A0A087Y110_POEFO Loading...

iodotyrosine deiodinase

AlphaFold DB , UniProt , Accession A0A087Y110, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 296 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
1M45.4Very low58.9Low246 Ų246125.5 Ų125.5100%1.21272%0.723SS**  0130.20-60.9-153.8-77.800108
2A52.4Low59.9Low89 Ų89119.4 Ų119.474%0.73670%0.698SS**  cis-169.289.3-14.700000103.1
3L49.6Very low60.9Low159 Ų159119.2 Ų119.283%0.83269%0.692SS**SBendtrans-146.26.4176-102.3148.9000113.5
4L53.9Low61.9Low175 Ų175116.8 Ų116.892%0.91668%0.679SS**SBendtrans-102.611.8179.4-91155.1000114.2
5S59.8Low62.8Low98 Ų98116.5 Ų116.569%0.68567%0.673SS**SBendtrans-117.813.4-176.884.10000115.6
6V57.9Low63.5Low106 Ų106115 Ų11564%0.64267%0.67SS**SBendtrans-115.7-15.1177.1-168.60000112.5
7L57.6Low64.2Low130 Ų130116.4 Ų116.468%0.68167%0.67SS**Hα-helixtrans-84.9-14.4-179.5-103.2107.9000115L11L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 PolarHBondContact O-N 3.42Å
8T64.6Low64.8Low101 Ų101114.3 Ų114.362%0.6266%0.66SS**Hα-helixtrans-76.8-39.8-177.220.80000115.8A12T8-A12 PolarHBondContact O-N 3.02Å
9P65.3Low65.1Low79 Ų79111.2 Ų111.251%0.51365%0.649SS.*Hα-helixtrans-75.9-29.4176.926.8-31.3000113L13P9-L13 PolarHBondContact O-N 3.11Å; P9-L13 VanDerWaalsContact O-N 3.1Å
10V70.8Confident65.4Low90 Ų90107.3 Ų107.355%0.54563%0.633SS.*Hα-helixtrans-70.9-40.4178.5-179.40000111.1A12 L13 V14V10-A12 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 3Å; V10-L13 PolarHBondContact O-N 2.94Å; V10-V14 WeakPolarHBondContact O-CG2 3.39Å; V10-V14 PolarHBondContact O-N 3.26Å
11L70.1Confident65.6Low108 Ų108109 Ų10957%0.56563%0.633SS**Hα-helixtrans-66.2-37176.9-145.998.6000112.1L7 V14 L15L7-L11 WeakPolarHBondContact O-CB 3.49Å; L7-L11 PolarHBondContact O-N 3.42Å; L11-V14 PolarHBondContact O-N 3.33Å; L11-L15 HydrophobicContact CD2-CD1 4.44Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 PolarHBondContact O-N 3.28Å
12A70.8Confident66.4Low52 Ų52102.8 Ų102.843%0.4361%0.605SS.*Hα-helixtrans-67.8-39.4175.900000112.3T8 V10 L15 C16T8-A12 PolarHBondContact O-N 3.02Å; V10-A12 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 3Å; A12-L15 PolarHBondContact O-N 3.26Å; A12-C16 WeakPolarHBondContact O-CB 3.38Å; A12-C16 PolarHBondContact O-N 2.82Å; A12-C16 PolarHBondContact O-SG 3.36Å; A12-C16 VanDerWaalsContact O-SG 3.36Å
13L73.9Confident66.6Low117 Ų117106.5 Ų106.561%0.61360%0.604SS**Hα-helixtrans-64.9-41.1175-113158.6000112.2P9 V10 C16 M17P9-L13 PolarHBondContact O-N 3.11Å; P9-L13 VanDerWaalsContact O-N 3.1Å; V10-L13 PolarHBondContact O-N 2.94Å; L13-C16 PolarHBondContact O-N 3.46Å; L13-M17 WeakPolarHBondContact O-CB 3.39Å; L13-M17 WeakPolarHBondContact O-CG 3.39Å; L13-M17 PolarHBondContact O-N 2.93Å
14V75.1Confident67Low85 Ų85105.5 Ų105.552%0.51560%0.599SS.*Hα-helixtrans-65.3-42.3176173.10000111.1V10 L11 M17 V18V10-V14 WeakPolarHBondContact O-CG2 3.39Å; V10-V14 PolarHBondContact O-N 3.26Å; L11-V14 PolarHBondContact O-N 3.33Å; V14-M17 PolarHBondContact O-N 3.35Å; V14-V18 HydrophobicContact CG1-CG2 4.47Å; V14-V18 VanDerWaalsContact O-CG2 3.29Å; V14-V18 WeakPolarHBondContact O-CG2 3.5Å; V14-V18 PolarHBondContact O-N 3.02Å
15L74.1Confident66.7Low113 Ų113104.9 Ų104.959%0.59259%0.589SS**Hα-helixtrans-64.4-40.5176-85.2160.8000112.8L11 A12 V18 A19L11-L15 HydrophobicContact CD2-CD1 4.44Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 PolarHBondContact O-N 3.28Å; A12-L15 PolarHBondContact O-N 3.26Å; L15-V18 PolarHBondContact O-N 3.22Å; L15-A19 WeakPolarHBondContact O-CB 3.24Å; L15-A19 PolarHBondContact O-N 3.04Å
16C74.1Confident66.1Low92 Ų92104.2 Ų104.262%0.62259%0.585SS**Hα-helixtrans-66.8-37.5174.8-72.20000112.6A12 L13 G20A12-C16 WeakPolarHBondContact O-CB 3.38Å; A12-C16 PolarHBondContact O-N 2.82Å; A12-C16 PolarHBondContact O-SG 3.36Å; A12-C16 VanDerWaalsContact O-SG 3.36Å; L13-C16 PolarHBondContact O-N 3.46Å; C16-G20 PolarHBondContact O-N 2.99Å
17M76.1Confident65.5Low138 Ų138110 Ų11068%0.6860%0.595SS**Hα-helixtrans-67.2-40.7175.7-72-110.4-78.200112.1L13 V14 G20 F21L13-M17 WeakPolarHBondContact O-CB 3.39Å; L13-M17 WeakPolarHBondContact O-CG 3.39Å; L13-M17 PolarHBondContact O-N 2.93Å; V14-M17 PolarHBondContact O-N 3.35Å; M17-G20 PolarHBondContact O-N 3.3Å; M17-F21 WeakPolarHBondContact O-CB 3.41Å; M17-F21 PolarHBondContact O-N 3.43Å
18V75.3Confident64.7Low80 Ų80107.5 Ų107.549%0.48559%0.593SS.*Hα-helixtrans-67.6-42176.6172.90000111.2V14 L15 F21 L22V14-V18 HydrophobicContact CG1-CG2 4.47Å; V14-V18 VanDerWaalsContact O-CG2 3.29Å; V14-V18 WeakPolarHBondContact O-CG2 3.5Å; V14-V18 PolarHBondContact O-N 3.02Å; L15-V18 PolarHBondContact O-N 3.22Å; V18-F21 PolarHBondContact O-N 2.94Å; V18-L22 HydrophobicContact CG1-CD1 4.15Å; V18-L22 WeakPolarHBondContact O-CG 3.36Å; V18-L22 PolarHBondContact O-N 2.97Å
19A70.9Confident63.3Low55 Ų55108.2 Ų108.246%0.45560%0.6SS.*Hα-helixtrans-65.2-40.4175.400000112.3L15 L22 F23L15-A19 WeakPolarHBondContact O-CB 3.24Å; L15-A19 PolarHBondContact O-N 3.04Å; A19-L22 PolarHBondContact O-N 3.42Å; A19-F23 PolarHBondContact O-N 3.17Å; A19-F23 VanDerWaalsContact O-N 3.08Å
20G70.4Confident61.8Low32 Ų32114.1 Ų114.133%0.3362%0.62SS.*Hα-helixtrans-64.4-41.517400000113C16 M17 L22 F23 L24C16-G20 PolarHBondContact O-N 2.99Å; M17-G20 PolarHBondContact O-N 3.3Å; G20-L22 PolarHBondContact O-N 3.34Å; G20-F23 PolarHBondContact O-N 3.43Å; G20-L24 WeakPolarHBondContact O-CD1 3.32Å; G20-L24 PolarHBondContact O-N 3.49Å
21F68.7Low60Low143 Ų143115.7 Ų115.763%0.62763%0.63SS**Hα-helixtrans-65.8-37.2177.7-168.2-97.5000112.4M17 V18 K25M17-F21 WeakPolarHBondContact O-CB 3.41Å; M17-F21 PolarHBondContact O-N 3.43Å; V18-F21 PolarHBondContact O-N 2.94Å; F21-K25 WeakPolarHBondContact O-CB 3.29Å; F21-K25 PolarHBondContact O-N 3.06Å; F21-K25 VanDerWaalsContact O-N 3.11Å
22L64.1Low58.1Low117 Ų117116 Ų11661%0.61364%0.642SS**Hα-helixtrans-70.5-32.7174.8-70.1171.5000112.7V18 A19 G20V18-L22 HydrophobicContact CG1-CD1 4.15Å; V18-L22 WeakPolarHBondContact O-CG 3.36Å; V18-L22 PolarHBondContact O-N 2.97Å; A19-L22 PolarHBondContact O-N 3.42Å; G20-L22 PolarHBondContact O-N 3.34Å
23F56.5Low56.6Low166 Ų166119.5 Ų119.573%0.72866%0.66SS**Hα-helixtrans-79.8-28.9175.4-106.6-87.2000114.2A19 G20 S26A19-F23 PolarHBondContact O-N 3.17Å; A19-F23 VanDerWaalsContact O-N 3.08Å; G20-F23 PolarHBondContact O-N 3.43Å; F23-S26 PolarHBondContact O-OG 3.29Å; F23-S26 VanDerWaalsContact O-OG 3.05Å
24L56.5Low54.5Low138 Ų138117.5 Ų117.572%0.72367%0.668SS**Hα-helixtrans-76.4-32.2173.1-93.784.6000112.2G20 S26 R27G20-L24 WeakPolarHBondContact O-CD1 3.32Å; G20-L24 PolarHBondContact O-N 3.49Å; L24-S26 PolarHBondContact O-N 2.93Å; L24-R27 PolarHBondContact O-N 2.91Å
25K49.1Very low52.4Low162 Ų162120.6 Ų120.670%0.70469%0.686SS**Hα-helixtrans-70.6-18178.4-162.6174.4178.9-1780113.3F21F21-K25 WeakPolarHBondContact O-CB 3.29Å; F21-K25 PolarHBondContact O-N 3.06Å; F21-K25 VanDerWaalsContact O-N 3.11Å
26S46.4Very low50.8Low85 Ų85120.3 Ų120.359%0.59470%0.7SS**THydrogen-bonded Turntrans-87.80.9176.467.60000114.5F23 L24F23-S26 PolarHBondContact O-OG 3.29Å; F23-S26 VanDerWaalsContact O-OG 3.05Å; L24-S26 PolarHBondContact O-N 2.93Å
27R45.5Very low48.7Very low226 Ų226119.1 Ų119.185%0.85370%0.704SS**THydrogen-bonded Turntrans-133.238.4-179.1-86.8-172.5171.1178.8-1.5114.1L24L24-R27 PolarHBondContact O-N 2.91Å
28A40.7Very low46.7Very low78 Ų78122 Ų12265%0.64572%0.715SS**PPolyproline II helixtrans-98.1125.4167.900000110.4
29P35.6Very low44.5Very low117 Ų117124.9 Ų124.976%0.7673%0.733SS**PPolyproline II helixtrans-79119.6175.430.3-29.1000109.7T31P29-T31 PolarHBondContact O-N 3.47Å
30E33Very low42.9Very low202 Ų202131.9 Ų131.994%0.94475%0.754SS**PPolyproline II helixtrans-70.5120.4172.6-72.9-169.3163.400110.1
31T33.6Very low41Very low124 Ų124133 Ų13376%0.76177%0.765SS**  trans-120.6143.9165.641.10000109P29P29-T31 PolarHBondContact O-N 3.47Å
32S30.6Very low39.5Very low115 Ų115132.3 Ų132.380%0.80478%0.775SS**  trans105.4156.5165.3-46.80000115.6
33P38.9Very low38.3Very low124 Ų124133.1 Ų133.181%0.80579%0.785SS**  cis-126.1172.2-33.230.3-10.8000112.3
34G29.9Very low37.4Very low76 Ų76134.8 Ų134.878%0.78479%0.792SS**  trans-74.1146.1-174.900000116.2
35V31.1Very low36.9Very low149 Ų149137.4 Ų137.490%0.90380%0.798SS**  trans-140.1134153.31770000107.7
36A39.7Very low37.2Very low107 Ų107136.4 Ų136.488%0.88480%0.796SS**  trans-59.4129.4-170.500000114.2
37G30.9Very low37.9Very low68 Ų68141 Ų14170%0.70181%0.805SS**  trans-138.5121.4168.500000109.3T39G37-T39 PolarHBondContact O-N 3.16Å
38Q32.6Very low38.6Very low197 Ų197132.3 Ų132.392%0.92177%0.772SS**  trans-52.3123.3-176.5-67.9168.70.600112.4K40Q38-K40 PolarHBondContact O-N 3.15Å
39T29.6Very low39.5Very low141 Ų141132.1 Ų132.187%0.86577%0.765SS**  trans-74.699.2170.137.40000110.2G37 G41G37-T39 PolarHBondContact O-N 3.16Å; T39-G41 PolarHBondContact O-N 3.39Å
40K36.8Very low40.8Very low202 Ų202129.4 Ų129.488%0.87874%0.739SS**  trans-78.5109150.9-82.8-175.3176.4179.40107Q38Q38-K40 PolarHBondContact O-N 3.15Å
41G31.8Very low42Very low56 Ų56120.4 Ų120.458%0.57770%0.699SS**PPolyproline II helixtrans-59.8162.2176.200000112.3T39 T43T39-G41 PolarHBondContact O-N 3.39Å; G41-T43 PolarHBondContact O-N 3.35Å
42P36.8Very low43.3Very low129 Ų129119.7 Ų119.784%0.83869%0.691SS**PPolyproline II helixtrans-65.2124.817729.1-31.1000108.1K44P42-K44 PolarHBondContact O-N 3.38Å; P42-K44 VanDerWaalsContact O-N 3.08Å
43T38.2Very low44.6Very low133 Ų133118.6 Ų118.682%0.81667%0.673SS**PPolyproline II helixtrans-54.7116.6164.539.20000107.5G41 K45G41-T43 PolarHBondContact O-N 3.35Å; T43-K45 PolarHBondContact O-N 2.66Å
44K38.1Very low45.5Very low201 Ų201115.2 Ų115.287%0.87465%0.648SS**  trans-48.6108.9169.6-87.9179.2171.3179.20107.7P42 E46P42-K44 PolarHBondContact O-N 3.38Å; P42-K44 VanDerWaalsContact O-N 3.08Å; K44-E46 PolarHBondContact O-N 3.41Å
45K46.6Very low46.6Very low193 Ų193117.4 Ų117.484%0.83964%0.641SS**  trans-63.4107.3159.9-101.5-177172.6-1770105.3T43 F47T43-K45 PolarHBondContact O-N 2.66Å; K45-F47 PolarHBondContact O-N 3.35Å
46E54.4Low47.7Very low142 Ų142116.4 Ų116.466%0.66463%0.627SS**  trans-55.8124.6167.4-81.8-178.1157.400108.1K44 R48K44-E46 PolarHBondContact O-N 3.41Å; E46-R48 PolarHBondContact O-N 3.19Å; E46-R48 IonicContact OE2-CZ 3.8Å; E46-R48 IonicContact OE2-NE 3.94Å; E46-R48 IonicContact OE2-NH2 3.59Å; E46-R48 PolarHBondContact OE2-NH2 3.2Å; E46-R48 VanDerWaalsContact OE2-NH2 3.13Å
47F61.5Low48.2Very low181 Ų181116.1 Ų116.179%0.79461%0.61SS**  trans-71.2109.3178.3-178.6-108.6000108.5K45 P49K45-F47 PolarHBondContact O-N 3.35Å; F47-P49 VanDerWaalsContact C-CD 3.49Å; F47-P49 HydrophobicContact CD1-CB 4.47Å; F47-P49 HydrophobicContact CD1-CG 4.19Å; F47-P49 HydrophobicContact CE1-CB 3.82Å; F47-P49 HydrophobicContact CE1-CG 3.9Å; F47-P49 HydrophobicContact CZ-CB 4.1Å; F47-P49 WeakPolarHBondContact O-CD 3.4Å
48R60.9Low49.3Very low43 Ų43117.1 Ų117.116%0.16260%0.6CS.*  trans-111.778.9-178.7-64.9-169.2178.5-129.3-9.1110.4E46 W50 A51 E162 E163E46-R48 PolarHBondContact O-N 3.19Å; E46-R48 IonicContact OE2-CZ 3.8Å; E46-R48 IonicContact OE2-NE 3.94Å; E46-R48 IonicContact OE2-NH2 3.59Å; E46-R48 PolarHBondContact OE2-NH2 3.2Å; E46-R48 VanDerWaalsContact OE2-NH2 3.13Å; R48-W50 HydrophobicContact CB-CD2 4.16Å; R48-W50 HydrophobicContact CB-CE3 4.31Å; R48-W50 HydrophobicContact CB-CH2 3.81Å; R48-W50 HydrophobicContact CB-CZ2 3.63Å; R48-W50 HydrophobicContact CB-CZ3 4.14Å; R48-W50 HydrophobicContact CG-CH2 3.6Å; R48-W50 HydrophobicContact CG-CZ2 3.48Å; R48-W50 VanDerWaalsContact CG-CZ2 3.48Å; R48-W50 HydrophobicContact CG-CZ3 4.35Å; R48-W50 PolarHBondContact O-N 3.3Å; R48-A51 PolarHBondContact O-N 3.09Å; R48-E162 IonicContact CZ-OE1 3.13Å; R48-E162 VanDerWaalsContact CZ-OE1 3.29Å; R48-E162 IonicContact NH1-OE1 2.98Å; R48-E162 PolarHBondContact NH1-OE1 2.98Å; R48-E162 IonicContact NH2-OE1 2.79Å; R48-E162 PolarHBondContact NH2-OE1 3.17Å; R48-E163 IonicContact CZ-OE1 3.39Å; R48-E163 IonicContact NH1-OE1 2.8Å; R48-E163 PolarHBondContact NH1-OE1 2.97Å
49P59Low50.2Low75 Ų75110.2 Ų110.249%0.48757%0.571SS.*THydrogen-bonded Turntrans-63.4-12.1-170.822.1-32.7000115.1F47F47-P49 VanDerWaalsContact C-CD 3.49Å; F47-P49 HydrophobicContact CD1-CB 4.47Å; F47-P49 HydrophobicContact CD1-CG 4.19Å; F47-P49 HydrophobicContact CE1-CB 3.82Å; F47-P49 HydrophobicContact CE1-CG 3.9Å; F47-P49 HydrophobicContact CZ-CB 4.1Å; F47-P49 WeakPolarHBondContact O-CD 3.4Å
50W62.7Low51.2Low60 Ų60111.2 Ų111.223%0.22757%0.566CS.*THydrogen-bonded Turntrans-83-22.1179.858.590.2000114.3R48 D52 Q53 E163 N249 P252 Q253R48-W50 HydrophobicContact CB-CD2 4.16Å; R48-W50 HydrophobicContact CB-CE3 4.31Å; R48-W50 HydrophobicContact CB-CH2 3.81Å; R48-W50 HydrophobicContact CB-CZ2 3.63Å; R48-W50 HydrophobicContact CB-CZ3 4.14Å; R48-W50 HydrophobicContact CG-CH2 3.6Å; R48-W50 HydrophobicContact CG-CZ2 3.48Å; R48-W50 VanDerWaalsContact CG-CZ2 3.48Å; R48-W50 HydrophobicContact CG-CZ3 4.35Å; R48-W50 PolarHBondContact O-N 3.3Å; W50-D52 VanDerWaalsContact C-N 3.26Å; W50-D52 PolarHBondContact O-N 3.42Å; W50-Q53 WeakPolarHBondContact O-CB 3.28Å; W50-Q53 PolarHBondContact O-N 3.33Å; W50-Q53 VanDerWaalsContact O-N 3.16Å; W50-E163 WeakPolarHBondContact CZ2-OE1 3.45Å; W50-E163 PolarHBondContact NE1-OE1 3.17Å; W50-N249 VanDerWaalsContact CD1-O 3.27Å; W50-P252 HydrophobicContact CB-CB 3.98Å; W50-P252 HydrophobicContact CB-CG 3.97Å; W50-Q253 VanDerWaalsContact CE2-NE2 3.3Å
51A58.3Low52Low12 Ų12106.5 Ų106.510%0.09955%0.549CS..THydrogen-bonded Turntrans-67-28-174.900000112.9R48 Q53 N249R48-A51 PolarHBondContact O-N 3.09Å; A51-Q53 VanDerWaalsContact C-N 3.29Å; A51-Q53 PolarHBondContact O-N 3.42Å; A51-N249 HydrophobicContact CB-CB 4.32Å; A51-N249 PolarHBondContact O-OD1 2.89Å
52D60Low52.8Low109 Ų109108 Ų10858%0.58355%0.547SS*.THydrogen-bonded Turntrans-79.1-13.8178.4-61-34.4000112.6W50 Q56W50-D52 VanDerWaalsContact C-N 3.26Å; W50-D52 PolarHBondContact O-N 3.42Å; D52-Q56 WeakPolarHBondContact O-CG 3.43Å; D52-Q56 PolarHBondContact O-NE2 2.96Å; D52-Q56 VanDerWaalsContact O-NE2 3.13Å
53Q58.4Low53.4Low92 Ų92113 Ų11343%0.4355%0.55SS..THydrogen-bonded Turntrans-81.4-32.8-175-169.1170.835.200113.1W50 A51 L55 P252W50-Q53 WeakPolarHBondContact O-CB 3.28Å; W50-Q53 PolarHBondContact O-N 3.33Å; W50-Q53 VanDerWaalsContact O-N 3.16Å; A51-Q53 VanDerWaalsContact C-N 3.29Å; A51-Q53 PolarHBondContact O-N 3.42Å; Q53-L55 VanDerWaalsContact C-N 3.32Å; Q53-P252 HydrophobicContact CB-CG 4.27Å
54D57.5Low53.7Low53 Ų53109.7 Ų109.728%0.28354%0.541SS..THydrogen-bonded Turntrans-76.1-20.6-179.9-80.2-11.4000112.6N249 C250 G251 P252D54-N249 VanDerWaalsContact OD2-C 3.28Å; D54-N249 WeakPolarHBondContact OD2-CA 3.18Å; D54-N249 PolarHBondContact OD2-N 2.98Å; D54-N249 VanDerWaalsContact OD2-N 3.12Å; D54-C250 PolarHBondContact OD2-N 3.01Å; D54-G251 PolarHBondContact OD2-N 3.16Å; D54-G251 VanDerWaalsContact OD2-N 3.09Å; D54-P252 WeakPolarHBondContact OD1-CD 3.22Å
55L54.4Low54.3Low123 Ų123104.6 Ų104.664%0.64452%0.524SS*.THydrogen-bonded Turntrans-89.5-10.3178.9-64.4176.3000113.5Q53 D57 L248Q53-L55 VanDerWaalsContact C-N 3.32Å; L55-D57 PolarHBondContact O-N 3.18Å; L55-L248 HydrophobicContact CD2-CD1 4.31Å
56Q53.8Low54.5Low128 Ų128100.2 Ų100.260%0.59851%0.509SS*.  trans-84.8101.2176.6-72.117232.400109.1D52 D58D52-Q56 WeakPolarHBondContact O-CG 3.43Å; D52-Q56 PolarHBondContact O-NE2 2.96Å; D52-Q56 VanDerWaalsContact O-NE2 3.13Å; Q56-D58 PolarHBondContact O-N 3.19Å
57D48.9Very low54.1Low101 Ų101101.1 Ų101.154%0.5452%0.519SS..  trans-74.298.8167.4-169.21.5000108.9L55 T59L55-D57 PolarHBondContact O-N 3.18Å; D57-T59 VanDerWaalsContact C-N 3.26Å; D57-T59 VanDerWaalsContact CG-OG1 3.29Å; D57-T59 WeakPolarHBondContact OD1-CB 3.46Å; D57-T59 WeakPolarHBondContact OD1-CG2 3.34Å; D57-T59 PolarHBondContact OD1-N 3.36Å; D57-T59 VanDerWaalsContact OD1-N 3.1Å; D57-T59 PolarHBondContact OD1-OG1 3.4Å; D57-T59 PolarHBondContact OD2-OG1 3.48Å
58D54.7Low53.5Low88 Ų8899.6 Ų99.647%0.47151%0.514SS..  trans-91.318.917658.9-15.2000112.1Q56 E60 K265Q56-D58 PolarHBondContact O-N 3.19Å; D58-E60 VanDerWaalsContact C-N 3.35Å; D58-K265 IonicContact OD1-NZ 3.1Å; D58-K265 PolarHBondContact OD1-NZ 3.06Å; D58-K265 WeakPolarHBondContact OD2-CE 3.44Å; D58-K265 IonicContact OD2-NZ 3.85Å; D58-K265 PolarHBondContact OD2-NZ 3.47Å
59T50.8Low53.1Low53 Ų53102.1 Ų102.133%0.32552%0.524SS..  trans-83.7-7.9-179.567.10000114D57 I61D57-T59 VanDerWaalsContact C-N 3.26Å; D57-T59 VanDerWaalsContact CG-OG1 3.29Å; D57-T59 WeakPolarHBondContact OD1-CB 3.46Å; D57-T59 WeakPolarHBondContact OD1-CG2 3.34Å; D57-T59 PolarHBondContact OD1-N 3.36Å; D57-T59 VanDerWaalsContact OD1-N 3.1Å; D57-T59 PolarHBondContact OD1-OG1 3.4Å; D57-T59 PolarHBondContact OD2-OG1 3.48Å; T59-I61 PolarHBondContact O-N 3.29Å
60E51.8Low52.8Low162 Ų162100.4 Ų100.476%0.75751%0.512SS*.SBendtrans-75.2117.3172.8-70.4-166.7166.700110.8D58 T62D58-E60 VanDerWaalsContact C-N 3.35Å; E60-T62 PolarHBondContact O-N 2.95Å; E60-T62 VanDerWaalsContact O-N 3.14Å
61I54.2Low52.3Low103 Ų103104.9 Ų104.953%0.52854%0.535SS..  trans-70.2108.2174.3-57.9171.9000108.1T59 W69 Y218T59-I61 PolarHBondContact O-N 3.29Å; I61-W69 HydrophobicContact CG2-CZ2 4.49Å; I61-Y218 HydrophobicContact CD1-CD1 4.07Å; I61-Y218 HydrophobicContact CD1-CE1 4.22Å
62T48.4Very low52.1Low87 Ų87106.6 Ų106.653%0.53454%0.543SS..  trans-78.9129.7170.9290000110.5E60 G64 D65E60-T62 PolarHBondContact O-N 2.95Å; E60-T62 VanDerWaalsContact O-N 3.14Å; T62-G64 PolarHBondContact O-N 3.37Å; T62-D65 PolarHBondContact O-N 2.89Å; T62-D65 PolarHBondContact OG1-OD2 3.45Å; T62-D65 VanDerWaalsContact OG1-OD2 3.05Å
63R48.1Very low51.8Low235 Ų235105.9 Ų105.989%0.88754%0.539SS*.THydrogen-bonded Turntrans-54.81.9177.6-79.4-178172.3169.5-2.5116.1
64G45.4Very low51.6Low62 Ų62109.2 Ų109.264%0.63955%0.554SS**THydrogen-bonded Turntrans-104.8-5.1-179.200000114.5T62 D66T62-G64 PolarHBondContact O-N 3.37Å; G64-D66 VanDerWaalsContact C-N 3.26Å
65D51Low51.7Low94 Ų94111 Ų11150%0.50356%0.561SS.*  trans-85.71177.6-68.2-45000112.6T62 D67 E68 W69T62-D65 PolarHBondContact O-N 2.89Å; T62-D65 PolarHBondContact OG1-OD2 3.45Å; T62-D65 VanDerWaalsContact OG1-OD2 3.05Å; D65-D67 PolarHBondContact O-N 2.95Å; D65-D67 VanDerWaalsContact O-N 3.07Å; D65-E68 PolarHBondContact O-N 3.46Å; D65-W69 VanDerWaalsContact C-NE1 3.28Å; D65-W69 PolarHBondContact O-NE1 3.29Å
66D49.5Very low52Low101 Ų101111.2 Ų111.254%0.5456%0.559SS.*G310 helixtrans-60.9-15.1-173.6-69.1-10.3000114.6G64 W69G64-D66 VanDerWaalsContact C-N 3.26Å; D66-W69 VanDerWaalsContact C-CD1 3.5Å
67D46.8Very low52.9Low161 Ų161113 Ų11386%0.86157%0.573SS**G310 helixtrans-85.2-7.4-175.9-68.7-28.9000114.8D65D65-D67 PolarHBondContact O-N 2.95Å; D65-D67 VanDerWaalsContact O-N 3.07Å
68E49.4Very low54.7Low150 Ų150113.8 Ų113.870%0.70158%0.576SS**G310 helixtrans-118.113.7-178.7-77.9-167.3173.200115D65D65-E68 PolarHBondContact O-N 3.46Å
69W52.8Low56.5Low96 Ų96113.9 Ų113.936%0.36459%0.589SS.*  trans-78.1134.8-179.1-61.574.4000111.3I61 D65 D66 T216 Y218I61-W69 HydrophobicContact CG2-CZ2 4.49Å; D65-W69 VanDerWaalsContact C-NE1 3.28Å; D65-W69 PolarHBondContact O-NE1 3.29Å; D66-W69 VanDerWaalsContact C-CD1 3.5Å; W69-T216 HydrophobicContact CH2-CG2 3.49Å; W69-T216 VanDerWaalsContact CH2-CG2 3.49Å; W69-T216 WeakPolarHBondContact CH2-OG1 3.35Å; W69-T216 HydrophobicContact CZ3-CG2 3.57Å; W69-T216 WeakPolarHBondContact CZ3-OG1 3.47Å; W69-Y218 HydrophobicContact CH2-CE1 4.47Å; W69-Y218 HydrophobicContact CZ3-CE1 4.26Å; W69-Y218 WeakPolarHBondContact CZ3-OH 3.31Å
70V52.4Low58.5Low38 Ų38120.4 Ų120.423%0.2362%0.615CS.*  trans-114114.2176.4175.40000107N72 L209 K213V70-N72 PolarHBondContact O-N 2.83Å; V70-L209 HydrophobicContact CB-CD1 3.99Å; V70-L209 HydrophobicContact CG1-CD1 3.79Å; V70-K213 HydrophobicContact CB-CD 4.5Å; V70-K213 HydrophobicContact CG2-CB 3.78Å; V70-K213 HydrophobicContact CG2-CD 3.33Å; V70-K213 HydrophobicContact CG2-CG 4.06Å; V70-K213 VanDerWaalsContact CG2-NZ 3.31Å
71E51.6Low60.6Low155 Ų155118.5 Ų118.572%0.72461%0.614SS**  trans-57.1120.7164.7-67.8176.9162.800107.5N73E71-N73 VanDerWaalsContact C-N 3.3Å; E71-N73 WeakPolarHBondContact CB-OD1 3.49Å; E71-N73 PolarHBondContact O-N 2.95Å; E71-N73 VanDerWaalsContact O-N 3.15Å; E71-N73 PolarHBondContact O-OD1 3.48Å
72N54.3Low62.7Low47 Ų47119.8 Ų119.825%0.25163%0.63SS.*  trans-83.483.1172.8-169.530.7000107.6V70 E74 E75V70-N72 PolarHBondContact O-N 2.83Å; N72-E74 PolarHBondContact O-N 3.31Å; N72-E75 PolarHBondContact ND2-OE1 3.23Å; N72-E75 PolarHBondContact O-N 3.29Å
73N53.4Low65Low95 Ų95125.2 Ų125.251%0.50864%0.642SS.*G310 helixtrans-64.5-6.4-175.4-60.226.7000113.4E71 E75 E76E71-N73 VanDerWaalsContact C-N 3.3Å; E71-N73 WeakPolarHBondContact CB-OD1 3.49Å; E71-N73 PolarHBondContact O-N 2.95Å; E71-N73 VanDerWaalsContact O-N 3.15Å; E71-N73 PolarHBondContact O-OD1 3.48Å; N73-E75 PolarHBondContact O-N 3.48Å; N73-E76 PolarHBondContact ND2-OE1 2.87Å; N73-E76 PolarHBondContact OD1-OE1 3Å
74E55.2Low67.3Low161 Ų161119.5 Ų119.575%0.75264%0.638SS**G310 helixtrans-68.8-16176.2-65.3-174.7172.700113.2N72N72-E74 PolarHBondContact O-N 3.31Å
75E59.2Low69.7Low90 Ų90120 Ų12042%0.42163%0.63SS.*G310 helixtrans-116.115.5-177.6-69.3174.1-14500113.9N72 N73 D77 L78 K215N72-E75 PolarHBondContact ND2-OE1 3.23Å; N72-E75 PolarHBondContact O-N 3.29Å; N73-E75 PolarHBondContact O-N 3.48Å; E75-D77 VanDerWaalsContact C-N 3.27Å; E75-D77 PolarHBondContact O-N 2.88Å; E75-L78 HydrophobicContact CB-CD1 4.26Å; E75-L78 HydrophobicContact CB-CG 4.36Å; E75-L78 HydrophobicContact CG-CD1 4.46Å; E75-K215 IonicContact OE1-NZ 2.72Å
76E61.2Low71.9Confident128 Ų128122.5 Ų122.560%0.59864%0.639SS**THydrogen-bonded Turntrans-68.2-21.3-175.2-82.4175.7-172.400114.4N73N73-E76 PolarHBondContact ND2-OE1 2.87Å; N73-E76 PolarHBondContact OD1-OE1 3Å
77D72Confident74.2Confident167 Ų167129.1 Ų129.189%0.89366%0.656SS**THydrogen-bonded Turntrans-131.855.3-177.1-97.4-26.4000112.2E75 A79E75-D77 VanDerWaalsContact C-N 3.27Å; E75-D77 PolarHBondContact O-N 2.88Å; D77-A79 PolarHBondContact O-N 2.78Å
78L85.7Confident76.7Confident116 Ų116125 Ų12561%0.60763%0.629SS**PPolyproline II helixtrans-68120.9172.3-70.2174.7000110.7E75 H80E75-L78 HydrophobicContact CB-CD1 4.26Å; E75-L78 HydrophobicContact CB-CG 4.36Å; E75-L78 HydrophobicContact CG-CD1 4.46Å; L78-H80 PolarHBondContact O-CD2 2.87Å; L78-H80 PolarHBondContact O-N 3.14Å
79A92.3Very high79Confident90 Ų90122.1 Ų122.174%0.74462%0.623SS**PPolyproline II helixtrans-66.212617600000111.3D77D77-A79 PolarHBondContact O-N 2.78Å
80H94.6Very high81.2Confident190 Ų190125.7 Ų125.788%0.8864%0.644SS**PPolyproline II helixtrans-77.4126.9172.6-76.2-140.3000110.2L78L78-H80 PolarHBondContact O-CD2 2.87Å; L78-H80 PolarHBondContact O-N 3.14Å
81V95.6Very high83.4Confident122 Ų122131.7 Ų131.774%0.73967%0.67SS**  trans-108.8149.2179.9-61.60000111.7Y83V81-Y83 PolarHBondContact O-N 3.46Å
82P97.3Very high85.6Confident131 Ų131127.1 Ų127.185%0.85165%0.652SS**  trans-61.3129.5175.7-23.334000112.5
83Y97.6Very high87.7Confident201 Ų201129.9 Ų129.979%0.78867%0.665SS**  trans-91.7121.4173.7177.2-122.2000110.7V81 P85V81-Y83 PolarHBondContact O-N 3.46Å; Y83-P85 HydrophobicContact CD1-CG 4.17Å; Y83-P85 HydrophobicContact CE1-CB 4.08Å; Y83-P85 HydrophobicContact CE1-CG 3.56Å; Y83-P85 HydrophobicContact CE2-CB 4.19Å; Y83-P85 HydrophobicContact CE2-CG 4.43Å
84S96.4Very high89.9Confident115 Ų115130 Ų13080%0.80467%0.665SS**  trans-131.581.4-178-164.30000111.3
85P96.1Very high91.9Very high73 Ų73126.9 Ų126.947%0.47465%0.65SS.*PPolyproline II helixtrans-77.6158.5178.932.3-35.2000112Y83 R87Y83-P85 HydrophobicContact CD1-CG 4.17Å; Y83-P85 HydrophobicContact CE1-CB 4.08Å; Y83-P85 HydrophobicContact CE1-CG 3.56Å; Y83-P85 HydrophobicContact CE2-CB 4.19Å; Y83-P85 HydrophobicContact CE2-CG 4.43Å; P85-R87 PolarHBondContact O-N 3.49Å
86Q97.1Very high93.8Very high146 Ų146129.3 Ų129.368%0.68266%0.656SS**PPolyproline II helixtrans-64.4125.5170.2-176.41733.200110.6Y88Q86-Y88 VanDerWaalsContact CD-OH 3.28Å; Q86-Y88 HydrophobicContact CG-CE1 3.97Å; Q86-Y88 HydrophobicContact CG-CE2 4.25Å; Q86-Y88 PolarHBondContact OE1-OH 3.4Å; Q86-Y88 VanDerWaalsContact OE1-OH 3.11Å
87R97.7Very high95.6Very high240 Ų240126 Ų12691%0.90665%0.651SS**PPolyproline II helixtrans-102135.1173.7-172.3175.4179.9178.60.2110.2P85P85-R87 PolarHBondContact O-N 3.49Å
88Y98.1Very high96.9Very high75 Ų75123.2 Ų123.229%0.29463%0.63SS.*  trans-108.2152.3178.3-57.7-80.1000111.1Q86 T92Q86-Y88 VanDerWaalsContact CD-OH 3.28Å; Q86-Y88 HydrophobicContact CG-CE1 3.97Å; Q86-Y88 HydrophobicContact CG-CE2 4.25Å; Q86-Y88 PolarHBondContact OE1-OH 3.4Å; Q86-Y88 VanDerWaalsContact OE1-OH 3.11Å; Y88-T92 HydrophobicContact CD1-CG2 3.97Å; Y88-T92 HydrophobicContact CG-CG2 4.37Å
89P98.6Very high97.5Very high89 Ų89121.9 Ų121.958%0.57862%0.624SS**  trans-60.9150.8163.6-20.733.1000111.4E91 T92 M93P89-E91 VanDerWaalsContact C-N 3.31Å; P89-E91 PolarHBondContact O-N 3.42Å; P89-T92 WeakPolarHBondContact O-CA 3.37Å; P89-T92 WeakPolarHBondContact O-CB 3.28Å; P89-T92 PolarHBondContact O-N 2.73Å; P89-M93 WeakPolarHBondContact O-CG 3.46Å; P89-M93 PolarHBondContact O-N 3Å
90E98.6Very high97.8Very high170 Ų170123.1 Ų123.179%0.79461%0.613SS**Hα-helixtrans-56.8-40.9-175-66.8-177.9-177.400113.4T92 M93 L94E90-T92 VanDerWaalsContact C-N 3.32Å; E90-T92 PolarHBondContact O-N 2.89Å; E90-M93 WeakPolarHBondContact O-CB 3.49Å; E90-M93 PolarHBondContact O-N 3.04Å; E90-M93 VanDerWaalsContact O-N 3.16Å; E90-L94 PolarHBondContact O-N 3.32Å
91E98.6Very high98Very high165 Ų165122.1 Ų122.177%0.77160%0.603SS**Hα-helixtrans-60-43.6176.4-176.3179.2-175.200111.7P89 L94 Q95P89-E91 VanDerWaalsContact C-N 3.31Å; P89-E91 PolarHBondContact O-N 3.42Å; E91-L94 PolarHBondContact O-N 2.94Å; E91-Q95 PolarHBondContact O-N 3.43Å
92T98.5Very high98.1Very high58 Ų58119 Ų11936%0.35659%0.586SS.*Hα-helixtrans-66.3-38.7175.8-54.80000111.3Y88 P89 E90 Q95 R96Y88-T92 HydrophobicContact CD1-CG2 3.97Å; Y88-T92 HydrophobicContact CG-CG2 4.37Å; P89-T92 WeakPolarHBondContact O-CA 3.37Å; P89-T92 WeakPolarHBondContact O-CB 3.28Å; P89-T92 PolarHBondContact O-N 2.73Å; E90-T92 VanDerWaalsContact C-N 3.32Å; E90-T92 PolarHBondContact O-N 2.89Å; T92-Q95 PolarHBondContact O-N 3.39Å; T92-R96 HydrophobicContact CG2-CG 4.3Å; T92-R96 WeakPolarHBondContact O-CB 3.21Å; T92-R96 VanDerWaalsContact O-CG 3.24Å; T92-R96 WeakPolarHBondContact O-CG 3.4Å; T92-R96 PolarHBondContact O-N 2.95Å
93M98.6Very high98.2Very high105 Ų105115 Ų11552%0.51756%0.557SS.*Hα-helixtrans-59.4-47.6174.8-65.7172.257.600111P89 E90 Q95 R96 A97P89-M93 WeakPolarHBondContact O-CG 3.46Å; P89-M93 PolarHBondContact O-N 3Å; E90-M93 WeakPolarHBondContact O-CB 3.49Å; E90-M93 PolarHBondContact O-N 3.04Å; E90-M93 VanDerWaalsContact O-N 3.16Å; M93-Q95 PolarHBondContact O-N 3.47Å; M93-R96 PolarHBondContact O-N 3.15Å; M93-A97 WeakPolarHBondContact O-CB 3.37Å; M93-A97 PolarHBondContact O-N 3.18Å
94L98.8Very high98.3Very high99 Ų99107.4 Ų107.452%0.51853%0.529SS..Hα-helixtrans-63-43.4-179.9-178.361.3000111.7E90 E91 A97 K98E90-L94 PolarHBondContact O-N 3.32Å; E91-L94 PolarHBondContact O-N 2.94Å; L94-A97 PolarHBondContact O-N 3.38Å; L94-K98 HydrophobicContact CG-CD 4.47Å; L94-K98 WeakPolarHBondContact O-CG 3.44Å; L94-K98 PolarHBondContact O-N 3.24Å
95Q98.7Very high98.4Very high95 Ų95104.2 Ų104.244%0.44451%0.507SS..Hα-helixtrans-63.8-48.2178.4-172.655.945.600111.3E91 T92 M93 A97 K98 D99E91-Q95 PolarHBondContact O-N 3.43Å; T92-Q95 PolarHBondContact O-N 3.39Å; M93-Q95 PolarHBondContact O-N 3.47Å; Q95-A97 VanDerWaalsContact C-N 3.3Å; Q95-A97 PolarHBondContact O-N 3.35Å; Q95-K98 WeakPolarHBondContact O-CB 3.45Å; Q95-K98 PolarHBondContact O-N 2.9Å; Q95-K98 VanDerWaalsContact O-N 3.17Å; Q95-D99 PolarHBondContact NE2-OD1 3.19Å; Q95-D99 PolarHBondContact NE2-OD2 2.79Å; Q95-D99 VanDerWaalsContact O-CG 3.26Å; Q95-D99 PolarHBondContact O-N 3.29Å
96R98.5Very high98.5Very high140 Ų140107 Ų10753%0.52851%0.513SS..Hα-helixtrans-60.9-38.9177.9-69.8-179.368.4732.9112.5T92 M93 D99 F100T92-R96 HydrophobicContact CG2-CG 4.3Å; T92-R96 WeakPolarHBondContact O-CB 3.21Å; T92-R96 VanDerWaalsContact O-CG 3.24Å; T92-R96 WeakPolarHBondContact O-CG 3.4Å; T92-R96 PolarHBondContact O-N 2.95Å; M93-R96 PolarHBondContact O-N 3.15Å; R96-D99 PolarHBondContact O-N 3.45Å; R96-F100 WeakPolarHBondContact O-CB 3.44Å; R96-F100 PolarHBondContact O-N 3.01Å
97A98.7Very high98.5Very high60 Ų60102.6 Ų102.650%0.49649%0.491SS..Hα-helixtrans-63.4-43.4176.400000111.8M93 L94 Q95 Y101M93-A97 WeakPolarHBondContact O-CB 3.37Å; M93-A97 PolarHBondContact O-N 3.18Å; L94-A97 PolarHBondContact O-N 3.38Å; Q95-A97 VanDerWaalsContact C-N 3.3Å; Q95-A97 PolarHBondContact O-N 3.35Å; A97-Y101 VanDerWaalsContact O-CB 3.28Å; A97-Y101 WeakPolarHBondContact O-CB 3.41Å; A97-Y101 PolarHBondContact O-N 3.19Å
98K98.7Very high98.6Very high107 Ų10794.6 Ų94.647%0.46546%0.461SS..Hα-helixtrans-61.9-48.7175-72.3171.4-179173.90111.5L94 Q95 F100 Y101 S102L94-K98 HydrophobicContact CG-CD 4.47Å; L94-K98 WeakPolarHBondContact O-CG 3.44Å; L94-K98 PolarHBondContact O-N 3.24Å; Q95-K98 WeakPolarHBondContact O-CB 3.45Å; Q95-K98 PolarHBondContact O-N 2.9Å; Q95-K98 VanDerWaalsContact O-N 3.17Å; K98-F100 PolarHBondContact O-N 2.94Å; K98-Y101 PolarHBondContact O-N 3.33Å; K98-S102 WeakPolarHBondContact O-CB 3.48Å; K98-S102 PolarHBondContact O-N 3.49Å; K98-S102 PolarHBondContact O-OG 3.38Å
99D98.8Very high98.6Very high88 Ų8892.8 Ų92.847%0.47146%0.459SS..Hα-helixtrans-63-44.5-177.6-64.8-23000111.5Q95 R96 S102 L103Q95-D99 PolarHBondContact NE2-OD1 3.19Å; Q95-D99 PolarHBondContact NE2-OD2 2.79Å; Q95-D99 VanDerWaalsContact O-CG 3.26Å; Q95-D99 PolarHBondContact O-N 3.29Å; R96-D99 PolarHBondContact O-N 3.45Å; D99-S102 PolarHBondContact O-N 3Å; D99-L103 WeakPolarHBondContact O-CB 3.32Å; D99-L103 PolarHBondContact O-N 3.23Å
100F98.8Very high98.6Very high116 Ų11689.1 Ų89.151%0.50944%0.435SS..Hα-helixtrans-66.9-40.9177.9-171.2-110.7000112.1R96 K98 L103 M104R96-F100 WeakPolarHBondContact O-CB 3.44Å; R96-F100 PolarHBondContact O-N 3.01Å; K98-F100 PolarHBondContact O-N 2.94Å; F100-L103 HydrophobicContact CD2-CD2 4.45Å; F100-L103 PolarHBondContact O-N 3.37Å; F100-M104 HydrophobicContact CD1-CG 4.31Å; F100-M104 HydrophobicContact CD2-CG 4.43Å; F100-M104 HydrophobicContact CE1-CG 3.91Å; F100-M104 HydrophobicContact CE2-CG 4.04Å; F100-M104 HydrophobicContact CE2-SD 4.38Å; F100-M104 HydrophobicContact CZ-CG 3.77Å; F100-M104 HydrophobicContact CZ-SD 4.23Å; F100-M104 WeakPolarHBondContact O-CB 3.4Å; F100-M104 WeakPolarHBondContact O-CG 3.35Å; F100-M104 PolarHBondContact O-N 2.81Å
101Y98.7Very high98.6Very high170 Ų17084 Ų8467%0.66741%0.408SS*.Hα-helixtrans-58.7-47.5171.7169.4-98.7000111.1A97 K98 L103 M104 S105A97-Y101 VanDerWaalsContact O-CB 3.28Å; A97-Y101 WeakPolarHBondContact O-CB 3.41Å; A97-Y101 PolarHBondContact O-N 3.19Å; K98-Y101 PolarHBondContact O-N 3.33Å; Y101-L103 PolarHBondContact O-N 2.7Å; Y101-M104 PolarHBondContact O-N 2.75Å; Y101-S105 WeakPolarHBondContact O-CB 3.47Å; Y101-S105 PolarHBondContact O-N 2.86Å
102S98.6Very high98.6Very high56 Ų5681 Ų8139%0.39239%0.393SS..Hα-helixtrans-59.7-44.6178.1-71.30000111.8K98 D99 S105 Q106K98-S102 WeakPolarHBondContact O-CB 3.48Å; K98-S102 PolarHBondContact O-N 3.49Å; K98-S102 PolarHBondContact O-OG 3.38Å; D99-S102 PolarHBondContact O-N 3Å; S102-S105 PolarHBondContact O-N 3.45Å; S102-S105 PolarHBondContact O-OG 3.28Å; S102-Q106 WeakPolarHBondContact O-CG 3.45Å; S102-Q106 PolarHBondContact O-N 3.28Å
103L98.8Very high98.6Very high46 Ų4678.7 Ų78.724%0.24138%0.378CS..Hα-helixtrans-58.6-50.9174.617765.9000111.8D99 F100 Y101 S105 Q106 Q236 N237D99-L103 WeakPolarHBondContact O-CB 3.32Å; D99-L103 PolarHBondContact O-N 3.23Å; F100-L103 HydrophobicContact CD2-CD2 4.45Å; F100-L103 PolarHBondContact O-N 3.37Å; Y101-L103 PolarHBondContact O-N 2.7Å; L103-S105 VanDerWaalsContact C-N 3.29Å; L103-S105 PolarHBondContact O-N 3.37Å; L103-Q106 PolarHBondContact O-N 3.44Å; L103-Q236 HydrophobicContact CD1-CG 4.22Å; L103-Q236 HydrophobicContact CG-CG 4.21Å; L103-Q236 PolarHBondContact O-NE2 2.94Å; L103-N237 HydrophobicContact CD2-CB 4.32Å
104M98.7Very high98.6Very high42 Ų4274.8 Ų74.821%0.20736%0.361CS..Hα-helixtrans-72-23.8-178.3-67.3-54.6-62.800113F100 Y101 Q106 R107 A233 Q236 R286F100-M104 HydrophobicContact CD1-CG 4.31Å; F100-M104 HydrophobicContact CD2-CG 4.43Å; F100-M104 HydrophobicContact CE1-CG 3.91Å; F100-M104 HydrophobicContact CE2-CG 4.04Å; F100-M104 HydrophobicContact CE2-SD 4.38Å; F100-M104 HydrophobicContact CZ-CG 3.77Å; F100-M104 HydrophobicContact CZ-SD 4.23Å; F100-M104 WeakPolarHBondContact O-CB 3.4Å; F100-M104 WeakPolarHBondContact O-CG 3.35Å; F100-M104 PolarHBondContact O-N 2.81Å; Y101-M104 PolarHBondContact O-N 2.75Å; M104-Q106 VanDerWaalsContact C-N 3.27Å; M104-Q106 PolarHBondContact O-N 3.22Å; M104-R107 WeakPolarHBondContact O-CB 3.47Å; M104-R107 PolarHBondContact O-N 3.09Å; M104-A233 HydrophobicContact CE-CB 3.78Å; M104-A233 HydrophobicContact SD-CB 3.93Å; M104-Q236 HydrophobicContact SD-CB 4.2Å; M104-Q236 HydrophobicContact SD-CG 4.14Å; M104-R286 PolarHBondContact O-NH1 3.13Å; M104-R286 VanDerWaalsContact O-NH1 3.13Å
105S98.2Very high98.6Very high48 Ų4874.6 Ų74.634%0.33637%0.366SS..Hα-helixtrans-64.9-33.1174.679.40000111.9Y101 S102 L103 R107 R286Y101-S105 WeakPolarHBondContact O-CB 3.47Å; Y101-S105 PolarHBondContact O-N 2.86Å; S102-S105 PolarHBondContact O-N 3.45Å; S102-S105 PolarHBondContact O-OG 3.28Å; L103-S105 VanDerWaalsContact C-N 3.29Å; L103-S105 PolarHBondContact O-N 3.37Å; S105-R107 VanDerWaalsContact C-N 3.33Å; S105-R107 PolarHBondContact O-N 2.93Å; S105-R286 PolarHBondContact O-NH1 2.82Å
106Q98.4Very high98.6Very high131 Ų13175.1 Ų75.161%0.61237%0.369SS*.Hα-helixtrans-73.6-23.1179.1-65.217220.400113S102 L103 M104 R108S102-Q106 WeakPolarHBondContact O-CG 3.45Å; S102-Q106 PolarHBondContact O-N 3.28Å; L103-Q106 PolarHBondContact O-N 3.44Å; M104-Q106 VanDerWaalsContact C-N 3.27Å; M104-Q106 PolarHBondContact O-N 3.22Å; Q106-R108 PolarHBondContact O-N 3.4Å
107R98.7Very high98.5Very high55 Ų5573.5 Ų73.521%0.20838%0.376CS..  trans-59.5122.1-179.4-167.4-154.867.175.3-5.7111.1M104 S105 S109 Q236 R286M104-R107 WeakPolarHBondContact O-CB 3.47Å; M104-R107 PolarHBondContact O-N 3.09Å; S105-R107 VanDerWaalsContact C-N 3.33Å; S105-R107 PolarHBondContact O-N 2.93Å; R107-S109 PolarHBondContact NH1-OG 3.3Å; R107-Q236 VanDerWaalsContact CA-OE1 3.3Å; R107-Q236 HydrophobicContact CB-CB 4.41Å; R107-Q236 HydrophobicContact CB-CG 3.99Å; R107-Q236 HydrophobicContact CG-CB 4.26Å; R107-Q236 HydrophobicContact CG-CG 4.36Å; R107-R286 PolarHBondContact O-NH2 3.43Å
108R98.6Very high98.5Very high71 Ų7171 Ų7127%0.26836%0.355SS..  trans-119.7155.3170-56.2-56.9-56.1-76.5-7.2109.8Q106 V110 V281 P282Q106-R108 PolarHBondContact O-N 3.4Å; R108-V110 PolarHBondContact O-N 3.21Å; R108-V281 HydrophobicContact CB-CG1 3.96Å; R108-V281 HydrophobicContact CG-CG2 4.39Å; R108-V281 VanDerWaalsContact NH1-CG2 3.34Å; R108-P282 PolarHBondContact NH1-O 3.46Å; R108-P282 PolarHBondContact NH2-O 2.89Å
109S98.6Very high98.5Very high38 Ų3869.4 Ų69.427%0.26636%0.355SS..BIsolated β-bridgetrans-81.1114.1169.2-59.70000108.7R107 T242R107-S109 PolarHBondContact NH1-OG 3.3Å; S109-T242 WeakPolarHBondContact CA-O 3.07Å
110V98.5Very high98.5Very high11 Ų1171.1 Ų71.17%0.06736%0.355CS..  trans-105.3128.9-173.8-179.50000109.5R108 F112 V241 T242 V243 P275 A279 V281R108-V110 PolarHBondContact O-N 3.21Å; V110-F112 VanDerWaalsContact CG1-O 3.26Å; V110-F112 WeakPolarHBondContact CG1-O 3.46Å; V110-V241 HydrophobicContact CB-CB 3.96Å; V110-V241 HydrophobicContact CB-CG2 3.86Å; V110-V241 HydrophobicContact CG1-CG2 4.04Å; V110-V241 HydrophobicContact CG2-CB 3.86Å; V110-V241 HydrophobicContact CG2-CG1 4.03Å; V110-V241 HydrophobicContact CG2-CG2 4.17Å; V110-T242 PolarHBondContact N-O 3.06Å; V110-V243 WeakPolarHBondContact O-CB 3.14Å; V110-V243 WeakPolarHBondContact O-CG1 3.4Å; V110-P275 HydrophobicContact CG1-CB 4.31Å; V110-A279 HydrophobicContact CG1-CB 4.09Å; V110-V281 HydrophobicContact CG2-CG1 4.26Å
111R98.3Very high98.5Very high63 Ų6372 Ų7224%0.23836%0.361CS..SBendtrans-106.3-5.5-177.9-63.8-178.1178.682.3-2.2113.7T185 Y191 V243R111-T185 VanDerWaalsContact NE-CG2 3.26Å; R111-Y191 HydrophobicContact CB-CD1 4.39Å; R111-Y191 VanDerWaalsContact O-CD1 3.32Å; R111-Y191 WeakPolarHBondContact O-CD1 3.43Å; R111-V243 HydrophobicContact CG-CB 4.24Å; R111-V243 HydrophobicContact CG-CG1 4.16Å; R111-V243 HydrophobicContact CG-CG2 4.15Å
112F98.2Very high98.5Very high103 Ų10366.1 Ų66.145%0.45234%0.342SS..  trans-114.8103.7176.4-55.6-80.7000107.7V110 A276 A279V110-F112 VanDerWaalsContact CG1-O 3.26Å; V110-F112 WeakPolarHBondContact CG1-O 3.46Å; F112-A276 HydrophobicContact CB-CB 4.05Å; F112-A276 PolarHBondContact O-N 2.97Å; F112-A279 HydrophobicContact CB-CB 3.85Å
113I98.6Very high98.5Very high8 Ų863.4 Ų63.44%0.04132%0.324CS..BIsolated β-bridgetrans-112.9140.5-171.7-63173.9000108V194 A195 P271 Y274I113-V194 WeakPolarHBondContact O-CG1 3.47Å; I113-A195 HydrophobicContact CB-CB 4.28Å; I113-A195 HydrophobicContact CD1-CB 4.14Å; I113-A195 HydrophobicContact CG2-CB 3.74Å; I113-P271 HydrophobicContact CD1-CB 3.66Å; I113-P271 HydrophobicContact CD1-CG 3.72Å; I113-P271 WeakPolarHBondContact CD1-O 3.42Å; I113-Y274 CarbonylContact C-O 3.59Å; I113-Y274 WeakPolarHBondContact CA-O 3.19Å; I113-Y274 WeakPolarHBondContact CG2-O 3.44Å
114S98.7Very high98.5Very high23 Ų2364 Ų6416%0.16133%0.327CS..  trans-75144.7175.8178.10000111E116 P196 Y274S114-E116 PolarHBondContact O-N 3.18Å; S114-E116 VanDerWaalsContact OG-CB 3.28Å; S114-E116 WeakPolarHBondContact OG-CB 3.24Å; S114-E116 PolarHBondContact OG-N 2.66Å; S114-E116 VanDerWaalsContact OG-N 3.15Å; S114-P196 WeakPolarHBondContact O-CD 3.25Å; S114-Y274 PolarHBondContact N-O 3.4Å
115P98.3Very high98.5Very high96 Ų9667.6 Ų67.662%0.62334%0.341SS*.  trans-75.7-2.1170.733.5-36.2000113.3V194P115-V194 WeakPolarHBondContact CA-O 3.37Å; P115-V194 HydrophobicContact CB-CG1 4.04Å; P115-V194 HydrophobicContact CG-CG1 4.36Å
116E98.4Very high98.5Very high106 Ų10665.3 Ų65.350%0.49533%0.326SS..  trans-53.6130.7179-178.6178175.400111.2S114 Y274S114-E116 PolarHBondContact O-N 3.18Å; S114-E116 VanDerWaalsContact OG-CB 3.28Å; S114-E116 WeakPolarHBondContact OG-CB 3.24Å; S114-E116 PolarHBondContact OG-N 2.66Å; S114-E116 VanDerWaalsContact OG-N 3.15Å; E116-Y274 HydrophobicContact CB-CD2 3.98Å; E116-Y274 HydrophobicContact CG-CD2 3.87Å; E116-Y274 HydrophobicContact CG-CE2 4.06Å
117P98.1Very high98.5Very high106 Ų10660.4 Ų60.469%0.68830%0.303SS*.  trans-66.2139.3-174.826.8-35000111.6
118V98.3Very high98.5Very high7 Ų763.2 Ų63.24%0.04232%0.322CS..  trans-104135.3172.1174.50000109.1R120 V122 I123 P196 Y197 L240 Y274V118-R120 PolarHBondContact O-N 3.31Å; V118-V122 HydrophobicContact CG1-CB 4.44Å; V118-I123 HydrophobicContact CG1-CD1 3.92Å; V118-I123 HydrophobicContact CG1-CG1 4.21Å; V118-P196 HydrophobicContact CB-CG 4.47Å; V118-P196 HydrophobicContact CG2-CG 3.92Å; V118-Y197 HydrophobicContact CB-CD2 4.26Å; V118-Y197 HydrophobicContact CB-CE2 3.99Å; V118-Y197 WeakPolarHBondContact O-CE2 3.39Å; V118-Y197 PolarHBondContact O-OH 3.16Å; V118-L240 HydrophobicContact CG1-CD1 3.74Å; V118-L240 HydrophobicContact CG1-CD2 4.09Å; V118-L240 HydrophobicContact CG2-CD2 3.65Å; V118-Y274 HydrophobicContact CG2-CD2 4.11Å; V118-Y274 HydrophobicContact CG2-CE2 3.84Å
119P98.6Very high98.5Very high74 Ų7462.5 Ų62.548%0.48133%0.325SS..  trans-57.1128.2176.5-24.633.7000111.7E121 V122P119-E121 PolarHBondContact O-N 3.21Å; P119-V122 HydrophobicContact CB-CG2 4.07Å; P119-V122 HydrophobicContact CG-CG2 4.39Å; P119-V122 WeakPolarHBondContact O-CB 3.48Å; P119-V122 PolarHBondContact O-N 2.68Å
120R97.9Very high98.5Very high124 Ų12460.7 Ų60.747%0.46831%0.313SS..Hα-helixtrans-57.4-37.6-177176.158.1-163.8-94.6-4112.8V118 V122 I123 D124V118-R120 PolarHBondContact O-N 3.31Å; R120-V122 PolarHBondContact O-N 3.45Å; R120-I123 WeakPolarHBondContact O-CA 3.21Å; R120-I123 WeakPolarHBondContact O-CB 3.42Å; R120-I123 PolarHBondContact O-N 3.46Å; R120-D124 IonicContact CZ-OD1 3.55Å; R120-D124 VanDerWaalsContact CZ-OD1 3.27Å; R120-D124 IonicContact NE-OD1 2.87Å; R120-D124 PolarHBondContact NE-OD1 3.34Å; R120-D124 IonicContact NE-OD2 2.76Å; R120-D124 IonicContact NH2-OD1 3.27Å; R120-D124 PolarHBondContact NH2-OD1 3.28Å; R120-D124 PolarHBondContact O-N 3.3Å
121E98.5Very high98.6Very high134 Ų13461.2 Ų61.263%0.62632%0.32SS*.Hα-helixtrans-60-35178.1-172.8177.9-175.500112.3P119 I123 D124 K125P119-E121 PolarHBondContact O-N 3.21Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 2.97Å; E121-D124 PolarHBondContact O-N 2.67Å; E121-K125 HydrophobicContact CG-CG 4.42Å; E121-K125 VanDerWaalsContact O-CG 3.29Å; E121-K125 WeakPolarHBondContact O-CG 3.31Å; E121-K125 PolarHBondContact O-N 3.07Å
122V98.8Very high98.6Very high46 Ų4663.1 Ų63.128%0.27934%0.339SS..Hα-helixtrans-62.4-44.1174.8175.20000110.1V118 P119 R120 D124 K125 V126 V238 L240V118-V122 HydrophobicContact CG1-CB 4.44Å; P119-V122 HydrophobicContact CB-CG2 4.07Å; P119-V122 HydrophobicContact CG-CG2 4.39Å; P119-V122 WeakPolarHBondContact O-CB 3.48Å; P119-V122 PolarHBondContact O-N 2.68Å; R120-V122 PolarHBondContact O-N 3.45Å; V122-D124 VanDerWaalsContact C-N 3.35Å; V122-D124 PolarHBondContact O-N 3.04Å; V122-K125 PolarHBondContact O-N 3.16Å; V122-V126 WeakPolarHBondContact O-CG1 3.34Å; V122-V126 PolarHBondContact O-N 2.76Å; V122-V238 HydrophobicContact CG1-CB 4.08Å; V122-V238 HydrophobicContact CG1-CG1 4.4Å; V122-V238 HydrophobicContact CG1-CG2 3.78Å; V122-L240 HydrophobicContact CG1-CD1 4.01Å
123I98.8Very high98.6Very high0 Ų058.7 Ų58.70%032%0.322CS..Hα-helixtrans-61.6-43.5176.7-56.8-58000111.1V118 R120 E121 K125 V126 I127 V146 Y197 I199 L240 V272V118-I123 HydrophobicContact CG1-CD1 3.92Å; V118-I123 HydrophobicContact CG1-CG1 4.21Å; R120-I123 WeakPolarHBondContact O-CA 3.21Å; R120-I123 WeakPolarHBondContact O-CB 3.42Å; R120-I123 PolarHBondContact O-N 3.46Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 2.97Å; I123-K125 PolarHBondContact O-N 2.83Å; I123-V126 WeakPolarHBondContact O-CG2 3.32Å; I123-V126 PolarHBondContact O-N 2.99Å; I123-I127 HydrophobicContact CG2-CD1 3.89Å; I123-I127 WeakPolarHBondContact O-CG1 3.33Å; I123-I127 PolarHBondContact O-N 3.46Å; I123-I127 VanDerWaalsContact O-N 3.14Å; I123-V146 HydrophobicContact CG2-CG1 4.04Å; I123-V146 HydrophobicContact CG2-CG2 4.27Å; I123-Y197 HydrophobicContact CD1-CD2 3.89Å; I123-Y197 HydrophobicContact CD1-CE2 4.32Å; I123-Y197 HydrophobicContact CD1-CG 4.32Å; I123-Y197 HydrophobicContact CG1-CD1 4.44Å; I123-Y197 HydrophobicContact CG1-CD2 3.68Å; I123-Y197 HydrophobicContact CG1-CE1 4.44Å; I123-Y197 HydrophobicContact CG1-CE2 3.69Å; I123-Y197 HydrophobicContact CG1-CG 4.07Å; I123-I199 HydrophobicContact CG2-CD1 4.3Å; I123-L240 HydrophobicContact CD1-CD1 4.2Å; I123-V272 HydrophobicContact CD1-CG1 3.94Å
124D98.7Very high98.6Very high58 Ų5862.3 Ų62.331%0.3135%0.346SS..Hα-helixtrans-63.7-41.7178.1-63.2-27.3000111.2R120 E121 V122 I127 L128R120-D124 IonicContact CZ-OD1 3.55Å; R120-D124 VanDerWaalsContact CZ-OD1 3.27Å; R120-D124 IonicContact NE-OD1 2.87Å; R120-D124 PolarHBondContact NE-OD1 3.34Å; R120-D124 IonicContact NE-OD2 2.76Å; R120-D124 IonicContact NH2-OD1 3.27Å; R120-D124 PolarHBondContact NH2-OD1 3.28Å; R120-D124 PolarHBondContact O-N 3.3Å; E121-D124 PolarHBondContact O-N 2.67Å; V122-D124 VanDerWaalsContact C-N 3.35Å; V122-D124 PolarHBondContact O-N 3.04Å; D124-I127 PolarHBondContact O-N 3.37Å; D124-L128 WeakPolarHBondContact O-CB 3.34Å; D124-L128 WeakPolarHBondContact O-CG 3.47Å; D124-L128 PolarHBondContact O-N 2.99Å
125K98.9Very high98.5Very high117 Ų11762.3 Ų62.351%0.50935%0.345SS..Hα-helixtrans-67.5-39.5178.4-66.9-60.2178.8-171.20113.3E121 V122 I123 I127 L128 T129E121-K125 HydrophobicContact CG-CG 4.42Å; E121-K125 VanDerWaalsContact O-CG 3.29Å; E121-K125 WeakPolarHBondContact O-CG 3.31Å; E121-K125 PolarHBondContact O-N 3.07Å; V122-K125 PolarHBondContact O-N 3.16Å; I123-K125 PolarHBondContact O-N 2.83Å; K125-I127 VanDerWaalsContact C-N 3.31Å; K125-I127 PolarHBondContact O-N 2.62Å; K125-L128 HydrophobicContact CD-CD1 4.27Å; K125-L128 PolarHBondContact O-N 3.47Å; K125-T129 PolarHBondContact O-N 3.36Å; K125-T129 PolarHBondContact O-OG1 2.94Å
126V98.8Very high98.2Very high1 Ų158.6 Ų58.61%0.00633%0.325CS..Hα-helixtrans-68.3-33.2177.1-58.40000111.8V122 I123 T129 A130 L231 S234 L235 V238V122-V126 WeakPolarHBondContact O-CG1 3.34Å; V122-V126 PolarHBondContact O-N 2.76Å; I123-V126 WeakPolarHBondContact O-CG2 3.32Å; I123-V126 PolarHBondContact O-N 2.99Å; V126-T129 WeakPolarHBondContact O-CB 3.38Å; V126-T129 PolarHBondContact O-N 2.92Å; V126-A130 PolarHBondContact O-N 3.48Å; V126-L231 HydrophobicContact CB-CD1 4.02Å; V126-L231 HydrophobicContact CG2-CD1 3.85Å; V126-S234 WeakPolarHBondContact CA-OG 3.28Å; V126-S234 WeakPolarHBondContact CG1-OG 3.31Å; V126-L235 HydrophobicContact CG1-CD2 4.45Å; V126-L235 HydrophobicContact CG2-CD2 3.99Å; V126-V238 HydrophobicContact CG1-CG1 4.17Å; V126-V238 HydrophobicContact CG1-CG2 3.83Å
127I98.9Very high97.9Very high28 Ų2856.8 Ų56.814%0.14433%0.328CS..Hα-helixtrans-71.1-43.4174.1-69.7169.3000111.2I123 D124 K125 T129 A130 G131 F144 V146 I199 L231I123-I127 HydrophobicContact CG2-CD1 3.89Å; I123-I127 WeakPolarHBondContact O-CG1 3.33Å; I123-I127 PolarHBondContact O-N 3.46Å; I123-I127 VanDerWaalsContact O-N 3.14Å; D124-I127 PolarHBondContact O-N 3.37Å; K125-I127 VanDerWaalsContact C-N 3.31Å; K125-I127 PolarHBondContact O-N 2.62Å; I127-T129 PolarHBondContact O-N 2.82Å; I127-A130 WeakPolarHBondContact O-CA 3.26Å; I127-A130 WeakPolarHBondContact O-CB 3.37Å; I127-A130 PolarHBondContact O-N 2.89Å; I127-G131 PolarHBondContact O-N 3.41Å; I127-F144 HydrophobicContact CD1-CB 4.18Å; I127-F144 HydrophobicContact CG1-CB 4.38Å; I127-F144 HydrophobicContact CG1-CG 4.49Å; I127-F144 HydrophobicContact CG2-CB 3.89Å; I127-F144 HydrophobicContact CG2-CD1 4.5Å; I127-F144 HydrophobicContact CG2-CD2 3.74Å; I127-F144 HydrophobicContact CG2-CE2 4.44Å; I127-F144 HydrophobicContact CG2-CG 3.79Å; I127-V146 HydrophobicContact CD1-CG2 3.25Å; I127-I199 HydrophobicContact CD1-CD1 4.33Å; I127-I199 HydrophobicContact CG1-CD1 4.44Å; I127-L231 HydrophobicContact CG1-CD1 4.43Å
128L98.8Very high97.8Very high113 Ų11358 Ų5859%0.59232%0.324SS*.Hα-helixtrans-57.9-39.1172.7-76.1170.6000111.3D124 K125 G131 T132D124-L128 WeakPolarHBondContact O-CB 3.34Å; D124-L128 WeakPolarHBondContact O-CG 3.47Å; D124-L128 PolarHBondContact O-N 2.99Å; K125-L128 HydrophobicContact CD-CD1 4.27Å; K125-L128 PolarHBondContact O-N 3.47Å; L128-G131 PolarHBondContact O-N 2.83Å; L128-T132 WeakPolarHBondContact O-CG2 3.17Å; L128-T132 PolarHBondContact O-N 2.61Å
129T98.9Very high97.6Very high56 Ų5658.2 Ų58.234%0.34433%0.326SS..Hα-helixtrans-62-44.1173.7-49.10000110.9K125 V126 I127 G131 T132 I230 S234K125-T129 PolarHBondContact O-N 3.36Å; K125-T129 PolarHBondContact O-OG1 2.94Å; V126-T129 WeakPolarHBondContact O-CB 3.38Å; V126-T129 PolarHBondContact O-N 2.92Å; I127-T129 PolarHBondContact O-N 2.82Å; T129-G131 VanDerWaalsContact C-N 3.27Å; T129-G131 PolarHBondContact O-N 2.83Å; T129-T132 PolarHBondContact O-N 2.84Å; T129-T132 VanDerWaalsContact O-N 3.15Å; T129-T132 PolarHBondContact O-OG1 3.37Å; T129-I230 HydrophobicContact CG2-CG2 3.81Å; T129-I230 VanDerWaalsContact O-CG2 3.28Å; T129-I230 WeakPolarHBondContact O-CG2 3.46Å; T129-S234 PolarHBondContact OG1-OG 3.33Å
130A98.8Very high97.6Very high0 Ų058.9 Ų58.90%032%0.322CS..Hα-helixtrans-61.1-36.8175.600000112.4V126 I127 T132 A133 F144 S227 L231V126-A130 PolarHBondContact O-N 3.48Å; I127-A130 WeakPolarHBondContact O-CA 3.26Å; I127-A130 WeakPolarHBondContact O-CB 3.37Å; I127-A130 PolarHBondContact O-N 2.89Å; A130-T132 PolarHBondContact O-N 2.84Å; A130-A133 WeakPolarHBondContact O-CB 3.44Å; A130-A133 PolarHBondContact O-N 3.01Å; A130-F144 HydrophobicContact CB-CE1 4.07Å; A130-F144 HydrophobicContact CB-CE2 4.47Å; A130-F144 HydrophobicContact CB-CZ 3.77Å; A130-S227 VanDerWaalsContact C-OG 3.28Å; A130-S227 PolarHBondContact O-OG 2.82Å; A130-L231 HydrophobicContact CB-CB 3.75Å; A130-L231 HydrophobicContact CB-CD1 4.23Å; A130-L231 HydrophobicContact CB-CG 4.45Å
131G98.7Very high97.6Very high22 Ų2253 Ų5323%0.22730%0.3CS..THydrogen-bonded Turntrans-64-13.4176.100000114.6I127 L128 T129 A133I127-G131 PolarHBondContact O-N 3.41Å; L128-G131 PolarHBondContact O-N 2.83Å; T129-G131 VanDerWaalsContact C-N 3.27Å; T129-G131 PolarHBondContact O-N 2.83Å; G131-A133 PolarHBondContact O-N 3.02Å
132T98.8Very high97.6Very high104 Ų10447.8 Ų47.864%0.63828%0.275SS*.THydrogen-bonded Turntrans-81.36.9174.279.80000113.2L128 T129 A130L128-T132 WeakPolarHBondContact O-CG2 3.17Å; L128-T132 PolarHBondContact O-N 2.61Å; T129-T132 PolarHBondContact O-N 2.84Å; T129-T132 VanDerWaalsContact O-N 3.15Å; T129-T132 PolarHBondContact O-OG1 3.37Å; A130-T132 PolarHBondContact O-N 2.84Å
133A98.7Very high97.6Very high10 Ų1046.7 Ų46.78%0.08327%0.268CS..SBendtrans-63.3149.8178.600000111.6A130 G131 W142 I226 I230A130-A133 WeakPolarHBondContact O-CB 3.44Å; A130-A133 PolarHBondContact O-N 3.01Å; G131-A133 PolarHBondContact O-N 3.02Å; A133-W142 HydrophobicContact CB-CH2 3.7Å; A133-W142 HydrophobicContact CB-CZ2 4.42Å; A133-W142 HydrophobicContact CB-CZ3 3.89Å; A133-W142 VanDerWaalsContact O-CH2 3.31Å; A133-W142 WeakPolarHBondContact O-CH2 3.43Å; A133-I226 HydrophobicContact CB-CG2 4.36Å; A133-I230 HydrophobicContact CB-CD1 3.83Å
134P98.3Very high97.6Very high84 Ų8448.4 Ų48.455%0.54528%0.276SS..  trans-67154.3165.331.2-35.5000110.4I226P134-I226 HydrophobicContact CG-CG2 4.05Å
135S97.6Very high97.6Very high22 Ų2246.7 Ų46.715%0.15427%0.267CS..  trans-146.7150174.958.20000110.8A137 H138 T139 E140S135-A137 PolarHBondContact O-N 3.36Å; S135-H138 PolarHBondContact O-N 2.86Å; S135-H138 VanDerWaalsContact O-N 3.14Å; S135-H138 WeakPolarHBondContact OG-CA 3.35Å; S135-T139 PolarHBondContact OG-N 2.7Å; S135-E140 PolarHBondContact OG-N 3.09Å
136G92.1Very high97.6Very high18 Ų1842.9 Ų42.919%0.18625%0.254CS..G310 helixtrans-56.7123.6176.700000110.6H138 T139 S223G136-H138 PolarHBondContact O-N 3.42Å; G136-H138 VanDerWaalsContact O-N 3.16Å; G136-T139 WeakPolarHBondContact O-CB 3.36Å; G136-T139 VanDerWaalsContact O-CG2 3.23Å; G136-T139 WeakPolarHBondContact O-CG2 3.49Å; G136-T139 PolarHBondContact O-N 2.87Å; G136-T139 PolarHBondContact O-OG1 3.22Å; G136-S223 PolarHBondContact N-OG 3.24Å
137A91.9Very high97.6Very high68 Ų6843.2 Ų43.256%0.56226%0.256SS*.G310 helixtrans50.834-176.800000114.6S135 T139 Y218S135-A137 PolarHBondContact O-N 3.36Å; A137-T139 HydrophobicContact CB-CG2 4.35Å; A137-T139 PolarHBondContact O-N 2.93Å; A137-Y218 HydrophobicContact CB-CD2 3.78Å; A137-Y218 HydrophobicContact CB-CE2 4.13Å
138H94.7Very high97.5Very high131 Ų13144.8 Ų44.861%0.60627%0.269SS*.G310 helixtrans52.837.9-179.5-165.414.6000113.4S135 G136 E140S135-H138 PolarHBondContact O-N 2.86Å; S135-H138 VanDerWaalsContact O-N 3.14Å; S135-H138 WeakPolarHBondContact OG-CA 3.35Å; G136-H138 PolarHBondContact O-N 3.42Å; G136-H138 VanDerWaalsContact O-N 3.16Å; H138-E140 IonicContact CE1-OE2 2.64Å; H138-E140 PolarHBondContact CE1-OE2 3.49Å; H138-E140 IonicContact ND1-OE2 2.72Å
139T94.6Very high97.5Very high13 Ų1343.3 Ų43.38%0.0826%0.262CS..  trans-80.8-15.9-176.149.10000114.4S135 G136 A137 T216S135-T139 PolarHBondContact OG-N 2.7Å; G136-T139 WeakPolarHBondContact O-CB 3.36Å; G136-T139 VanDerWaalsContact O-CG2 3.23Å; G136-T139 WeakPolarHBondContact O-CG2 3.49Å; G136-T139 PolarHBondContact O-N 2.87Å; G136-T139 PolarHBondContact O-OG1 3.22Å; A137-T139 HydrophobicContact CB-CG2 4.35Å; A137-T139 PolarHBondContact O-N 2.93Å; T139-T216 WeakPolarHBondContact CG2-O 3.43Å
140E97.9Very high97.5Very high88 Ų8846.3 Ų46.341%0.41128%0.275SS..  trans43.853.1-179.9-59.9-179.383.900113.6S135 H138 W142S135-E140 PolarHBondContact OG-N 3.09Å; H138-E140 IonicContact CE1-OE2 2.64Å; H138-E140 PolarHBondContact CE1-OE2 3.49Å; H138-E140 IonicContact ND1-OE2 2.72Å; E140-W142 HydrophobicContact CB-CH2 4.4Å; E140-W142 HydrophobicContact CB-CZ2 3.69Å; E140-W142 HydrophobicContact CG-CH2 4.37Å; E140-W142 HydrophobicContact CG-CZ2 3.76Å; E140-W142 PolarHBondContact O-N 3.36Å
141P97.8Very high97.5Very high0 Ų051.7 Ų51.70%030%0.304CS..  trans-83.444.2-159.637.2-39.2000113Q204 H217 N220 V224P141-Q204 HydrophobicContact CB-CB 4.26Å; P141-Q204 PolarHBondContact O-N 3.44Å; P141-H217 HydrophobicContact CB-CB 3.83Å; P141-H217 VanDerWaalsContact CB-ND1 3.25Å; P141-H217 WeakPolarHBondContact CB-ND1 3.39Å; P141-N220 HydrophobicContact CB-CB 4Å; P141-N220 HydrophobicContact CG-CB 3.92Å; P141-V224 HydrophobicContact CG-CG2 4.13Å; P141-V224 WeakPolarHBondContact O-CG2 3.27Å
142W98.6Very high97.5Very high24 Ų2452.3 Ų52.39%0.09130%0.304CS..EExtended strand (participates in β ladder)trans-122.9148.9-173.641.363.6000112.5A133 E140 F144 F202 V224A133-W142 HydrophobicContact CB-CH2 3.7Å; A133-W142 HydrophobicContact CB-CZ2 4.42Å; A133-W142 HydrophobicContact CB-CZ3 3.89Å; A133-W142 VanDerWaalsContact O-CH2 3.31Å; A133-W142 WeakPolarHBondContact O-CH2 3.43Å; E140-W142 HydrophobicContact CB-CH2 4.4Å; E140-W142 HydrophobicContact CB-CZ2 3.69Å; E140-W142 HydrophobicContact CG-CH2 4.37Å; E140-W142 HydrophobicContact CG-CZ2 3.76Å; E140-W142 PolarHBondContact O-N 3.36Å; W142-F144 HydrophobicContact CB-CE2 3.97Å; W142-F144 HydrophobicContact CB-CZ 4.27Å; W142-F144 AromaticContact CD1-CE2 3.66Å; W142-F144 AromaticContact CG-CE2 3.83Å; W142-F144 HydrophobicContact CG-CE2 3.83Å; W142-F144 HydrophobicContact CG-CZ 4.31Å; W142-F202 WeakPolarHBondContact CA-O 3.42Å; W142-V224 HydrophobicContact CB-CG1 4.27Å; W142-V224 HydrophobicContact CB-CG2 4Å; W142-V224 HydrophobicContact CE3-CG2 4.29Å
143T98.7Very high97.5Very high24 Ų2447.6 Ų47.615%0.14727%0.274CS..EExtended strand (participates in β ladder)trans-135.7125166.9-660000109.5V145 F202 Q204 E264T143-V145 HydrophobicContact CG2-CG2 4.04Å; T143-F202 PolarHBondContact N-O 2.93Å; T143-F202 PolarHBondContact O-N 3.49Å; T143-Q204 PolarHBondContact OG1-NE2 3.3Å; T143-E264 PolarHBondContact OG1-OE1 2.68Å
144F98.8Very high97.5Very high35 Ų3551.1 Ų51.115%0.15429%0.289CS..EExtended strand (participates in β ladder)trans-100101.8176.9-59.3-88.7000109.2I127 A130 W142 V146 I199 I201 S227 L231I127-F144 HydrophobicContact CD1-CB 4.18Å; I127-F144 HydrophobicContact CG1-CB 4.38Å; I127-F144 HydrophobicContact CG1-CG 4.49Å; I127-F144 HydrophobicContact CG2-CB 3.89Å; I127-F144 HydrophobicContact CG2-CD1 4.5Å; I127-F144 HydrophobicContact CG2-CD2 3.74Å; I127-F144 HydrophobicContact CG2-CE2 4.44Å; I127-F144 HydrophobicContact CG2-CG 3.79Å; A130-F144 HydrophobicContact CB-CE1 4.07Å; A130-F144 HydrophobicContact CB-CE2 4.47Å; A130-F144 HydrophobicContact CB-CZ 3.77Å; W142-F144 HydrophobicContact CB-CE2 3.97Å; W142-F144 HydrophobicContact CB-CZ 4.27Å; W142-F144 AromaticContact CD1-CE2 3.66Å; W142-F144 AromaticContact CG-CE2 3.83Å; W142-F144 HydrophobicContact CG-CE2 3.83Å; W142-F144 HydrophobicContact CG-CZ 4.31Å; F144-V146 PolarHBondContact O-N 2.96Å; F144-I199 HydrophobicContact CB-CG2 4.34Å; F144-I199 HydrophobicContact CD1-CG2 4.16Å; F144-I201 HydrophobicContact CD1-CB 4.47Å; F144-I201 HydrophobicContact CD1-CG1 3.65Å; F144-I201 HydrophobicContact CD1-CG2 4.19Å; F144-I201 HydrophobicContact CE1-CG1 3.78Å; F144-I201 HydrophobicContact CE1-CG2 3.91Å; F144-I201 HydrophobicContact CZ-CG2 4.48Å; F144-S227 WeakPolarHBondContact CZ-OG 3.16Å; F144-L231 HydrophobicContact CD1-CD2 4.17Å; F144-L231 HydrophobicContact CE1-CD2 3.98Å
145V98.8Very high97.5Very high23 Ų2352.3 Ų52.314%0.13929%0.285CS..EExtended strand (participates in β ladder)trans-87.4108.8176.2-174.90000108.7T143 V147 I199 L200 F202 L258 R260T143-V145 HydrophobicContact CG2-CG2 4.04Å; V145-V147 HydrophobicContact CG1-CG2 4.11Å; V145-I199 WeakPolarHBondContact O-CA 3.4Å; V145-L200 HydrophobicContact CB-CB 4.29Å; V145-L200 PolarHBondContact N-O 3.48Å; V145-L200 PolarHBondContact O-N 3.29Å; V145-F202 HydrophobicContact CB-CE2 4.47Å; V145-F202 HydrophobicContact CG2-CD2 3.81Å; V145-F202 HydrophobicContact CG2-CE2 3.92Å; V145-L258 HydrophobicContact CG1-CD1 4.08Å; V145-L258 HydrophobicContact CG1-CD2 4.25Å; V145-R260 HydrophobicContact CG2-CG 4.2Å
146V98.7Very high97.5Very high36 Ų3651.2 Ų51.222%0.21828%0.278CS..EExtended strand (participates in β ladder)trans-94.3119.3179.1-1770000109.9I123 I127 F144 Y197 L198I123-V146 HydrophobicContact CG2-CG1 4.04Å; I123-V146 HydrophobicContact CG2-CG2 4.27Å; I127-V146 HydrophobicContact CD1-CG2 3.25Å; F144-V146 PolarHBondContact O-N 2.96Å; V146-Y197 HydrophobicContact CG1-CD1 3.59Å; V146-Y197 HydrophobicContact CG1-CE1 4.17Å; V146-Y197 HydrophobicContact CG1-CG 4.48Å; V146-L198 WeakPolarHBondContact CA-O 3.43Å
147V98.8Very high97.8Very high9 Ų952.4 Ų52.46%0.05528%0.277CS..EExtended strand (participates in β ladder)trans-117.5119.4-178.8-172.60000109.5V145 T152 K153 I156 Y197 L198 L200 L258V145-V147 HydrophobicContact CG1-CG2 4.11Å; V147-T152 HydrophobicContact CG1-CG2 3.62Å; V147-K153 HydrophobicContact CG1-CG 3.87Å; V147-I156 HydrophobicContact CB-CD1 4.45Å; V147-I156 HydrophobicContact CG1-CD1 4.22Å; V147-I156 HydrophobicContact CG2-CD1 4.13Å; V147-Y197 CarbonylContact O-C 3.5Å; V147-Y197 WeakPolarHBondContact O-CA 3.5Å; V147-L198 HydrophobicContact CB-CB 4.32Å; V147-L198 PolarHBondContact N-O 3.35Å; V147-L198 PolarHBondContact O-N 3.45Å; V147-L200 HydrophobicContact CG2-CD1 3.79Å; V147-L258 HydrophobicContact CG2-CD2 3.97Å
148S98.4Very high98.1Very high60 Ų6053.4 Ų53.442%0.4227%0.272SS..  trans-118.3-15.3170.947.60000113L150S148-L150 PolarHBondContact O-N 2.72Å
149D98.4Very high98.2Very high82 Ų8248.4 Ų48.444%0.43925%0.25SC..  trans-62.3124.8176.7174.964.2000111.5D151 T152 K153D149-D151 PolarHBondContact O-N 3.18Å; D149-T152 PolarHBondContact O-N 2.8Å; D149-T152 WeakPolarHBondContact OD2-CB 3.29Å; D149-T152 PolarHBondContact OD2-N 3.22Å; D149-T152 PolarHBondContact OD2-OG1 3.02Å; D149-K153 WeakPolarHBondContact O-CG 3.27Å; D149-K153 PolarHBondContact O-N 2.84Å
150L98.2Very high98.3Very high120 Ų12047.9 Ų47.963%0.62825%0.246SC*.Hα-helixtrans-63.7-42.7-173.3-63.4179.2000111.8S148 T152 K153 H154S148-L150 PolarHBondContact O-N 2.72Å; L150-T152 PolarHBondContact O-N 3.21Å; L150-K153 PolarHBondContact O-N 3.06Å; L150-H154 WeakPolarHBondContact O-CB 3.47Å; L150-H154 PolarHBondContact O-N 3.2Å
151D98.6Very high98.2Very high112 Ų11245.3 Ų45.360%0.59923%0.234SC*.Hα-helixtrans-65.7-40.8-179.3-72.1-13.3000111.4D149 H154 K155D149-D151 PolarHBondContact O-N 3.18Å; D151-H154 PolarHBondContact O-N 3.16Å; D151-K155 VanDerWaalsContact O-CG 3.31Å; D151-K155 WeakPolarHBondContact O-CG 3.22Å; D151-K155 PolarHBondContact O-N 3.14Å
152T98.6Very high98.1Very high36 Ų3649.5 Ų49.522%0.22125%0.254CS..Hα-helixtrans-67.7-43.4176.9-56.60000111.1V147 D149 L150 H154 K155 I156 L258V147-T152 HydrophobicContact CG1-CG2 3.62Å; D149-T152 PolarHBondContact O-N 2.8Å; D149-T152 WeakPolarHBondContact OD2-CB 3.29Å; D149-T152 PolarHBondContact OD2-N 3.22Å; D149-T152 PolarHBondContact OD2-OG1 3.02Å; L150-T152 PolarHBondContact O-N 3.21Å; T152-H154 VanDerWaalsContact C-N 3.31Å; T152-H154 PolarHBondContact O-N 2.99Å; T152-K155 PolarHBondContact O-N 3.36Å; T152-I156 HydrophobicContact CG2-CD1 4.19Å; T152-I156 VanDerWaalsContact O-CG1 3.3Å; T152-I156 WeakPolarHBondContact O-CG1 3.48Å; T152-I156 PolarHBondContact O-N 3.15Å; T152-L258 HydrophobicContact CG2-CD2 3.93Å
153K98.8Very high97.7Very high5 Ų548.3 Ų48.32%0.02225%0.249CC..Hα-helixtrans-58.1-43.3173.8-75.9-164.3-63.7160.20112V147 D149 L150 I156 R157 L192 D193 A195 L198V147-K153 HydrophobicContact CG1-CG 3.87Å; D149-K153 WeakPolarHBondContact O-CG 3.27Å; D149-K153 PolarHBondContact O-N 2.84Å; L150-K153 PolarHBondContact O-N 3.06Å; K153-I156 WeakPolarHBondContact O-CB 3.48Å; K153-I156 PolarHBondContact O-N 3.49Å; K153-R157 PolarHBondContact O-N 3.41Å; K153-L192 WeakPolarHBondContact CB-O 3.5Å; K153-D193 PolarHBondContact NZ-O 2.75Å; K153-A195 PolarHBondContact NZ-O 3.36Å; K153-L198 HydrophobicContact CB-CD1 4.17Å; K153-L198 HydrophobicContact CD-CD1 4.22Å; K153-L198 HydrophobicContact CD-CG 3.88Å; K153-L198 HydrophobicContact CG-CD1 3.75Å; K153-L198 HydrophobicContact CG-CG 3.89Å
154H98.6Very high97.3Very high84 Ų8447.9 Ų47.939%0.38925%0.246SC..Hα-helixtrans-65-41.8178.3-169.863.3000112.6L150 D151 T152 I156 R157 L158 D193L150-H154 WeakPolarHBondContact O-CB 3.47Å; L150-H154 PolarHBondContact O-N 3.2Å; D151-H154 PolarHBondContact O-N 3.16Å; T152-H154 VanDerWaalsContact C-N 3.31Å; T152-H154 PolarHBondContact O-N 2.99Å; H154-I156 VanDerWaalsContact C-N 3.33Å; H154-I156 PolarHBondContact O-N 3.07Å; H154-R157 WeakPolarHBondContact O-CB 3.39Å; H154-R157 PolarHBondContact O-N 3.23Å; H154-L158 WeakPolarHBondContact O-CG 3.46Å; H154-L158 PolarHBondContact O-N 3.01Å; H154-D193 WeakPolarHBondContact CA-OD1 3.21Å; H154-D193 WeakPolarHBondContact CB-OD1 3.06Å; H154-D193 IonicContact CE1-OD2 2.81Å; H154-D193 IonicContact CG-OD1 3.98Å; H154-D193 PolarHBondContact N-OD1 2.79Å; H154-D193 IonicContact ND1-OD1 2.9Å; H154-D193 PolarHBondContact ND1-OD1 2.76Å; H154-D193 IonicContact ND1-OD2 2.81Å; H154-D193 PolarHBondContact ND1-OD2 2.86Å; H154-D193 VanDerWaalsContact ND1-OD2 3.1Å
155K98.6Very high97Very high108 Ų10849.5 Ų49.547%0.4725%0.254SS..Hα-helixtrans-61.5-40.2173.3-71.3167.1-172.6165.70112.4D151 T152 R157 L158 I159 L257D151-K155 VanDerWaalsContact O-CG 3.31Å; D151-K155 WeakPolarHBondContact O-CG 3.22Å; D151-K155 PolarHBondContact O-N 3.14Å; T152-K155 PolarHBondContact O-N 3.36Å; K155-R157 VanDerWaalsContact C-N 3.33Å; K155-L158 PolarHBondContact O-N 3.1Å; K155-I159 WeakPolarHBondContact O-CG1 3.43Å; K155-I159 PolarHBondContact O-N 3.09Å; K155-L257 HydrophobicContact CB-CD1 4.1Å; K155-L257 HydrophobicContact CB-CD2 3.88Å; K155-L257 HydrophobicContact CD-CD1 4.02Å
156I98.5Very high96.5Very high0 Ų049.5 Ų49.50%025%0.254CS..Hα-helixtrans-60.6-46.2173.9-69.4164.8000110V147 T152 K153 H154 L158 I159 V160 L198 L200 L254 L257 L258 L269V147-I156 HydrophobicContact CB-CD1 4.45Å; V147-I156 HydrophobicContact CG1-CD1 4.22Å; V147-I156 HydrophobicContact CG2-CD1 4.13Å; T152-I156 HydrophobicContact CG2-CD1 4.19Å; T152-I156 VanDerWaalsContact O-CG1 3.3Å; T152-I156 WeakPolarHBondContact O-CG1 3.48Å; T152-I156 PolarHBondContact O-N 3.15Å; K153-I156 WeakPolarHBondContact O-CB 3.48Å; K153-I156 PolarHBondContact O-N 3.49Å; H154-I156 VanDerWaalsContact C-N 3.33Å; H154-I156 PolarHBondContact O-N 3.07Å; I156-L158 PolarHBondContact O-N 3.32Å; I156-I159 PolarHBondContact O-N 2.8Å; I156-V160 HydrophobicContact CG2-CG2 4.28Å; I156-V160 VanDerWaalsContact O-CG2 3.31Å; I156-V160 WeakPolarHBondContact O-CG2 3.23Å; I156-V160 PolarHBondContact O-N 3.03Å; I156-L198 HydrophobicContact CB-CD1 4.39Å; I156-L198 HydrophobicContact CD1-CD1 4Å; I156-L198 HydrophobicContact CG2-CD1 4.07Å; I156-L200 HydrophobicContact CD1-CD1 4.05Å; I156-L254 HydrophobicContact CB-CD2 4.12Å; I156-L254 HydrophobicContact CG1-CD2 3.92Å; I156-L254 HydrophobicContact CG2-CD2 3.84Å; I156-L257 HydrophobicContact CG1-CD2 3.65Å; I156-L258 HydrophobicContact CD1-CD2 4.35Å; I156-L269 HydrophobicContact CG2-CD1 3.9Å
157R98.3Very high95.9Very high42 Ų4247.8 Ų47.816%0.15824%0.243CC..Hα-helixtrans-56.6-50.8177.8-177.9-176.4173.8178.50.3111.7K153 H154 K155 I159 V160 E161 L192 D193K153-R157 PolarHBondContact O-N 3.41Å; H154-R157 WeakPolarHBondContact O-CB 3.39Å; H154-R157 PolarHBondContact O-N 3.23Å; K155-R157 VanDerWaalsContact C-N 3.33Å; R157-I159 VanDerWaalsContact C-N 3.32Å; R157-I159 PolarHBondContact O-N 2.86Å; R157-V160 PolarHBondContact O-N 3.46Å; R157-V160 VanDerWaalsContact O-N 3.13Å; R157-E161 HydrophobicContact CG-CG 3.96Å; R157-E161 IonicContact CZ-OE1 2.7Å; R157-E161 IonicContact NE-OE1 2.68Å; R157-E161 PolarHBondContact NE-OE1 2.84Å; R157-E161 IonicContact NE-OE2 3.8Å; R157-E161 IonicContact NH2-OE1 3.63Å; R157-E161 PolarHBondContact NH2-OE1 2.74Å; R157-E161 WeakPolarHBondContact O-CG 3.42Å; R157-E161 PolarHBondContact O-N 3.22Å; R157-L192 HydrophobicContact CB-CB 3.81Å; R157-L192 HydrophobicContact CB-CD1 4.16Å; R157-L192 HydrophobicContact CG-CB 4.09Å; R157-L192 HydrophobicContact CG-CD1 4.31Å; R157-D193 WeakPolarHBondContact CD-OD2 3.13Å; R157-D193 IonicContact CZ-OD2 3.29Å; R157-D193 IonicContact NE-OD2 2.8Å; R157-D193 IonicContact NH1-OD2 3.24Å; R157-D193 PolarHBondContact NH1-OD2 3.46Å
158L98.1Very high95.1Very high90 Ų9048.9 Ų48.947%0.47125%0.247SC..Hα-helixtrans-57.3-45.6-179.2-67.9174.9000112.1H154 K155 I156 V160 E162H154-L158 WeakPolarHBondContact O-CG 3.46Å; H154-L158 PolarHBondContact O-N 3.01Å; K155-L158 PolarHBondContact O-N 3.1Å; I156-L158 PolarHBondContact O-N 3.32Å; L158-V160 PolarHBondContact O-N 3.43Å; L158-E162 WeakPolarHBondContact O-CB 3.39Å; L158-E162 PolarHBondContact O-N 2.93Å
159I97.3Very high94.6Very high26 Ų2653.5 Ų53.513%0.13326%0.255CS..Hα-helixtrans-59.5-47.3176.1-72.6165.2000111.1K155 I156 R157 E163 C250 Q253 L254 L257K155-I159 WeakPolarHBondContact O-CG1 3.43Å; K155-I159 PolarHBondContact O-N 3.09Å; I156-I159 PolarHBondContact O-N 2.8Å; R157-I159 VanDerWaalsContact C-N 3.32Å; R157-I159 PolarHBondContact O-N 2.86Å; I159-E163 PolarHBondContact O-N 3.43Å; I159-C250 HydrophobicContact CG2-CB 4.22Å; I159-Q253 HydrophobicContact CD1-CB 4.31Å; I159-Q253 HydrophobicContact CG2-CB 3.93Å; I159-L254 HydrophobicContact CB-CD2 4.3Å; I159-L254 HydrophobicContact CD1-CD2 4.28Å; I159-L254 HydrophobicContact CG2-CD2 3.99Å; I159-L254 HydrophobicContact CG2-CG 4.06Å; I159-L257 HydrophobicContact CD1-CB 4.41Å; I159-L257 HydrophobicContact CD1-CD2 3.91Å
160V96.5Very high93.9Very high1 Ų156.2 Ų56.21%0.00627%0.265CS..Hα-helixtrans-67.1-45.3-177.7172.90000111.7I156 R157 L158 E164 K189 L192 P247 L254 L269I156-V160 HydrophobicContact CG2-CG2 4.28Å; I156-V160 VanDerWaalsContact O-CG2 3.31Å; I156-V160 WeakPolarHBondContact O-CG2 3.23Å; I156-V160 PolarHBondContact O-N 3.03Å; R157-V160 PolarHBondContact O-N 3.46Å; R157-V160 VanDerWaalsContact O-N 3.13Å; L158-V160 PolarHBondContact O-N 3.43Å; V160-E164 HydrophobicContact CG1-CG 4.06Å; V160-E164 WeakPolarHBondContact O-CB 3.35Å; V160-E164 WeakPolarHBondContact O-CG 3.46Å; V160-E164 PolarHBondContact O-N 3.43Å; V160-K189 HydrophobicContact CG1-CG 3.9Å; V160-L192 HydrophobicContact CB-CD1 3.86Å; V160-L192 HydrophobicContact CG1-CD1 3.96Å; V160-L192 HydrophobicContact CG2-CD1 4.1Å; V160-P247 HydrophobicContact CG1-CB 4.05Å; V160-P247 HydrophobicContact CG2-CB 3.98Å; V160-P247 HydrophobicContact CG2-CG 4.42Å; V160-L254 HydrophobicContact CG2-CD1 4.23Å; V160-L269 HydrophobicContact CG2-CD1 4.33Å
161E96.1Very high93.1Very high35 Ų3554.3 Ų54.316%0.16425%0.25CC..Hα-helixtrans-66-38.4-179.2-65.5-169158.400111.6R157 E165 W187 I188 K189R157-E161 HydrophobicContact CG-CG 3.96Å; R157-E161 IonicContact CZ-OE1 2.7Å; R157-E161 IonicContact NE-OE1 2.68Å; R157-E161 PolarHBondContact NE-OE1 2.84Å; R157-E161 IonicContact NE-OE2 3.8Å; R157-E161 IonicContact NH2-OE1 3.63Å; R157-E161 PolarHBondContact NH2-OE1 2.74Å; R157-E161 WeakPolarHBondContact O-CG 3.42Å; R157-E161 PolarHBondContact O-N 3.22Å; E161-E165 WeakPolarHBondContact O-CB 3.49Å; E161-E165 PolarHBondContact O-N 2.98Å; E161-W187 WeakPolarHBondContact CG-O 3.42Å; E161-I188 WeakPolarHBondContact OE1-CA 3.34Å; E161-K189 HydrophobicContact CG-CB 4.26Å; E161-K189 HydrophobicContact CG-CG 4.25Å; E161-K189 PolarHBondContact OE1-N 3.16Å
162E94.5Very high92.2Very high87 Ų8750.1 Ų50.141%0.40723%0.227SC..Hα-helixtrans-62.4-51.4176.9-169.7-168.4155.700111.6R48 L158 E165 V166R48-E162 IonicContact CZ-OE1 3.13Å; R48-E162 VanDerWaalsContact CZ-OE1 3.29Å; R48-E162 IonicContact NH1-OE1 2.98Å; R48-E162 PolarHBondContact NH1-OE1 2.98Å; R48-E162 IonicContact NH2-OE1 2.79Å; R48-E162 PolarHBondContact NH2-OE1 3.17Å; L158-E162 WeakPolarHBondContact O-CB 3.39Å; L158-E162 PolarHBondContact O-N 2.93Å; E162-E165 PolarHBondContact O-N 3.09Å; E162-V166 PolarHBondContact O-N 3.3Å
163E91.6Very high91.4Very high0 Ų050.2 Ų50.20%024%0.235CC..Hα-helixtrans-70.2-34.7-179.8-73.5-62.714700112.2R48 W50 I159 V166 N167 R171 C250R48-E163 IonicContact CZ-OE1 3.39Å; R48-E163 IonicContact NH1-OE1 2.8Å; R48-E163 PolarHBondContact NH1-OE1 2.97Å; W50-E163 WeakPolarHBondContact CZ2-OE1 3.45Å; W50-E163 PolarHBondContact NE1-OE1 3.17Å; I159-E163 PolarHBondContact O-N 3.43Å; E163-V166 PolarHBondContact O-N 2.9Å; E163-N167 WeakPolarHBondContact O-CB 3.3Å; E163-N167 PolarHBondContact O-N 3.12Å; E163-N167 PolarHBondContact O-ND2 3.43Å; E163-N167 PolarHBondContact O-OD1 3.1Å; E163-R171 IonicContact OE2-CZ 3.34Å; E163-R171 IonicContact OE2-NH1 2.71Å; E163-R171 PolarHBondContact OE2-NH1 3.22Å; E163-R171 IonicContact OE2-NH2 3.1Å; E163-R171 PolarHBondContact OE2-NH2 2.87Å; E163-C250 WeakPolarHBondContact CB-SG 3.49Å
164E90.2Very high90.6Very high14 Ų1457.1 Ų57.17%0.06527%0.272CS..Hα-helixtrans-65.2-37.5174.2-77.3-86.4-123.700111.9V160 V166 N167 Y168 W187 K189V160-E164 HydrophobicContact CG1-CG 4.06Å; V160-E164 WeakPolarHBondContact O-CB 3.35Å; V160-E164 WeakPolarHBondContact O-CG 3.46Å; V160-E164 PolarHBondContact O-N 3.43Å; E164-V166 VanDerWaalsContact C-N 3.31Å; E164-V166 PolarHBondContact O-N 3.34Å; E164-N167 PolarHBondContact O-N 2.87Å; E164-Y168 WeakPolarHBondContact O-CB 3.18Å; E164-Y168 VanDerWaalsContact O-CD2 3.29Å; E164-Y168 WeakPolarHBondContact O-CD2 3.44Å; E164-Y168 PolarHBondContact O-N 2.9Å; E164-W187 HydrophobicContact CB-CB 3.81Å; E164-K189 WeakPolarHBondContact OE1-CE 3.46Å; E164-K189 IonicContact OE1-NZ 3.07Å; E164-K189 PolarHBondContact OE1-NZ 3.21Å
165E92.2Very high89.9Confident69 Ų6961 Ų6132%0.32229%0.287SS..Hα-helixtrans-60.4-44.2173.7-178.9169.8-164.100111E161 E162 N167 R169 W187E161-E165 WeakPolarHBondContact O-CB 3.49Å; E161-E165 PolarHBondContact O-N 2.98Å; E162-E165 PolarHBondContact O-N 3.09Å; E165-N167 VanDerWaalsContact C-N 3.35Å; E165-R169 HydrophobicContact CG-CG 4.43Å; E165-R169 WeakPolarHBondContact O-CB 3.04Å; E165-R169 VanDerWaalsContact O-CG 3.27Å; E165-R169 WeakPolarHBondContact O-CG 3.32Å; E165-R169 PolarHBondContact O-N 3.27Å; E165-R169 IonicContact OE1-CZ 3.6Å; E165-R169 VanDerWaalsContact OE1-CZ 3.24Å; E165-R169 IonicContact OE1-NE 3.32Å; E165-R169 PolarHBondContact OE1-NE 2.77Å; E165-R169 IonicContact OE1-NH2 3.7Å; E165-R169 PolarHBondContact OE1-NH2 3.15Å; E165-W187 HydrophobicContact CB-CB 4.14Å; E165-W187 HydrophobicContact CB-CD2 4.38Å; E165-W187 HydrophobicContact CB-CG 3.98Å; E165-W187 HydrophobicContact CG-CD2 4.39Å; E165-W187 HydrophobicContact CG-CG 4.46Å
166V88.5Confident89.2Confident23 Ų2361.4 Ų61.414%0.13929%0.286CS..Hα-helixtrans-64.1-41.3175179.20000111.1E162 E163 E164 R169 Q170 R171E162-V166 PolarHBondContact O-N 3.3Å; E163-V166 PolarHBondContact O-N 2.9Å; E164-V166 VanDerWaalsContact C-N 3.31Å; E164-V166 PolarHBondContact O-N 3.34Å; V166-R169 PolarHBondContact O-N 2.82Å; V166-Q170 WeakPolarHBondContact O-CB 3.46Å; V166-Q170 PolarHBondContact O-N 3.19Å; V166-R171 HydrophobicContact CG1-CG 4.39Å; V166-R171 PolarHBondContact O-N 3.34Å
167N85.5Confident88.4Confident0 Ų063.7 Ų63.70%030%0.3CS..Iπ-helixtrans-60.4-50.6178.5-68.8-24.8000111.3E163 E164 E165 R169 R171 M172 L248 N249E163-N167 WeakPolarHBondContact O-CB 3.3Å; E163-N167 PolarHBondContact O-N 3.12Å; E163-N167 PolarHBondContact O-ND2 3.43Å; E163-N167 PolarHBondContact O-OD1 3.1Å; E164-N167 PolarHBondContact O-N 2.87Å; E165-N167 VanDerWaalsContact C-N 3.35Å; N167-R169 PolarHBondContact O-N 3.37Å; N167-R171 PolarHBondContact O-N 2.98Å; N167-R171 WeakPolarHBondContact OD1-CD 3.12Å; N167-R171 PolarHBondContact OD1-NH1 3.43Å; N167-M172 HydrophobicContact CB-CE 4.01Å; N167-M172 HydrophobicContact CB-CG 4.15Å; N167-M172 HydrophobicContact CB-SD 4.25Å; N167-M172 WeakPolarHBondContact O-CB 3.39Å; N167-M172 WeakPolarHBondContact O-CG 3.37Å; N167-M172 PolarHBondContact O-N 3.1Å; N167-L248 PolarHBondContact ND2-O 3.09Å; N167-L248 VanDerWaalsContact ND2-O 3.07Å; N167-N249 PolarHBondContact OD1-ND2 3.49Å
168Y82.6Confident87.7Confident33 Ų3368.6 Ų68.613%0.12932%0.324CS..Iπ-helixtrans-63.9-38.8179.5-92-99.5000112.7E164 M172 T185 W187E164-Y168 WeakPolarHBondContact O-CB 3.18Å; E164-Y168 VanDerWaalsContact O-CD2 3.29Å; E164-Y168 WeakPolarHBondContact O-CD2 3.44Å; E164-Y168 PolarHBondContact O-N 2.9Å; Y168-M172 HydrophobicContact CD2-SD 4.18Å; Y168-M172 HydrophobicContact CE2-SD 4.32Å; Y168-T185 WeakPolarHBondContact CE1-O 3.43Å; Y168-T185 VanDerWaalsContact OH-CB 3.3Å; Y168-T185 WeakPolarHBondContact OH-CB 3.33Å; Y168-T185 PolarHBondContact OH-O 2.85Å; Y168-T185 PolarHBondContact OH-OG1 2.87Å; Y168-W187 HydrophobicContact CD1-CE3 4.43Å; Y168-W187 HydrophobicContact CG-CE3 4.13Å
169R86.3Confident87Confident157 Ų15768.1 Ų68.159%0.59232%0.323SS*.Iπ-helixtrans-82.3-28.4-176.4-69.8-179-175.5-83.85.4113.9E165 V166 N167E165-R169 HydrophobicContact CG-CG 4.43Å; E165-R169 WeakPolarHBondContact O-CB 3.04Å; E165-R169 VanDerWaalsContact O-CG 3.27Å; E165-R169 WeakPolarHBondContact O-CG 3.32Å; E165-R169 PolarHBondContact O-N 3.27Å; E165-R169 IonicContact OE1-CZ 3.6Å; E165-R169 VanDerWaalsContact OE1-CZ 3.24Å; E165-R169 IonicContact OE1-NE 3.32Å; E165-R169 PolarHBondContact OE1-NE 2.77Å; E165-R169 IonicContact OE1-NH2 3.7Å; E165-R169 PolarHBondContact OE1-NH2 3.15Å; V166-R169 PolarHBondContact O-N 2.82Å; N167-R169 PolarHBondContact O-N 3.37Å
170Q84.2Confident86.5Confident139 Ų13968.3 Ų68.365%0.6532%0.324SS*.Iπ-helixtrans-136-38.7-165.6-57.1-176.413.700115V166V166-Q170 WeakPolarHBondContact O-CB 3.46Å; V166-Q170 PolarHBondContact O-N 3.19Å
171R81.1Confident85.9Confident80 Ų8071.3 Ų71.330%0.30235%0.348SS..Iπ-helixtrans-97.1-37.3-166.8-53.4-169.8-172.9125.6-12.1114.5E163 V166 N167 G173 N249E163-R171 IonicContact OE2-CZ 3.34Å; E163-R171 IonicContact OE2-NH1 2.71Å; E163-R171 PolarHBondContact OE2-NH1 3.22Å; E163-R171 IonicContact OE2-NH2 3.1Å; E163-R171 PolarHBondContact OE2-NH2 2.87Å; V166-R171 HydrophobicContact CG1-CG 4.39Å; V166-R171 PolarHBondContact O-N 3.34Å; N167-R171 PolarHBondContact O-N 2.98Å; N167-R171 WeakPolarHBondContact OD1-CD 3.12Å; N167-R171 PolarHBondContact OD1-NH1 3.43Å; R171-G173 VanDerWaalsContact C-N 3.29Å; R171-G173 PolarHBondContact O-N 3.1Å; R171-N249 WeakPolarHBondContact CD-ND2 3.43Å; R171-N249 PolarHBondContact NH1-ND2 2.71Å
172M79.8Confident85.5Confident24 Ų2478 Ų7812%0.11837%0.372CS..SBendtrans-71.2-26.1-175.4-73.7-179.1167.200112.6N167 Y168 W176 V177 L180N167-M172 HydrophobicContact CB-CE 4.01Å; N167-M172 HydrophobicContact CB-CG 4.15Å; N167-M172 HydrophobicContact CB-SD 4.25Å; N167-M172 WeakPolarHBondContact O-CB 3.39Å; N167-M172 WeakPolarHBondContact O-CG 3.37Å; N167-M172 PolarHBondContact O-N 3.1Å; Y168-M172 HydrophobicContact CD2-SD 4.18Å; Y168-M172 HydrophobicContact CE2-SD 4.32Å; M172-W176 HydrophobicContact CB-CB 4.06Å; M172-W176 HydrophobicContact CB-CD2 3.96Å; M172-W176 HydrophobicContact CB-CE3 3.82Å; M172-W176 HydrophobicContact CB-CG 4.11Å; M172-W176 HydrophobicContact CE-CH2 4.32Å; M172-W176 HydrophobicContact CE-CZ2 4Å; M172-W176 HydrophobicContact CG-CD2 3.81Å; M172-W176 HydrophobicContact CG-CE3 3.65Å; M172-W176 HydrophobicContact CG-CG 4.34Å; M172-W176 HydrophobicContact CG-CH2 4.46Å; M172-W176 HydrophobicContact CG-CZ3 4Å; M172-W176 WeakPolarHBondContact O-CB 3.4Å; M172-W176 HydrophobicContact SD-CD2 4.31Å; M172-V177 HydrophobicContact CB-CG2 4.19Å; M172-L180 HydrophobicContact SD-CD1 4Å
173G83.3Confident85.3Confident38 Ų3875.8 Ų75.839%0.39236%0.363SS..Hα-helixtrans68.5167.2-175.300000113.3R171 K175 W176 V177R171-G173 VanDerWaalsContact C-N 3.29Å; R171-G173 PolarHBondContact O-N 3.1Å; G173-K175 VanDerWaalsContact C-N 3.32Å; G173-K175 PolarHBondContact O-N 2.83Å; G173-W176 PolarHBondContact O-N 2.9Å; G173-V177 WeakPolarHBondContact O-CG2 3.31Å; G173-V177 PolarHBondContact O-N 2.87Å
174D81.7Confident85.2Confident149 Ų14986.5 Ų86.580%0.79740%0.403SS*.Hα-helixtrans-61.9-38.1-169.9-63.2-24000113.4H178D174-H178 WeakPolarHBondContact O-CB 3.42Å; D174-H178 PolarHBondContact O-N 3.44Å
175K83.6Confident85.1Confident165 Ų16587.2 Ų87.272%0.71741%0.409SS*.Hα-helixtrans-62.1-50.3-178.6-177.5-179.2176.3-175.50111.6G173 H178 D179G173-K175 VanDerWaalsContact C-N 3.32Å; G173-K175 PolarHBondContact O-N 2.83Å; K175-H178 WeakPolarHBondContact O-CB 3.39Å; K175-H178 PolarHBondContact O-N 3.24Å; K175-D179 PolarHBondContact O-N 2.81Å
176W83.4Confident85Confident117 Ų11787.4 Ų87.444%0.44341%0.412SS..Hα-helixtrans-68.2-40.4-177.7-170.5-2.7000110.7M172 G173 H178 D179 L180 L248M172-W176 HydrophobicContact CB-CB 4.06Å; M172-W176 HydrophobicContact CB-CD2 3.96Å; M172-W176 HydrophobicContact CB-CE3 3.82Å; M172-W176 HydrophobicContact CB-CG 4.11Å; M172-W176 HydrophobicContact CE-CH2 4.32Å; M172-W176 HydrophobicContact CE-CZ2 4Å; M172-W176 HydrophobicContact CG-CD2 3.81Å; M172-W176 HydrophobicContact CG-CE3 3.65Å; M172-W176 HydrophobicContact CG-CG 4.34Å; M172-W176 HydrophobicContact CG-CH2 4.46Å; M172-W176 HydrophobicContact CG-CZ3 4Å; M172-W176 WeakPolarHBondContact O-CB 3.4Å; M172-W176 HydrophobicContact SD-CD2 4.31Å; G173-W176 PolarHBondContact O-N 2.9Å; W176-H178 VanDerWaalsContact C-N 3.28Å; W176-H178 PolarHBondContact O-N 2.97Å; W176-D179 PolarHBondContact O-N 3.21Å; W176-L180 WeakPolarHBondContact O-CG 3.4Å; W176-L180 PolarHBondContact O-N 2.89Å; W176-L180 VanDerWaalsContact O-N 3.07Å; W176-L248 HydrophobicContact CH2-CD2 4.31Å; W176-L248 HydrophobicContact CZ3-CD2 4.49Å
177V81.8Confident85.1Confident49 Ų4990.3 Ų90.330%0.29742%0.42SS..Hα-helixtrans-58.4-41.9174174.20000111.2M172 G173 L180 A181M172-V177 HydrophobicContact CB-CG2 4.19Å; G173-V177 WeakPolarHBondContact O-CG2 3.31Å; G173-V177 PolarHBondContact O-N 2.87Å; V177-L180 PolarHBondContact O-N 3.47Å; V177-A181 PolarHBondContact O-N 3.27Å
178H82.8Confident85.6Confident144 Ų14494.5 Ų94.567%0.66744%0.442SS*.Hα-helixtrans-63-44.8175.5-17377.4000112.5D174 K175 W176 L180 A181D174-H178 WeakPolarHBondContact O-CB 3.42Å; D174-H178 PolarHBondContact O-N 3.44Å; K175-H178 WeakPolarHBondContact O-CB 3.39Å; K175-H178 PolarHBondContact O-N 3.24Å; W176-H178 VanDerWaalsContact C-N 3.28Å; W176-H178 PolarHBondContact O-N 2.97Å; H178-L180 PolarHBondContact O-N 3.41Å; H178-A181 VanDerWaalsContact O-CB 3.28Å; H178-A181 WeakPolarHBondContact O-CB 3.4Å; H178-A181 PolarHBondContact O-N 3.25Å; H178-A181 VanDerWaalsContact O-N 3.07Å
179D85.2Confident86.3Confident81 Ų8193.5 Ų93.543%0.43344%0.438SS..Hα-helixtrans-61.5-29.4178.4-71.8-25.1000112.7K175 W176 R182K175-D179 PolarHBondContact O-N 2.81Å; W176-D179 PolarHBondContact O-N 3.21Å; D179-R182 PolarHBondContact O-NE 3.33Å
180L86.4Confident86.8Confident30 Ų3091.9 Ų91.916%0.15744%0.437CS..Hα-helixtrans-82.2-19.9176.5-66.7177.2000113.7M172 W176 V177 H178 R182 L183 R184M172-L180 HydrophobicContact SD-CD1 4Å; W176-L180 WeakPolarHBondContact O-CG 3.4Å; W176-L180 PolarHBondContact O-N 2.89Å; W176-L180 VanDerWaalsContact O-N 3.07Å; V177-L180 PolarHBondContact O-N 3.47Å; H178-L180 PolarHBondContact O-N 3.41Å; L180-R182 PolarHBondContact O-N 2.92Å; L180-R182 VanDerWaalsContact O-N 3.15Å; L180-L183 HydrophobicContact CD2-CD1 3.93Å; L180-L183 WeakPolarHBondContact O-CA 3.3Å; L180-L183 WeakPolarHBondContact O-CB 3.39Å; L180-L183 PolarHBondContact O-N 3.16Å; L180-R184 PolarHBondContact O-N 2.75Å
181A83.7Confident87.4Confident63 Ų6386.3 Ų86.352%0.52141%0.41SS..Hα-helixtrans-56.1-38.4-174.200000112.7V177 H178 L183 R184V177-A181 PolarHBondContact O-N 3.27Å; H178-A181 VanDerWaalsContact O-CB 3.28Å; H178-A181 WeakPolarHBondContact O-CB 3.4Å; H178-A181 PolarHBondContact O-N 3.25Å; H178-A181 VanDerWaalsContact O-N 3.07Å; A181-L183 PolarHBondContact O-N 2.8Å; A181-R184 PolarHBondContact O-N 3.24Å
182R86.6Confident88.2Confident176 Ų17682.5 Ų82.566%0.66440%0.396SS*.THydrogen-bonded Turntrans-62.9-22.5175.866.9-179175.3169.40.2114.1D179 L180D179-R182 PolarHBondContact O-NE 3.33Å; L180-R182 PolarHBondContact O-N 2.92Å; L180-R182 VanDerWaalsContact O-N 3.15Å
183L90.4Very high89.1Confident40 Ų4083.2 Ų83.221%0.20940%0.4CS..THydrogen-bonded Turntrans-87-10.5177.6-53.9-178.4000112.4L180 A181 T185 P282 L284L180-L183 HydrophobicContact CD2-CD1 3.93Å; L180-L183 WeakPolarHBondContact O-CA 3.3Å; L180-L183 WeakPolarHBondContact O-CB 3.39Å; L180-L183 PolarHBondContact O-N 3.16Å; A181-L183 PolarHBondContact O-N 2.8Å; L183-T185 HydrophobicContact CB-CG2 4.02Å; L183-T185 PolarHBondContact O-N 3.25Å; L183-P282 HydrophobicContact CD2-CG 4.2Å; L183-L284 HydrophobicContact CD2-CD1 3.94Å
184R89.4Confident89.8Confident226 Ų22683.3 Ų83.385%0.85339%0.393SS*.THydrogen-bonded Turntrans52.135-176.6-56.3-179.1-177172.30.2112.9L180 A181L180-R184 PolarHBondContact O-N 2.75Å; A181-R184 PolarHBondContact O-N 3.24Å
185T88.6Confident90.6Very high29 Ų2976.2 Ų76.218%0.17836%0.355CS..  trans-86.7142.1175.551.50000110.4R111 Y168 L183R111-T185 VanDerWaalsContact NE-CG2 3.26Å; Y168-T185 WeakPolarHBondContact CE1-O 3.43Å; Y168-T185 VanDerWaalsContact OH-CB 3.3Å; Y168-T185 WeakPolarHBondContact OH-CB 3.33Å; Y168-T185 PolarHBondContact OH-O 2.85Å; Y168-T185 PolarHBondContact OH-OG1 2.87Å; L183-T185 HydrophobicContact CB-CG2 4.02Å; L183-T185 PolarHBondContact O-N 3.25Å
186N89.3Confident91.4Very high72 Ų7269.2 Ų69.239%0.38533%0.327SS..  trans-131-172170.760.629000109.3I188 K189N186-I188 VanDerWaalsContact C-N 3.29Å; N186-I188 WeakPolarHBondContact OD1-CA 3.45Å; N186-I188 WeakPolarHBondContact OD1-CB 3.26Å; N186-I188 PolarHBondContact OD1-N 2.96Å; N186-I188 PolarHBondContact OD1-O 3.44Å; N186-K189 PolarHBondContact O-NZ 3.04Å
187W92.4Very high92.1Very high84 Ų8464.8 Ų64.832%0.31831%0.31SS..SBendtrans-75.3-13.7178.153.688.1000113.8E161 E164 E165 Y168E161-W187 WeakPolarHBondContact CG-O 3.42Å; E164-W187 HydrophobicContact CB-CB 3.81Å; E165-W187 HydrophobicContact CB-CB 4.14Å; E165-W187 HydrophobicContact CB-CD2 4.38Å; E165-W187 HydrophobicContact CB-CG 3.98Å; E165-W187 HydrophobicContact CG-CD2 4.39Å; E165-W187 HydrophobicContact CG-CG 4.46Å; Y168-W187 HydrophobicContact CD1-CE3 4.43Å; Y168-W187 HydrophobicContact CG-CE3 4.13Å
188I94.9Very high92.9Very high89 Ų8962.5 Ų62.546%0.45630%0.296SS..  trans-79.4122.5179.1-54.7174.3000109.5E161 N186E161-I188 WeakPolarHBondContact OE1-CA 3.34Å; N186-I188 VanDerWaalsContact C-N 3.29Å; N186-I188 WeakPolarHBondContact OD1-CA 3.45Å; N186-I188 WeakPolarHBondContact OD1-CB 3.26Å; N186-I188 PolarHBondContact OD1-N 2.96Å; N186-I188 PolarHBondContact OD1-O 3.44Å
189K96.5Very high93.7Very high11 Ų1155.6 Ų55.65%0.04826%0.264CS..  trans-123.858.1-173.5-49.8-46.2-163.8-176.10111.5V160 E161 E164 N186 Y191 L192V160-K189 HydrophobicContact CG1-CG 3.9Å; E161-K189 HydrophobicContact CG-CB 4.26Å; E161-K189 HydrophobicContact CG-CG 4.25Å; E161-K189 PolarHBondContact OE1-N 3.16Å; E164-K189 WeakPolarHBondContact OE1-CE 3.46Å; E164-K189 IonicContact OE1-NZ 3.07Å; E164-K189 PolarHBondContact OE1-NZ 3.21Å; N186-K189 PolarHBondContact O-NZ 3.04Å; K189-Y191 HydrophobicContact CB-CE1 4.08Å; K189-Y191 HydrophobicContact CB-CE2 4.17Å; K189-Y191 HydrophobicContact CD-CE1 4.14Å; K189-Y191 WeakPolarHBondContact CD-OH 3.18Å; K189-Y191 PolarHBondContact O-N 2.93Å; K189-Y191 VanDerWaalsContact O-N 3.09Å; K189-L192 HydrophobicContact CB-CD1 3.61Å; K189-L192 HydrophobicContact CB-CG 3.87Å; K189-L192 HydrophobicContact CG-CD1 4.26Å; K189-L192 VanDerWaalsContact O-CB 3.32Å; K189-L192 WeakPolarHBondContact O-CB 3.49Å; K189-L192 WeakPolarHBondContact O-CG 3.23Å; K189-L192 PolarHBondContact O-N 3.22Å
190E96.9Very high94.3Very high123 Ų12351.8 Ų51.858%0.57524%0.244SC*.THydrogen-bonded Turntrans-52.6-34.7-178.1-174.8177.7-179.600113.9L192 D193 V194E190-L192 PolarHBondContact O-N 3.5Å; E190-D193 PolarHBondContact O-N 2.84Å; E190-V194 HydrophobicContact CG-CG2 3.87Å; E190-V194 PolarHBondContact O-N 3.2Å; E190-V194 VanDerWaalsContact O-N 3.16Å
191Y97.4Very high94.9Very high22 Ų2250.3 Ų50.39%0.08624%0.236CC..Hα-helixtrans-56.9-18.8176.257.5-105.6000114.2R111 K189 D193 A195 V243 P271R111-Y191 HydrophobicContact CB-CD1 4.39Å; R111-Y191 VanDerWaalsContact O-CD1 3.32Å; R111-Y191 WeakPolarHBondContact O-CD1 3.43Å; K189-Y191 HydrophobicContact CB-CE1 4.08Å; K189-Y191 HydrophobicContact CB-CE2 4.17Å; K189-Y191 HydrophobicContact CD-CE1 4.14Å; K189-Y191 WeakPolarHBondContact CD-OH 3.18Å; K189-Y191 PolarHBondContact O-N 2.93Å; K189-Y191 VanDerWaalsContact O-N 3.09Å; Y191-D193 VanDerWaalsContact C-N 3.34Å; Y191-A195 WeakPolarHBondContact O-CB 3.34Å; Y191-A195 PolarHBondContact O-N 3.37Å; Y191-V243 HydrophobicContact CE2-CG1 4.48Å; Y191-P271 HydrophobicContact CD2-CB 3.8Å; Y191-P271 HydrophobicContact CD2-CG 3.51Å; Y191-P271 HydrophobicContact CE2-CB 4.46Å; Y191-P271 HydrophobicContact CE2-CG 3.86Å; Y191-P271 HydrophobicContact CG-CG 4.35Å
192L98.3Very high95.6Very high1 Ų147.3 Ų47.31%0.00521%0.211CC..Hα-helixtrans-70.6-30.5175.5-64.9179.7000112.5K153 R157 V160 K189 E190 L198 L269K153-L192 WeakPolarHBondContact CB-O 3.5Å; R157-L192 HydrophobicContact CB-CB 3.81Å; R157-L192 HydrophobicContact CB-CD1 4.16Å; R157-L192 HydrophobicContact CG-CB 4.09Å; R157-L192 HydrophobicContact CG-CD1 4.31Å; V160-L192 HydrophobicContact CB-CD1 3.86Å; V160-L192 HydrophobicContact CG1-CD1 3.96Å; V160-L192 HydrophobicContact CG2-CD1 4.1Å; K189-L192 HydrophobicContact CB-CD1 3.61Å; K189-L192 HydrophobicContact CB-CG 3.87Å; K189-L192 HydrophobicContact CG-CD1 4.26Å; K189-L192 VanDerWaalsContact O-CB 3.32Å; K189-L192 WeakPolarHBondContact O-CB 3.49Å; K189-L192 WeakPolarHBondContact O-CG 3.23Å; K189-L192 PolarHBondContact O-N 3.22Å; E190-L192 PolarHBondContact O-N 3.5Å; L192-L198 HydrophobicContact CD2-CD1 4.19Å; L192-L198 HydrophobicContact CD2-CD2 3.97Å; L192-L269 HydrophobicContact CD2-CD1 4.13Å; L192-L269 HydrophobicContact CD2-CD2 3.44Å; L192-L269 VanDerWaalsContact CD2-CD2 3.44Å; L192-L269 HydrophobicContact CD2-CG 4.45Å
193D98.5Very high96.1Very high39 Ų3939.6 Ų39.621%0.20918%0.182CC..Hα-helixtrans-85.2-42.2172-78-25.1000111.2K153 H154 R157 E190 Y191K153-D193 PolarHBondContact NZ-O 2.75Å; H154-D193 WeakPolarHBondContact CA-OD1 3.21Å; H154-D193 WeakPolarHBondContact CB-OD1 3.06Å; H154-D193 IonicContact CE1-OD2 2.81Å; H154-D193 IonicContact CG-OD1 3.98Å; H154-D193 PolarHBondContact N-OD1 2.79Å; H154-D193 IonicContact ND1-OD1 2.9Å; H154-D193 PolarHBondContact ND1-OD1 2.76Å; H154-D193 IonicContact ND1-OD2 2.81Å; H154-D193 PolarHBondContact ND1-OD2 2.86Å; H154-D193 VanDerWaalsContact ND1-OD2 3.1Å; R157-D193 WeakPolarHBondContact CD-OD2 3.13Å; R157-D193 IonicContact CZ-OD2 3.29Å; R157-D193 IonicContact NE-OD2 2.8Å; R157-D193 IonicContact NH1-OD2 3.24Å; R157-D193 PolarHBondContact NH1-OD2 3.46Å; E190-D193 PolarHBondContact O-N 2.84Å; Y191-D193 VanDerWaalsContact C-N 3.34Å
194V98.4Very high96.4Very high40 Ų4039.5 Ų39.524%0.24218%0.181CC..Hα-helixtrans-74.2-41.6-169.9-178.40000112.7I113 P115 E190I113-V194 WeakPolarHBondContact O-CG1 3.47Å; P115-V194 WeakPolarHBondContact CA-O 3.37Å; P115-V194 HydrophobicContact CB-CG1 4.04Å; P115-V194 HydrophobicContact CG-CG1 4.36Å; E190-V194 HydrophobicContact CG-CG2 3.87Å; E190-V194 PolarHBondContact O-N 3.2Å; E190-V194 VanDerWaalsContact O-N 3.16Å
195A98.7Very high96.7Very high0 Ų029.7 Ų29.70%015%0.146CC..SBendtrans-60.3135.2-175.900000111.5I113 K153 Y191 Y197 L198 P271I113-A195 HydrophobicContact CB-CB 4.28Å; I113-A195 HydrophobicContact CD1-CB 4.14Å; I113-A195 HydrophobicContact CG2-CB 3.74Å; K153-A195 PolarHBondContact NZ-O 3.36Å; Y191-A195 WeakPolarHBondContact O-CB 3.34Å; Y191-A195 PolarHBondContact O-N 3.37Å; A195-Y197 PolarHBondContact O-N 3.04Å; A195-L198 HydrophobicContact CB-CD2 4.36Å; A195-P271 HydrophobicContact CB-CB 3.83Å
196P98.6Very high96.9Very high17 Ų1731.5 Ų31.511%0.1115%0.15CC..SBendtrans-62.7-29.5-177.824.3-34.9000112.7S114 V118 V272S114-P196 WeakPolarHBondContact O-CD 3.25Å; V118-P196 HydrophobicContact CB-CG 4.47Å; V118-P196 HydrophobicContact CG2-CG 3.92Å; P196-V272 VanDerWaalsContact CD-O 3.24Å; P196-V272 WeakPolarHBondContact CD-O 3.39Å; P196-V272 VanDerWaalsContact CG-O 3.31Å; P196-V272 WeakPolarHBondContact CG-O 3.33Å
197Y98.9Very high96.9Very high25 Ų2528.4 Ų28.410%0.09814%0.135CC..EExtended strand (participates in β ladder)trans-132.3142.3174.8-64.4-83.8000111.9V118 I123 V146 V147 A195 V272V118-Y197 HydrophobicContact CB-CD2 4.26Å; V118-Y197 HydrophobicContact CB-CE2 3.99Å; V118-Y197 WeakPolarHBondContact O-CE2 3.39Å; V118-Y197 PolarHBondContact O-OH 3.16Å; I123-Y197 HydrophobicContact CD1-CD2 3.89Å; I123-Y197 HydrophobicContact CD1-CE2 4.32Å; I123-Y197 HydrophobicContact CD1-CG 4.32Å; I123-Y197 HydrophobicContact CG1-CD1 4.44Å; I123-Y197 HydrophobicContact CG1-CD2 3.68Å; I123-Y197 HydrophobicContact CG1-CE1 4.44Å; I123-Y197 HydrophobicContact CG1-CE2 3.69Å; I123-Y197 HydrophobicContact CG1-CG 4.07Å; V146-Y197 HydrophobicContact CG1-CD1 3.59Å; V146-Y197 HydrophobicContact CG1-CE1 4.17Å; V146-Y197 HydrophobicContact CG1-CG 4.48Å; V147-Y197 CarbonylContact O-C 3.5Å; V147-Y197 WeakPolarHBondContact O-CA 3.5Å; A195-Y197 PolarHBondContact O-N 3.04Å; Y197-V272 PolarHBondContact N-O 3.49Å; Y197-V272 PolarHBondContact O-N 2.97Å
198L98.9Very high96.8Very high0 Ų029.6 Ų29.60%015%0.146CC..EExtended strand (participates in β ladder)trans-106.9131.8157.6-50.5-177.9000108.3V146 V147 K153 I156 L192 A195 L200 L270 P271V146-L198 WeakPolarHBondContact CA-O 3.43Å; V147-L198 HydrophobicContact CB-CB 4.32Å; V147-L198 PolarHBondContact N-O 3.35Å; V147-L198 PolarHBondContact O-N 3.45Å; K153-L198 HydrophobicContact CB-CD1 4.17Å; K153-L198 HydrophobicContact CD-CD1 4.22Å; K153-L198 HydrophobicContact CD-CG 3.88Å; K153-L198 HydrophobicContact CG-CD1 3.75Å; K153-L198 HydrophobicContact CG-CG 3.89Å; I156-L198 HydrophobicContact CB-CD1 4.39Å; I156-L198 HydrophobicContact CD1-CD1 4Å; I156-L198 HydrophobicContact CG2-CD1 4.07Å; L192-L198 HydrophobicContact CD2-CD1 4.19Å; L192-L198 HydrophobicContact CD2-CD2 3.97Å; A195-L198 HydrophobicContact CB-CD2 4.36Å; L198-L200 HydrophobicContact CB-CD1 4.08Å; L198-L270 WeakPolarHBondContact CA-O 3.2Å; L198-P271 HydrophobicContact CD2-CB 3.76Å
199I98.8Very high96.3Very high0 Ų025.9 Ų25.90%013%0.128CC..EExtended strand (participates in β ladder)trans-110.2110.1170.6-51.7179.9000107.3I123 I127 F144 V145 I201 L231 L270 V272I123-I199 HydrophobicContact CG2-CD1 4.3Å; I127-I199 HydrophobicContact CD1-CD1 4.33Å; I127-I199 HydrophobicContact CG1-CD1 4.44Å; F144-I199 HydrophobicContact CB-CG2 4.34Å; F144-I199 HydrophobicContact CD1-CG2 4.16Å; V145-I199 WeakPolarHBondContact O-CA 3.4Å; I199-I201 HydrophobicContact CG2-CD1 4.14Å; I199-I201 HydrophobicContact CG2-CG1 4.18Å; I199-L231 HydrophobicContact CG2-CD2 4.36Å; I199-L270 HydrophobicContact CB-CB 4.34Å; I199-L270 PolarHBondContact N-O 2.93Å; I199-L270 PolarHBondContact O-N 2.99Å; I199-V272 HydrophobicContact CD1-CG2 3.83Å; I199-V272 HydrophobicContact CG1-CG2 4.06Å
200L98.7Very high95.8Very high0 Ų031.2 Ų31.20%016%0.163CC..EExtended strand (participates in β ladder)trans-97.8116.4173.2-62.693.3000108.3V145 V147 I156 L198 F202 L254 L258 L266 L269V145-L200 HydrophobicContact CB-CB 4.29Å; V145-L200 PolarHBondContact N-O 3.48Å; V145-L200 PolarHBondContact O-N 3.29Å; V147-L200 HydrophobicContact CG2-CD1 3.79Å; I156-L200 HydrophobicContact CD1-CD1 4.05Å; L198-L200 HydrophobicContact CB-CD1 4.08Å; L200-F202 HydrophobicContact CB-CD2 4.31Å; L200-F202 HydrophobicContact CB-CE2 3.77Å; L200-L254 HydrophobicContact CD2-CD1 4.29Å; L200-L258 HydrophobicContact CB-CD1 4.41Å; L200-L258 HydrophobicContact CD1-CD1 4.04Å; L200-L258 HydrophobicContact CD2-CD1 3.68Å; L200-L258 HydrophobicContact CG-CD1 4.25Å; L200-L266 HydrophobicContact CB-CD1 3.88Å; L200-L266 HydrophobicContact CD2-CD1 4.06Å; L200-L266 HydrophobicContact CG-CD1 4.43Å; L200-L269 HydrophobicContact CD2-CD1 4.05Å; L200-L269 HydrophobicContact CD2-CG 4.31Å; L200-L269 HydrophobicContact CG-CD1 4.36Å; L200-L269 HydrophobicContact CG-CG 4.1Å
201I98.7Very high95.2Very high0 Ų029.8 Ų29.80%016%0.16CC..EExtended strand (participates in β ladder)trans-96.5115.1-178.9-53.695000108.2F144 I199 V224 L231 L267 M268 L270F144-I201 HydrophobicContact CD1-CB 4.47Å; F144-I201 HydrophobicContact CD1-CG1 3.65Å; F144-I201 HydrophobicContact CD1-CG2 4.19Å; F144-I201 HydrophobicContact CE1-CG1 3.78Å; F144-I201 HydrophobicContact CE1-CG2 3.91Å; F144-I201 HydrophobicContact CZ-CG2 4.48Å; I199-I201 HydrophobicContact CG2-CD1 4.14Å; I199-I201 HydrophobicContact CG2-CG1 4.18Å; I201-V224 HydrophobicContact CG2-CG1 3.48Å; I201-V224 VanDerWaalsContact CG2-CG1 3.48Å; I201-L231 HydrophobicContact CD1-CD2 4.34Å; I201-L231 HydrophobicContact CG1-CD2 4.41Å; I201-L267 PolarHBondContact O-N 3.13Å; I201-M268 HydrophobicContact CD1-CB 3.91Å; I201-M268 PolarHBondContact N-O 2.83Å; I201-M268 PolarHBondContact O-N 2.99Å; I201-L270 HydrophobicContact CD1-CD1 3.7Å; I201-L270 HydrophobicContact CD1-CG 3.64Å
202F98.3Very high94.6Very high0 Ų031.4 Ų31.40%018%0.183CC..EExtended strand (participates in β ladder)trans-99.7135.2174.5-73.5-102.4000109.9W142 T143 V145 L200 R255 L258 R260 E264 K265 L266W142-F202 WeakPolarHBondContact CA-O 3.42Å; T143-F202 PolarHBondContact N-O 2.93Å; T143-F202 PolarHBondContact O-N 3.49Å; V145-F202 HydrophobicContact CB-CE2 4.47Å; V145-F202 HydrophobicContact CG2-CD2 3.81Å; V145-F202 HydrophobicContact CG2-CE2 3.92Å; L200-F202 HydrophobicContact CB-CD2 4.31Å; L200-F202 HydrophobicContact CB-CE2 3.77Å; F202-R255 HydrophobicContact CE1-CB 4Å; F202-R255 HydrophobicContact CE1-CG 4.2Å; F202-L258 HydrophobicContact CE2-CD1 4.14Å; F202-L258 HydrophobicContact CZ-CD1 4.27Å; F202-R260 HydrophobicContact CD2-CG 4.45Å; F202-R260 HydrophobicContact CE1-CB 4.36Å; F202-R260 HydrophobicContact CE1-CG 4.24Å; F202-R260 HydrophobicContact CE2-CG 4.14Å; F202-R260 HydrophobicContact CZ-CG 4.04Å; F202-E264 HydrophobicContact CB-CB 4.06Å; F202-E264 HydrophobicContact CB-CG 4.28Å; F202-E264 HydrophobicContact CD1-CB 3.92Å; F202-E264 HydrophobicContact CG-CB 4.33Å; F202-K265 CarbonylContact C-O 3.58Å; F202-K265 VanDerWaalsContact CA-O 3.23Å; F202-K265 WeakPolarHBondContact CA-O 3.43Å; F202-K265 VanDerWaalsContact CD1-C 3.43Å; F202-L266 HydrophobicContact CD1-CB 4.23Å; F202-L266 HydrophobicContact CD2-CD1 4.28Å; F202-L266 HydrophobicContact CE1-CB 3.86Å; F202-L266 HydrophobicContact CE2-CD1 3.93Å; F202-L266 HydrophobicContact CZ-CB 4.15Å; F202-L266 HydrophobicContact CZ-CD1 4.06Å
203K97.6Very high94Very high13 Ų1336.7 Ų36.76%0.05721%0.205CC..EExtended strand (participates in β ladder)trans-85.9134.7163.766.6176.3-175.1173.10109.2E221 V224 E264 K265K203-E221 HydrophobicContact CD-CB 3.99Å; K203-E221 HydrophobicContact CD-CG 4.39Å; K203-E221 IonicContact NZ-OE2 2.74Å; K203-E221 PolarHBondContact NZ-OE2 3.11Å; K203-V224 HydrophobicContact CB-CB 4.23Å; K203-V224 HydrophobicContact CB-CG1 4.47Å; K203-V224 HydrophobicContact CB-CG2 3.73Å; K203-E264 WeakPolarHBondContact O-CA 3.39Å; K203-K265 HydrophobicContact CG-CB 4.15Å; K203-K265 PolarHBondContact N-O 3.49Å; K203-K265 PolarHBondContact O-N 3.28Å
204Q97.3Very high93.5Very high38 Ų3840.4 Ų40.418%0.17822%0.22CC..EExtended strand (participates in β ladder)trans-87.6110.1170.7-65.6172.9-0.800107.9P141 T143 Y206 H217 N263 E264P141-Q204 HydrophobicContact CB-CB 4.26Å; P141-Q204 PolarHBondContact O-N 3.44Å; T143-Q204 PolarHBondContact OG1-NE2 3.3Å; Q204-Y206 PolarHBondContact O-N 2.81Å; Q204-H217 WeakPolarHBondContact CB-ND1 3.25Å; Q204-H217 PolarHBondContact O-ND1 2.91Å; Q204-H217 PolarHBondContact OE1-CE1 2.91Å; Q204-H217 VanDerWaalsContact OE1-CE1 3.29Å; Q204-N263 CarbonylContact C-O 3.51Å; Q204-N263 WeakPolarHBondContact CA-O 3.41Å; Q204-E264 HydrophobicContact CG-CG 3.73Å
205T94.4Very high93Very high20 Ų2041.1 Ų41.112%0.12322%0.22CC..SBendtrans-68.2-27.9-179.456.50000112N220 N263 K265T205-N220 PolarHBondContact O-ND2 3.17Å; T205-N263 PolarHBondContact N-O 3.35Å; T205-N263 PolarHBondContact OG1-O 3.11Å; T205-K265 HydrophobicContact CG2-CD 3.83Å; T205-K265 HydrophobicContact CG2-CG 4.01Å
206Y92.3Very high92.5Very high68 Ų6842.9 Ų42.927%0.26723%0.231SC..EExtended strand (participates in β ladder)trans-150.5157.2168.555.2-88.5000109.5Q204 K214 K215 N263Q204-Y206 PolarHBondContact O-N 2.81Å; Y206-K214 HydrophobicContact CD2-CB 4.29Å; Y206-K214 HydrophobicContact CD2-CD 4.01Å; Y206-K214 HydrophobicContact CD2-CG 3.81Å; Y206-K214 HydrophobicContact CE2-CD 4.15Å; Y206-K214 HydrophobicContact CE2-CG 4.07Å; Y206-K214 HydrophobicContact CG-CD 4.31Å; Y206-K214 HydrophobicContact CG-CG 4.47Å; Y206-K215 CarbonylContact C-O 3.55Å; Y206-K215 WeakPolarHBondContact CA-O 3.4Å; Y206-K215 WeakPolarHBondContact CB-O 3.48Å; Y206-N263 HydrophobicContact CD1-CB 3.99Å; Y206-N263 HydrophobicContact CD2-CB 3.76Å; Y206-N263 HydrophobicContact CE1-CB 3.61Å; Y206-N263 HydrophobicContact CE2-CB 3.38Å; Y206-N263 HydrophobicContact CG-CB 4.05Å; Y206-N263 PolarHBondContact O-ND2 2.89Å
207G91.3Very high92.2Very high6 Ų642.6 Ų42.66%0.06223%0.228CC..EExtended strand (participates in β ladder)trans-94.3173.2170.100000111.7K214 K215 H217G207-K214 CarbonylContact O-C 3.6Å; G207-K214 WeakPolarHBondContact O-CA 3.44Å; G207-K215 PolarHBondContact N-O 3.47Å; G207-K215 PolarHBondContact O-N 3.48Å; G207-H217 VanDerWaalsContact CA-CE1 3.5Å; G207-H217 WeakPolarHBondContact CA-CE1 3.45Å; G207-H217 WeakPolarHBondContact CA-NE2 3.32Å; G207-H217 PolarHBondContact N-CE1 2.94Å; G207-H217 VanDerWaalsContact N-CE1 3.25Å; G207-H217 PolarHBondContact N-NE2 3.09Å
208I88.7Confident91.8Very high109 Ų10945.7 Ų45.756%0.55924%0.24SC*.EExtended strand (participates in β ladder)trans-126.9120.6175.6-57.2176.1000107.3
209L85.7Confident91.6Very high12 Ų1254 Ų546%0.06327%0.272CS..  trans-72.9162.2176.1-66.8176.2000110.8V70 N211 G212 K213 K215V70-L209 HydrophobicContact CB-CD1 3.99Å; V70-L209 HydrophobicContact CG1-CD1 3.79Å; L209-N211 VanDerWaalsContact CB-OD1 3.3Å; L209-N211 WeakPolarHBondContact CB-OD1 3.36Å; L209-N211 PolarHBondContact O-N 3.48Å; L209-G212 WeakPolarHBondContact O-CA 3.32Å; L209-G212 PolarHBondContact O-N 3.33Å; L209-K213 PolarHBondContact N-O 3.25Å; L209-K215 HydrophobicContact CD2-CB 4.02Å; L209-K215 HydrophobicContact CD2-CD 4.02Å; L209-K215 HydrophobicContact CD2-CG 4.31Å; L209-K215 HydrophobicContact CG-CB 4.07Å
210P84.8Confident91.3Very high122 Ų12254.5 Ų54.579%0.79228%0.275SS*.THydrogen-bonded Turntrans-55.2-27.3176.9-27.335.6000114.4G212P210-G212 PolarHBondContact O-N 3.09Å
211N84.3Confident91.2Very high94 Ų9458.1 Ų58.150%0.50329%0.292SS..THydrogen-bonded Turntrans-813.517664.718000114.1L209 K213L209-N211 VanDerWaalsContact CB-OD1 3.3Å; L209-N211 WeakPolarHBondContact CB-OD1 3.36Å; L209-N211 PolarHBondContact O-N 3.48Å; N211-K213 VanDerWaalsContact C-N 3.3Å; N211-K213 PolarHBondContact O-N 2.88Å; N211-K213 VanDerWaalsContact OD1-CB 3.25Å; N211-K213 WeakPolarHBondContact OD1-CB 3.08Å; N211-K213 WeakPolarHBondContact OD1-CG 3.3Å; N211-K213 PolarHBondContact OD1-N 2.64Å
212G85.4Confident91.2Very high55 Ų5563 Ų6357%0.56732%0.317SS*.SBendtrans81.8-2.618000000115.3L209 P210L209-G212 WeakPolarHBondContact O-CA 3.32Å; L209-G212 PolarHBondContact O-N 3.33Å; P210-G212 PolarHBondContact O-N 3.09Å
213K85.6Confident91.2Very high112 Ų11263.2 Ų63.249%0.48732%0.319SS..PPolyproline II helixtrans-81.5153.2-179.8-58.2169.699.8-175.30110.1V70 L209 N211V70-K213 HydrophobicContact CB-CD 4.5Å; V70-K213 HydrophobicContact CG2-CB 3.78Å; V70-K213 HydrophobicContact CG2-CD 3.33Å; V70-K213 HydrophobicContact CG2-CG 4.06Å; V70-K213 VanDerWaalsContact CG2-NZ 3.31Å; L209-K213 PolarHBondContact N-O 3.25Å; N211-K213 VanDerWaalsContact C-N 3.3Å; N211-K213 PolarHBondContact O-N 2.88Å; N211-K213 VanDerWaalsContact OD1-CB 3.25Å; N211-K213 WeakPolarHBondContact OD1-CB 3.08Å; N211-K213 WeakPolarHBondContact OD1-CG 3.3Å; N211-K213 PolarHBondContact OD1-N 2.64Å
214K87.8Confident91.2Very high117 Ų11762.6 Ų62.651%0.50932%0.316SS..EExtended strand (participates in β ladder)trans-72.6136.5-178.3-66.1179.6-177.1166.20110.5Y206 G207Y206-K214 HydrophobicContact CD2-CB 4.29Å; Y206-K214 HydrophobicContact CD2-CD 4.01Å; Y206-K214 HydrophobicContact CD2-CG 3.81Å; Y206-K214 HydrophobicContact CE2-CD 4.15Å; Y206-K214 HydrophobicContact CE2-CG 4.07Å; Y206-K214 HydrophobicContact CG-CD 4.31Å; Y206-K214 HydrophobicContact CG-CG 4.47Å; G207-K214 CarbonylContact O-C 3.6Å; G207-K214 WeakPolarHBondContact O-CA 3.44Å
215K87.6Confident91.3Very high55 Ų5562.9 Ų62.924%0.23932%0.322CS..EExtended strand (participates in β ladder)trans-102.1131.1167-176.1178.1-176.9174.40108.1E75 Y206 G207 L209E75-K215 IonicContact OE1-NZ 2.72Å; Y206-K215 CarbonylContact C-O 3.55Å; Y206-K215 WeakPolarHBondContact CA-O 3.4Å; Y206-K215 WeakPolarHBondContact CB-O 3.48Å; G207-K215 PolarHBondContact N-O 3.47Å; G207-K215 PolarHBondContact O-N 3.48Å; L209-K215 HydrophobicContact CD2-CB 4.02Å; L209-K215 HydrophobicContact CD2-CD 4.02Å; L209-K215 HydrophobicContact CD2-CG 4.31Å; L209-K215 HydrophobicContact CG-CB 4.07Å
216T90.1Very high91.5Very high38 Ų3865.5 Ų65.523%0.23334%0.335CS..EExtended strand (participates in β ladder)trans-78137.1178.8-66.50000111.7W69 T139 Y218W69-T216 HydrophobicContact CH2-CG2 3.49Å; W69-T216 VanDerWaalsContact CH2-CG2 3.49Å; W69-T216 WeakPolarHBondContact CH2-OG1 3.35Å; W69-T216 HydrophobicContact CZ3-CG2 3.57Å; W69-T216 WeakPolarHBondContact CZ3-OG1 3.47Å; T139-T216 WeakPolarHBondContact CG2-O 3.43Å; T216-Y218 HydrophobicContact CG2-CD1 3.88Å; T216-Y218 HydrophobicContact CG2-CD2 4.43Å; T216-Y218 HydrophobicContact CG2-CE1 3.68Å; T216-Y218 HydrophobicContact CG2-CE2 4.26Å; T216-Y218 HydrophobicContact CG2-CG 4.27Å
217H92.3Very high91.8Very high10 Ų1062.3 Ų62.35%0.04632%0.322CS..  trans-107.695.3172.9-65.9175.3000110.4P141 Q204 G207 N220P141-H217 HydrophobicContact CB-CB 3.83Å; P141-H217 VanDerWaalsContact CB-ND1 3.25Å; P141-H217 WeakPolarHBondContact CB-ND1 3.39Å; Q204-H217 WeakPolarHBondContact CB-ND1 3.25Å; Q204-H217 PolarHBondContact O-ND1 2.91Å; Q204-H217 PolarHBondContact OE1-CE1 2.91Å; Q204-H217 VanDerWaalsContact OE1-CE1 3.29Å; G207-H217 VanDerWaalsContact CA-CE1 3.5Å; G207-H217 WeakPolarHBondContact CA-CE1 3.45Å; G207-H217 WeakPolarHBondContact CA-NE2 3.32Å; G207-H217 PolarHBondContact N-CE1 2.94Å; G207-H217 VanDerWaalsContact N-CE1 3.25Å; G207-H217 PolarHBondContact N-NE2 3.09Å; H217-N220 HydrophobicContact CB-CB 3.9Å; H217-N220 PolarHBondContact O-ND2 2.81Å; H217-N220 VanDerWaalsContact O-ND2 3.1Å
218Y88.9Confident92.1Very high90 Ų9062 Ų6235%0.35332%0.319SS..THydrogen-bonded Turntrans-66.3133.2-179.9-54.2-80.4000111.3I61 W69 A137 T216 N220I61-Y218 HydrophobicContact CD1-CD1 4.07Å; I61-Y218 HydrophobicContact CD1-CE1 4.22Å; W69-Y218 HydrophobicContact CH2-CE1 4.47Å; W69-Y218 HydrophobicContact CZ3-CE1 4.26Å; W69-Y218 WeakPolarHBondContact CZ3-OH 3.31Å; A137-Y218 HydrophobicContact CB-CD2 3.78Å; A137-Y218 HydrophobicContact CB-CE2 4.13Å; T216-Y218 HydrophobicContact CG2-CD1 3.88Å; T216-Y218 HydrophobicContact CG2-CD2 4.43Å; T216-Y218 HydrophobicContact CG2-CE1 3.68Å; T216-Y218 HydrophobicContact CG2-CE2 4.26Å; T216-Y218 HydrophobicContact CG2-CG 4.27Å; Y218-N220 PolarHBondContact O-N 3.15Å; Y218-N220 VanDerWaalsContact O-N 3.16Å
219Y94.3Very high92.6Very high175 Ų17558.7 Ų58.769%0.68631%0.312SS*.THydrogen-bonded Turntrans50.439.6178.7-53.5-75.1000112.8E221 I222 S223Y219-E221 VanDerWaalsContact C-N 3.33Å; Y219-E221 PolarHBondContact O-N 3.41Å; Y219-I222 HydrophobicContact CD1-CD1 4.12Å; Y219-I222 PolarHBondContact O-N 3.1Å; Y219-S223 WeakPolarHBondContact O-CB 3.29Å; Y219-S223 PolarHBondContact O-N 3.15Å; Y219-S223 PolarHBondContact O-OG 2.93Å
220N94.4Very high93.3Very high10 Ų1060.3 Ų60.35%0.05332%0.32CS..Hα-helixtrans-56.1-44.7-173.955.759.1000112.5P141 T205 H217 Y218 I222 S223 V224P141-N220 HydrophobicContact CB-CB 4Å; P141-N220 HydrophobicContact CG-CB 3.92Å; T205-N220 PolarHBondContact O-ND2 3.17Å; H217-N220 HydrophobicContact CB-CB 3.9Å; H217-N220 PolarHBondContact O-ND2 2.81Å; H217-N220 VanDerWaalsContact O-ND2 3.1Å; Y218-N220 PolarHBondContact O-N 3.15Å; Y218-N220 VanDerWaalsContact O-N 3.16Å; N220-I222 PolarHBondContact O-N 2.85Å; N220-S223 PolarHBondContact O-N 3.18Å; N220-V224 WeakPolarHBondContact O-CG2 3.38Å; N220-V224 PolarHBondContact O-N 3.37Å
221E96.3Very high93.9Very high77 Ų7754.5 Ų54.536%0.3628%0.282SS..Hα-helixtrans-62.4-43.2-180-178.6165.8121.300112.7K203 Y219 S225 L267K203-E221 HydrophobicContact CD-CB 3.99Å; K203-E221 HydrophobicContact CD-CG 4.39Å; K203-E221 IonicContact NZ-OE2 2.74Å; K203-E221 PolarHBondContact NZ-OE2 3.11Å; Y219-E221 VanDerWaalsContact C-N 3.33Å; Y219-E221 PolarHBondContact O-N 3.41Å; E221-S225 VanDerWaalsContact O-CB 3.26Å; E221-S225 WeakPolarHBondContact O-CB 3.32Å; E221-S225 PolarHBondContact O-N 3.21Å; E221-S225 PolarHBondContact O-OG 3.07Å; E221-L267 HydrophobicContact CG-CD1 3.96Å
222I97.6Very high94.6Very high101 Ų10151.3 Ų51.352%0.51827%0.265SS..Hα-helixtrans-64.4-46.4176.4-65170.8000109.7Y219 N220 V224 S225 I226Y219-I222 HydrophobicContact CD1-CD1 4.12Å; Y219-I222 PolarHBondContact O-N 3.1Å; N220-I222 PolarHBondContact O-N 2.85Å; I222-V224 PolarHBondContact O-N 2.87Å; I222-S225 PolarHBondContact O-N 3.45Å; I222-I226 HydrophobicContact CG2-CD1 3.96Å; I222-I226 WeakPolarHBondContact O-CG1 3.24Å; I222-I226 PolarHBondContact O-N 3.2Å
223S98.1Very high95.3Very high5 Ų549.6 Ų49.64%0.03525%0.246CC..Hα-helixtrans-58.7-48.8179.6-570000111.3G136 Y219 N220 S225 I226 S227G136-S223 PolarHBondContact N-OG 3.24Å; Y219-S223 WeakPolarHBondContact O-CB 3.29Å; Y219-S223 PolarHBondContact O-N 3.15Å; Y219-S223 PolarHBondContact O-OG 2.93Å; N220-S223 PolarHBondContact O-N 3.18Å; S223-S225 PolarHBondContact O-N 3.07Å; S223-I226 PolarHBondContact O-N 3.26Å; S223-S227 PolarHBondContact O-N 3.24Å; S223-S227 VanDerWaalsContact O-N 3.09Å
224V98.5Very high95.9Very high0 Ų044.9 Ų44.90%023%0.227CC..Hα-helixtrans-67.3-36177.7-176.40000111.5P141 W142 I201 K203 N220 I222 I226 S227 C228 L267P141-V224 HydrophobicContact CG-CG2 4.13Å; P141-V224 WeakPolarHBondContact O-CG2 3.27Å; W142-V224 HydrophobicContact CB-CG1 4.27Å; W142-V224 HydrophobicContact CB-CG2 4Å; W142-V224 HydrophobicContact CE3-CG2 4.29Å; I201-V224 HydrophobicContact CG2-CG1 3.48Å; I201-V224 VanDerWaalsContact CG2-CG1 3.48Å; K203-V224 HydrophobicContact CB-CB 4.23Å; K203-V224 HydrophobicContact CB-CG1 4.47Å; K203-V224 HydrophobicContact CB-CG2 3.73Å; N220-V224 WeakPolarHBondContact O-CG2 3.38Å; N220-V224 PolarHBondContact O-N 3.37Å; I222-V224 PolarHBondContact O-N 2.87Å; V224-I226 PolarHBondContact O-N 2.9Å; V224-S227 WeakPolarHBondContact O-CB 3.46Å; V224-S227 PolarHBondContact O-N 3.07Å; V224-C228 PolarHBondContact O-N 3.28Å; V224-C228 PolarHBondContact O-SG 3.12Å; V224-C228 VanDerWaalsContact O-SG 3.37Å; V224-L267 HydrophobicContact CB-CD2 3.77Å; V224-L267 HydrophobicContact CG1-CD2 3.49Å; V224-L267 VanDerWaalsContact CG1-CD2 3.49Å
225S98.5Very high96.4Very high45 Ų4539.5 Ų39.532%0.31520%0.203SC..Hα-helixtrans-65.1-37.9175.9-63.60000112.8E221 I222 S223 C228 G229E221-S225 VanDerWaalsContact O-CB 3.26Å; E221-S225 WeakPolarHBondContact O-CB 3.32Å; E221-S225 PolarHBondContact O-N 3.21Å; E221-S225 PolarHBondContact O-OG 3.07Å; I222-S225 PolarHBondContact O-N 3.45Å; S223-S225 PolarHBondContact O-N 3.07Å; S225-C228 WeakPolarHBondContact O-CB 2.97Å; S225-C228 PolarHBondContact O-N 3.33Å; S225-G229 PolarHBondContact O-N 3.2Å
226I98.8Very high97Very high75 Ų7538.1 Ų38.139%0.38520%0.198SC..Hα-helixtrans-62.8-45.3172.4-67.9165.4000109.9A133 P134 I222 S223 V224 C228 G229 I230A133-I226 HydrophobicContact CB-CG2 4.36Å; P134-I226 HydrophobicContact CG-CG2 4.05Å; I222-I226 HydrophobicContact CG2-CD1 3.96Å; I222-I226 WeakPolarHBondContact O-CG1 3.24Å; I222-I226 PolarHBondContact O-N 3.2Å; S223-I226 PolarHBondContact O-N 3.26Å; V224-I226 PolarHBondContact O-N 2.9Å; I226-C228 VanDerWaalsContact C-N 3.33Å; I226-C228 PolarHBondContact O-N 3.46Å; I226-G229 WeakPolarHBondContact O-CA 3.16Å; I226-G229 PolarHBondContact O-N 3.38Å; I226-I230 PolarHBondContact O-N 2.72Å
227S98.8Very high97.4Very high0 Ų041.3 Ų41.30%021%0.214CC..Hα-helixtrans-59.1-41.7175.4-172.70000112.6A130 F144 S223 V224 G229 I230 L231A130-S227 VanDerWaalsContact C-OG 3.28Å; A130-S227 PolarHBondContact O-OG 2.82Å; F144-S227 WeakPolarHBondContact CZ-OG 3.16Å; S223-S227 PolarHBondContact O-N 3.24Å; S223-S227 VanDerWaalsContact O-N 3.09Å; V224-S227 WeakPolarHBondContact O-CB 3.46Å; V224-S227 PolarHBondContact O-N 3.07Å; S227-G229 VanDerWaalsContact C-N 3.32Å; S227-G229 PolarHBondContact O-N 3.39Å; S227-I230 PolarHBondContact O-N 2.72Å; S227-L231 PolarHBondContact O-N 2.58Å
228C98.8Very high97.7Very high1 Ų143.9 Ų43.91%0.00723%0.23CC..Hα-helixtrans-60.5-38.2171.2-71.50000112.6V224 S225 I226 I230 L231 L232 M268V224-C228 PolarHBondContact O-N 3.28Å; V224-C228 PolarHBondContact O-SG 3.12Å; V224-C228 VanDerWaalsContact O-SG 3.37Å; S225-C228 WeakPolarHBondContact O-CB 2.97Å; S225-C228 PolarHBondContact O-N 3.33Å; I226-C228 VanDerWaalsContact C-N 3.33Å; I226-C228 PolarHBondContact O-N 3.46Å; C228-I230 VanDerWaalsContact C-N 3.35Å; C228-L231 WeakPolarHBondContact O-CB 2.76Å; C228-L231 PolarHBondContact O-N 3.1Å; C228-L232 VanDerWaalsContact O-CG 3.27Å; C228-L232 WeakPolarHBondContact O-CG 2.94Å; C228-L232 PolarHBondContact O-N 3.4Å; C228-M268 HydrophobicContact CB-CE 3.87Å; C228-M268 HydrophobicContact CB-SD 3.6Å; C228-M268 VanDerWaalsContact CB-SD 3.6Å
229G98.8Very high98.2Very high38 Ų3841.9 Ų41.939%0.39224%0.236SC..Hα-helixtrans-59.9-43.8174.200000112.6S225 I226 S227 L232 A233S225-G229 PolarHBondContact O-N 3.2Å; I226-G229 WeakPolarHBondContact O-CA 3.16Å; I226-G229 PolarHBondContact O-N 3.38Å; S227-G229 VanDerWaalsContact C-N 3.32Å; S227-G229 PolarHBondContact O-N 3.39Å; G229-L232 PolarHBondContact O-N 3.14Å; G229-A233 PolarHBondContact O-N 2.77Å; G229-A233 VanDerWaalsContact O-N 3.09Å
230I98.9Very high98.4Very high46 Ų4633.7 Ų33.724%0.23621%0.205CC..Hα-helixtrans-65.9-41.9175.2-63.9173.4000110.8T129 A133 I226 S227 C228 L232 A233 S234T129-I230 HydrophobicContact CG2-CG2 3.81Å; T129-I230 VanDerWaalsContact O-CG2 3.28Å; T129-I230 WeakPolarHBondContact O-CG2 3.46Å; A133-I230 HydrophobicContact CB-CD1 3.83Å; I226-I230 PolarHBondContact O-N 2.72Å; S227-I230 PolarHBondContact O-N 2.72Å; C228-I230 VanDerWaalsContact C-N 3.35Å; I230-L232 VanDerWaalsContact C-N 3.34Å; I230-L232 PolarHBondContact O-N 3.05Å; I230-A233 PolarHBondContact O-N 3.43Å; I230-S234 WeakPolarHBondContact O-CB 3.5Å; I230-S234 PolarHBondContact O-N 2.81Å
231L98.9Very high98.6Very high0 Ų034.4 Ų34.40%021%0.209CC..Hα-helixtrans-57.8-46.2174.9-17756.7000111.6V126 I127 A130 F144 I199 I201 S227 C228 A233 S234 L235 L270V126-L231 HydrophobicContact CB-CD1 4.02Å; V126-L231 HydrophobicContact CG2-CD1 3.85Å; I127-L231 HydrophobicContact CG1-CD1 4.43Å; A130-L231 HydrophobicContact CB-CB 3.75Å; A130-L231 HydrophobicContact CB-CD1 4.23Å; A130-L231 HydrophobicContact CB-CG 4.45Å; F144-L231 HydrophobicContact CD1-CD2 4.17Å; F144-L231 HydrophobicContact CE1-CD2 3.98Å; I199-L231 HydrophobicContact CG2-CD2 4.36Å; I201-L231 HydrophobicContact CD1-CD2 4.34Å; I201-L231 HydrophobicContact CG1-CD2 4.41Å; S227-L231 PolarHBondContact O-N 2.58Å; C228-L231 WeakPolarHBondContact O-CB 2.76Å; C228-L231 PolarHBondContact O-N 3.1Å; L231-A233 VanDerWaalsContact C-N 3.33Å; L231-A233 PolarHBondContact O-N 3.07Å; L231-S234 PolarHBondContact O-N 2.81Å; L231-L235 HydrophobicContact CD1-CG 4.4Å; L231-L235 HydrophobicContact CG-CD1 4.26Å; L231-L235 WeakPolarHBondContact O-CG 3.44Å; L231-L235 PolarHBondContact O-N 3.02Å; L231-L270 HydrophobicContact CD2-CD1 3.69Å; L231-L270 HydrophobicContact CG-CD1 4.3Å
232L98.9Very high98.7Very high27 Ų2731.1 Ų31.114%0.14119%0.194CC..Hα-helixtrans-63-37.9177.9-70.3170.8000112.5C228 G229 I230 Q236 T242 L270C228-L232 VanDerWaalsContact O-CG 3.27Å; C228-L232 WeakPolarHBondContact O-CG 2.94Å; C228-L232 PolarHBondContact O-N 3.4Å; G229-L232 PolarHBondContact O-N 3.14Å; I230-L232 VanDerWaalsContact C-N 3.34Å; I230-L232 PolarHBondContact O-N 3.05Å; L232-Q236 PolarHBondContact O-N 3.42Å; L232-T242 HydrophobicContact CD2-CG2 3.5Å; L232-L270 HydrophobicContact CD2-CD1 4.38Å
233A98.9Very high98.8Very high20 Ų2026.5 Ų26.517%0.16517%0.171CC..Hα-helixtrans-67.5-42174.200000111.8M104 G229 I230 L231 Q236 N237M104-A233 HydrophobicContact CE-CB 3.78Å; M104-A233 HydrophobicContact SD-CB 3.93Å; G229-A233 PolarHBondContact O-N 2.77Å; G229-A233 VanDerWaalsContact O-N 3.09Å; I230-A233 PolarHBondContact O-N 3.43Å; L231-A233 VanDerWaalsContact C-N 3.33Å; L231-A233 PolarHBondContact O-N 3.07Å; A233-Q236 PolarHBondContact O-N 3.47Å; A233-N237 WeakPolarHBondContact O-CB 3.29Å; A233-N237 PolarHBondContact O-N 3.26Å
234S98.9Very high98.8Very high13 Ų1328.8 Ų28.89%0.09119%0.185CC..Hα-helixtrans-65-42.9178.6-162.70000111.8V126 T129 I230 L231 Q236 N237 V238V126-S234 WeakPolarHBondContact CA-OG 3.28Å; V126-S234 WeakPolarHBondContact CG1-OG 3.31Å; T129-S234 PolarHBondContact OG1-OG 3.33Å; I230-S234 WeakPolarHBondContact O-CB 3.5Å; I230-S234 PolarHBondContact O-N 2.81Å; L231-S234 PolarHBondContact O-N 2.81Å; S234-Q236 PolarHBondContact O-N 3.35Å; S234-N237 WeakPolarHBondContact O-CB 3.28Å; S234-N237 PolarHBondContact O-N 3.19Å; S234-V238 WeakPolarHBondContact O-CG2 3.45Å; S234-V238 PolarHBondContact O-N 3.39Å; S234-V238 VanDerWaalsContact O-N 3.09Å
235L98.9Very high98.5Very high3 Ų329.4 Ų29.42%0.01619%0.189CC..Hα-helixtrans-58-47.5173.2-73.7171.5000112.3V126 L231 N237 V238 G239 L240 T242 V272V126-L235 HydrophobicContact CG1-CD2 4.45Å; V126-L235 HydrophobicContact CG2-CD2 3.99Å; L231-L235 HydrophobicContact CD1-CG 4.4Å; L231-L235 HydrophobicContact CG-CD1 4.26Å; L231-L235 WeakPolarHBondContact O-CG 3.44Å; L231-L235 PolarHBondContact O-N 3.02Å; L235-N237 VanDerWaalsContact C-N 3.3Å; L235-N237 PolarHBondContact O-N 3.18Å; L235-V238 WeakPolarHBondContact O-CG2 3.37Å; L235-V238 PolarHBondContact O-N 2.98Å; L235-G239 PolarHBondContact O-N 2.9Å; L235-L240 CarbonylContact C-O 3.59Å; L235-L240 HydrophobicContact CD2-CB 4.11Å; L235-L240 HydrophobicContact CD2-CD1 4.06Å; L235-L240 PolarHBondContact O-N 2.79Å; L235-T242 HydrophobicContact CD1-CG2 3.86Å; L235-V272 HydrophobicContact CD1-CG2 4.07Å; L235-V272 HydrophobicContact CD2-CG1 3.59Å; L235-V272 HydrophobicContact CD2-CG2 4.3Å
236Q98.9Very high98Very high26 Ų2631.8 Ų31.812%0.12120%0.202CC..Hα-helixtrans-60.2-41.9176.2178.763.428.800111.5L103 M104 R107 L232 A233 S234 V238 G239L103-Q236 HydrophobicContact CD1-CG 4.22Å; L103-Q236 HydrophobicContact CG-CG 4.21Å; L103-Q236 PolarHBondContact O-NE2 2.94Å; M104-Q236 HydrophobicContact SD-CB 4.2Å; M104-Q236 HydrophobicContact SD-CG 4.14Å; R107-Q236 VanDerWaalsContact CA-OE1 3.3Å; R107-Q236 HydrophobicContact CB-CB 4.41Å; R107-Q236 HydrophobicContact CB-CG 3.99Å; R107-Q236 HydrophobicContact CG-CB 4.26Å; R107-Q236 HydrophobicContact CG-CG 4.36Å; L232-Q236 PolarHBondContact O-N 3.42Å; A233-Q236 PolarHBondContact O-N 3.47Å; S234-Q236 PolarHBondContact O-N 3.35Å; Q236-V238 VanDerWaalsContact C-N 3.31Å; Q236-V238 PolarHBondContact O-N 2.8Å; Q236-G239 PolarHBondContact O-N 3.13Å
237N98.9Very high97.2Very high106 Ų10628.5 Ų28.557%0.56719%0.186SC*.Hα-helixtrans-63.6-35.1-179.1178.875.9000113L103 A233 S234 L235 G239L103-N237 HydrophobicContact CD2-CB 4.32Å; A233-N237 WeakPolarHBondContact O-CB 3.29Å; A233-N237 PolarHBondContact O-N 3.26Å; S234-N237 WeakPolarHBondContact O-CB 3.28Å; S234-N237 PolarHBondContact O-N 3.19Å; L235-N237 VanDerWaalsContact C-N 3.3Å; L235-N237 PolarHBondContact O-N 3.18Å; N237-G239 VanDerWaalsContact C-N 3.31Å
238V98.7Very high96.3Very high63 Ų6330.7 Ų30.738%0.38220%0.197SC..THydrogen-bonded Turntrans-89.35.9178.3-57.10000113.6V122 V126 S234 L235 Q236 L240V122-V238 HydrophobicContact CG1-CB 4.08Å; V122-V238 HydrophobicContact CG1-CG1 4.4Å; V122-V238 HydrophobicContact CG1-CG2 3.78Å; V126-V238 HydrophobicContact CG1-CG1 4.17Å; V126-V238 HydrophobicContact CG1-CG2 3.83Å; S234-V238 WeakPolarHBondContact O-CG2 3.45Å; S234-V238 PolarHBondContact O-N 3.39Å; S234-V238 VanDerWaalsContact O-N 3.09Å; L235-V238 WeakPolarHBondContact O-CG2 3.37Å; L235-V238 PolarHBondContact O-N 2.98Å; Q236-V238 VanDerWaalsContact C-N 3.31Å; Q236-V238 PolarHBondContact O-N 2.8Å; V238-L240 HydrophobicContact CG2-CB 4.33Å; V238-L240 HydrophobicContact CG2-CD1 3.93Å; V238-L240 HydrophobicContact CG2-CG 3.97Å
239G98.6Very high95.6Very high48 Ų4830.9 Ų30.950%0.49520%0.198SC..THydrogen-bonded Turntrans8018.6176.500000115.2L235 Q236 N237L235-G239 PolarHBondContact O-N 2.9Å; Q236-G239 PolarHBondContact O-N 3.13Å; N237-G239 VanDerWaalsContact C-N 3.31Å
240L98.9Very high95.2Very high4 Ų429 Ų292%0.02118%0.179CC..  trans-98.5156.4175.6-63.7176.2000111.4V118 V122 I123 L235 V238 V272 Y274V118-L240 HydrophobicContact CG1-CD1 3.74Å; V118-L240 HydrophobicContact CG1-CD2 4.09Å; V118-L240 HydrophobicContact CG2-CD2 3.65Å; V122-L240 HydrophobicContact CG1-CD1 4.01Å; I123-L240 HydrophobicContact CD1-CD1 4.2Å; L235-L240 CarbonylContact C-O 3.59Å; L235-L240 HydrophobicContact CD2-CB 4.11Å; L235-L240 HydrophobicContact CD2-CD1 4.06Å; L235-L240 PolarHBondContact O-N 2.79Å; V238-L240 HydrophobicContact CG2-CB 4.33Å; V238-L240 HydrophobicContact CG2-CD1 3.93Å; V238-L240 HydrophobicContact CG2-CG 3.97Å; L240-V272 HydrophobicContact CB-CG1 4.37Å; L240-V272 HydrophobicContact CD1-CG1 3.97Å; L240-Y274 HydrophobicContact CD2-CD1 4.06Å; L240-Y274 HydrophobicContact CD2-CE1 3.9Å; L240-Y274 HydrophobicContact CD2-CG 4.47Å
241V98.9Very high94.7Very high24 Ų2427.1 Ų27.115%0.14517%0.17CC..BIsolated β-bridgetrans-119.7158.1177.9-580000111.5V110 G273 P275V110-V241 HydrophobicContact CB-CB 3.96Å; V110-V241 HydrophobicContact CB-CG2 3.86Å; V110-V241 HydrophobicContact CG1-CG2 4.04Å; V110-V241 HydrophobicContact CG2-CB 3.86Å; V110-V241 HydrophobicContact CG2-CG1 4.03Å; V110-V241 HydrophobicContact CG2-CG2 4.17Å; V241-G273 WeakPolarHBondContact CG2-O 3.39Å; V241-G273 PolarHBondContact N-O 3.34Å; V241-G273 PolarHBondContact O-N 3.47Å; V241-P275 HydrophobicContact CG1-CB 4.46Å; V241-P275 HydrophobicContact CG1-CG 4.39Å; V241-P275 HydrophobicContact CG2-CB 4.04Å
242T98.9Very high94.5Very high8 Ų827.5 Ų27.55%0.04917%0.173CC..BIsolated β-bridgetrans-156174.1173.7-169.40000110.4S109 V110 L232 L235 L270 P271S109-T242 WeakPolarHBondContact CA-O 3.07Å; V110-T242 PolarHBondContact N-O 3.06Å; L232-T242 HydrophobicContact CD2-CG2 3.5Å; L235-T242 HydrophobicContact CD1-CG2 3.86Å; T242-L270 HydrophobicContact CG2-CD2 4.5Å; T242-L270 WeakPolarHBondContact OG1-CB 3.47Å; T242-P271 VanDerWaalsContact CA-O 3.29Å; T242-P271 WeakPolarHBondContact CA-O 3.35Å; T242-P271 WeakPolarHBondContact CB-O 3.35Å; T242-P271 PolarHBondContact OG1-O 3.47Å
243V98.6Very high94.3Very high5 Ų528.3 Ų28.33%0.0318%0.176CC..  trans-126.7126164.451.50000108.2V110 R111 Y191 S245 P271V110-V243 WeakPolarHBondContact O-CB 3.14Å; V110-V243 WeakPolarHBondContact O-CG1 3.4Å; R111-V243 HydrophobicContact CG-CB 4.24Å; R111-V243 HydrophobicContact CG-CG1 4.16Å; R111-V243 HydrophobicContact CG-CG2 4.15Å; Y191-V243 HydrophobicContact CE2-CG1 4.48Å; V243-S245 PolarHBondContact O-N 3.22Å; V243-S245 VanDerWaalsContact O-N 3.12Å; V243-P271 HydrophobicContact CG1-CG 3.7Å; V243-P271 WeakPolarHBondContact O-CD 3.2Å
244T98.1Very high94.2Very high52 Ų5227.4 Ų27.432%0.31917%0.168SC..  trans-65.5113170-50.90000109.3M268 L270T244-M268 HydrophobicContact CG2-CG 4.12Å; T244-M268 HydrophobicContact CG2-SD 3.56Å; T244-M268 VanDerWaalsContact CG2-SD 3.56Å; T244-L270 HydrophobicContact CG2-CD2 4.27Å
245S93.3Very high94.1Very high13 Ų1329 Ų299%0.09117%0.172CC..BIsolated β-bridgetrans-113.2138.2173.9-172.70000110.1V243 L269V243-S245 PolarHBondContact O-N 3.22Å; V243-S245 VanDerWaalsContact O-N 3.12Å; S245-L269 WeakPolarHBondContact CB-O 3.17Å; S245-L269 PolarHBondContact N-O 2.82Å; S245-L269 VanDerWaalsContact N-O 3.1Å; S245-L269 PolarHBondContact O-N 2.91Å
246T87Confident94.1Very high96 Ų9634.3 Ų34.359%0.58920%0.2SC*.  trans-120.282.517353.70000107.1L248T246-L248 VanDerWaalsContact C-N 3.3Å; T246-L248 PolarHBondContact O-N 3.46Å
247P82.4Confident94Very high6 Ų635.6 Ų35.64%0.03921%0.208CC..  trans-70.290.4-174.830.8-35.4000109.4V160 N249 C250 L254 L266 L269V160-P247 HydrophobicContact CG1-CB 4.05Å; V160-P247 HydrophobicContact CG2-CB 3.98Å; V160-P247 HydrophobicContact CG2-CG 4.42Å; P247-N249 PolarHBondContact O-N 2.89Å; P247-C250 HydrophobicContact CB-CB 3.9Å; P247-C250 HydrophobicContact CG-CB 4.18Å; P247-C250 VanDerWaalsContact O-CB 3.27Å; P247-C250 WeakPolarHBondContact O-CB 3.02Å; P247-C250 PolarHBondContact O-N 3.07Å; P247-C250 VanDerWaalsContact O-N 3.11Å; P247-L254 HydrophobicContact CG-CD1 4.18Å; P247-L266 HydrophobicContact CG-CD2 3.83Å; P247-L269 HydrophobicContact CG-CB 4.32Å; P247-L269 HydrophobicContact CG-CD1 4.39Å
248L79.9Confident94Very high46 Ų4631.8 Ų31.824%0.24119%0.187CC..THydrogen-bonded Turntrans-57.8133.4-174.9-174.473.5000110.1L55 N167 W176 T246 C250L55-L248 HydrophobicContact CD2-CD1 4.31Å; N167-L248 PolarHBondContact ND2-O 3.09Å; N167-L248 VanDerWaalsContact ND2-O 3.07Å; W176-L248 HydrophobicContact CH2-CD2 4.31Å; W176-L248 HydrophobicContact CZ3-CD2 4.49Å; T246-L248 VanDerWaalsContact C-N 3.3Å; T246-L248 PolarHBondContact O-N 3.46Å; L248-C250 PolarHBondContact O-N 3.07Å
249N85.3Confident94Very high4 Ų437.6 Ų37.62%0.02121%0.207CC..THydrogen-bonded Turntrans70.25.3-178.6-51.5-52.1000115.2W50 A51 D54 N167 R171 P247W50-N249 VanDerWaalsContact CD1-O 3.27Å; A51-N249 HydrophobicContact CB-CB 4.32Å; A51-N249 PolarHBondContact O-OD1 2.89Å; D54-N249 VanDerWaalsContact OD2-C 3.28Å; D54-N249 WeakPolarHBondContact OD2-CA 3.18Å; D54-N249 PolarHBondContact OD2-N 2.98Å; D54-N249 VanDerWaalsContact OD2-N 3.12Å; N167-N249 PolarHBondContact OD1-ND2 3.49Å; R171-N249 WeakPolarHBondContact CD-ND2 3.43Å; R171-N249 PolarHBondContact NH1-ND2 2.71Å; P247-N249 PolarHBondContact O-N 2.89Å
250C89.9Confident93.9Very high0 Ų038.8 Ų38.80%020%0.197CC..  trans-90.8-12.6175.6-58.70000112.7D54 I159 E163 P247 L248 Q253 L254D54-C250 PolarHBondContact OD2-N 3.01Å; I159-C250 HydrophobicContact CG2-CB 4.22Å; E163-C250 WeakPolarHBondContact CB-SG 3.49Å; P247-C250 HydrophobicContact CB-CB 3.9Å; P247-C250 HydrophobicContact CG-CB 4.18Å; P247-C250 VanDerWaalsContact O-CB 3.27Å; P247-C250 WeakPolarHBondContact O-CB 3.02Å; P247-C250 PolarHBondContact O-N 3.07Å; P247-C250 VanDerWaalsContact O-N 3.11Å; L248-C250 PolarHBondContact O-N 3.07Å; C250-Q253 PolarHBondContact O-N 3.24Å; C250-L254 HydrophobicContact CB-CD1 3.59Å; C250-L254 HydrophobicContact CB-CG 4.08Å; C250-L254 WeakPolarHBondContact O-CB 3.45Å; C250-L254 VanDerWaalsContact O-CG 3.29Å; C250-L254 WeakPolarHBondContact O-CG 3.35Å; C250-L254 PolarHBondContact O-N 3.13Å
251G88.8Confident93.8Very high5 Ų541.1 Ų41.15%0.05221%0.212CC..Hα-helixtrans-52.3-53-170.500000113.4D54 Q253 L254 R255D54-G251 PolarHBondContact OD2-N 3.16Å; D54-G251 VanDerWaalsContact OD2-N 3.09Å; G251-Q253 PolarHBondContact O-N 3.32Å; G251-L254 PolarHBondContact O-N 3.31Å; G251-R255 VanDerWaalsContact O-CB 3.24Å; G251-R255 WeakPolarHBondContact O-CB 3.38Å; G251-R255 PolarHBondContact O-N 2.91Å
252P92.9Very high93.5Very high9 Ų943.3 Ų43.36%0.05823%0.233CC..Hα-helixtrans-67-40.2-175.9-25.638.4000112.9W50 Q53 D54 L256W50-P252 HydrophobicContact CB-CB 3.98Å; W50-P252 HydrophobicContact CB-CG 3.97Å; Q53-P252 HydrophobicContact CB-CG 4.27Å; D54-P252 WeakPolarHBondContact OD1-CD 3.22Å; P252-L256 WeakPolarHBondContact O-CG 3.48Å; P252-L256 PolarHBondContact O-N 3.01Å; P252-L256 VanDerWaalsContact O-N 3.09Å
253Q96Very high93.3Very high44 Ų4443.5 Ų43.521%0.20623%0.234CC..Hα-helixtrans-68.5-43.9178.9-67.5-169.7-2.200111.6W50 I159 C250 G251 L256 L257W50-Q253 VanDerWaalsContact CE2-NE2 3.3Å; I159-Q253 HydrophobicContact CD1-CB 4.31Å; I159-Q253 HydrophobicContact CG2-CB 3.93Å; C250-Q253 PolarHBondContact O-N 3.24Å; G251-Q253 PolarHBondContact O-N 3.32Å; Q253-L256 PolarHBondContact O-N 3.48Å; Q253-L257 WeakPolarHBondContact O-CB 3.39Å; Q253-L257 PolarHBondContact O-N 3.42Å
254L97.1Very high93.2Very high0 Ų043.5 Ų43.50%023%0.233CC..Hα-helixtrans-65.4-38.9177.1-68.2174.3000111.7I156 I159 V160 L200 P247 C250 G251 L256 L257 L258 L266I156-L254 HydrophobicContact CB-CD2 4.12Å; I156-L254 HydrophobicContact CG1-CD2 3.92Å; I156-L254 HydrophobicContact CG2-CD2 3.84Å; I159-L254 HydrophobicContact CB-CD2 4.3Å; I159-L254 HydrophobicContact CD1-CD2 4.28Å; I159-L254 HydrophobicContact CG2-CD2 3.99Å; I159-L254 HydrophobicContact CG2-CG 4.06Å; V160-L254 HydrophobicContact CG2-CD1 4.23Å; L200-L254 HydrophobicContact CD2-CD1 4.29Å; P247-L254 HydrophobicContact CG-CD1 4.18Å; C250-L254 HydrophobicContact CB-CD1 3.59Å; C250-L254 HydrophobicContact CB-CG 4.08Å; C250-L254 WeakPolarHBondContact O-CB 3.45Å; C250-L254 VanDerWaalsContact O-CG 3.29Å; C250-L254 WeakPolarHBondContact O-CG 3.35Å; C250-L254 PolarHBondContact O-N 3.13Å; G251-L254 PolarHBondContact O-N 3.31Å; L254-L256 PolarHBondContact O-N 2.76Å; L254-L257 PolarHBondContact O-N 3.18Å; L254-L258 WeakPolarHBondContact O-CB 3.41Å; L254-L258 WeakPolarHBondContact O-CG 3.48Å; L254-L258 PolarHBondContact O-N 3.24Å; L254-L266 HydrophobicContact CB-CD2 4.4Å; L254-L266 HydrophobicContact CD1-CD2 3.43Å; L254-L266 VanDerWaalsContact CD1-CD2 3.43Å
255R97.1Very high93.1Very high47 Ų4742.9 Ų42.918%0.17723%0.226CC..Hα-helixtrans-57.8-47.3173.3-171.4-173.864.174.3-3.9111.5F202 G251 K259 R260 P261 E264F202-R255 HydrophobicContact CE1-CB 4Å; F202-R255 HydrophobicContact CE1-CG 4.2Å; G251-R255 VanDerWaalsContact O-CB 3.24Å; G251-R255 WeakPolarHBondContact O-CB 3.38Å; G251-R255 PolarHBondContact O-N 2.91Å; R255-K259 PolarHBondContact O-N 3.06Å; R255-K259 VanDerWaalsContact O-N 3.1Å; R255-R260 HydrophobicContact CG-CB 3.72Å; R255-R260 PolarHBondContact NH1-O 3.19Å; R255-R260 VanDerWaalsContact NH1-O 3.15Å; R255-R260 PolarHBondContact O-N 3.08Å; R255-P261 WeakPolarHBondContact CD-O 3.27Å; R255-E264 WeakPolarHBondContact CD-O 3.35Å
256L97.3Very high93.3Very high114 Ų11443.5 Ų43.560%0.59723%0.228SC*.Hα-helixtrans-66.4-45.8178.4-70.6173.9000112.1P252 Q253 L254 L258 K259P252-L256 WeakPolarHBondContact O-CG 3.48Å; P252-L256 PolarHBondContact O-N 3.01Å; P252-L256 VanDerWaalsContact O-N 3.09Å; Q253-L256 PolarHBondContact O-N 3.48Å; L254-L256 PolarHBondContact O-N 2.76Å; L256-L258 VanDerWaalsContact C-N 3.27Å; L256-L258 PolarHBondContact O-N 2.92Å; L256-K259 PolarHBondContact O-N 3.28Å; L256-K259 VanDerWaalsContact O-N 3.09Å
257L98Very high93.8Very high54 Ų5440.1 Ų40.128%0.28321%0.207SC..Hα-helixtrans-55.2-45.1176.8175.265.9000111.4K155 I156 I159 Q253 L254 K259K155-L257 HydrophobicContact CB-CD1 4.1Å; K155-L257 HydrophobicContact CB-CD2 3.88Å; K155-L257 HydrophobicContact CD-CD1 4.02Å; I156-L257 HydrophobicContact CG1-CD2 3.65Å; I159-L257 HydrophobicContact CD1-CB 4.41Å; I159-L257 HydrophobicContact CD1-CD2 3.91Å; Q253-L257 WeakPolarHBondContact O-CB 3.39Å; Q253-L257 PolarHBondContact O-N 3.42Å; L254-L257 PolarHBondContact O-N 3.18Å; L257-K259 VanDerWaalsContact C-N 3.26Å; L257-K259 PolarHBondContact O-N 3.18Å
258L98.1Very high94.5Very high26 Ų2641.3 Ų41.314%0.13621%0.212CC..THydrogen-bonded Turntrans-87.17.6-177.7-63.2172.5000113.4V145 V147 T152 I156 L200 F202 L254 L256 R260V145-L258 HydrophobicContact CG1-CD1 4.08Å; V145-L258 HydrophobicContact CG1-CD2 4.25Å; V147-L258 HydrophobicContact CG2-CD2 3.97Å; T152-L258 HydrophobicContact CG2-CD2 3.93Å; I156-L258 HydrophobicContact CD1-CD2 4.35Å; L200-L258 HydrophobicContact CB-CD1 4.41Å; L200-L258 HydrophobicContact CD1-CD1 4.04Å; L200-L258 HydrophobicContact CD2-CD1 3.68Å; L200-L258 HydrophobicContact CG-CD1 4.25Å; F202-L258 HydrophobicContact CE2-CD1 4.14Å; F202-L258 HydrophobicContact CZ-CD1 4.27Å; L254-L258 WeakPolarHBondContact O-CB 3.41Å; L254-L258 WeakPolarHBondContact O-CG 3.48Å; L254-L258 PolarHBondContact O-N 3.24Å; L256-L258 VanDerWaalsContact C-N 3.27Å; L256-L258 PolarHBondContact O-N 2.92Å; L258-R260 HydrophobicContact CB-CG 3.99Å; L258-R260 WeakPolarHBondContact O-CD 3.44Å; L258-R260 PolarHBondContact O-N 3.25Å
259K98.1Very high95.4Very high185 Ų18539.1 Ų39.180%0.80420%0.201SC*.THydrogen-bonded Turntrans52.638.1178.6-55177.8-178.5177.30112.6R255 L256 L257R255-K259 PolarHBondContact O-N 3.06Å; R255-K259 VanDerWaalsContact O-N 3.1Å; L256-K259 PolarHBondContact O-N 3.28Å; L256-K259 VanDerWaalsContact O-N 3.09Å; L257-K259 VanDerWaalsContact C-N 3.26Å; L257-K259 PolarHBondContact O-N 3.18Å
260R97.9Very high96Very high72 Ų7239 Ų3927%0.27220%0.2SC..  trans-82.9142.6177.5-61.2-44.1-57.3160.32.8110.8V145 F202 R255 L258 E264V145-R260 HydrophobicContact CG2-CG 4.2Å; F202-R260 HydrophobicContact CD2-CG 4.45Å; F202-R260 HydrophobicContact CE1-CB 4.36Å; F202-R260 HydrophobicContact CE1-CG 4.24Å; F202-R260 HydrophobicContact CE2-CG 4.14Å; F202-R260 HydrophobicContact CZ-CG 4.04Å; R255-R260 HydrophobicContact CG-CB 3.72Å; R255-R260 PolarHBondContact NH1-O 3.19Å; R255-R260 VanDerWaalsContact NH1-O 3.15Å; R255-R260 PolarHBondContact O-N 3.08Å; L258-R260 HydrophobicContact CB-CG 3.99Å; L258-R260 WeakPolarHBondContact O-CD 3.44Å; L258-R260 PolarHBondContact O-N 3.25Å; R260-E264 HydrophobicContact CB-CB 4.41Å; R260-E264 IonicContact CZ-OE1 3.93Å; R260-E264 IonicContact CZ-OE2 3.62Å; R260-E264 VanDerWaalsContact CZ-OE2 3.3Å; R260-E264 IonicContact NE-OE1 3.07Å; R260-E264 IonicContact NE-OE2 2.67Å; R260-E264 PolarHBondContact NE-OE2 3.48Å; R260-E264 VanDerWaalsContact NH2-CD 3.28Å; R260-E264 IonicContact NH2-OE1 3.3Å; R260-E264 PolarHBondContact NH2-OE1 3.35Å; R260-E264 IonicContact NH2-OE2 3.87Å; R260-E264 PolarHBondContact NH2-OE2 3.08Å; R260-E264 VanDerWaalsContact NH2-OE2 3.1Å
261P96.1Very high96.4Very high53 Ų5339 Ų3934%0.34420%0.2SC..  trans-66164.1-176.931.4-38.3000111.7R255 N263 E264R255-P261 WeakPolarHBondContact CD-O 3.27Å; P261-N263 WeakPolarHBondContact CB-OD1 3.43Å; P261-N263 WeakPolarHBondContact CG-OD1 3.2Å; P261-N263 PolarHBondContact O-N 3.05Å; P261-E264 HydrophobicContact CG-CB 4.4Å; P261-E264 HydrophobicContact CG-CG 4.07Å; P261-E264 PolarHBondContact O-N 3.34Å; P261-E264 VanDerWaalsContact O-N 3.15Å
262A93.4Very high96.9Very high71 Ų7138.7 Ų38.759%0.58720%0.197SC*.THydrogen-bonded Turntrans-67.8-19.3-17400000114E264A262-E264 PolarHBondContact O-N 3.33Å
263N94.4Very high97.2Very high11 Ų1138.3 Ų38.36%0.05919%0.194CC..THydrogen-bonded Turntrans-79.5-3.2175.668.9-52.1000113.4Q204 T205 Y206 P261Q204-N263 CarbonylContact C-O 3.51Å; Q204-N263 WeakPolarHBondContact CA-O 3.41Å; T205-N263 PolarHBondContact N-O 3.35Å; T205-N263 PolarHBondContact OG1-O 3.11Å; Y206-N263 HydrophobicContact CD1-CB 3.99Å; Y206-N263 HydrophobicContact CD2-CB 3.76Å; Y206-N263 HydrophobicContact CE1-CB 3.61Å; Y206-N263 HydrophobicContact CE2-CB 3.38Å; Y206-N263 HydrophobicContact CG-CB 4.05Å; Y206-N263 PolarHBondContact O-ND2 2.89Å; P261-N263 WeakPolarHBondContact CB-OD1 3.43Å; P261-N263 WeakPolarHBondContact CG-OD1 3.2Å; P261-N263 PolarHBondContact O-N 3.05Å
264E96.8Very high97.3Very high5 Ų539.7 Ų39.72%0.02320%0.198CC..EExtended strand (participates in β ladder)trans-105.6126.2178.9-80.8178.7-147.700111.5T143 F202 K203 Q204 R255 R260 P261 A262T143-E264 PolarHBondContact OG1-OE1 2.68Å; F202-E264 HydrophobicContact CB-CB 4.06Å; F202-E264 HydrophobicContact CB-CG 4.28Å; F202-E264 HydrophobicContact CD1-CB 3.92Å; F202-E264 HydrophobicContact CG-CB 4.33Å; K203-E264 WeakPolarHBondContact O-CA 3.39Å; Q204-E264 HydrophobicContact CG-CG 3.73Å; R255-E264 WeakPolarHBondContact CD-O 3.35Å; R260-E264 HydrophobicContact CB-CB 4.41Å; R260-E264 IonicContact CZ-OE1 3.93Å; R260-E264 IonicContact CZ-OE2 3.62Å; R260-E264 VanDerWaalsContact CZ-OE2 3.3Å; R260-E264 IonicContact NE-OE1 3.07Å; R260-E264 IonicContact NE-OE2 2.67Å; R260-E264 PolarHBondContact NE-OE2 3.48Å; R260-E264 VanDerWaalsContact NH2-CD 3.28Å; R260-E264 IonicContact NH2-OE1 3.3Å; R260-E264 PolarHBondContact NH2-OE1 3.35Å; R260-E264 IonicContact NH2-OE2 3.87Å; R260-E264 PolarHBondContact NH2-OE2 3.08Å; R260-E264 VanDerWaalsContact NH2-OE2 3.1Å; P261-E264 HydrophobicContact CG-CB 4.4Å; P261-E264 HydrophobicContact CG-CG 4.07Å; P261-E264 PolarHBondContact O-N 3.34Å; P261-E264 VanDerWaalsContact O-N 3.15Å; A262-E264 PolarHBondContact O-N 3.33Å
265K96.1Very high97.4Very high40 Ų4042.5 Ų42.517%0.17422%0.217CC..EExtended strand (participates in β ladder)trans-115.8135.6174.1-66.5-173.1-179.7177.10110D58 F202 K203 T205 L267D58-K265 IonicContact OD1-NZ 3.1Å; D58-K265 PolarHBondContact OD1-NZ 3.06Å; D58-K265 WeakPolarHBondContact OD2-CE 3.44Å; D58-K265 IonicContact OD2-NZ 3.85Å; D58-K265 PolarHBondContact OD2-NZ 3.47Å; F202-K265 CarbonylContact C-O 3.58Å; F202-K265 VanDerWaalsContact CA-O 3.23Å; F202-K265 WeakPolarHBondContact CA-O 3.43Å; F202-K265 VanDerWaalsContact CD1-C 3.43Å; K203-K265 HydrophobicContact CG-CB 4.15Å; K203-K265 PolarHBondContact N-O 3.49Å; K203-K265 PolarHBondContact O-N 3.28Å; T205-K265 HydrophobicContact CG2-CD 3.83Å; T205-K265 HydrophobicContact CG2-CG 4.01Å; K265-L267 PolarHBondContact O-N 3.4Å
266L97Very high97.5Very high25 Ų2541.3 Ų41.313%0.13122%0.217CC..EExtended strand (participates in β ladder)trans-64.8128.1177.2179.666.7000109.3L200 F202 P247 L254 M268L200-L266 HydrophobicContact CB-CD1 3.88Å; L200-L266 HydrophobicContact CD2-CD1 4.06Å; L200-L266 HydrophobicContact CG-CD1 4.43Å; F202-L266 HydrophobicContact CD1-CB 4.23Å; F202-L266 HydrophobicContact CD2-CD1 4.28Å; F202-L266 HydrophobicContact CE1-CB 3.86Å; F202-L266 HydrophobicContact CE2-CD1 3.93Å; F202-L266 HydrophobicContact CZ-CB 4.15Å; F202-L266 HydrophobicContact CZ-CD1 4.06Å; P247-L266 HydrophobicContact CG-CD2 3.83Å; L254-L266 HydrophobicContact CB-CD2 4.4Å; L254-L266 HydrophobicContact CD1-CD2 3.43Å; L254-L266 VanDerWaalsContact CD1-CD2 3.43Å; L266-M268 WeakPolarHBondContact CD1-O 3.39Å
267L96.6Very high97.5Very high26 Ų2641.5 Ų41.514%0.13624%0.235CC..EExtended strand (participates in β ladder)trans-104.5-48.2174.9-174.468.3000111.5I201 E221 V224 K265I201-L267 PolarHBondContact O-N 3.13Å; E221-L267 HydrophobicContact CG-CD1 3.96Å; V224-L267 HydrophobicContact CB-CD2 3.77Å; V224-L267 HydrophobicContact CG1-CD2 3.49Å; V224-L267 VanDerWaalsContact CG1-CD2 3.49Å; K265-L267 PolarHBondContact O-N 3.4Å
268M97.3Very high97.4Very high30 Ų3045 Ų4515%0.14825%0.254CS..EExtended strand (participates in β ladder)trans-142.8149.4-178.1-63.3-175.6-164.200111.3I201 C228 T244 L266I201-M268 HydrophobicContact CD1-CB 3.91Å; I201-M268 PolarHBondContact N-O 2.83Å; I201-M268 PolarHBondContact O-N 2.99Å; C228-M268 HydrophobicContact CB-CE 3.87Å; C228-M268 HydrophobicContact CB-SD 3.6Å; C228-M268 VanDerWaalsContact CB-SD 3.6Å; T244-M268 HydrophobicContact CG2-CG 4.12Å; T244-M268 HydrophobicContact CG2-SD 3.56Å; T244-M268 VanDerWaalsContact CG2-SD 3.56Å; L266-M268 WeakPolarHBondContact CD1-O 3.39Å
269L98.5Very high97.4Very high1 Ų145.4 Ų45.41%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-118.6122.5168-173.4165.7000108.4I156 V160 L192 L200 S245 P247I156-L269 HydrophobicContact CG2-CD1 3.9Å; V160-L269 HydrophobicContact CG2-CD1 4.33Å; L192-L269 HydrophobicContact CD2-CD1 4.13Å; L192-L269 HydrophobicContact CD2-CD2 3.44Å; L192-L269 VanDerWaalsContact CD2-CD2 3.44Å; L192-L269 HydrophobicContact CD2-CG 4.45Å; L200-L269 HydrophobicContact CD2-CD1 4.05Å; L200-L269 HydrophobicContact CD2-CG 4.31Å; L200-L269 HydrophobicContact CG-CD1 4.36Å; L200-L269 HydrophobicContact CG-CG 4.1Å; S245-L269 WeakPolarHBondContact CB-O 3.17Å; S245-L269 PolarHBondContact N-O 2.82Å; S245-L269 VanDerWaalsContact N-O 3.1Å; S245-L269 PolarHBondContact O-N 2.91Å; P247-L269 HydrophobicContact CG-CB 4.32Å; P247-L269 HydrophobicContact CG-CD1 4.39Å
270L98.8Very high97.4Very high0 Ų041.1 Ų41.10%025%0.25CS..EExtended strand (participates in β ladder)trans-116.8108.8178.8-55.5-174.2000110.4L198 I199 I201 L231 L232 T242 T244 V272L198-L270 WeakPolarHBondContact CA-O 3.2Å; I199-L270 HydrophobicContact CB-CB 4.34Å; I199-L270 PolarHBondContact N-O 2.93Å; I199-L270 PolarHBondContact O-N 2.99Å; I201-L270 HydrophobicContact CD1-CD1 3.7Å; I201-L270 HydrophobicContact CD1-CG 3.64Å; L231-L270 HydrophobicContact CD2-CD1 3.69Å; L231-L270 HydrophobicContact CG-CD1 4.3Å; L232-L270 HydrophobicContact CD2-CD1 4.38Å; T242-L270 HydrophobicContact CG2-CD2 4.5Å; T242-L270 WeakPolarHBondContact OG1-CB 3.47Å; T244-L270 HydrophobicContact CG2-CD2 4.27Å; L270-V272 HydrophobicContact CB-CG2 4.19Å
271P98.8Very high97.4Very high0 Ų040.4 Ų40.40%025%0.254CS..EExtended strand (participates in β ladder)trans-75.8126.9164.834.4-34.7000108.5I113 Y191 A195 L198 T242 V243I113-P271 HydrophobicContact CD1-CB 3.66Å; I113-P271 HydrophobicContact CD1-CG 3.72Å; I113-P271 WeakPolarHBondContact CD1-O 3.42Å; Y191-P271 HydrophobicContact CD2-CB 3.8Å; Y191-P271 HydrophobicContact CD2-CG 3.51Å; Y191-P271 HydrophobicContact CE2-CB 4.46Å; Y191-P271 HydrophobicContact CE2-CG 3.86Å; Y191-P271 HydrophobicContact CG-CG 4.35Å; A195-P271 HydrophobicContact CB-CB 3.83Å; L198-P271 HydrophobicContact CD2-CB 3.76Å; T242-P271 VanDerWaalsContact CA-O 3.29Å; T242-P271 WeakPolarHBondContact CA-O 3.35Å; T242-P271 WeakPolarHBondContact CB-O 3.35Å; T242-P271 PolarHBondContact OG1-O 3.47Å; V243-P271 HydrophobicContact CG1-CG 3.7Å; V243-P271 WeakPolarHBondContact O-CD 3.2Å
272V98.9Very high97.4Very high0 Ų039.4 Ų39.40%025%0.248CC..EExtended strand (participates in β ladder)trans-123.7131.8-170.6177.70000110.2I123 P196 Y197 I199 L235 L240 L270I123-V272 HydrophobicContact CD1-CG1 3.94Å; P196-V272 VanDerWaalsContact CD-O 3.24Å; P196-V272 WeakPolarHBondContact CD-O 3.39Å; P196-V272 VanDerWaalsContact CG-O 3.31Å; P196-V272 WeakPolarHBondContact CG-O 3.33Å; Y197-V272 PolarHBondContact N-O 3.49Å; Y197-V272 PolarHBondContact O-N 2.97Å; I199-V272 HydrophobicContact CD1-CG2 3.83Å; I199-V272 HydrophobicContact CG1-CG2 4.06Å; L235-V272 HydrophobicContact CD1-CG2 4.07Å; L235-V272 HydrophobicContact CD2-CG1 3.59Å; L235-V272 HydrophobicContact CD2-CG2 4.3Å; L240-V272 HydrophobicContact CB-CG1 4.37Å; L240-V272 HydrophobicContact CD1-CG1 3.97Å; L270-V272 HydrophobicContact CB-CG2 4.19Å
273G98.8Very high97.6Very high0 Ų041.9 Ų41.90%025%0.251CS..BIsolated β-bridgetrans178.5-167.9176.800000111.9V241V241-G273 WeakPolarHBondContact CG2-O 3.39Å; V241-G273 PolarHBondContact N-O 3.34Å; V241-G273 PolarHBondContact O-N 3.47Å
274Y98.9Very high97.7Very high73 Ų7345 Ų4529%0.28627%0.267SS..PPolyproline II helixtrans-76.1153.4167.4-62.3-71.7000110.7I113 S114 E116 V118 L240I113-Y274 CarbonylContact C-O 3.59Å; I113-Y274 WeakPolarHBondContact CA-O 3.19Å; I113-Y274 WeakPolarHBondContact CG2-O 3.44Å; S114-Y274 PolarHBondContact N-O 3.4Å; E116-Y274 HydrophobicContact CB-CD2 3.98Å; E116-Y274 HydrophobicContact CG-CD2 3.87Å; E116-Y274 HydrophobicContact CG-CE2 4.06Å; V118-Y274 HydrophobicContact CG2-CD2 4.11Å; V118-Y274 HydrophobicContact CG2-CE2 3.84Å; L240-Y274 HydrophobicContact CD2-CD1 4.06Å; L240-Y274 HydrophobicContact CD2-CE1 3.9Å; L240-Y274 HydrophobicContact CD2-CG 4.47Å
275P98.6Very high97.7Very high60 Ų6052.4 Ų52.439%0.3930%0.299SS..BIsolated β-bridgetrans-65.2144.9170.428.8-33.7000110.2V110 V241 A279V110-P275 HydrophobicContact CG1-CB 4.31Å; V241-P275 HydrophobicContact CG1-CB 4.46Å; V241-P275 HydrophobicContact CG1-CG 4.39Å; V241-P275 HydrophobicContact CG2-CB 4.04Å; P275-A279 HydrophobicContact CB-CB 4.13Å
276A98.4Very high97.8Very high21 Ų2157 Ų5717%0.17432%0.316CS..PPolyproline II helixtrans-61.7153167.400000110.6F112 D278 A279F112-A276 HydrophobicContact CB-CB 4.05Å; F112-A276 PolarHBondContact O-N 2.97Å; A276-D278 PolarHBondContact O-N 2.99Å; A276-A279 HydrophobicContact CB-CB 4.27Å; A276-A279 WeakPolarHBondContact O-CB 3.29Å; A276-A279 PolarHBondContact O-N 3.44Å
277A97.6Very high97.9Very high119 Ų11962.4 Ų62.498%0.98334%0.338SS*.THydrogen-bonded Turntrans-61.2-28.5-176.900000113.4
278D96.9Very high98Very high126 Ų12666.3 Ų66.367%0.67436%0.359SS*.THydrogen-bonded Turntrans-103.713.8177.765.7-22.6000112.9A276 T280A276-D278 PolarHBondContact O-N 2.99Å; D278-T280 PolarHBondContact O-N 3.43Å
279A97.8Very high98Very high35 Ų3569.4 Ų69.429%0.28938%0.376SS..  trans-58.7124.7-177.900000111.5V110 F112 P275 A276V110-A279 HydrophobicContact CG1-CB 4.09Å; F112-A279 HydrophobicContact CB-CB 3.85Å; P275-A279 HydrophobicContact CB-CB 4.13Å; A276-A279 HydrophobicContact CB-CB 4.27Å; A276-A279 WeakPolarHBondContact O-CB 3.29Å; A276-A279 PolarHBondContact O-N 3.44Å
280T97.9Very high98Very high95 Ų9576.5 Ų76.558%0.58341%0.409SS*.  trans-108.6155.6174.560.90000111.6D278D278-T280 PolarHBondContact O-N 3.43Å
281V97.9Very high98Very high57 Ų5781.8 Ų81.835%0.34543%0.434SS..  trans-132.2147.4172.9-66.40000108.9R108 V110R108-V281 HydrophobicContact CB-CG1 3.96Å; R108-V281 HydrophobicContact CG-CG2 4.39Å; R108-V281 VanDerWaalsContact NH1-CG2 3.34Å; V110-V281 HydrophobicContact CG2-CG1 4.26Å
282P97.1Very high97.9Very high33 Ų3387.6 Ų87.621%0.21446%0.463CS..  trans-62.8143.6174.626.9-34.4000110R108 L183 L284R108-P282 PolarHBondContact NH1-O 3.46Å; R108-P282 PolarHBondContact NH2-O 2.89Å; L183-P282 HydrophobicContact CD2-CG 4.2Å; P282-L284 HydrophobicContact CB-CD1 4.42Å; P282-L284 HydrophobicContact CB-CD2 4.38Å; P282-L284 HydrophobicContact CB-CG 3.98Å; P282-L284 HydrophobicContact CG-CD1 3.91Å; P282-L284 HydrophobicContact CG-CG 3.96Å; P282-L284 PolarHBondContact O-N 3.03Å
283D96.9Very high97.9Very high123 Ų12392.8 Ų92.866%0.65849%0.489SS*.  trans-7964.7178.7-170.225.5000112.1K285D283-K285 IonicContact OD1-NZ 2.78Å; D283-K285 PolarHBondContact OD1-NZ 3.5Å; D283-K285 IonicContact OD2-NZ 3.16Å; D283-K285 PolarHBondContact OD2-NZ 3.06Å
284L96.3Very high97.8Very high77 Ų7798.9 Ų98.940%0.40353%0.526SS..PPolyproline II helixtrans-84.3137.6177.4-56.8177.7000110.2L183 P282L183-L284 HydrophobicContact CD2-CD1 3.94Å; P282-L284 HydrophobicContact CB-CD1 4.42Å; P282-L284 HydrophobicContact CB-CD2 4.38Å; P282-L284 HydrophobicContact CB-CG 3.98Å; P282-L284 HydrophobicContact CG-CD1 3.91Å; P282-L284 HydrophobicContact CG-CG 3.96Å; P282-L284 PolarHBondContact O-N 3.03Å
285K97.3Very high97.7Very high160 Ų16099.8 Ų99.870%0.69655%0.549SS*.PPolyproline II helixtrans-98.8138.3170.7-51.4-52.8-179.4-164.70109.6D283D283-K285 IonicContact OD1-NZ 2.78Å; D283-K285 PolarHBondContact OD1-NZ 3.5Å; D283-K285 IonicContact OD2-NZ 3.16Å; D283-K285 PolarHBondContact OD2-NZ 3.06Å
286R98.2Very high97.5Very high136 Ų136108 Ų10851%0.51359%0.586SS.*PPolyproline II helixtrans-76.7153.4169.6-71.2179.5175.7150.66.4108.5M104 S105 R107M104-R286 PolarHBondContact O-NH1 3.13Å; M104-R286 VanDerWaalsContact O-NH1 3.13Å; S105-R286 PolarHBondContact O-NH1 2.82Å; R107-R286 PolarHBondContact O-NH2 3.43Å
287K98.3Very high97.4Very high138 Ų138112.3 Ų112.360%0.661%0.607SS**PPolyproline II helixtrans-58.5150.5169-68.6-175.9173.2-171.70110.7E291 I292K287-E291 WeakPolarHBondContact CA-OE2 3.5Å; K287-E291 HydrophobicContact CB-CB 3.96Å; K287-E291 HydrophobicContact CD-CB 4.13Å; K287-E291 HydrophobicContact CG-CB 4.39Å; K287-I292 HydrophobicContact CB-CG2 3.82Å; K287-I292 HydrophobicContact CD-CG2 4Å
288N98.1Very high97.4Very high108 Ų108111.9 Ų111.958%0.57859%0.587SS**PPolyproline II helixtrans-78.4170.7174-64-28000111.1E290 E291N288-E290 VanDerWaalsContact C-N 3.29Å; N288-E290 WeakPolarHBondContact CB-OE2 3.49Å; N288-E290 PolarHBondContact O-N 3.37Å; N288-E291 PolarHBondContact N-OE2 3.49Å; N288-E291 PolarHBondContact O-N 3.1Å
289L98.2Very high97.4Very high96 Ų96111.2 Ų111.250%0.50358%0.582SS.*G310 helixtrans-60.4-39.9-174.1-178.961.5000112E291 I292 M293L289-E291 PolarHBondContact O-N 3.36Å; L289-I292 HydrophobicContact CD1-CG1 4.4Å; L289-I292 WeakPolarHBondContact O-CG1 3.33Å; L289-I292 PolarHBondContact O-N 3.41Å; L289-I292 VanDerWaalsContact O-N 3.09Å; L289-M293 HydrophobicContact CD1-CB 3.89Å; L289-M293 HydrophobicContact CD1-SD 4.08Å; L289-M293 HydrophobicContact CD2-CE 4.16Å; L289-M293 HydrophobicContact CG-CB 4.29Å; L289-M293 HydrophobicContact CG-CE 4.2Å; L289-M293 HydrophobicContact CG-SD 4.4Å; L289-M293 WeakPolarHBondContact O-CB 3.46Å; L289-M293 PolarHBondContact O-N 3.35Å
290E98.1Very high97.4Very high149 Ų149115.6 Ų115.670%0.69660%0.6SS**G310 helixtrans-65.8-21.7-177.8-56.274.2-158.800112.5N288N288-E290 VanDerWaalsContact C-N 3.29Å; N288-E290 WeakPolarHBondContact CB-OE2 3.49Å; N288-E290 PolarHBondContact O-N 3.37Å
291E98.4Very high97.4Very high112 Ų112116.9 Ų116.952%0.52360%0.601SS.*G310 helixtrans-88.1-11.2178.1-62.6178.677.300113.2K287 N288 L289K287-E291 WeakPolarHBondContact CA-OE2 3.5Å; K287-E291 HydrophobicContact CB-CB 3.96Å; K287-E291 HydrophobicContact CD-CB 4.13Å; K287-E291 HydrophobicContact CG-CB 4.39Å; N288-E291 PolarHBondContact N-OE2 3.49Å; N288-E291 PolarHBondContact O-N 3.1Å; L289-E291 PolarHBondContact O-N 3.36Å
292I98Very high97.4Very high121 Ų121120.9 Ų120.962%0.62162%0.618SS**THydrogen-bonded Turntrans-124.7-12-174.866.9172.9000113.7K287 L289K287-I292 HydrophobicContact CB-CG2 3.82Å; K287-I292 HydrophobicContact CD-CG2 4Å; L289-I292 HydrophobicContact CD1-CG1 4.4Å; L289-I292 WeakPolarHBondContact O-CG1 3.33Å; L289-I292 PolarHBondContact O-N 3.41Å; L289-I292 VanDerWaalsContact O-N 3.09Å
293M98.1Very high97.4Very high110 Ų110127.2 Ų127.254%0.54265%0.647SS.*  trans-120123.1179.8-172.9-177.576.400110.5L289L289-M293 HydrophobicContact CD1-CB 3.89Å; L289-M293 HydrophobicContact CD1-SD 4.08Å; L289-M293 HydrophobicContact CD2-CE 4.16Å; L289-M293 HydrophobicContact CG-CB 4.29Å; L289-M293 HydrophobicContact CG-CE 4.2Å; L289-M293 HydrophobicContact CG-SD 4.4Å; L289-M293 WeakPolarHBondContact O-CB 3.46Å; L289-M293 PolarHBondContact O-N 3.35Å
294V97.9Very high97.4Very high128 Ų128127.5 Ų127.578%0.77665%0.646SS**  trans-112.4120.9169.6-179.10000107.8I296V294-I296 HydrophobicContact CG1-CG1 4.08Å
295A95.6Very high97.5Very high92 Ų92131.8 Ų131.876%0.7667%0.666SS**  trans-94.7128169.400000108.5
296I94Very high97.5Very high231 Ų231129.2 Ų129.2100%1.18566%0.663SS**  trans-111.80178.1-56.8177000108.1V294V294-I296 HydrophobicContact CG1-CG1 4.08Å

Retrieved 296 of 296 residues in 177.6 ms (Link to these results)