4Å; V487-Y504 WeakPolarHBondContact CA-O 3.44Å; E488-Y504 HydrophobicContact CB-CD2 4.36Å; E488-Y504 HydrophobicContact CG-CD2 4.04Å; E488-Y504 PolarHBondContact N-O 2.71Å; E488-Y504 PolarHBondContact O-N 2.96Å; E490-Y504 HydrophobicContact CB-CE2 3.82Å; E490-Y504 WeakPolarHBondContact OE1-CE2 3.48Å; E490-Y504 PolarHBondContact OE1-OH 3.27Å; T502-Y504 HydrophobicContact CG2-CD2 4.3Å; T502-Y504 HydrophobicContact CG2-CE1 4.03Å; T502-Y504 HydrophobicContact CG2-CE2 3.63Å; T502-Y504 VanDerWaalsContact CG2-CZ 3.47Å; Y504-I508 HydrophobicContact CD1-CD1 4.41Å; Y504-I508 HydrophobicContact CD1-CG1 4.27Å; Y504-A509 WeakPolarHBondContact O-CB 3.41Å
505F90.6Very high76.2Confident5 Ų577.2 Ų77.22%0.02240%0.4CS..EExtended strand (participates in β ladder)trans-119.1147.7179.6-59.2-95.5000110.5F454 R462 N463 I464 L480 A481 V487 I503 I508F454-F505 HydrophobicContact CD2-CD2 4.48Å; F454-F505 HydrophobicContact CD2-CE2 4.31Å; F454-F505 HydrophobicContact CD2-CZ 4.43Å; F454-F505 HydrophobicContact CE2-CB 4.19Å; F454-F505 AromaticContact CE2-CD1 3.67Å; F454-F505 HydrophobicContact CE2-CD1 3.67Å; F454-F505 AromaticContact CE2-CD2 3.62Å; F454-F505 HydrophobicContact CE2-CD2 3.62Å; F454-F505 AromaticContact CE2-CE1 3.81Å; F454-F505 HydrophobicContact CE2-CE1 3.81Å; F454-F505 AromaticContact CE2-CE2 3.77Å; F454-F505 HydrophobicContact CE2-CE2 3.77Å; F454-F505 AromaticContact CE2-CG 3.56Å; F454-F505 HydrophobicContact CE2-CG 3.56Å; F454-F505 AromaticContact CE2-CZ 3.85Å; F454-F505 HydrophobicContact CE2-CZ 3.85Å; F454-F505 HydrophobicContact CZ-CB 4.37Å; F454-F505 AromaticContact CZ-CD1 3.69Å; F454-F505 HydrophobicContact CZ-CD1 3.69Å; F454-F505 HydrophobicContact CZ-CD2 4.44Å; F454-F505 AromaticContact CZ-CE1 3.98Å; F454-F505 HydrophobicContact CZ-CE1 3.98Å; F454-F505 AromaticContact CZ-CG 3.94Å; F454-F505 HydrophobicContact CZ-CG 3.94Å; F454-F505 HydrophobicContact CZ-CZ 4.46Å; R462-F505 CarbonylContact O-C 3.23Å; N463-F505 WeakPolarHBondContact CA-O 3.37Å; I464-F505 HydrophobicContact CB-CB 4.26Å; I464-F505 HydrophobicContact CB-CD2 4.26Å; I464-F505 HydrophobicContact CG2-CD2 4.35Å; I464-F505 PolarHBondContact N-O 3.15Å; I464-F505 WeakPolarHBondContact O-CD2 3.37Å; I464-F505 PolarHBondContact O-N 3.24Å; L480-F505 HydrophobicContact CD2-CZ 4.11Å; A481-F505 HydrophobicContact CB-CD1 4.14Å; A481-F505 HydrophobicContact CB-CE1 3.76Å; V487-F505 HydrophobicContact CG1-CD1 4.47Å; V487-F505 HydrophobicContact CG1-CE1 4.23Å; V487-F505 HydrophobicContact CG2-CD1 3.93Å; V487-F505 HydrophobicContact CG2-CE1 3.98Å; I503-F505 HydrophobicContact CB-CE2 3.79Å; I503-F505 HydrophobicContact CB-CZ 4.21Å; I503-F505 HydrophobicContact CG2-CD2 4.01Å; I503-F505 HydrophobicContact CG2-CE1 4.11Å; I503-F505 HydrophobicContact CG2-CE2 3.31Å; I503-F505 HydrophobicContact CG2-CZ 3.37Å; F505-I508 VanDerWaalsContact O-CG2 3.23Å; F505-I508 WeakPolarHBondContact O-CG2 3.46Å
506G89.9Confident73.7Confident24 Ų2477.3 Ų77.325%0.24740%0.4CS..G310 helixtrans81.2-150.8179.500000112.6I508 A509G506-I508 VanDerWaalsContact C-N 3.26Å; G506-I508 PolarHBondContact O-N 3.47Å; G506-A509 WeakPolarHBondContact O-CB 3.4Å; G506-A509 PolarHBondContact O-N 3.37Å
507N89.7Confident71.2Confident155 Ų15583.1 Ų83.183%0.82941%0.405SS*.G310 helixtrans-76.4-13.6-171.9-65.5-21.9000113.4N463 A509N463-N507 PolarHBondContact OD1-N 3.43Å; N507-A509 VanDerWaalsContact C-N 3.27Å
508I89Confident68.6Low21 Ų2184.4 Ų84.411%0.10841%0.413CS..G310 helixtrans-73.8-21.8174-168.6169000112.3R351 C352 V422 N463 V465 Y504 F505 G506 K510R351-I508 PolarHBondContact NH2-O 2.97Å; R351-I508 WeakPolarHBondContact O-CD1 3.29Å; C352-I508 HydrophobicContact CB-CD1 4.26Å; V422-I508 HydrophobicContact CG1-CD1 4.13Å; V422-I508 HydrophobicContact CG2-CD1 4.05Å; N463-I508 HydrophobicContact CB-CB 4.35Å; N463-I508 HydrophobicContact CB-CG2 4.09Å; V465-I508 HydrophobicContact CG2-CD1 3.74Å; V465-I508 HydrophobicContact CG2-CG2 4.27Å; Y504-I508 HydrophobicContact CD1-CD1 4.41Å; Y504-I508 HydrophobicContact CD1-CG1 4.27Å; F505-I508 VanDerWaalsContact O-CG2 3.23Å; F505-I508 WeakPolarHBondContact O-CG2 3.46Å; G506-I508 VanDerWaalsContact C-N 3.26Å; G506-I508 PolarHBondContact O-N 3.47Å; I508-K510 PolarHBondContact O-N 3.41Å
509A87.5Confident65.8Low12 Ų1290.1 Ų90.110%0.09945%0.449CS..  trans-67.4111.6171.100000109.7V486 E488 Y504 G506 N507 G511V486-A509 HydrophobicContact CG1-CB 4.09Å; E488-A509 HydrophobicContact CB-CB 3.93Å; E488-A509 WeakPolarHBondContact OE2-CA 3.38Å; Y504-A509 WeakPolarHBondContact O-CB 3.41Å; G506-A509 WeakPolarHBondContact O-CB 3.4Å; G506-A509 PolarHBondContact O-N 3.37Å; N507-A509 VanDerWaalsContact C-N 3.27Å; A509-G511 PolarHBondContact O-N 3.11Å
510K78.2Confident63.1Low134 Ų13489.8 Ų89.858%0.58346%0.458SS*.  trans-77.879166-69.1-179-179.1172.30106.9E488 I508 Y512E488-K510 WeakPolarHBondContact OE2-CA 3.35Å; E488-K510 PolarHBondContact OE2-N 3.43Å; I508-K510 PolarHBondContact O-N 3.41Å; K510-Y512 PolarHBondContact O-N 2.91Å
511G52.6Low60Low48 Ų4898.8 Ų98.850%0.49550%0.496SS..  trans-57.9105.8176.500000110.6A509 L513A509-G511 PolarHBondContact O-N 3.11Å; G511-L513 PolarHBondContact O-N 2.89Å
512Y42.6Very low57.1Low217 Ų217104.8 Ų104.885%0.85153%0.533SS*.  trans-74.9107.4141.2-64-77.5000104.9K510 L514K510-Y512 PolarHBondContact O-N 2.91Å; Y512-L514 VanDerWaalsContact C-N 3.34Å; Y512-L514 PolarHBondContact O-N 2.86Å
513L33.9Very low54Low156 Ų156114.7 Ų114.782%0.81758%0.579SS**  trans-53.6111.6155.1-83.5158.7000105G511 R515G511-L513 PolarHBondContact O-N 2.89Å; L513-R515 HydrophobicContact CB-CG 4.49Å; L513-R515 PolarHBondContact O-N 3.17Å
514L30.3Very low51.3Low159 Ų159122.6 Ų122.683%0.83265%0.645SS**  trans-58.388.4152.1-73169.1000104Y512 N516Y512-L514 VanDerWaalsContact C-N 3.34Å; Y512-L514 PolarHBondContact O-N 2.86Å; L514-N516 PolarHBondContact O-N 3.03Å
515R23.5Very low49.2Very low220 Ų220128.8 Ų128.883%0.8368%0.677SS**  trans-60.7102.2164.3-73.9-171.4-169.5-172.84.2102.6L513 K517L513-R515 HydrophobicContact CB-CG 4.49Å; L513-R515 PolarHBondContact O-N 3.17Å; R515-K517 VanDerWaalsContact C-N 3.25Å; R515-K517 PolarHBondContact O-N 3.13Å
516N27.2Very low47Very low143 Ų143135.3 Ų135.377%0.76571%0.712SS**  trans-45.9106.2157.4-79.7-18.4000104.3L514 Q518L514-N516 PolarHBondContact O-N 3.03Å; N516-Q518 PolarHBondContact O-N 3.49Å
517K28.4Very low44.6Very low196 Ų196141.4 Ų141.485%0.85274%0.738SS**  trans-52.1117.3166.8-85.9-175.8176.5177.90103.5R515 V519R515-K517 VanDerWaalsContact C-N 3.25Å; R515-K517 PolarHBondContact O-N 3.13Å; K517-V519 PolarHBondContact O-N 3.46Å
518Q28Very low42Very low168 Ų168140.6 Ų140.679%0.78573%0.732SS**  trans-45.3124.2-166-66.9172.9-46.400110.1N516 A520N516-Q518 PolarHBondContact O-N 3.49Å; Q518-A520 HydrophobicContact CB-CB 3.7Å; Q518-A520 HydrophobicContact CG-CB 4.5Å; Q518-A520 PolarHBondContact O-N 3.28Å
519V30.8Very low39Very low157 Ų157148.1 Ų148.195%0.95277%0.771SS**  trans-6880.5143.2-178.30000104.8K517K517-V519 PolarHBondContact O-N 3.46Å
520A31Very low35.8Very low54 Ų54157.2 Ų157.245%0.44682%0.816SS.*  trans-135.7126.9165.800000105.8Q518Q518-A520 HydrophobicContact CB-CB 3.7Å; Q518-A520 HydrophobicContact CG-CB 4.5Å; Q518-A520 PolarHBondContact O-N 3.28Å
521K28.4Very low32.8Very low197 Ų197158.9 Ų158.986%0.85783%0.833SS**  trans89.8102.1-167.8-54.6172178.6-175.80110.3
522T33.6Very low31.2Very low135 Ų135167.4 Ų167.483%0.82886%0.859SS**  -143.599.355.526.10000112.6
523E30Very low30.3Very low207 Ų207163.3 Ų163.397%0.96786%0.859SS**  trans-91.7106.7137.2-76.6-177.916400105.6
524A38.3Very low30Very low167 Ų167163.9 Ų163.9100%1.3886%0.863SS**  trans-147.5016200000107.4

Retrieved 524 of 524 residues in 160.1 ms (Link to these results)

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