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Transforming growth factor beta-1-induced transcript 1 protein

Functions as a molecular adapter coordinating multiple protein-protein interactions at the focal adhesion complex and in the nucleus. Links various intracellular signaling modules to plasma membrane receptors and regulates the Wnt and TGFB signaling pathways. May also regulate SLC6A3 and SLC6A4 targeting to the plasma membrane hence regulating their activity. In the nucleus, functions as a nuclear receptor coactivator regulating glucocorticoid, androgen, mineralocorticoid and progesterone receptor transcriptional activity. May play a role in the processes of cell growth, proliferation, migration, differentiation and senescence. May have a zinc-dependent DNA-binding activity.

AlphaFold DB , UniProt , Accession Q99PD6, Species RAT (Rattus norvegicus, Rat), Gene Tgfb1i1, Length 461 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
1M50.3Low58.9Low207 Ų207124.8 Ų124.8100%1.0267%0.672SS**  0-7.80-165.5168.7-83.900111.4D3M1-D3 PolarHBondContact O-N 3.22Å
2E58.5Low58.4Low156 Ų156126.8 Ų126.873%0.72967%0.674SS**THydrogen-bonded Turntrans-73.3-13.8-167.8-62.694.2135.200115.9L4E2-L4 VanDerWaalsContact C-N 3.27Å; E2-L4 PolarHBondContact O-N 3.28Å
3D63Low57.8Low143 Ų143124.8 Ų124.877%0.76567%0.67SS**THydrogen-bonded Turntrans-72.2-12.7-174.4-56.6-73.2000114.9M1M1-D3 PolarHBondContact O-N 3.22Å
4L62.9Low56.7Low130 Ų130124.4 Ų124.468%0.68167%0.674SS**THydrogen-bonded Turntrans-87.5-31.7-178.3-156.773.7000113.2E2 A6 L7E2-L4 VanDerWaalsContact C-N 3.27Å; E2-L4 PolarHBondContact O-N 3.28Å; L4-A6 VanDerWaalsContact C-N 3.3Å; L4-A6 PolarHBondContact O-N 3.46Å; L4-L7 PolarHBondContact O-N 2.86Å
5D63.4Low55.6Low116 Ų116124.1 Ų124.162%0.6268%0.679SS**Hα-helixtrans-69.4-29.5-179.8-76.2-46.3000112.3L7 L8 S9D5-L7 VanDerWaalsContact C-N 3.28Å; D5-L7 PolarHBondContact O-N 3.13Å; D5-L8 PolarHBondContact O-N 3.37Å; D5-S9 PolarHBondContact O-N 3.45Å
6A63.9Low54.4Low61 Ų61122.6 Ų122.650%0.50468%0.68SS.*Hα-helixtrans-60.5-35.3177.500000112.9L4L4-A6 VanDerWaalsContact C-N 3.3Å; L4-A6 PolarHBondContact O-N 3.46Å
7L57.5Low53.6Low127 Ų127125.4 Ų125.467%0.66569%0.686SS**Hα-helixtrans-82.6-15-179.3-67.1177.5000113.8L4 D5L4-L7 PolarHBondContact O-N 2.86Å; D5-L7 VanDerWaalsContact C-N 3.28Å; D5-L7 PolarHBondContact O-N 3.13Å
8L58.9Low52.5Low103 Ų103127.8 Ų127.854%0.53969%0.694SS.*Hα-helixtrans-85.7-34.9174.7-77.3164.8000112D5 D10 L11 E12D5-L8 PolarHBondContact O-N 3.37Å; L8-D10 VanDerWaalsContact C-N 3.34Å; L8-D10 PolarHBondContact O-N 3.36Å; L8-L11 PolarHBondContact O-N 3.24Å; L8-E12 PolarHBondContact O-N 2.9Å
9S61.8Low51.8Low76 Ų76126.7 Ų126.753%0.53170%0.697SS.*Hα-helixtrans-61.3-38.4175.4-79.80000113.3D5 L11 E12 T13D5-S9 PolarHBondContact O-N 3.45Å; S9-L11 PolarHBondContact O-N 2.88Å; S9-E12 PolarHBondContact O-N 2.85Å; S9-T13 PolarHBondContact O-N 3.33Å; S9-T13 PolarHBondContact O-OG1 3.08Å
10D55.7Low51.2Low119 Ų119132.1 Ų132.164%0.63671%0.706SS**Hα-helixtrans-67.8-21.2179.5-81.9-12.5000113.4L8 T13L8-D10 VanDerWaalsContact C-N 3.34Å; L8-D10 PolarHBondContact O-N 3.36Å; D10-T13 WeakPolarHBondContact CA-OG1 3.36Å; D10-T13 PolarHBondContact O-OG1 3.36Å; D10-T13 VanDerWaalsContact O-OG1 3.13Å
11L51.7Low50.7Low135 Ų135134.6 Ų134.671%0.70772%0.719SS**Hα-helixtrans-85.5-27.9177-129.174.7000113.3L8 S9 T14L8-L11 PolarHBondContact O-N 3.24Å; S9-L11 PolarHBondContact O-N 2.88Å; L11-T14 PolarHBondContact O-OG1 2.83Å
12E53.8Low50Low148 Ų148128.2 Ų128.269%0.69271%0.706SS**Hα-helixtrans-79.7-20.9178.2-67-171.3130.600112.9L8 S9 T14 T15L8-E12 PolarHBondContact O-N 2.9Å; S9-E12 PolarHBondContact O-N 2.85Å; E12-T14 PolarHBondContact O-N 3.27Å; E12-T15 PolarHBondContact O-OG1 3.45Å
13T49.6Very low49.1Very low102 Ų102125.5 Ų125.563%0.62671%0.71SS**THydrogen-bonded Turntrans-67.7-0.9179.314.90000116.3S9 D10S9-T13 PolarHBondContact O-N 3.33Å; S9-T13 PolarHBondContact O-OG1 3.08Å; D10-T13 WeakPolarHBondContact CA-OG1 3.36Å; D10-T13 PolarHBondContact O-OG1 3.36Å; D10-T13 VanDerWaalsContact O-OG1 3.13Å
14T43.3Very low48.3Very low118 Ų118124.5 Ų124.572%0.72471%0.712SS**THydrogen-bonded Turntrans-98.615.4179.963.50000115.1L11 E12L11-T14 PolarHBondContact O-OG1 2.83Å; E12-T14 PolarHBondContact O-N 3.27Å
15T39.4Very low47.3Very low121 Ų121128 Ų12874%0.74272%0.721SS**SBendtrans-133.439.6-177.260.40000116.3E12E12-T15 PolarHBondContact O-OG1 3.45Å
16S36.9Very low45.9Very low100 Ų100131.5 Ų131.570%0.69973%0.734SS**  trans-153.481.2170.9560000116.5
17H40.7Very low44.8Very low170 Ų170139 Ų13979%0.78775%0.749SS**  trans-166.7109.8146.9-125.9-96.6000112
18M33.9Very low44.2Very low168 Ų168137.9 Ų137.983%0.82875%0.75SS**  trans-172.990.4139.9-93.3-40.39700109.3
19S39.6Very low43.4Very low107 Ų107138.6 Ų138.675%0.74876%0.761SS**  trans-79.3133172.2-72.90000111.3
20R40Very low42.3Very low235 Ų235142.8 Ų142.889%0.88777%0.772SS**  trans41.9111.8147.8-59.8-178.4175.1-153.9-2.9118.3
21L40Very low41.2Very low184 Ų184143.6 Ų143.696%0.96378%0.781SS**  trans-170.3141.1139.3-105.5165.5000111.3
22G35.2Very low40.6Very low74 Ų74145 Ų14576%0.76379%0.789SS**  trans86.7108.6161.300000117.3
23A40.5Very low39.8Very low98 Ų98143.7 Ų143.781%0.8179%0.791SS**PPolyproline II helixtrans-76.4141.3172.100000112.2
24P46.5Very low39.4Very low123 Ų123144.1 Ų144.180%0.79980%0.795SS**PPolyproline II helixtrans-75127164.631.5-31000109.2E26P24-E26 PolarHBondContact O-N 2.77Å
25K40.9Very low39.4Very low202 Ų202144 Ų14488%0.87880%0.796SS**PPolyproline II helixtrans-71.7116.8175.4-171175.6-175.5177.30108.7R27K25-R27 PolarHBondContact O-N 3.04Å
26E34.2Very low39.3Very low191 Ų191143.2 Ų143.289%0.89379%0.794SS**PPolyproline II helixtrans-52.5125.6175.3-69.2-174.3108.700110.4P24P24-E26 PolarHBondContact O-N 2.77Å
27R40.6Very low39.4Very low217 Ų217144.4 Ų144.482%0.81980%0.799SS**  trans-105.9123.7168.4-153.1175.5-167.8-148.2-0.4106.1K25K25-R27 PolarHBondContact O-N 3.04Å
28P44Very low39.2Very low104 Ų104147 Ų14768%0.67580%0.803SS**PPolyproline II helixtrans-63.5152.4-173.627.3-35.4000110.6E30P28-E30 PolarHBondContact O-N 3.09Å; P28-E30 VanDerWaalsContact O-N 3.15Å
29P43.7Very low39.1Very low119 Ų119142.4 Ų142.477%0.77380%0.799SS**PPolyproline II helixtrans-64.3118177.427.2-33.4000109.3T31P29-T31 PolarHBondContact O-N 3.48Å
30E38.6Very low39Very low164 Ų164146.1 Ų146.177%0.76681%0.805SS**PPolyproline II helixtrans-67.7117.9166.9-74.2-173.699.300108.2P28 L32P28-E30 PolarHBondContact O-N 3.09Å; P28-E30 VanDerWaalsContact O-N 3.15Å; E30-L32 PolarHBondContact O-N 2.75Å
31T32.4Very low38.4Very low135 Ų135143.2 Ų143.283%0.82880%0.801SS**  trans-68.577.6-174.4-42.10000111.1P29 T33P29-T31 PolarHBondContact O-N 3.48Å; T31-T33 PolarHBondContact O-N 2.91Å
32L38.2Very low38Very low165 Ų165139.9 Ų139.986%0.86479%0.791SS**  trans-68.7101.9169.2-78.9166.8000108.7E30E30-L32 PolarHBondContact O-N 2.75Å
33T37.7Very low38Very low120 Ų120145.1 Ų145.174%0.73680%0.795SS**PPolyproline II helixtrans-52.1133.8174.614.10000110.6T31T31-T33 PolarHBondContact O-N 2.91Å
34P41.3Very low37.4Very low111 Ų111147.5 Ų147.572%0.72180%0.8SS**PPolyproline II helixtrans-64.6142.6175.227.8-34000110
35P42.3Very low36.7Very low115 Ų115145.4 Ų145.475%0.74780%0.801SS**PPolyproline II helixtrans-62147.8169.628-33.8000109.8
36P38.4Very low36.2Very low105 Ų105142 Ų14268%0.68280%0.802SS**PPolyproline II helixtrans-64.7149.7-177.927.9-35.1000111.2Y38P36-Y38 PolarHBondContact O-N 3.47Å
37P38.1Very low36.1Very low125 Ų125136.6 Ų136.681%0.81280%0.798SS**PPolyproline II helixtrans-65124.7175.128-33.4000109.5G39P37-G39 PolarHBondContact O-N 3.41Å
38Y37.7Very low35.5Very low225 Ų225135.5 Ų135.588%0.88280%0.802SS**  trans-65.9102.5172.1-101.2-91.9000109.5P36 H40P36-Y38 PolarHBondContact O-N 3.47Å; Y38-H40 PolarHBondContact O-N 2.97Å
39G30.9Very low35.1Very low72 Ų72135.8 Ų135.874%0.74281%0.807SS**PPolyproline II helixtrans-69118176.200000111P37 Q41P37-G39 PolarHBondContact O-N 3.41Å; G39-Q41 PolarHBondContact O-N 2.92Å
40H37.3Very low34.5Very low185 Ų185136.1 Ų136.186%0.85681%0.812SS**PPolyproline II helixtrans-69.8116.9166.9-81.9-76.3000109.9Y38 P42Y38-H40 PolarHBondContact O-N 2.97Å; H40-P42 VanDerWaalsContact O-CD 3.28Å; H40-P42 WeakPolarHBondContact O-CD 3.35Å
41Q27.3Very low33.9Very low173 Ų173132 Ų13281%0.80881%0.813SS**PPolyproline II helixtrans-65117.8176.2178.8-171.56.500111.6G39G39-Q41 PolarHBondContact O-N 2.92Å
42P32.1Very low33.7Very low115 Ų115130.3 Ų130.375%0.74781%0.813SS**PPolyproline II helixtrans-87.3138.5162.1515.5000109.4H40H40-P42 VanDerWaalsContact O-CD 3.28Å; H40-P42 WeakPolarHBondContact O-CD 3.35Å
43Q34.6Very low33.3Very low184 Ų184128.8 Ų128.886%0.8682%0.816SS**PPolyproline II helixtrans-73.4151.6174.5-68.9-176.95.700111.7
44T28.4Very low32.9Very low147 Ų147126.4 Ų126.490%0.90282%0.816SS**PPolyproline II helixtrans-72.3140-174.249.50000113.5
45G31.6Very low32.3Very low80 Ų80127.4 Ų127.483%0.82582%0.815SS**  trans-162.294.416900000111.2
46S30.8Very low31.9Very low129 Ų129129.8 Ų129.890%0.90281%0.814SS**  trans-80.5140.7-17850.50000113
47G32.8Very low31.8Very low79 Ų79131.6 Ų131.681%0.81482%0.818SS**  trans-179.3105.5170.400000111.9
48E27.7Very low32.3Very low193 Ų193130.4 Ų130.490%0.90280%0.801SS**  trans-85.5167.2-176.2-69.2170.283.100113.8
49S35.4Very low32.9Very low110 Ų110125.5 Ų125.577%0.76979%0.79SS**  trans105.495.4153.974.70000119.5
50S30.1Very low33.6Very low126 Ų126129.3 Ų129.388%0.88178%0.783SS**  44.9108.1118.6-52.30000121.1
51G26.5Very low34.6Very low77 Ų77122.4 Ų122.479%0.79476%0.755SS**  120.2139121.400000119.1
52A28.8Very low36Very low101 Ų101118.8 Ų118.884%0.83575%0.745SS**  trans75.4101158.100000120.6
53S29Very low37.1Very low132 Ų132115.1 Ų115.192%0.92372%0.72SS**  65119.3122.3-146.10000121.4
54G29.2Very low38.2Very low71 Ų71110.3 Ų110.373%0.73271%0.706SS**  trans120106.8163.400000112.1
55D30.2Very low39.5Very low132 Ų132112.1 Ų112.171%0.70670%0.702SS**  102.6110.675.1-149.9-95.6000110.3
56K32.5Very low40.7Very low164 Ų164112.1 Ų112.171%0.71369%0.687SS**  trans7078.3170.3-57.2170.9-171.897.60119.7
57D36.4Very low41.6Very low144 Ų144114 Ų11477%0.7767%0.674SS**  trans-114.699.1144.9-80.1-59.7000110.1
58H48.9Very low42.4Very low100 Ų100114.2 Ų114.246%0.46366%0.663SS.*  trans-96.694.5164.5-80.2-98.5000107.4Y60H58-Y60 PolarHBondContact O-N 3.36Å
59L49.7Very low43.4Very low122 Ų122108.3 Ų108.364%0.63964%0.642SS**  trans-68.380.7179.9-69.7172.3000111.3S61L59-S61 PolarHBondContact O-N 2.84Å
60Y46.8Very low43.7Very low152 Ų152112.9 Ų112.960%0.59665%0.648SS**  trans-69.9110.3170-178-98.5000109.2H58 T62 F385H58-Y60 PolarHBondContact O-N 3.36Å; Y60-T62 HydrophobicContact CD1-CG2 4.4Å; Y60-T62 HydrophobicContact CE1-CG2 3.73Å; Y60-F385 HydrophobicContact CD2-CZ 4.47Å
61S57.6Low44.1Very low40 Ų40112.2 Ų112.228%0.2864%0.643SS.*EExtended strand (participates in β ladder)trans-109.4131.5-179.3-660000110.8L59 F384L59-S61 PolarHBondContact O-N 2.84Å; S61-F384 WeakPolarHBondContact O-CD1 3.36Å; S61-F384 WeakPolarHBondContact O-CE1 3.45Å; S61-F384 PolarHBondContact O-N 3.17Å
62T57.6Low44.9Very low96 Ų96115.1 Ų115.159%0.58965%0.645SS**EExtended strand (participates in β ladder)trans-102.4139.2172.748.80000110.5Y60 C64Y60-T62 HydrophobicContact CD1-CG2 4.4Å; Y60-T62 HydrophobicContact CE1-CG2 3.73Å; T62-C64 PolarHBondContact O-N 3.49Å
63V55.2Low45.4Very low38 Ų38114 Ų11423%0.2364%0.636CS.*PPolyproline II helixtrans-72.3123.4177.4174.70000110.8K65 I358 F370 G382 F384V63-K65 PolarHBondContact O-N 2.98Å; V63-I358 HydrophobicContact CG1-CD1 4.3Å; V63-I358 HydrophobicContact CG1-CG1 4.22Å; V63-I358 HydrophobicContact CG1-CG2 3.79Å; V63-F370 HydrophobicContact CG2-CD1 4Å; V63-F370 HydrophobicContact CG2-CE1 3.46Å; V63-F370 VanDerWaalsContact CG2-CE1 3.46Å; V63-F370 HydrophobicContact CG2-CZ 4.33Å; V63-G382 PolarHBondContact N-O 3.24Å; V63-G382 VanDerWaalsContact N-O 3.11Å; V63-F384 HydrophobicContact CG2-CD1 3.66Å; V63-F384 HydrophobicContact CG2-CE1 3.54Å
64C56.2Low45.9Very low84 Ų84113.8 Ų113.857%0.56863%0.631SS**PPolyproline II helixtrans-61.2130.8163.6-74.70000109.9T62T62-C64 PolarHBondContact O-N 3.49Å
65K57.1Low46.6Very low185 Ų185117.1 Ų117.180%0.80464%0.637SS**  trans-43.1139.3178.3-70.3179.5178.8176.90111.4V63 R67V63-K65 PolarHBondContact O-N 2.98Å; K65-R67 PolarHBondContact O-N 3.44Å
66P55.7Low47Very low79 Ų79114.9 Ų114.951%0.51364%0.637SS.*PPolyproline II helixtrans-55.4131.9-177.323-33.4000110.2N356 Y357P66-N356 HydrophobicContact CB-CB 4.49Å; P66-Y357 WeakPolarHBondContact CA-O 3.48Å
67R49.7Very low47.9Very low168 Ų168112.5 Ų112.563%0.63464%0.639SS**BIsolated β-bridgetrans-102.1137.8177.1-68.8-174.9175.9-165.9-1.9108.7K65 N356 Y357K65-R67 PolarHBondContact O-N 3.44Å; R67-N356 WeakPolarHBondContact O-CA 3.33Å; R67-Y357 HydrophobicContact CB-CE1 4.11Å; R67-Y357 HydrophobicContact CB-CE2 4.31Å; R67-Y357 PolarHBondContact N-O 2.89Å; R67-Y357 WeakPolarHBondContact O-CD1 3.25Å; R67-Y357 WeakPolarHBondContact O-CE1 3.43Å; R67-Y357 PolarHBondContact O-N 3.03Å; R67-Y357 VanDerWaalsContact O-N 3.12Å
68S50.7Low48.5Very low84 Ų84110.8 Ų110.859%0.58764%0.635SS**PPolyproline II helixtrans-75.4143.5163.9-44.60000108.8K70 N356S68-K70 PolarHBondContact O-N 3.32Å; S68-N356 PolarHBondContact OG-OD1 3.3Å
69P49Very low47.9Very low70 Ų70114.8 Ų114.846%0.45565%0.652SS.*PPolyproline II helixtrans-60.2132.4174.624.2-32.3000110.1S71P69-S71 PolarHBondContact O-N 3.11Å
70K41.9Very low47.5Very low205 Ų205114.7 Ų114.789%0.89166%0.661SS**PPolyproline II helixtrans-62.9119173.9-117.5178.9179.7-179.80108.3S68 V72S68-K70 PolarHBondContact O-N 3.32Å; K70-V72 PolarHBondContact O-N 3.18Å
71S37.8Very low47.1Very low112 Ų112113.1 Ų113.178%0.78367%0.672SS**PPolyproline II helixtrans-58.3123.4171.246.40000109.5P69 A73P69-S71 PolarHBondContact O-N 3.11Å; S71-A73 PolarHBondContact O-N 2.87Å
72V43.8Very low46.4Very low139 Ų139116.1 Ų116.184%0.84269%0.693SS**PPolyproline II helixtrans-66.1125.5163.7177.40000106.2K70K70-V72 PolarHBondContact O-N 3.18Å
73A38Very low45.7Very low77 Ų77117.5 Ų117.564%0.63671%0.707SS**PPolyproline II helixtrans-58.1137.3-176.700000110.6S71 V75S71-A73 PolarHBondContact O-N 2.87Å; A73-V75 PolarHBondContact O-N 3.04Å
74P39.9Very low44.9Very low127 Ų127119.4 Ų119.483%0.82573%0.734SS**PPolyproline II helixtrans-66.6123.5178.827.4-33.1000109.6A76P74-A76 PolarHBondContact O-N 3.26Å
75V43.1Very low44.3Very low141 Ų141122.1 Ų122.186%0.85575%0.747SS**PPolyproline II helixtrans-67.2118.3164.6177.70000106.8A73A73-V75 PolarHBondContact O-N 3.04Å
76A40.2Very low43.8Very low85 Ų85121.4 Ų121.470%0.70275%0.752SS**PPolyproline II helixtrans-61.5133.9-174.600000111.3P74P74-A76 PolarHBondContact O-N 3.26Å
77P51.1Low43.3Very low115 Ų115119.8 Ų119.875%0.74775%0.749SS**PPolyproline II helixtrans-70.1146.2174.530.1-34.3000110.4F79P77-F79 PolarHBondContact O-N 3.48Å
78P49.3Very low43.6Very low107 Ų107118.6 Ų118.670%0.69576%0.756SS**PPolyproline II helixtrans-69124.2171.229-32.4000110.1
79F36.3Very low43.8Very low185 Ų185117.4 Ų117.481%0.81176%0.756SS**  trans-23124.616341.5-88.7000115.8P77P77-F79 PolarHBondContact O-N 3.48Å
80S40.9Very low44.2Very low119 Ų119120.3 Ų120.383%0.83277%0.767SS**  trans-161.5114.1144.8-83.10000111.1
81S39.4Very low45.5Very low119 Ų119115.1 Ų115.183%0.83276%0.756SS**  trans-29.1143.5167.5-40.40000114.6
82S41.9Very low47.3Very low104 Ų104116 Ų11673%0.72775%0.748SS**  cis177.9157.349.948.80000112.6
83S42.3Very low49Very low125 Ų125114.3 Ų114.387%0.87473%0.733SS**  trans71.5104.3154.3-56.30000119.4
84G38.6Very low50.8Low77 Ų77115.6 Ų115.679%0.79473%0.729SS**  trans-179.38316900000111.3
85V44Very low52.8Low141 Ų141116.1 Ų116.186%0.85572%0.715SS**  trans-74.6150.5178.6176.10000109.9
86L46.8Very low54.6Low171 Ų171113.6 Ų113.690%0.89570%0.696SS**SBendtrans92.992.2-176.7-52.3177.8000114.5
87G45.3Very low56.6Low45 Ų45113.9 Ų113.946%0.46469%0.685SS.*  trans-178.1-33.7170.800000116.5G89 L90G87-G89 PolarHBondContact O-N 2.78Å; G87-L90 PolarHBondContact O-N 3.13Å
88N54.9Low57.8Low143 Ų143114.7 Ų114.777%0.76568%0.679SS**Hα-helixtrans-56.4-21.2-167.2-74.462.1000117.6
89G55.6Low59.2Low58 Ų58113.7 Ų113.760%0.59867%0.665SS**Hα-helixtrans-74.5-24-178.500000115.1G87G87-G89 PolarHBondContact O-N 2.78Å
90L58.3Low61Low131 Ų131110.5 Ų110.569%0.68666%0.656SS**Hα-helixtrans-82.7-35.4-178.1-66.2176.4000112.1G87 E92 L93 D94G87-L90 PolarHBondContact O-N 3.13Å; L90-E92 PolarHBondContact O-N 2.89Å; L90-L93 PolarHBondContact O-N 2.87Å; L90-D94 PolarHBondContact O-N 3.27Å
91C67.6Low62.4Low96 Ų96108.8 Ų108.865%0.64964%0.638SS**Hα-helixtrans-68.1-32.9178.8-54.50000112.7R95C91-R95 WeakPolarHBondContact O-CB 3.35Å; C91-R95 PolarHBondContact O-N 2.94Å; C91-R95 VanDerWaalsContact O-N 3.08Å
92E76.3Confident63.9Low132 Ų132105.9 Ų105.962%0.61762%0.621SS**Hα-helixtrans-69.8-38172.9-72.3-168.6128.700112.1L90 R95 L96L90-E92 PolarHBondContact O-N 2.89Å; E92-R95 PolarHBondContact O-N 3.01Å; E92-L96 WeakPolarHBondContact O-CB 3.47Å; E92-L96 VanDerWaalsContact O-CG 3.28Å; E92-L96 WeakPolarHBondContact O-CG 3.48Å; E92-L96 PolarHBondContact O-N 2.99Å
93L78.5Confident65.1Low102 Ų102104.6 Ų104.653%0.53461%0.609SS.*Hα-helixtrans-65.8-43.5176.9-168.271.2000111.5L90 L96 L97L90-L93 PolarHBondContact O-N 2.87Å; L93-L96 PolarHBondContact O-N 3.05Å; L93-L97 HydrophobicContact CD1-CD1 4.33Å; L93-L97 HydrophobicContact CG-CD1 4Å; L93-L97 VanDerWaalsContact O-CD1 3.27Å; L93-L97 WeakPolarHBondContact O-CD1 3.48Å; L93-L97 PolarHBondContact O-N 2.84Å
94D76.9Confident65.7Low105 Ų105104.6 Ų104.656%0.56160%0.595SS**Hα-helixtrans-64.2-42.4177.3-159.451.4000111.3L90 L96 L97 Q98L90-D94 PolarHBondContact O-N 3.27Å; D94-L96 VanDerWaalsContact C-N 3.33Å; D94-L96 PolarHBondContact O-N 2.79Å; D94-L97 PolarHBondContact O-N 3.16Å; D94-Q98 WeakPolarHBondContact O-CB 3.38Å; D94-Q98 PolarHBondContact O-N 2.86Å
95R81.9Confident66.4Low138 Ų138107.5 Ų107.552%0.52159%0.586SS.*Hα-helixtrans-59.7-41.1173.3-158.6-175.983.37020.8112.2C91 E92 Q98 E99C91-R95 WeakPolarHBondContact O-CB 3.35Å; C91-R95 PolarHBondContact O-N 2.94Å; C91-R95 VanDerWaalsContact O-N 3.08Å; E92-R95 PolarHBondContact O-N 3.01Å; R95-Q98 WeakPolarHBondContact O-CB 3.16Å; R95-Q98 PolarHBondContact O-N 3.38Å; R95-E99 IonicContact CZ-OE1 3.6Å; R95-E99 IonicContact CZ-OE2 3.37Å; R95-E99 IonicContact NH1-OE1 2.71Å; R95-E99 PolarHBondContact NH1-OE1 2.82Å; R95-E99 IonicContact NH1-OE2 2.66Å; R95-E99 IonicContact NH2-OE1 3.55Å; R95-E99 PolarHBondContact NH2-OE1 3.49Å; R95-E99 IonicContact NH2-OE2 3.37Å; R95-E99 PolarHBondContact NH2-OE2 3.05Å; R95-E99 WeakPolarHBondContact O-CG 3.33Å; R95-E99 PolarHBondContact O-N 3.49Å
96L81Confident66.9Low88 Ų88106.4 Ų106.446%0.46158%0.575SS.*Hα-helixtrans-70.6-37176.9-74.1168.4000112.7E92 L93 D94 Q98 E99 L100E92-L96 WeakPolarHBondContact O-CB 3.47Å; E92-L96 VanDerWaalsContact O-CG 3.28Å; E92-L96 WeakPolarHBondContact O-CG 3.48Å; E92-L96 PolarHBondContact O-N 2.99Å; L93-L96 PolarHBondContact O-N 3.05Å; D94-L96 VanDerWaalsContact C-N 3.33Å; D94-L96 PolarHBondContact O-N 2.79Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-E99 PolarHBondContact O-N 3.16Å; L96-L100 WeakPolarHBondContact O-CB 3.15Å; L96-L100 PolarHBondContact O-N 2.9Å
97L80.9Confident67.4Low90 Ų90103 Ų10347%0.47156%0.557SS.*Hα-helixtrans-63.8-38.8170.8-97.886.7000111.5L93 D94 L100 N101L93-L97 HydrophobicContact CD1-CD1 4.33Å; L93-L97 HydrophobicContact CG-CD1 4Å; L93-L97 VanDerWaalsContact O-CD1 3.27Å; L93-L97 WeakPolarHBondContact O-CD1 3.48Å; L93-L97 PolarHBondContact O-N 2.84Å; D94-L97 PolarHBondContact O-N 3.16Å; L97-L100 PolarHBondContact O-N 3.09Å; L97-N101 WeakPolarHBondContact O-CB 3.49Å; L97-N101 PolarHBondContact O-N 3.45Å; L97-N101 PolarHBondContact O-ND2 3.33Å
98Q77.1Confident67.9Low132 Ų132104.2 Ų104.262%0.61756%0.555SS**Hα-helixtrans-63.9-43.2175.8-153945000111.4D94 R95 L96 A102D94-Q98 WeakPolarHBondContact O-CB 3.38Å; D94-Q98 PolarHBondContact O-N 2.86Å; R95-Q98 WeakPolarHBondContact O-CB 3.16Å; R95-Q98 PolarHBondContact O-N 3.38Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; Q98-A102 VanDerWaalsContact O-CB 3.31Å; Q98-A102 WeakPolarHBondContact O-CB 3.09Å; Q98-A102 PolarHBondContact O-N 3.25Å
99E78.9Confident67.6Low86 Ų86103.1 Ų103.140%0.40255%0.549SS..Hα-helixtrans-67.2-37.7176.4-74.3177.9159.400112.7R95 L96 T103R95-E99 IonicContact CZ-OE1 3.6Å; R95-E99 IonicContact CZ-OE2 3.37Å; R95-E99 IonicContact NH1-OE1 2.71Å; R95-E99 PolarHBondContact NH1-OE1 2.82Å; R95-E99 IonicContact NH1-OE2 2.66Å; R95-E99 IonicContact NH2-OE1 3.55Å; R95-E99 PolarHBondContact NH2-OE1 3.49Å; R95-E99 IonicContact NH2-OE2 3.37Å; R95-E99 PolarHBondContact NH2-OE2 3.05Å; R95-E99 WeakPolarHBondContact O-CG 3.33Å; R95-E99 PolarHBondContact O-N 3.49Å; L96-E99 PolarHBondContact O-N 3.16Å; E99-T103 PolarHBondContact O-N 3.2Å; E99-T103 PolarHBondContact O-OG1 3.44Å
100L74.3Confident67.7Low118 Ų118106 Ų10662%0.61855%0.547SS*.Hα-helixtrans-67.8-42174.4-84.9164.8000112.8L96 L97 T103 Q104L96-L100 WeakPolarHBondContact O-CB 3.15Å; L96-L100 PolarHBondContact O-N 2.9Å; L97-L100 PolarHBondContact O-N 3.09Å; L100-T103 WeakPolarHBondContact CA-OG1 3.47Å; L100-T103 PolarHBondContact O-N 2.84Å; L100-T103 PolarHBondContact O-OG1 3.14Å; L100-T103 VanDerWaalsContact O-OG1 3.05Å; L100-Q104 PolarHBondContact O-N 3.34Å
101N69.4Low67.8Low84 Ų84104.4 Ų104.445%0.44954%0.539SS..Hα-helixtrans-66.7-42.9175.4-77.7-33.2000111.1L97 T103 Q104 F105L97-N101 WeakPolarHBondContact O-CB 3.49Å; L97-N101 PolarHBondContact O-N 3.45Å; L97-N101 PolarHBondContact O-ND2 3.33Å; N101-T103 VanDerWaalsContact C-N 3.32Å; N101-T103 PolarHBondContact O-N 3.33Å; N101-Q104 PolarHBondContact O-N 3.13Å; N101-F105 VanDerWaalsContact O-CD2 3.28Å; N101-F105 WeakPolarHBondContact O-CD2 3.3Å; N101-F105 PolarHBondContact O-N 3.03Å
102A70.7Confident67.2Low58 Ų58107.3 Ų107.348%0.47954%0.544SS..Hα-helixtrans-61.2-38.6177.300000112.9Q98 N106Q98-A102 VanDerWaalsContact O-CB 3.31Å; Q98-A102 WeakPolarHBondContact O-CB 3.09Å; Q98-A102 PolarHBondContact O-N 3.25Å; A102-N106 PolarHBondContact O-N 3.42Å
103T68.2Low66.1Low77 Ų77105.4 Ų105.447%0.47255%0.545SS..Hα-helixtrans-72.2-34.4176.244.50000112.8E99 L100 N101 F105 N106 I107E99-T103 PolarHBondContact O-N 3.2Å; E99-T103 PolarHBondContact O-OG1 3.44Å; L100-T103 WeakPolarHBondContact CA-OG1 3.47Å; L100-T103 PolarHBondContact O-N 2.84Å; L100-T103 PolarHBondContact O-OG1 3.14Å; L100-T103 VanDerWaalsContact O-OG1 3.05Å; N101-T103 VanDerWaalsContact C-N 3.32Å; N101-T103 PolarHBondContact O-N 3.33Å; T103-F105 PolarHBondContact O-N 3.28Å; T103-N106 PolarHBondContact O-N 3.23Å; T103-I107 WeakPolarHBondContact O-CD1 3.44Å; T103-I107 VanDerWaalsContact O-CG1 3.32Å; T103-I107 WeakPolarHBondContact O-CG1 3.48Å; T103-I107 PolarHBondContact O-N 3.41Å
104Q55Low64.9Low124 Ų124106.8 Ų106.858%0.57955%0.549SS*.Hα-helixtrans-61.9-42.5174.7-169.8-177.581.400112.4L100 N101 T108L100-Q104 PolarHBondContact O-N 3.34Å; N101-Q104 PolarHBondContact O-N 3.13Å; Q104-T108 PolarHBondContact O-N 3.42Å; Q104-T108 PolarHBondContact O-OG1 3.33Å
105F53.3Low63.3Low139 Ų139109.6 Ų109.661%0.6156%0.557SS**Hα-helixtrans-68.4-39.6179.2-80-71.9000113.3N101 T103 I107 T108 D109N101-F105 VanDerWaalsContact O-CD2 3.28Å; N101-F105 WeakPolarHBondContact O-CD2 3.3Å; N101-F105 PolarHBondContact O-N 3.03Å; T103-F105 PolarHBondContact O-N 3.28Å; F105-I107 PolarHBondContact O-N 2.96Å; F105-T108 PolarHBondContact O-N 3.36Å; F105-T108 PolarHBondContact O-OG1 2.82Å; F105-D109 PolarHBondContact O-N 2.88Å
106N55Low61Low118 Ų118108.6 Ų108.663%0.63157%0.568SS**Hα-helixtrans-63.3-41176.3-90.514.7000112.4A102 T103 T108 D109 E110A102-N106 PolarHBondContact O-N 3.42Å; T103-N106 PolarHBondContact O-N 3.23Å; N106-T108 VanDerWaalsContact C-N 3.28Å; N106-T108 PolarHBondContact O-N 3.15Å; N106-D109 PolarHBondContact O-N 3.22Å; N106-E110 WeakPolarHBondContact O-CB 3.4Å; N106-E110 PolarHBondContact O-N 2.95Å
107I56.7Low59Low99 Ų99110.5 Ų110.551%0.50859%0.589SS.*Hα-helixtrans-62.6-36.6178.4-66.8164.9000110.9T103 F105 I111T103-I107 WeakPolarHBondContact O-CD1 3.44Å; T103-I107 VanDerWaalsContact O-CG1 3.32Å; T103-I107 WeakPolarHBondContact O-CG1 3.48Å; T103-I107 PolarHBondContact O-N 3.41Å; F105-I107 PolarHBondContact O-N 2.96Å; I107-I111 HydrophobicContact CG2-CD1 3.64Å; I107-I111 HydrophobicContact CG2-CG1 4.4Å; I107-I111 WeakPolarHBondContact O-CB 3.3Å; I107-I111 VanDerWaalsContact O-CG1 3.25Å; I107-I111 WeakPolarHBondContact O-CG1 3.48Å; I107-I111 PolarHBondContact O-N 2.96Å
108T56.5Low57Low71 Ų71111.3 Ų111.344%0.43660%0.602SS.*Hα-helixtrans-68.7-37.8175.847.40000113.9Q104 F105 N106 M112Q104-T108 PolarHBondContact O-N 3.42Å; Q104-T108 PolarHBondContact O-OG1 3.33Å; F105-T108 PolarHBondContact O-N 3.36Å; F105-T108 PolarHBondContact O-OG1 2.82Å; N106-T108 VanDerWaalsContact C-N 3.28Å; N106-T108 PolarHBondContact O-N 3.15Å; T108-M112 WeakPolarHBondContact O-CB 3.21Å; T108-M112 WeakPolarHBondContact O-CG 3.34Å; T108-M112 PolarHBondContact O-N 3.06Å; T108-M112 VanDerWaalsContact O-N 3.12Å
109D48.5Very low54.9Low119 Ų119114.2 Ų114.264%0.63661%0.612SS**Hα-helixtrans-74-35.8178.2-124.6-43.7000111.6F105 N106 M112 S113F105-D109 PolarHBondContact O-N 2.88Å; N106-D109 PolarHBondContact O-N 3.22Å; D109-M112 PolarHBondContact O-N 3.46Å; D109-S113 WeakPolarHBondContact O-CB 3.32Å; D109-S113 PolarHBondContact O-N 3.38Å; D109-S113 PolarHBondContact O-OG 2.78Å
110E56.9Low53Low119 Ų119119.1 Ų119.156%0.55664%0.638SS**Hα-helixtrans-71.2-35.4177.7-158.3177.215300112.6N106 S113 Q114N106-E110 WeakPolarHBondContact O-CB 3.4Å; N106-E110 PolarHBondContact O-N 2.95Å; E110-S113 WeakPolarHBondContact CA-OG 3.44Å; E110-S113 PolarHBondContact O-OG 3.2Å; E110-Q114 WeakPolarHBondContact O-CG 3.42Å
111I59.4Low51.2Low98 Ų98117.6 Ų117.650%0.50364%0.642SS.*Hα-helixtrans-72.4-38173.5-68.3171.4000111.4I107 S113 Q114I107-I111 HydrophobicContact CG2-CD1 3.64Å; I107-I111 HydrophobicContact CG2-CG1 4.4Å; I107-I111 WeakPolarHBondContact O-CB 3.3Å; I107-I111 VanDerWaalsContact O-CG1 3.25Å; I107-I111 WeakPolarHBondContact O-CG1 3.48Å; I107-I111 PolarHBondContact O-N 2.96Å; I111-S113 PolarHBondContact O-N 3.43Å; I111-Q114 PolarHBondContact O-N 3.18Å
112M55.6Low49.6Very low157 Ų157123.1 Ų123.177%0.77367%0.665SS**Hα-helixtrans-72.4-15.4179-72.7-177.370.300113.9T108 D109T108-M112 WeakPolarHBondContact O-CB 3.21Å; T108-M112 WeakPolarHBondContact O-CG 3.34Å; T108-M112 PolarHBondContact O-N 3.06Å; T108-M112 VanDerWaalsContact O-N 3.12Å; D109-M112 PolarHBondContact O-N 3.46Å
113S54.3Low48Very low91 Ų91124.3 Ų124.364%0.63668%0.683SS**THydrogen-bonded Turntrans-97.5-4.6178.348.70000114.7D109 E110 I111D109-S113 WeakPolarHBondContact O-CB 3.32Å; D109-S113 PolarHBondContact O-N 3.38Å; D109-S113 PolarHBondContact O-OG 2.78Å; E110-S113 WeakPolarHBondContact CA-OG 3.44Å; E110-S113 PolarHBondContact O-OG 3.2Å; I111-S113 PolarHBondContact O-N 3.43Å
114Q51.9Low46.5Very low131 Ų131130.4 Ų130.461%0.61271%0.706SS**SBendtrans-97.30.6178.9-71.7-176.926.900115.3E110 I111 P116E110-Q114 WeakPolarHBondContact O-CG 3.42Å; I111-Q114 PolarHBondContact O-N 3.18Å; Q114-P116 VanDerWaalsContact O-CD 3.27Å; Q114-P116 WeakPolarHBondContact O-CD 3.29Å
115F44.1Very low45.6Very low165 Ų165127.9 Ų127.972%0.72471%0.713SS**  trans-110.495.1177.2-75.1-80.6000112.9S117F115-S117 PolarHBondContact O-N 2.85Å
116P34Very low44.8Very low117 Ų117129.8 Ų129.876%0.7672%0.721SS**  trans-78.8100.8173.431.1-32.9000111Q114 S118Q114-P116 VanDerWaalsContact O-CD 3.27Å; Q114-P116 WeakPolarHBondContact O-CD 3.29Å; P116-S118 PolarHBondContact O-N 3.11Å
117S37.4Very low43.8Very low128 Ų128131.3 Ų131.390%0.89572%0.724SS**  trans-71.585.9172.7-660000112.1F115F115-S117 PolarHBondContact O-N 2.85Å
118S40Very low42.9Very low106 Ų106132.5 Ų132.574%0.74173%0.732SS**  trans-82.8121.8172.557.30000112.6P116P116-S118 PolarHBondContact O-N 3.11Å
119K33.5Very low42.2Very low193 Ų193137 Ų13784%0.83975%0.748SS**  trans25129.8145-72-178.6170.8179.80119
120M38Very low42Very low190 Ų190135.5 Ų135.594%0.93675%0.747SS**  -174.4172.991.6-92.4-148.7-91.600112.4
121A36.7Very low41.2Very low85 Ų85138.3 Ų138.370%0.70276%0.76SS**  trans-107157.3-172.600000112.5
122E36.7Very low40.4Very low201 Ų201139.5 Ų139.594%0.93977%0.767SS**  trans53125157-63.4178.8141.800119.7
123G36.4Very low40Very low82 Ų82140.4 Ų140.485%0.84577%0.767SS**  trans154.3104.7167.100000114.7
124E36.6Very low39.2Very low206 Ų206140.6 Ų140.696%0.96377%0.768SS**  trans-58.6154.7-176.1-59.31618400117
125G35.2Very low38.4Very low71 Ų71141.3 Ų141.373%0.73278%0.775SS**  trans13399.6135.700000121
126K37.2Very low37.9Very low178 Ų178139.3 Ų139.377%0.77478%0.776SS**  trans66.9122.6145.3-68179.8158.6-97.30120
127E34Very low37.9Very low150 Ų150139.7 Ų139.770%0.70178%0.777SS**  66.4126.7105.1-61.2168.8129.400112.8
128D37.5Very low38Very low125 Ų125139.7 Ų139.767%0.66877%0.771SS**  cis-163.817633.2-142.2-31.4000114
129Q43.3Very low38Very low164 Ų164140.8 Ų140.877%0.76678%0.775SS**  trans-6.4158.7161.4-76.8161.992.700121.8
130S44.3Very low37.9Very low88 Ų88137.3 Ų137.362%0.61578%0.775SS**  cis-172161.63.843.50000112.7
131E39.4Very low37.9Very low179 Ų179134 Ų13484%0.83677%0.771SS**  trans37.6157.1141.7-58.6168118.400121.8
132D41.8Very low37.7Very low122 Ų122135.9 Ų135.965%0.65277%0.774SS**  cis-160.3132.914.9-154.8-130.1000106.3
133K47.1Very low38.1Very low176 Ų176136 Ų13677%0.76577%0.772SS**  89.1152.877-165.5179176.6-176.50117.7
134S37.2Very low38.1Very low95 Ų95137.8 Ų137.866%0.66477%0.769SS**  trans77.6107.4166.5-156.40000117.6
135I35.2Very low37.8Very low147 Ų147132.9 Ų132.975%0.75476%0.763SS**  69.8119.866.3-58.3164.6000114.2
136T35Very low38.1Very low123 Ų123134.9 Ų134.976%0.75576%0.763SS**  trans164.4101.8134.4-69.40000109.8
137T33.7Very low38.4Very low125 Ų125132.1 Ų132.177%0.76777%0.766SS**  82127.993.3-41.60000116.1
138V40Very low38.6Very low128 Ų128134.8 Ų134.878%0.77678%0.775SS**  trans-75.2167.7177.7-69.50000114
139P39.8Very low39Very low128 Ų128134.5 Ų134.583%0.83178%0.781SS**  -146.5166.5111.237.8-22.4000116.6
140S31.6Very low39.3Very low120 Ų120132.3 Ų132.384%0.83978%0.783SS**  trans-83.8163.8-176.1-40.20000115
141S37.8Very low39.2Very low121 Ų121131.7 Ų131.785%0.84678%0.783SS**  trans-135.7135.5160.265.40000113.2
142T32.2Very low40.3Very low125 Ų125128 Ų12877%0.76777%0.774SS**  trans-91162.2177.3-22.60000111
143F44.2Very low41.6Very low204 Ų204125.6 Ų125.690%0.89577%0.766SS**  trans169.2170.5146.7-83.1-48.1000110
144P37.1Very low42.6Very low119 Ų119120.3 Ų120.377%0.77376%0.755SS**  -128.4-178.7-92.729.2-4.1000115.1
145A31.3Very low44.3Very low102 Ų102119 Ų11984%0.84374%0.743SS**  trans-98.5155.7-175.300000115.4
146P41Very low46.2Very low114 Ų114116.7 Ų116.774%0.7473%0.729SS**  trans-130.8132.416336.5-21.7000116.8
147S43.8Very low48.3Very low120 Ų120115.6 Ų115.684%0.83972%0.715SS**  trans38.1135.9142.858.10000124.6
148K36.8Very low50.4Low205 Ų205114.7 Ų114.789%0.89171%0.706SS**  trans-80.9155171.4-53.5170.5179.8176.70114.3
149P46.4Very low52.3Low120 Ų120114 Ų11478%0.77970%0.697SS**  trans-120.7126.1140.234.1-23.4000110.8
150S49Very low54.3Low117 Ų117114.9 Ų114.982%0.81868%0.684SS**  77.9123.489.2-156.10000114
151A43.6Very low56.6Low75 Ų75114.4 Ų114.462%0.6267%0.672SS**  trans-72.1146.7-166.900000114.3
152T61.7Low58.4Low103 Ų103114.3 Ų114.363%0.63266%0.659SS**  trans-81152.4-178.342.30000113.2A154 T155T152-A154 PolarHBondContact O-N 2.81Å; T152-T155 PolarHBondContact O-N 3.42Å; T152-T155 PolarHBondContact O-OG1 3.27Å; T152-T155 VanDerWaalsContact O-OG1 3.08Å
153S69.7Low60.7Low71 Ų71110.9 Ų110.950%0.49764%0.644SS.*Hα-helixtrans-46.6-37.7-175.8-165.40000114.6T155 Q156 E157S153-T155 PolarHBondContact O-N 2.7Å; S153-T155 VanDerWaalsContact O-N 3.14Å; S153-Q156 PolarHBondContact O-N 3.43Å; S153-E157 WeakPolarHBondContact CB-OE1 3.47Å; S153-E157 PolarHBondContact O-N 3.43Å; S153-E157 PolarHBondContact OG-OE1 3.06Å
154A67Low62.3Low65 Ų65104.9 Ų104.954%0.53763%0.627SS.*Hα-helixtrans-56-30.6-178.600000114.2T152 L158T152-A154 PolarHBondContact O-N 2.81Å; A154-L158 PolarHBondContact O-N 3.29Å
155T74.8Confident63.6Low66 Ų66105.6 Ų105.641%0.40562%0.624SS.*Hα-helixtrans-74.9-37.2176.361.10000112T152 S153 E157 L158 D159T152-T155 PolarHBondContact O-N 3.42Å; T152-T155 PolarHBondContact O-OG1 3.27Å; T152-T155 VanDerWaalsContact O-OG1 3.08Å; S153-T155 PolarHBondContact O-N 2.7Å; S153-T155 VanDerWaalsContact O-N 3.14Å; T155-E157 VanDerWaalsContact C-N 3.31Å; T155-E157 PolarHBondContact O-N 3.22Å; T155-L158 PolarHBondContact O-N 3.04Å; T155-D159 PolarHBondContact O-N 2.88Å
156Q74.5Confident65.4Low99 Ų99105.1 Ų105.146%0.46361%0.614SS.*Hα-helixtrans-68.7-30.4174.6-64.8-173.519.100112.5S153 R160S153-Q156 PolarHBondContact O-N 3.43Å; Q156-R160 WeakPolarHBondContact O-CB 3.49Å; Q156-R160 VanDerWaalsContact O-CG 3.26Å; Q156-R160 WeakPolarHBondContact O-CG 3.16Å; Q156-R160 PolarHBondContact O-N 2.93Å
157E78.1Confident66.3Low100 Ų100106.3 Ų106.347%0.46761%0.614SS.*Hα-helixtrans-68.7-39174-73.2162.1-135.800111.3S153 T155 R160 L161S153-E157 WeakPolarHBondContact CB-OE1 3.47Å; S153-E157 PolarHBondContact O-N 3.43Å; S153-E157 PolarHBondContact OG-OE1 3.06Å; T155-E157 VanDerWaalsContact C-N 3.31Å; T155-E157 PolarHBondContact O-N 3.22Å; E157-R160 PolarHBondContact O-N 3.49Å; E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 2.93Å
158L78.7Confident66.6Low107 Ų107108.7 Ų108.756%0.5661%0.61SS**Hα-helixtrans-65.8-44.8173.1-172.663.1000112.1A154 T155 R160 L161 M162A154-L158 PolarHBondContact O-N 3.29Å; T155-L158 PolarHBondContact O-N 3.04Å; L158-R160 VanDerWaalsContact C-N 3.33Å; L158-R160 PolarHBondContact O-N 3.2Å; L158-L161 PolarHBondContact O-N 3.45Å; L158-M162 WeakPolarHBondContact O-CB 3.5Å; L158-M162 WeakPolarHBondContact O-CG 3.31Å; L158-M162 PolarHBondContact O-N 3.44Å
159D80.2Confident67.4Low113 Ų113109.5 Ų109.560%0.60461%0.607SS**Hα-helixtrans-62-38.8176.2-76-29.1000112T155 M162 A163T155-D159 PolarHBondContact O-N 2.88Å; D159-M162 PolarHBondContact O-N 3.25Å; D159-A163 WeakPolarHBondContact O-CB 3.42Å; D159-A163 PolarHBondContact O-N 3.19Å
160R80.5Confident67.6Low147 Ų147108.6 Ų108.656%0.55560%0.599SS**Hα-helixtrans-65.2-39.2173.9-75.5176.1-171.6122.410.9112.5Q156 E157 L158 S164Q156-R160 WeakPolarHBondContact O-CB 3.49Å; Q156-R160 VanDerWaalsContact O-CG 3.26Å; Q156-R160 WeakPolarHBondContact O-CG 3.16Å; Q156-R160 PolarHBondContact O-N 2.93Å; E157-R160 PolarHBondContact O-N 3.49Å; L158-R160 VanDerWaalsContact C-N 3.33Å; L158-R160 PolarHBondContact O-N 3.2Å; R160-S164 WeakPolarHBondContact O-CB 3.47Å; R160-S164 PolarHBondContact O-N 2.7Å; R160-S164 PolarHBondContact O-OG 3.27Å
161L79.7Confident67.4Low110 Ų110109.7 Ų109.758%0.57659%0.591SS**Hα-helixtrans-67.8-42.2174.8-76.9165.4000111.6E157 L158 S164 L165E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 2.93Å; L158-L161 PolarHBondContact O-N 3.45Å; L161-S164 PolarHBondContact O-N 2.74Å; L161-L165 WeakPolarHBondContact O-CG 3.28Å; L161-L165 PolarHBondContact O-N 3Å
162M77.1Confident67.2Low119 Ų119112.7 Ų112.759%0.58660%0.597SS**Hα-helixtrans-62.9-42.1176.2-74.5-62.2-59.100112L158 D159 L165 S166L158-M162 WeakPolarHBondContact O-CB 3.5Å; L158-M162 WeakPolarHBondContact O-CG 3.31Å; L158-M162 PolarHBondContact O-N 3.44Å; D159-M162 PolarHBondContact O-N 3.25Å; M162-L165 PolarHBondContact O-N 3.26Å; M162-S166 PolarHBondContact O-N 3.45Å
163A80.8Confident66.2Low53 Ų53114.9 Ų114.944%0.43860%0.6SS.*Hα-helixtrans-61.6-46.5171.900000111.6D159 L165 S166D159-A163 WeakPolarHBondContact O-CB 3.42Å; D159-A163 PolarHBondContact O-N 3.19Å; A163-L165 PolarHBondContact O-N 2.85Å; A163-S166 WeakPolarHBondContact O-CB 3.48Å; A163-S166 PolarHBondContact O-N 3Å; A163-S166 PolarHBondContact O-OG 3.31Å
164S75.9Confident64.5Low78 Ų78119.1 Ų119.155%0.54562%0.616SS.*Hα-helixtrans-63.2-26.9-178.3-56.60000113.8R160 L161R160-S164 WeakPolarHBondContact O-CB 3.47Å; R160-S164 PolarHBondContact O-N 2.7Å; R160-S164 PolarHBondContact O-OG 3.27Å; L161-S164 PolarHBondContact O-N 2.74Å
165L64.4Low63.3Low134 Ų134122 Ų12270%0.70263%0.629SS**Hα-helixtrans-82.2-16.2174.9-68.7174.8000113.3L161 M162 A163L161-L165 WeakPolarHBondContact O-CG 3.28Å; L161-L165 PolarHBondContact O-N 3Å; M162-L165 PolarHBondContact O-N 3.26Å; A163-L165 PolarHBondContact O-N 2.85Å
166S69.9Low61.6Low91 Ų91123 Ų12364%0.63665%0.645SS**Hα-helixtrans-77.8-21.4177.173.60000113.7M162 A163M162-S166 PolarHBondContact O-N 3.45Å; A163-S166 WeakPolarHBondContact O-CB 3.48Å; A163-S166 PolarHBondContact O-N 3Å; A163-S166 PolarHBondContact O-OG 3.31Å
167D60.8Low60Low140 Ų140124.3 Ų124.375%0.74966%0.664SS**SBendtrans-87.5-6.2178.2-78.9-47.6000114.5R169D167-R169 PolarHBondContact O-N 3.44Å
168F49Very low58Low170 Ų170123 Ų12375%0.74668%0.677SS**  trans-79.163.9175.3-158.8-96.5000112.1V170F168-V170 HydrophobicContact CD1-CG2 4.08Å; F168-V170 HydrophobicContact CE1-CG2 3.92Å; F168-V170 PolarHBondContact O-N 2.84Å; F168-V170 VanDerWaalsContact O-N 3.14Å
169R53.5Low56.3Low222 Ų222123.8 Ų123.884%0.83869%0.689SS**  trans-75.999.9177.5-160.6171.9-167.4142.71.2109.7D167 Q171D167-R169 PolarHBondContact O-N 3.44Å; R169-Q171 PolarHBondContact O-N 2.98Å; R169-Q171 VanDerWaalsContact O-N 3.09Å
170V50.3Low54.4Low100 Ų100124.7 Ų124.761%0.60670%0.701SS**  trans-57.6115.6176.6175.30000110.1F168 N172F168-V170 HydrophobicContact CD1-CG2 4.08Å; F168-V170 HydrophobicContact CE1-CG2 3.92Å; F168-V170 PolarHBondContact O-N 2.84Å; F168-V170 VanDerWaalsContact O-N 3.14Å; V170-N172 PolarHBondContact O-N 3.23Å
171Q44.7Very low52.8Low140 Ų140126.7 Ų126.765%0.65472%0.717SS**  trans-76.765.9-175.8-164.293.9-2.800111.8R169 H173R169-Q171 PolarHBondContact O-N 2.98Å; R169-Q171 VanDerWaalsContact O-N 3.09Å; Q171-H173 WeakPolarHBondContact CG-NE2 3.41Å; Q171-H173 PolarHBondContact NE2-CE1 2.69Å; Q171-H173 VanDerWaalsContact NE2-CE1 3.26Å; Q171-H173 PolarHBondContact NE2-NE2 2.98Å; Q171-H173 PolarHBondContact O-N 2.9Å; Q171-H173 VanDerWaalsContact O-N 3.13Å
172N41Very low51Low139 Ų139127 Ų12774%0.74373%0.726SS**  trans-78.594.1175.4-110.34.5000110.6V170 L174V170-N172 PolarHBondContact O-N 3.23Å; N172-L174 PolarHBondContact O-N 3.23Å
173H39.5Very low49.5Very low148 Ų148127.6 Ų127.669%0.68574%0.738SS**  trans-81.9111172.9-70.3-63.5000111.5Q171Q171-H173 WeakPolarHBondContact CG-NE2 3.41Å; Q171-H173 PolarHBondContact NE2-CE1 2.69Å; Q171-H173 VanDerWaalsContact NE2-CE1 3.26Å; Q171-H173 PolarHBondContact NE2-NE2 2.98Å; Q171-H173 PolarHBondContact O-N 2.9Å; Q171-H173 VanDerWaalsContact O-N 3.13Å
174L34.7Very low47.3Very low160 Ų160129.5 Ų129.584%0.83875%0.754SS**  trans-121.8113.1167.9-87.1157.9000109N172N172-L174 PolarHBondContact O-N 3.23Å
175P42Very low45.9Very low125 Ų125132.8 Ų132.881%0.81277%0.771SS**  trans-83.6144.6165.8-5.123.8000110.7
176A39.2Very low45Very low89 Ų89131.4 Ų131.474%0.73677%0.772SS**  trans-99.5167.9-172.100000114.4
177S39.6Very low43.9Very low125 Ų125132.6 Ų132.687%0.87478%0.777SS**  trans71.1129.2147.462.90000121.5
178G36.4Very low42.7Very low72 Ų72132.7 Ų132.774%0.74278%0.783SS**  trans127.599.4147.500000117.2
179P43.2Very low42.1Very low125 Ų125134.6 Ų134.681%0.81279%0.786SS**  trans-100.8153.6168.837.4-31.2000113.1
180P41.2Very low41.3Very low132 Ų132132.3 Ų132.386%0.85778%0.784SS**  trans-133.8167.3144.425.4-6.1000114.7
181Q45.6Very low40.7Very low188 Ų188131.3 Ų131.388%0.87980%0.795SS**  trans-79.5163.1-165-63.6166.9-86.100115.7
182P42.2Very low40.1Very low118 Ų118130.1 Ų130.177%0.76680%0.801SS**  trans-94.8160.1168.438.3-33.9000113.1
183P46.8Very low40.1Very low131 Ų131129.7 Ų129.785%0.85181%0.805SS**  trans-112.5151.715836.1-26.7000112.5
184A33.6Very low40.2Very low92 Ų92127.6 Ų127.676%0.7681%0.807SS**  trans-123.3141.1178.200000111.3
185V46Very low41Very low148 Ų148125.5 Ų125.590%0.89780%0.803SS**  trans-148146.4158.1-163.50000109
186S45.1Very low41.1Very low105 Ų105125.2 Ų125.273%0.73480%0.802SS**  trans-117.9-159.7-166.9-440000112.1
187P46.6Very low40.7Very low115 Ų115124.4 Ų124.475%0.74780%0.801SS**  -131.5174.9-123.337.7-15.9000116.8
188T37.2Very low40.9Very low143 Ų143127.8 Ų127.888%0.87780%0.803SS**  trans-175.2160.7162.426.80000109.4
189R36Very low40.8Very low209 Ų209130.4 Ų130.479%0.78981%0.805SS**  cis-168.5160.2-42.6-145.7-171.5-171.2-161.35.3107.1
190E36.9Very low41.1Very low174 Ų174131 Ų13181%0.81380%0.801SS**  trans70.1143.9166.6-62.9160.9-162.700116.8
191G37.1Very low41.4Very low80 Ų80134.9 Ų134.983%0.82581%0.805SS**  cis-158.7175.4-200000112.3
192C32Very low42Very low115 Ų115128.3 Ų128.378%0.77779%0.788SS**  trans-110.3151.8-173.7-169.80000111.7
193P41.4Very low43Very low129 Ų129125.6 Ų125.684%0.83877%0.772SS**  -145.7165.3115.935.1-18.1000116.1
194S41.1Very low44Very low104 Ų104125.2 Ų125.273%0.72776%0.762SS**  trans-115.4-165.517858.50000110.4
195P51.6Low45.8Very low116 Ų116126.7 Ų126.775%0.75376%0.757SS**  cis-114.6-129.8-26.435.7-14.8000108
196P43.5Very low47.3Very low120 Ų120123.9 Ų123.978%0.77974%0.74SS**  cis-129.4170.2-31.436.6-18.9000117
197G32.6Very low48.5Very low71 Ų71123.9 Ų123.973%0.73273%0.73SS**  trans0.8136159.700000124.8
198Q44Very low50Low196 Ų196123.3 Ų123.392%0.91672%0.72SS**  -162.3149.4118.4-107.4170.226.800113.6
199T34.1Very low51.7Low128 Ų128118.3 Ų118.379%0.78570%0.697SS**  trans-48.9128.9-179.349.10000116.1
200N49.7Very low53.8Low136 Ų136113.6 Ų113.673%0.72769%0.687SS**  trans-157.1107.9152.2-120.6-33.1000114G202 S203N200-G202 PolarHBondContact O-N 3.48Å; N200-G202 VanDerWaalsContact O-N 3.11Å; N200-S203 PolarHBondContact O-N 3.06Å
201K47.6Very low55.3Low215 Ų215110.5 Ų110.594%0.93568%0.675SS**THydrogen-bonded Turntrans-724-176.5-89.8-176172.6-178.40115.3
202G56.7Low56.9Low50 Ų50113.5 Ų113.552%0.51567%0.668SS.*THydrogen-bonded Turntrans-112.86.2174.200000115.1N200N200-G202 PolarHBondContact O-N 3.48Å; N200-G202 VanDerWaalsContact O-N 3.11Å
203S63.3Low58.8Low61 Ų61111.2 Ų111.243%0.42765%0.653SS.*Hα-helixtrans-82.1-29.9-177.2-174.40000113.4N200 T206 M207N200-S203 PolarHBondContact O-N 3.06Å; S203-T206 PolarHBondContact O-N 2.9Å; S203-M207 WeakPolarHBondContact O-CB 3.4Å; S203-M207 WeakPolarHBondContact O-CG 3.26Å; S203-M207 PolarHBondContact O-N 2.9Å
204L67.8Low60.3Low123 Ų123109.2 Ų109.264%0.64464%0.635SS**Hα-helixtrans-67.3-42.1-171.7-66.3176.8000113.1T206 M207 L208L204-T206 PolarHBondContact O-N 3.42Å; L204-M207 WeakPolarHBondContact O-CB 3.32Å; L204-M207 PolarHBondContact O-N 3.15Å; L204-L208 WeakPolarHBondContact O-CB 3.45Å; L204-L208 VanDerWaalsContact O-CG 3.3Å; L204-L208 WeakPolarHBondContact O-CG 3.47Å; L204-L208 PolarHBondContact O-N 3.24Å
205D72.2Confident61.6Low122 Ų122107.7 Ų107.765%0.65262%0.619SS**Hα-helixtrans-65.8-38.8179-59.8-84000112.3L208 G209D205-L208 PolarHBondContact O-N 3.37Å; D205-G209 PolarHBondContact O-N 2.89Å
206T76.5Confident62.4Low90 Ų90106.2 Ų106.255%0.55261%0.611SS**Hα-helixtrans-63.6-43.3172.3-57.60000111.3S203 L204 G209 L210S203-T206 PolarHBondContact O-N 2.9Å; L204-T206 PolarHBondContact O-N 3.42Å; T206-G209 PolarHBondContact O-N 2.71Å; T206-L210 HydrophobicContact CG2-CD1 4.14Å; T206-L210 WeakPolarHBondContact O-CB 3.27Å; T206-L210 WeakPolarHBondContact O-CG 3.46Å; T206-L210 PolarHBondContact O-N 3.42Å
207M71.7Confident63.7Low104 Ų104111.1 Ų111.151%0.51261%0.614SS.*Hα-helixtrans-62.6-41.7175.5-69.1-94.8-74.800111.6S203 L204 L210 L211S203-M207 WeakPolarHBondContact O-CB 3.4Å; S203-M207 WeakPolarHBondContact O-CG 3.26Å; S203-M207 PolarHBondContact O-N 2.9Å; L204-M207 WeakPolarHBondContact O-CB 3.32Å; L204-M207 PolarHBondContact O-N 3.15Å; M207-L210 PolarHBondContact O-N 3.38Å; M207-L211 VanDerWaalsContact O-CB 3.32Å; M207-L211 WeakPolarHBondContact O-CB 3.5Å; M207-L211 WeakPolarHBondContact O-CD1 3.38Å; M207-L211 WeakPolarHBondContact O-CG 3.49Å; M207-L211 PolarHBondContact O-N 3.42Å
208L76.6Confident65.2Low104 Ų104116.9 Ų116.955%0.54561%0.613SS.*Hα-helixtrans-64.8-43.8176.4-72.7169.3000112L204 D205 L211 Q212L204-L208 WeakPolarHBondContact O-CB 3.45Å; L204-L208 VanDerWaalsContact O-CG 3.3Å; L204-L208 WeakPolarHBondContact O-CG 3.47Å; L204-L208 PolarHBondContact O-N 3.24Å; D205-L208 PolarHBondContact O-N 3.37Å; L208-L211 PolarHBondContact O-N 3.01Å; L208-Q212 WeakPolarHBondContact O-CB 3.36Å; L208-Q212 PolarHBondContact O-N 2.85Å
209G74.2Confident65.7Low38 Ų38110.5 Ų110.539%0.39260%0.6SS.*Hα-helixtrans-62.9-40.817600000113.1D205 T206 S213D205-G209 PolarHBondContact O-N 2.89Å; T206-G209 PolarHBondContact O-N 2.71Å; G209-S213 WeakPolarHBondContact O-CB 3.39Å; G209-S213 PolarHBondContact O-N 3.2Å; G209-S213 VanDerWaalsContact O-N 3.09Å; G209-S213 PolarHBondContact O-OG 3.24Å
210L78.5Confident66.8Low109 Ų109108.2 Ų108.257%0.57159%0.586SS**Hα-helixtrans-65.7-47.4173.4-72.1170.5000111.5T206 M207 Q212 S213 D214T206-L210 HydrophobicContact CG2-CD1 4.14Å; T206-L210 WeakPolarHBondContact O-CB 3.27Å; T206-L210 WeakPolarHBondContact O-CG 3.46Å; T206-L210 PolarHBondContact O-N 3.42Å; M207-L210 PolarHBondContact O-N 3.38Å; L210-Q212 VanDerWaalsContact C-N 3.31Å; L210-Q212 PolarHBondContact O-N 3.02Å; L210-S213 CarbonylContact O-C 3.6Å; L210-S213 WeakPolarHBondContact O-CA 3.02Å; L210-S213 WeakPolarHBondContact O-CB 3.48Å; L210-S213 PolarHBondContact O-N 3.46Å; L210-S213 VanDerWaalsContact O-N 3.08Å; L210-D214 PolarHBondContact O-N 2.88Å
211L68.5Low67Low109 Ų109107.2 Ų107.257%0.57159%0.587SS**Hα-helixtrans-58.7-41.3177.3-75.2166.3000112.1M207 L208 S213 D214 L215M207-L211 VanDerWaalsContact O-CB 3.32Å; M207-L211 WeakPolarHBondContact O-CB 3.5Å; M207-L211 WeakPolarHBondContact O-CD1 3.38Å; M207-L211 WeakPolarHBondContact O-CG 3.49Å; M207-L211 PolarHBondContact O-N 3.42Å; L208-L211 PolarHBondContact O-N 3.01Å; L211-S213 VanDerWaalsContact C-N 3.31Å; L211-S213 PolarHBondContact O-N 3.01Å; L211-D214 PolarHBondContact O-N 2.85Å; L211-L215 VanDerWaalsContact O-CB 3.3Å; L211-L215 WeakPolarHBondContact O-CB 3.37Å; L211-L215 PolarHBondContact O-N 3.5Å
212Q72Confident67.5Low144 Ų144100.7 Ų100.767%0.67357%0.565SS**Hα-helixtrans-69.7-29.6177.4-168.6152.67.700112.6L208 L210 S216L208-Q212 WeakPolarHBondContact O-CB 3.36Å; L208-Q212 PolarHBondContact O-N 2.85Å; L210-Q212 VanDerWaalsContact C-N 3.31Å; L210-Q212 PolarHBondContact O-N 3.02Å; Q212-S216 WeakPolarHBondContact O-CB 3.46Å; Q212-S216 PolarHBondContact O-N 3.02Å; Q212-S216 PolarHBondContact O-OG 3.31Å
213S70.9Confident67.8Low66 Ų66106.3 Ų106.346%0.46258%0.578SS.*Hα-helixtrans-73.2-36.4172.3-56.40000112.6G209 L210 L211 S216 R217G209-S213 WeakPolarHBondContact O-CB 3.39Å; G209-S213 PolarHBondContact O-N 3.2Å; G209-S213 VanDerWaalsContact O-N 3.09Å; G209-S213 PolarHBondContact O-OG 3.24Å; L210-S213 CarbonylContact O-C 3.6Å; L210-S213 WeakPolarHBondContact O-CA 3.02Å; L210-S213 WeakPolarHBondContact O-CB 3.48Å; L210-S213 PolarHBondContact O-N 3.46Å; L210-S213 VanDerWaalsContact O-N 3.08Å; L211-S213 VanDerWaalsContact C-N 3.31Å; L211-S213 PolarHBondContact O-N 3.01Å; S213-S216 WeakPolarHBondContact CA-OG 3.37Å; S213-S216 PolarHBondContact O-OG 3.27Å; S213-S216 VanDerWaalsContact O-OG 3.04Å; S213-R217 WeakPolarHBondContact O-CB 3.34Å; S213-R217 WeakPolarHBondContact O-CG 3.36Å; S213-R217 PolarHBondContact O-N 3.47Å; S213-R217 VanDerWaalsContact O-N 3.13Å
214D73.4Confident68Low88 Ų88106 Ų10647%0.47158%0.579SS.*Hα-helixtrans-72.7-41.5176.3-128-71.6000111.6L210 L211 S216 R217 R218L210-D214 PolarHBondContact O-N 2.88Å; L211-D214 PolarHBondContact O-N 2.85Å; D214-S216 VanDerWaalsContact C-N 3.34Å; D214-S216 PolarHBondContact O-N 3.39Å; D214-R217 PolarHBondContact O-N 2.92Å; D214-R218 WeakPolarHBondContact O-CB 3.35Å; D214-R218 WeakPolarHBondContact O-CG 3.38Å; D214-R218 PolarHBondContact O-N 3.48Å; D214-R218 IonicContact OD1-NE 3.63Å
215L69.4Low68.4Low72 Ų72105.6 Ų105.638%0.37757%0.572SS.*Hα-helixtrans-65.4-38.2-179.8-157.868.3000111.9L211 R218 T222L211-L215 VanDerWaalsContact O-CB 3.3Å; L211-L215 WeakPolarHBondContact O-CB 3.37Å; L211-L215 PolarHBondContact O-N 3.5Å; L215-R218 PolarHBondContact O-N 3.01Å; L215-T222 HydrophobicContact CD2-CG2 3.66Å; L215-T222 HydrophobicContact CG-CG2 4.35Å
216S68.3Low69.1Low85 Ų85101.6 Ų101.659%0.59456%0.56SS**Hα-helixtrans-70.4-39173.150.20000112.6Q212 S213 D214 R218 G219Q212-S216 WeakPolarHBondContact O-CB 3.46Å; Q212-S216 PolarHBondContact O-N 3.02Å; Q212-S216 PolarHBondContact O-OG 3.31Å; S213-S216 WeakPolarHBondContact CA-OG 3.37Å; S213-S216 PolarHBondContact O-OG 3.27Å; S213-S216 VanDerWaalsContact O-OG 3.04Å; D214-S216 VanDerWaalsContact C-N 3.34Å; D214-S216 PolarHBondContact O-N 3.39Å; S216-R218 VanDerWaalsContact C-N 3.31Å; S216-R218 PolarHBondContact O-N 2.98Å; S216-G219 PolarHBondContact O-N 3.31Å
217R69.4Low69.8Low223 Ų223102.4 Ų102.484%0.84256%0.56SS**Hα-helixtrans-64.4-31.4171.5-81.8-179167.9-135.6-2.9113.8S213 D214 G219S213-R217 WeakPolarHBondContact O-CB 3.34Å; S213-R217 WeakPolarHBondContact O-CG 3.36Å; S213-R217 PolarHBondContact O-N 3.47Å; S213-R217 VanDerWaalsContact O-N 3.13Å; D214-R217 PolarHBondContact O-N 2.92Å; R217-G219 PolarHBondContact O-N 3.32Å
218R64Low70.8Confident191 Ų19197.5 Ų97.572%0.72154%0.536SS*.THydrogen-bonded Turntrans-78.57.8178.7-78.2175.4162.3-95.1-2.9114.5D214 L215 S216 V220D214-R218 WeakPolarHBondContact O-CB 3.35Å; D214-R218 WeakPolarHBondContact O-CG 3.38Å; D214-R218 PolarHBondContact O-N 3.48Å; D214-R218 IonicContact OD1-NE 3.63Å; L215-R218 PolarHBondContact O-N 3.01Å; S216-R218 VanDerWaalsContact C-N 3.31Å; S216-R218 PolarHBondContact O-N 2.98Å; R218-V220 PolarHBondContact O-N 3.23Å
219G55.4Low71.4Confident62 Ų6293.3 Ų93.364%0.63952%0.518SS*.THydrogen-bonded Turntrans68.218.6172.500000114.4S216 R217 P221S216-G219 PolarHBondContact O-N 3.31Å; R217-G219 PolarHBondContact O-N 3.32Å; G219-P221 WeakPolarHBondContact O-CD 3.26Å
220V57.5Low72.3Confident80 Ų8094.9 Ų94.949%0.48552%0.523SS..  trans-100.991.9172.1-1760000107.7R218 T222R218-V220 PolarHBondContact O-N 3.23Å; V220-T222 VanDerWaalsContact C-N 3.31Å; V220-T222 HydrophobicContact CG1-CG2 4.05Å; V220-T222 PolarHBondContact O-N 3.2Å
221P54.4Low73Confident116 Ų11691.5 Ų91.575%0.75351%0.508SS*.  trans-70.288.8177.529.5-35.5000109.8G219 Q223G219-P221 WeakPolarHBondContact O-CD 3.26Å; P221-Q223 PolarHBondContact O-N 3.06Å
222T57Low74.1Confident78 Ų7891.8 Ų91.848%0.47951%0.51SS..  trans-75.354.4166.160.20000110.5L215 V220 A224L215-T222 HydrophobicContact CD2-CG2 3.66Å; L215-T222 HydrophobicContact CG-CG2 4.35Å; V220-T222 VanDerWaalsContact C-N 3.31Å; V220-T222 HydrophobicContact CG1-CG2 4.05Å; V220-T222 PolarHBondContact O-N 3.2Å; T222-A224 PolarHBondContact O-N 3.47Å
223Q62.8Low75.1Confident168 Ų16891.5 Ų91.579%0.78551%0.507SS*.  trans-68.8113.5170.2-164.6175.636.700107.3P221 K225P221-Q223 PolarHBondContact O-N 3.06Å; Q223-K225 PolarHBondContact O-N 3.01Å
224A67.5Low76Confident53 Ų5392.2 Ų92.244%0.43851%0.51SS..  trans-59.9126.3-179.100000109.7T222 G226 P234 I235T222-A224 PolarHBondContact O-N 3.47Å; A224-G226 PolarHBondContact O-N 3.39Å; A224-P234 HydrophobicContact CB-CB 3.73Å; A224-I235 WeakPolarHBondContact CA-O 3.34Å
225K76.8Confident76.7Confident115 Ų11588 Ų8850%0.549%0.487SS..  trans-79.633.5-174.3-61.8-176.1179.3172.70113Q223 I235 G237 V239 A246Q223-K225 PolarHBondContact O-N 3.01Å; K225-I235 PolarHBondContact N-O 2.81Å; K225-G237 WeakPolarHBondContact CE-O 3.35Å; K225-G237 PolarHBondContact NZ-O 2.82Å; K225-V239 HydrophobicContact CB-CB 4.28Å; K225-V239 HydrophobicContact CB-CG1 4.29Å; K225-V239 HydrophobicContact CB-CG2 4.38Å; K225-V239 HydrophobicContact CD-CB 3.95Å; K225-V239 HydrophobicContact CD-CG1 3.45Å; K225-V239 VanDerWaalsContact CD-CG1 3.45Å; K225-A246 WeakPolarHBondContact O-CB 3.43Å
226G86Confident77.5Confident38 Ų3888 Ų8839%0.39250%0.498SS..  trans94.1-179.4-16800000113.7A224 I235A224-G226 PolarHBondContact O-N 3.39Å; G226-I235 PolarHBondContact O-N 2.92Å
227L92.4Very high78.3Confident108 Ų10886.6 Ų86.657%0.56550%0.496SS*.BIsolated β-bridgetrans-91.5141.5175.2-58.3179.8000110.3G229 K233 P234L227-G229 PolarHBondContact O-N 2.85Å; L227-K233 WeakPolarHBondContact CA-O 3.44Å; L227-P234 HydrophobicContact CD2-CB 4.28Å
228C92.6Very high79.2Confident0 Ų083.2 Ų83.20%049%0.49CS..BIsolated β-bridgetrans-68.9122.7177.8173.60000112.2S230 C231 N232 K233 I235 A246 H251C228-S230 PolarHBondContact O-N 3.2Å; C228-C231 VanDerWaalsContact CB-SG 3.59Å; C228-C231 PolarHBondContact O-N 3.27Å; C228-N232 VanDerWaalsContact O-CA 3.32Å; C228-N232 WeakPolarHBondContact O-CA 3.43Å; C228-N232 PolarHBondContact O-N 2.91Å; C228-K233 PolarHBondContact N-O 3.05Å; C228-I235 HydrophobicContact CB-CD1 3.99Å; C228-I235 HydrophobicContact CB-CG1 3.86Å; C228-A246 CarbonylContact C-O 3.54Å; C228-A246 VanDerWaalsContact CA-O 3.31Å; C228-A246 WeakPolarHBondContact CA-O 3.46Å; C228-H251 PolarHBondContact SG-ND1 3.46Å
229G89.4Confident80.4Confident17 Ų1776.2 Ų76.218%0.17547%0.468CS..THydrogen-bonded Turntrans-60.2-11.4-178.700000116.3L227 A246 W247L227-G229 PolarHBondContact O-N 2.85Å; G229-A246 PolarHBondContact N-O 3.17Å; G229-W247 VanDerWaalsContact C-CZ3 3.46Å
230S91.2Very high82Confident71 Ų7174.2 Ų74.250%0.49744%0.444SS..THydrogen-bonded Turntrans-99.2-40.9174.8-178.30000113.6C228C228-S230 PolarHBondContact O-N 3.2Å
231C94Very high83.6Confident37 Ų3775.9 Ų75.925%0.2545%0.454CS..THydrogen-bonded Turntrans-119.9-2-170.875.50000115C228 K233 H251C228-C231 VanDerWaalsContact CB-SG 3.59Å; C228-C231 PolarHBondContact O-N 3.27Å; C231-K233 PolarHBondContact O-N 3.44Å; C231-H251 PolarHBondContact SG-CE1 2.93Å; C231-H251 PolarHBondContact SG-ND1 3.45Å; C231-H251 VanDerWaalsContact SG-ND1 3.44Å
232N92.2Very high85.2Confident115 Ų11570.8 Ų70.862%0.61542%0.422SS*.  trans55.117-178.1-59.6-41.5000115.9C228C228-N232 VanDerWaalsContact O-CA 3.32Å; C228-N232 WeakPolarHBondContact O-CA 3.43Å; C228-N232 PolarHBondContact O-N 2.91Å
233K91.8Very high86.7Confident138 Ų13868.6 Ų68.660%0.641%0.407SS*.PPolyproline II helixtrans-88.9149.5173.9-61.8178.6-177.2179.90111L227 C228 C231L227-K233 WeakPolarHBondContact CA-O 3.44Å; C228-K233 PolarHBondContact N-O 3.05Å; C231-K233 PolarHBondContact O-N 3.44Å
234P91.3Very high87.8Confident81 Ų8164.7 Ų64.753%0.52641%0.412SS..BIsolated β-bridgetrans-64.6135.8176.426.9-34.8000111.6A224 L227A224-P234 HydrophobicContact CB-CB 3.73Å; L227-P234 HydrophobicContact CD2-CB 4.28Å
235I88.3Confident88.9Confident0 Ų069.2 Ų69.20%042%0.418CS..PPolyproline II helixtrans-89.7116.3-178.7-59.6165.6000110.1A224 K225 G226 C228 Q238 V239 A246A224-I235 WeakPolarHBondContact CA-O 3.34Å; K225-I235 PolarHBondContact N-O 2.81Å; G226-I235 PolarHBondContact O-N 2.92Å; C228-I235 HydrophobicContact CB-CD1 3.99Å; C228-I235 HydrophobicContact CB-CG1 3.86Å; I235-Q238 VanDerWaalsContact CG2-O 3.29Å; I235-Q238 WeakPolarHBondContact CG2-O 3.25Å; I235-V239 HydrophobicContact CD1-CG2 3.92Å; I235-V239 HydrophobicContact CG2-CB 3.94Å; I235-V239 HydrophobicContact CG2-CG2 4.18Å; I235-A246 HydrophobicContact CD1-CB 3.52Å
236A85.7Confident89.6Confident72 Ų7264.4 Ų64.460%0.59540%0.4SS*.  trans-104.6137.5170.700000110.6
237G85.7Confident90Very high55 Ų5564 Ų6457%0.56739%0.386SS*.SBendtrans84.2-122.3177.900000114K225K225-G237 WeakPolarHBondContact CE-O 3.35Å; K225-G237 PolarHBondContact NZ-O 2.82Å
238Q86.8Confident89.9Confident153 Ų15360.2 Ų60.272%0.71537%0.366SS*.  trans-72.6142.2179.4-71.3-177.5-16.600111.1I235 P249I235-Q238 VanDerWaalsContact CG2-O 3.29Å; I235-Q238 WeakPolarHBondContact CG2-O 3.25Å; Q238-P249 HydrophobicContact CB-CG 3.9Å
239V89.5Confident89.9Confident43 Ų4362.2 Ų62.226%0.26138%0.379SS..  trans-135.5141.6178.162.20000108.9K225 I235 A246K225-V239 HydrophobicContact CB-CB 4.28Å; K225-V239 HydrophobicContact CB-CG1 4.29Å; K225-V239 HydrophobicContact CB-CG2 4.38Å; K225-V239 HydrophobicContact CD-CB 3.95Å; K225-V239 HydrophobicContact CD-CG1 3.45Å; K225-V239 VanDerWaalsContact CD-CG1 3.45Å; I235-V239 HydrophobicContact CD1-CG2 3.92Å; I235-V239 HydrophobicContact CG2-CB 3.94Å; I235-V239 HydrophobicContact CG2-CG2 4.18Å; V239-A246 HydrophobicContact CG2-CB 3.82Å
240V90.3Very high90Very high20 Ų2067.5 Ų67.512%0.12140%0.399CS..EExtended strand (participates in β ladder)trans-102.6122.1163.2-179.70000107.2A242 A246 W247 P249 F252V240-A242 HydrophobicContact CG1-CB 4.31Å; V240-A246 CarbonylContact O-C 3.57Å; V240-W247 HydrophobicContact CB-CB 4.36Å; V240-W247 PolarHBondContact N-O 3.07Å; V240-W247 PolarHBondContact O-N 3Å; V240-P249 HydrophobicContact CG2-CB 4.31Å; V240-P249 HydrophobicContact CG2-CG 4.34Å; V240-F252 HydrophobicContact CB-CB 4.31Å; V240-F252 HydrophobicContact CB-CG 4.41Å; V240-F252 HydrophobicContact CG1-CB 4.23Å; V240-F252 HydrophobicContact CG1-CD1 3.66Å; V240-F252 HydrophobicContact CG1-CD2 4.37Å; V240-F252 HydrophobicContact CG1-CE1 4.12Å; V240-F252 HydrophobicContact CG1-CG 3.82Å; V240-F252 HydrophobicContact CG2-CB 4.46Å
241T90.1Very high90Very high115 Ų11566.7 Ų66.771%0.70639%0.387SS*.EExtended strand (participates in β ladder)trans-104.1110.3175.9-52.30000108.2R245T241-R245 WeakPolarHBondContact CA-O 3.17Å
242A88.3Confident90Very high10 Ų1065 Ų658%0.08338%0.376CS..EExtended strand (participates in β ladder)trans-157.3154.6-174.800000110.6V240 G244 R245 W247 F252 F266V240-A242 HydrophobicContact CG1-CB 4.31Å; A242-G244 PolarHBondContact O-N 2.67Å; A242-R245 PolarHBondContact N-O 3.08Å; A242-R245 PolarHBondContact O-N 3.14Å; A242-W247 PolarHBondContact O-NE1 2.93Å; A242-F252 HydrophobicContact CB-CD2 4.36Å; A242-F252 HydrophobicContact CB-CE1 4.22Å; A242-F252 HydrophobicContact CB-CE2 3.52Å; A242-F252 HydrophobicContact CB-CZ 3.44Å; A242-F252 VanDerWaalsContact CB-CZ 3.44Å; A242-F266 HydrophobicContact CB-CE1 4.34Å; A242-F266 HydrophobicContact CB-CE2 4.4Å; A242-F266 HydrophobicContact CB-CZ 3.72Å
243L88Confident90.1Very high31 Ų3162.5 Ų62.516%0.16236%0.362CS..THydrogen-bonded Turntrans55.934.5178.6-43175.5000112.8R245 W247 F252 F266 E268 P273L243-R245 PolarHBondContact O-N 3.2Å; L243-R245 VanDerWaalsContact O-N 3.15Å; L243-W247 HydrophobicContact CB-CZ2 4.48Å; L243-W247 HydrophobicContact CD1-CZ2 4.08Å; L243-F252 HydrophobicContact CD1-CE2 4.07Å; L243-F252 HydrophobicContact CG-CE2 4.29Å; L243-F266 HydrophobicContact CD2-CE2 4.18Å; L243-E268 HydrophobicContact CD2-CB 3.7Å; L243-E268 HydrophobicContact CD2-CG 3.55Å; L243-E268 VanDerWaalsContact CD2-OE2 3.27Å; L243-E268 WeakPolarHBondContact CD2-OE2 3.37Å; L243-P273 HydrophobicContact CD1-CB 4Å; L243-P273 HydrophobicContact CD1-CG 3.91Å
244G86.8Confident90.3Very high86 Ų8656 Ų5689%0.88733%0.334SS*.THydrogen-bonded Turntrans65.810.1-174.500000115.6A242A242-G244 PolarHBondContact O-N 2.67Å
245R90.1Very high90.4Very high148 Ų14861.2 Ų61.256%0.55834%0.343SS*.EExtended strand (participates in β ladder)trans-129159-176.4-63.4-178.4-174.9-153.4-1.7111.8T241 A242 L243 W247T241-R245 WeakPolarHBondContact CA-O 3.17Å; A242-R245 PolarHBondContact N-O 3.08Å; A242-R245 PolarHBondContact O-N 3.14Å; L243-R245 PolarHBondContact O-N 3.2Å; L243-R245 VanDerWaalsContact O-N 3.15Å; R245-W247 HydrophobicContact CB-CZ2 4.01Å; R245-W247 VanDerWaalsContact O-CD1 3.31Å; R245-W247 PolarHBondContact O-NE1 2.99Å
246A91.8Very high90.6Very high15 Ų1562.2 Ų62.212%0.12435%0.354CS..EExtended strand (participates in β ladder)trans-91.6144.8168.700000109.8K225 C228 G229 I235 V239 V240K225-A246 WeakPolarHBondContact O-CB 3.43Å; C228-A246 CarbonylContact C-O 3.54Å; C228-A246 VanDerWaalsContact CA-O 3.31Å; C228-A246 WeakPolarHBondContact CA-O 3.46Å; G229-A246 PolarHBondContact N-O 3.17Å; I235-A246 HydrophobicContact CD1-CB 3.52Å; V239-A246 HydrophobicContact CG2-CB 3.82Å; V240-A246 CarbonylContact O-C 3.57Å
247W92.9Very high91.1Very high28 Ų2861.5 Ų61.511%0.10634%0.344CS..EExtended strand (participates in β ladder)trans-138.7147.1-178.5-5080.8000110.9G229 V240 A242 L243 R245 F252G229-W247 VanDerWaalsContact C-CZ3 3.46Å; V240-W247 HydrophobicContact CB-CB 4.36Å; V240-W247 PolarHBondContact N-O 3.07Å; V240-W247 PolarHBondContact O-N 3Å; A242-W247 PolarHBondContact O-NE1 2.93Å; L243-W247 HydrophobicContact CB-CZ2 4.48Å; L243-W247 HydrophobicContact CD1-CZ2 4.08Å; R245-W247 HydrophobicContact CB-CZ2 4.01Å; R245-W247 VanDerWaalsContact O-CD1 3.31Å; R245-W247 PolarHBondContact O-NE1 2.99Å; W247-F252 HydrophobicContact CB-CB 4.03Å; W247-F252 HydrophobicContact CB-CD2 4.27Å; W247-F252 AromaticContact CD1-CD2 3.8Å; W247-F252 AromaticContact CD2-CD2 3.9Å; W247-F252 HydrophobicContact CD2-CD2 3.9Å; W247-F252 HydrophobicContact CE3-CD2 4.49Å; W247-F252 HydrophobicContact CG-CB 4.41Å; W247-F252 AromaticContact CG-CD2 3.75Å; W247-F252 HydrophobicContact CG-CD2 3.75Å; W247-F252 HydrophobicContact CG-CG 4.46Å
248H92Very high91.4Very high29 Ų2963 Ų6313%0.13435%0.346CS..  trans-65143.9160.4-61.6128.8000108.8E250 H251 F252H248-E250 HydrophobicContact CB-CG 3.95Å; H248-E250 PolarHBondContact O-N 2.89Å; H248-E250 VanDerWaalsContact O-N 3.16Å; H248-H251 HydrophobicContact CB-CB 4.18Å; H248-H251 AromaticContact CG-ND1 3.95Å; H248-H251 AromaticContact ND1-CE1 3.52Å; H248-H251 AromaticContact ND1-ND1 3.2Å; H248-H251 PolarHBondContact ND1-ND1 3.3Å; H248-H251 PolarHBondContact O-N 3.34Å; H248-F252 PolarHBondContact O-N 3.24Å; H248-F252 VanDerWaalsContact O-N 3.16Å
249P90.9Very high91.8Very high43 Ų4359.5 Ų59.528%0.27934%0.335SS..THydrogen-bonded Turntrans-54-35178-27.335000113.9Q238 V240Q238-P249 HydrophobicContact CB-CG 3.9Å; V240-P249 HydrophobicContact CG2-CB 4.31Å; V240-P249 HydrophobicContact CG2-CG 4.34Å
250E91.6Very high91.9Very high128 Ų12861.3 Ų61.360%0.59835%0.346SS*.THydrogen-bonded Turntrans-75.2-18.1176.268.8-166.3178.400114.6H248 L253H248-E250 HydrophobicContact CB-CG 3.95Å; H248-E250 PolarHBondContact O-N 2.89Å; H248-E250 VanDerWaalsContact O-N 3.16Å; E250-L253 WeakPolarHBondContact O-CD2 3.36Å; E250-L253 WeakPolarHBondContact O-CG 3.42Å
251H92.5Very high92Very high54 Ų5460.6 Ų60.625%0.2534%0.341CS..THydrogen-bonded Turntrans-99-12178.9-70.3167000113.3C228 C231 H248 L253C228-H251 PolarHBondContact SG-ND1 3.46Å; C231-H251 PolarHBondContact SG-CE1 2.93Å; C231-H251 PolarHBondContact SG-ND1 3.45Å; C231-H251 VanDerWaalsContact SG-ND1 3.44Å; H248-H251 HydrophobicContact CB-CB 4.18Å; H248-H251 AromaticContact CG-ND1 3.95Å; H248-H251 AromaticContact ND1-CE1 3.52Å; H248-H251 AromaticContact ND1-ND1 3.2Å; H248-H251 PolarHBondContact ND1-ND1 3.3Å; H248-H251 PolarHBondContact O-N 3.34Å; H251-L253 VanDerWaalsContact C-N 3.27Å; H251-L253 PolarHBondContact O-N 3.05Å
252F94.1Very high91.3Very high1 Ų157 Ų570%0.00433%0.327CS..  trans-83.676.5173.5-163.7-113.6000109.6V240 A242 L243 W247 H248 L261 F266 P273V240-F252 HydrophobicContact CB-CB 4.31Å; V240-F252 HydrophobicContact CB-CG 4.41Å; V240-F252 HydrophobicContact CG1-CB 4.23Å; V240-F252 HydrophobicContact CG1-CD1 3.66Å; V240-F252 HydrophobicContact CG1-CD2 4.37Å; V240-F252 HydrophobicContact CG1-CE1 4.12Å; V240-F252 HydrophobicContact CG1-CG 3.82Å; V240-F252 HydrophobicContact CG2-CB 4.46Å; A242-F252 HydrophobicContact CB-CD2 4.36Å; A242-F252 HydrophobicContact CB-CE1 4.22Å; A242-F252 HydrophobicContact CB-CE2 3.52Å; A242-F252 HydrophobicContact CB-CZ 3.44Å; A242-F252 VanDerWaalsContact CB-CZ 3.44Å; L243-F252 HydrophobicContact CD1-CE2 4.07Å; L243-F252 HydrophobicContact CG-CE2 4.29Å; W247-F252 HydrophobicContact CB-CB 4.03Å; W247-F252 HydrophobicContact CB-CD2 4.27Å; W247-F252 AromaticContact CD1-CD2 3.8Å; W247-F252 AromaticContact CD2-CD2 3.9Å; W247-F252 HydrophobicContact CD2-CD2 3.9Å; W247-F252 HydrophobicContact CE3-CD2 4.49Å; W247-F252 HydrophobicContact CG-CB 4.41Å; W247-F252 AromaticContact CG-CD2 3.75Å; W247-F252 HydrophobicContact CG-CD2 3.75Å; W247-F252 HydrophobicContact CG-CG 4.46Å; H248-F252 PolarHBondContact O-N 3.24Å; H248-F252 VanDerWaalsContact O-N 3.16Å; F252-L261 HydrophobicContact CD1-CB 3.54Å; F252-L261 HydrophobicContact CE1-CB 3.68Å; F252-L261 HydrophobicContact CE1-CD1 4.31Å; F252-L261 PolarHBondContact O-N 3.25Å; F252-F266 AromaticContact CE1-CD1 3.66Å; F252-F266 HydrophobicContact CE1-CD1 3.66Å; F252-F266 HydrophobicContact CE1-CD2 4.33Å; F252-F266 AromaticContact CE1-CE1 3.75Å; F252-F266 HydrophobicContact CE1-CE1 3.75Å; F252-F266 HydrophobicContact CE1-CE2 4.42Å; F252-F266 AromaticContact CE1-CG 3.97Å; F252-F266 HydrophobicContact CE1-CG 3.97Å; F252-F266 HydrophobicContact CE1-CZ 4.16Å; F252-F266 AromaticContact CZ-CD1 4Å; F252-F266 HydrophobicContact CZ-CD1 4Å; F252-F266 AromaticContact CZ-CD2 3.92Å; F252-F266 HydrophobicContact CZ-CD2 3.92Å; F252-F266 AromaticContact CZ-CE1 3.85Å; F252-F266 HydrophobicContact CZ-CE1 3.85Å; F252-F266 AromaticContact CZ-CE2 3.78Å; F252-F266 HydrophobicContact CZ-CE2 3.78Å; F252-F266 HydrophobicContact CZ-CG 4.04Å; F252-F266 AromaticContact CZ-CZ 3.75Å; F252-F266 HydrophobicContact CZ-CZ 3.75Å; F252-P273 HydrophobicContact CD2-CG 4.25Å; F252-P273 HydrophobicContact CE1-CB 4.39Å; F252-P273 HydrophobicContact CE2-CB 3.78Å; F252-P273 HydrophobicContact CE2-CG 3.76Å; F252-P273 HydrophobicContact CZ-CB 3.63Å; F252-P273 HydrophobicContact CZ-CG 4.11Å
253L94.4Very high90.9Very high63 Ų6360.6 Ų60.633%0.3337%0.365SS..BIsolated β-bridgetrans-105.7142.9-173-57.7-176000112.1E250 H251 R255 S258 T259 T260E250-L253 WeakPolarHBondContact O-CD2 3.36Å; E250-L253 WeakPolarHBondContact O-CG 3.42Å; H251-L253 VanDerWaalsContact C-N 3.27Å; H251-L253 PolarHBondContact O-N 3.05Å; L253-R255 PolarHBondContact O-N 3.2Å; L253-S258 WeakPolarHBondContact CD2-O 3.37Å; L253-T259 CarbonylContact C-O 3.52Å; L253-T259 WeakPolarHBondContact CA-O 3.27Å; L253-T260 HydrophobicContact CD2-CG2 3.42Å; L253-T260 VanDerWaalsContact CD2-CG2 3.42Å
254C95.1Very high90.6Very high1 Ų161.9 Ų61.91%0.00738%0.377CS..  trans-57.9123.1169.5173.20000110.8G256 C257 S258 T259 L261 P273 C275C254-G256 PolarHBondContact O-N 2.8Å; C254-G256 VanDerWaalsContact O-N 3.11Å; C254-G256 PolarHBondContact SG-N 3.15Å; C254-C257 VanDerWaalsContact CB-SG 3.6Å; C254-C257 PolarHBondContact O-N 3.17Å; C254-C257 PolarHBondContact SG-SG 3.24Å; C254-S258 VanDerWaalsContact O-CA 3.26Å; C254-S258 WeakPolarHBondContact O-CA 3.33Å; C254-S258 PolarHBondContact O-N 3.11Å; C254-T259 PolarHBondContact N-O 2.68Å; C254-L261 HydrophobicContact CB-CD1 4.02Å; C254-L261 HydrophobicContact CB-CD2 4.27Å; C254-L261 HydrophobicContact CB-CG 4.18Å; C254-P273 WeakPolarHBondContact CA-O 3.29Å; C254-C275 HydrophobicContact CB-CB 4.16Å; C254-C275 PolarHBondContact SG-N 3.27Å
255R94.1Very high90.7Very high190 Ų19061.8 Ų61.872%0.71736%0.363SS*.THydrogen-bonded Turntrans-63.7-17.3178.4-171.859.5176.2-1581.5113.7L253 A272 P273 F274L253-R255 PolarHBondContact O-N 3.2Å; R255-A272 HydrophobicContact CB-CB 4.12Å; R255-A272 HydrophobicContact CG-CB 4.12Å; R255-P273 PolarHBondContact N-O 3.32Å; R255-F274 HydrophobicContact CB-CD1 4.34Å; R255-F274 HydrophobicContact CB-CE1 3.88Å; R255-F274 HydrophobicContact CB-CE2 4.23Å; R255-F274 HydrophobicContact CB-CZ 3.82Å; R255-F274 HydrophobicContact CG-CE1 4.34Å; R255-F274 HydrophobicContact CG-CZ 4.04Å
256G92.4Very high90.9Very high22 Ų2258.3 Ų58.323%0.22735%0.352CS..THydrogen-bonded Turntrans-87.8-41.8178.300000115.2C254 R282C254-G256 PolarHBondContact O-N 2.8Å; C254-G256 VanDerWaalsContact O-N 3.11Å; C254-G256 PolarHBondContact SG-N 3.15Å; G256-R282 PolarHBondContact O-NH2 3.23Å
257C95Very high90.9Very high56 Ų5661.2 Ų61.238%0.37836%0.362SS..THydrogen-bonded Turntrans-130.12.8-171.466.10000114.9C254 T259 C275C254-C257 VanDerWaalsContact CB-SG 3.6Å; C254-C257 PolarHBondContact O-N 3.17Å; C254-C257 PolarHBondContact SG-SG 3.24Å; C257-T259 PolarHBondContact O-N 3.32Å; C257-T259 PolarHBondContact SG-OG1 3.24Å; C257-C275 VanDerWaalsContact SG-SG 3.69Å
258S93.5Very high90.9Very high88 Ų8865.2 Ų65.262%0.61538%0.382SS*.  trans59.113.3-179.6-55.60000116.1L253 C254L253-S258 WeakPolarHBondContact CD2-O 3.37Å; C254-S258 VanDerWaalsContact O-CA 3.26Å; C254-S258 WeakPolarHBondContact O-CA 3.33Å; C254-S258 PolarHBondContact O-N 3.11Å
259T93.5Very high90.9Very high79 Ų7967.4 Ų67.449%0.48539%0.391SS..  trans-71.8140.9173.9-48.80000111.1L253 C254 C257 L261L253-T259 CarbonylContact C-O 3.52Å; L253-T259 WeakPolarHBondContact CA-O 3.27Å; C254-T259 PolarHBondContact N-O 2.68Å; C257-T259 PolarHBondContact O-N 3.32Å; C257-T259 PolarHBondContact SG-OG1 3.24Å; T259-L261 PolarHBondContact O-N 2.84Å
260T92.6Very high90.9Very high81 Ų8172.2 Ų72.250%0.49741%0.414SS..BIsolated β-bridgetrans-63.6129.5174.840.80000111.6L253L253-T260 HydrophobicContact CD2-CG2 3.42Å; L253-T260 VanDerWaalsContact CD2-CG2 3.42Å
261L92.4Very high90.8Very high4 Ų468.5 Ų68.52%0.02141%0.41CS..  trans-103.9-0.5-178.9-65.7173000113.1F252 C254 T259 G263 S264 F266 P273 C275F252-L261 HydrophobicContact CD1-CB 3.54Å; F252-L261 HydrophobicContact CE1-CB 3.68Å; F252-L261 HydrophobicContact CE1-CD1 4.31Å; F252-L261 PolarHBondContact O-N 3.25Å; C254-L261 HydrophobicContact CB-CD1 4.02Å; C254-L261 HydrophobicContact CB-CD2 4.27Å; C254-L261 HydrophobicContact CB-CG 4.18Å; T259-L261 PolarHBondContact O-N 2.84Å; L261-G263 PolarHBondContact O-N 3.46Å; L261-S264 WeakPolarHBondContact CA-OG 3.31Å; L261-S264 PolarHBondContact O-N 3.21Å; L261-S264 PolarHBondContact O-OG 2.9Å; L261-F266 HydrophobicContact CB-CB 4.46Å; L261-F266 HydrophobicContact CD1-CB 3.8Å; L261-F266 HydrophobicContact CD2-CB 4.23Å; L261-F266 HydrophobicContact CG-CB 4.4Å; L261-P273 HydrophobicContact CD1-CB 3.77Å; L261-P273 HydrophobicContact CD1-CG 4.32Å; L261-C275 HydrophobicContact CD2-CB 3.77Å
262G76.1Confident90.7Very high39 Ų3967 Ų6740%0.40241%0.407SS..THydrogen-bonded Turntrans-61.8-1.5-167.500000117.6
263G78.5Confident90.7Very high86 Ų8667.5 Ų67.589%0.88741%0.41SS*.THydrogen-bonded Turntrans-145.211.7170.200000114.2L261L261-G263 PolarHBondContact O-N 3.46Å
264S83Confident90.7Very high58 Ų5865.1 Ų65.141%0.40640%0.397SS..SBendtrans-114.4159.7-179.663.90000111.2L261L261-S264 WeakPolarHBondContact CA-OG 3.31Å; L261-S264 PolarHBondContact O-N 3.21Å; L261-S264 PolarHBondContact O-OG 2.9Å
265S89.3Confident90.7Very high85 Ų8566 Ų6659%0.59440%0.404SS*.  trans-59.6143167.853.20000110.7P276S265-P276 WeakPolarHBondContact O-CD 3.45Å
266F93Very high90.6Very high74 Ų7458.8 Ų58.833%0.32538%0.381SS..  trans-142.2160.917669.1-88.2000109.7A242 L243 F252 L261 P273 F274A242-F266 HydrophobicContact CB-CE1 4.34Å; A242-F266 HydrophobicContact CB-CE2 4.4Å; A242-F266 HydrophobicContact CB-CZ 3.72Å; L243-F266 HydrophobicContact CD2-CE2 4.18Å; F252-F266 AromaticContact CE1-CD1 3.66Å; F252-F266 HydrophobicContact CE1-CD1 3.66Å; F252-F266 HydrophobicContact CE1-CD2 4.33Å; F252-F266 AromaticContact CE1-CE1 3.75Å; F252-F266 HydrophobicContact CE1-CE1 3.75Å; F252-F266 HydrophobicContact CE1-CE2 4.42Å; F252-F266 AromaticContact CE1-CG 3.97Å; F252-F266 HydrophobicContact CE1-CG 3.97Å; F252-F266 HydrophobicContact CE1-CZ 4.16Å; F252-F266 AromaticContact CZ-CD1 4Å; F252-F266 HydrophobicContact CZ-CD1 4Å; F252-F266 AromaticContact CZ-CD2 3.92Å; F252-F266 HydrophobicContact CZ-CD2 3.92Å; F252-F266 AromaticContact CZ-CE1 3.85Å; F252-F266 HydrophobicContact CZ-CE1 3.85Å; F252-F266 AromaticContact CZ-CE2 3.78Å; F252-F266 HydrophobicContact CZ-CE2 3.78Å; F252-F266 HydrophobicContact CZ-CG 4.04Å; F252-F266 AromaticContact CZ-CZ 3.75Å; F252-F266 HydrophobicContact CZ-CZ 3.75Å; L261-F266 HydrophobicContact CB-CB 4.46Å; L261-F266 HydrophobicContact CD1-CB 3.8Å; L261-F266 HydrophobicContact CD2-CB 4.23Å; L261-F266 HydrophobicContact CG-CB 4.4Å; F266-P273 HydrophobicContact CD2-CB 4.11Å; F266-F274 CarbonylContact C-O 3.59Å; F266-F274 VanDerWaalsContact CA-O 3.28Å; F266-F274 WeakPolarHBondContact CA-O 3.23Å; F266-F274 WeakPolarHBondContact CB-O 3.24Å
267F92.5Very high90.6Very high77 Ų7762.5 Ų62.534%0.33839%0.393SS..EExtended strand (participates in β ladder)trans-115.8145172.2-66.3-84.4000110.1P273 F274 P276 Y279 F280F267-P273 WeakPolarHBondContact O-CA 3.22Å; F267-F274 PolarHBondContact N-O 3.25Å; F267-F274 PolarHBondContact O-N 3.45Å; F267-P276 HydrophobicContact CD2-CB 4.43Å; F267-P276 HydrophobicContact CD2-CG 4.45Å; F267-P276 HydrophobicContact CE2-CB 3.91Å; F267-P276 HydrophobicContact CE2-CG 4.06Å; F267-Y279 HydrophobicContact CB-CD1 4.07Å; F267-Y279 HydrophobicContact CB-CD2 3.29Å; F267-Y279 HydrophobicContact CB-CE1 4.42Å; F267-Y279 HydrophobicContact CB-CE2 3.69Å; F267-Y279 HydrophobicContact CB-CG 3.51Å; F267-Y279 HydrophobicContact CD1-CD1 4.31Å; F267-Y279 HydrophobicContact CD1-CE1 4.29Å; F267-Y279 AromaticContact CD2-CD1 3.97Å; F267-Y279 HydrophobicContact CD2-CD1 3.97Å; F267-Y279 AromaticContact CD2-CG 3.87Å; F267-Y279 HydrophobicContact CD2-CG 3.87Å; F267-Y279 AromaticContact CG-CD1 3.86Å; F267-Y279 HydrophobicContact CG-CD1 3.86Å; F267-Y279 HydrophobicContact CG-CD2 4.02Å; F267-Y279 HydrophobicContact CG-CE1 4.24Å; F267-Y279 HydrophobicContact CG-CE2 4.37Å; F267-Y279 AromaticContact CG-CG 3.75Å; F267-Y279 HydrophobicContact CG-CG 3.75Å; F267-F280 HydrophobicContact CE2-CE2 4.27Å; F267-F280 HydrophobicContact CE2-CZ 4.13Å; F267-F280 HydrophobicContact CZ-CZ 4.06Å
268E93.2Very high90.6Very high111 Ų11160.9 Ų60.952%0.51938%0.381SS..EExtended strand (participates in β ladder)trans-92.9131.8172.3176.2167-173.800110.1L243L243-E268 HydrophobicContact CD2-CB 3.7Å; L243-E268 HydrophobicContact CD2-CG 3.55Å; L243-E268 VanDerWaalsContact CD2-OE2 3.27Å; L243-E268 WeakPolarHBondContact CD2-OE2 3.37Å
269K91.9Very high90.7Very high76 Ų7659.3 Ų59.333%0.3336%0.363SS..EExtended strand (participates in β ladder)trans-142.6128167.8-169.672.6-179.3-170.50109G271 A272 F274 Y279 F283K269-G271 PolarHBondContact O-N 3.46Å; K269-G271 VanDerWaalsContact O-N 3.15Å; K269-A272 PolarHBondContact N-O 2.64Å; K269-A272 PolarHBondContact O-N 2.82Å; K269-F274 HydrophobicContact CB-CD2 4.01Å; K269-F274 HydrophobicContact CB-CE2 3.87Å; K269-Y279 HydrophobicContact CB-CD2 4.47Å; K269-Y279 HydrophobicContact CB-CE2 4.1Å; K269-Y279 HydrophobicContact CD-CE2 4.42Å; K269-F283 HydrophobicContact CB-CD2 4.37Å; K269-F283 HydrophobicContact CB-CE2 3.91Å; K269-F283 HydrophobicContact CB-CZ 4.14Å; K269-F283 HydrophobicContact CD-CD1 4.5Å; K269-F283 HydrophobicContact CG-CD1 4.2Å; K269-F283 HydrophobicContact CG-CD2 4.16Å; K269-F283 HydrophobicContact CG-CE1 3.88Å; K269-F283 HydrophobicContact CG-CE2 3.85Å; K269-F283 HydrophobicContact CG-CG 4.34Å; K269-F283 HydrophobicContact CG-CZ 3.7Å
270D90.7Very high90.6Very high144 Ų14458.1 Ų58.177%0.7735%0.351SS*.THydrogen-bonded Turntrans51.738.1177.2-46.9-34.3000113.3A272D270-A272 VanDerWaalsContact C-N 3.28Å; D270-A272 PolarHBondContact O-N 3.04Å
271G88.9Confident90.6Very high50 Ų5057.7 Ų57.752%0.51534%0.343SS..THydrogen-bonded Turntrans72.611.8-17800000115.4K269K269-G271 PolarHBondContact O-N 3.46Å; K269-G271 VanDerWaalsContact O-N 3.15Å
272A91.6Very high90.6Very high21 Ų2164.5 Ų64.517%0.17437%0.369CS..EExtended strand (participates in β ladder)trans-117.3144.7177.700000111.9R255 K269 D270 F274R255-A272 HydrophobicContact CB-CB 4.12Å; R255-A272 HydrophobicContact CG-CB 4.12Å; K269-A272 PolarHBondContact N-O 2.64Å; K269-A272 PolarHBondContact O-N 2.82Å; D270-A272 VanDerWaalsContact C-N 3.28Å; D270-A272 PolarHBondContact O-N 3.04Å; A272-F274 HydrophobicContact CB-CE2 3.99Å; A272-F274 WeakPolarHBondContact O-CD2 3.47Å
273P93.3Very high91.4Very high12 Ų1266 Ų668%0.07836%0.364CS..EExtended strand (participates in β ladder)trans-88.9139.2178.634.2-29.5000111.4L243 F252 C254 R255 L261 F266 F267L243-P273 HydrophobicContact CD1-CB 4Å; L243-P273 HydrophobicContact CD1-CG 3.91Å; F252-P273 HydrophobicContact CD2-CG 4.25Å; F252-P273 HydrophobicContact CE1-CB 4.39Å; F252-P273 HydrophobicContact CE2-CB 3.78Å; F252-P273 HydrophobicContact CE2-CG 3.76Å; F252-P273 HydrophobicContact CZ-CB 3.63Å; F252-P273 HydrophobicContact CZ-CG 4.11Å; C254-P273 WeakPolarHBondContact CA-O 3.29Å; R255-P273 PolarHBondContact N-O 3.32Å; L261-P273 HydrophobicContact CD1-CB 3.77Å; L261-P273 HydrophobicContact CD1-CG 4.32Å; F266-P273 HydrophobicContact CD2-CB 4.11Å; F267-P273 WeakPolarHBondContact O-CA 3.22Å
274F95.1Very high92Very high13 Ų1362.8 Ų62.86%0.05733%0.328CS..EExtended strand (participates in β ladder)trans-127142.5176.1-68.8-95000110.6R255 F266 F267 K269 A272 C278 Y279 F283R255-F274 HydrophobicContact CB-CD1 4.34Å; R255-F274 HydrophobicContact CB-CE1 3.88Å; R255-F274 HydrophobicContact CB-CE2 4.23Å; R255-F274 HydrophobicContact CB-CZ 3.82Å; R255-F274 HydrophobicContact CG-CE1 4.34Å; R255-F274 HydrophobicContact CG-CZ 4.04Å; F266-F274 CarbonylContact C-O 3.59Å; F266-F274 VanDerWaalsContact CA-O 3.28Å; F266-F274 WeakPolarHBondContact CA-O 3.23Å; F266-F274 WeakPolarHBondContact CB-O 3.24Å; F267-F274 PolarHBondContact N-O 3.25Å; F267-F274 PolarHBondContact O-N 3.45Å; K269-F274 HydrophobicContact CB-CD2 4.01Å; K269-F274 HydrophobicContact CB-CE2 3.87Å; A272-F274 HydrophobicContact CB-CE2 3.99Å; A272-F274 WeakPolarHBondContact O-CD2 3.47Å; F274-C278 HydrophobicContact CD1-CB 4.24Å; F274-Y279 HydrophobicContact CB-CD2 4.4Å; F274-F283 HydrophobicContact CD1-CE2 4.09Å; F274-F283 AromaticContact CD2-CE2 3.99Å; F274-F283 HydrophobicContact CD2-CE2 3.99Å; F274-F283 AromaticContact CE1-CE2 3.94Å; F274-F283 HydrophobicContact CE1-CE2 3.94Å; F274-F283 HydrophobicContact CE1-CZ 4.12Å; F274-F283 AromaticContact CE2-CE2 3.85Å; F274-F283 HydrophobicContact CE2-CE2 3.85Å; F274-F283 HydrophobicContact CE2-CZ 4.01Å; F274-F283 HydrophobicContact CG-CE2 4.11Å; F274-F283 AromaticContact CZ-CE2 3.82Å; F274-F283 HydrophobicContact CZ-CE2 3.82Å; F274-F283 AromaticContact CZ-CZ 3.74Å; F274-F283 HydrophobicContact CZ-CZ 3.74Å
275C94.3Very high92.6Very high21 Ų2162.1 Ų62.114%0.14232%0.322CS..  trans-66.5157.116570.60000109.8C254 C257 L261 E277 C278 Y279C254-C275 HydrophobicContact CB-CB 4.16Å; C254-C275 PolarHBondContact SG-N 3.27Å; C257-C275 VanDerWaalsContact SG-SG 3.69Å; L261-C275 HydrophobicContact CD2-CB 3.77Å; C275-E277 VanDerWaalsContact C-N 3.3Å; C275-E277 PolarHBondContact O-N 2.91Å; C275-C278 PolarHBondContact O-N 2.99Å; C275-C278 VanDerWaalsContact SG-CB 3.59Å; C275-C278 PolarHBondContact SG-N 2.94Å; C275-C278 VanDerWaalsContact SG-N 3.43Å; C275-C278 VanDerWaalsContact SG-SG 3.64Å; C275-Y279 WeakPolarHBondContact O-CB 3.41Å; C275-Y279 PolarHBondContact O-N 2.78Å
276P91.9Very high92.8Very high38 Ų3863.1 Ų63.125%0.24731%0.313CS..Hα-helixtrans-51.2-47.2-179.1-3037.2000113.3S265 F267 C278 Y279 F280S265-P276 WeakPolarHBondContact O-CD 3.45Å; F267-P276 HydrophobicContact CD2-CB 4.43Å; F267-P276 HydrophobicContact CD2-CG 4.45Å; F267-P276 HydrophobicContact CE2-CB 3.91Å; F267-P276 HydrophobicContact CE2-CG 4.06Å; P276-C278 PolarHBondContact O-N 2.99Å; P276-Y279 PolarHBondContact O-N 3.47Å; P276-F280 HydrophobicContact CB-CD2 4.39Å; P276-F280 HydrophobicContact CB-CE2 4.08Å; P276-F280 WeakPolarHBondContact O-CD2 3.32Å; P276-F280 WeakPolarHBondContact O-CG 3.49Å; P276-F280 PolarHBondContact O-N 3.27Å
277E93.5Very high93Very high100 Ų10059.6 Ų59.647%0.46730%0.297SS..Hα-helixtrans-61.3-48.2-178.1-164.964.4-164.800112.6C275 Y279 E281 R295C275-E277 VanDerWaalsContact C-N 3.3Å; C275-E277 PolarHBondContact O-N 2.91Å; E277-Y279 VanDerWaalsContact C-N 3.32Å; E277-Y279 PolarHBondContact O-N 3.34Å; E277-E281 WeakPolarHBondContact O-CB 3.49Å; E277-E281 PolarHBondContact O-N 3.41Å; E277-R295 IonicContact OE1-CZ 3.43Å; E277-R295 IonicContact OE1-NH1 3.27Å; E277-R295 PolarHBondContact OE1-NH1 3Å; E277-R295 IonicContact OE1-NH2 2.7Å; E277-R295 PolarHBondContact OE1-NH2 3.2Å; E277-R295 IonicContact OE2-CZ 3.56Å; E277-R295 IonicContact OE2-NH1 2.74Å; E277-R295 PolarHBondContact OE2-NH1 3.34Å; E277-R295 IonicContact OE2-NH2 3.58Å
278C94.7Very high92.9Very high21 Ų2157.6 Ų57.614%0.14230%0.299CS..Hα-helixtrans-69-28.6176.4-74.80000113.4F274 C275 P276 R282F274-C278 HydrophobicContact CD1-CB 4.24Å; C275-C278 PolarHBondContact O-N 2.99Å; C275-C278 VanDerWaalsContact SG-CB 3.59Å; C275-C278 PolarHBondContact SG-N 2.94Å; C275-C278 VanDerWaalsContact SG-N 3.43Å; C275-C278 VanDerWaalsContact SG-SG 3.64Å; P276-C278 PolarHBondContact O-N 2.99Å; C278-R282 WeakPolarHBondContact O-CB 3.23Å; C278-R282 WeakPolarHBondContact O-CG 3.19Å; C278-R282 PolarHBondContact O-N 3.25Å
279Y93.9Very high92.9Very high56 Ų5658.8 Ų58.822%0.2230%0.303CS..Hα-helixtrans-69.4-51.5176-177.3-91.3000110.5F267 K269 F274 C275 P276 E277 R282 F283F267-Y279 HydrophobicContact CB-CD1 4.07Å; F267-Y279 HydrophobicContact CB-CD2 3.29Å; F267-Y279 HydrophobicContact CB-CE1 4.42Å; F267-Y279 HydrophobicContact CB-CE2 3.69Å; F267-Y279 HydrophobicContact CB-CG 3.51Å; F267-Y279 HydrophobicContact CD1-CD1 4.31Å; F267-Y279 HydrophobicContact CD1-CE1 4.29Å; F267-Y279 AromaticContact CD2-CD1 3.97Å; F267-Y279 HydrophobicContact CD2-CD1 3.97Å; F267-Y279 AromaticContact CD2-CG 3.87Å; F267-Y279 HydrophobicContact CD2-CG 3.87Å; F267-Y279 AromaticContact CG-CD1 3.86Å; F267-Y279 HydrophobicContact CG-CD1 3.86Å; F267-Y279 HydrophobicContact CG-CD2 4.02Å; F267-Y279 HydrophobicContact CG-CE1 4.24Å; F267-Y279 HydrophobicContact CG-CE2 4.37Å; F267-Y279 AromaticContact CG-CG 3.75Å; F267-Y279 HydrophobicContact CG-CG 3.75Å; K269-Y279 HydrophobicContact CB-CD2 4.47Å; K269-Y279 HydrophobicContact CB-CE2 4.1Å; K269-Y279 HydrophobicContact CD-CE2 4.42Å; F274-Y279 HydrophobicContact CB-CD2 4.4Å; C275-Y279 WeakPolarHBondContact O-CB 3.41Å; C275-Y279 PolarHBondContact O-N 2.78Å; P276-Y279 PolarHBondContact O-N 3.47Å; E277-Y279 VanDerWaalsContact C-N 3.32Å; E277-Y279 PolarHBondContact O-N 3.34Å; Y279-R282 PolarHBondContact O-N 3.06Å; Y279-F283 AromaticContact CD2-CD2 3.56Å; Y279-F283 HydrophobicContact CD2-CD2 3.56Å; Y279-F283 HydrophobicContact CD2-CE2 4.13Å; Y279-F283 AromaticContact CE2-CD2 3.88Å; Y279-F283 HydrophobicContact CE2-CD2 3.88Å; Y279-F283 HydrophobicContact CG-CD2 4.06Å; Y279-F283 WeakPolarHBondContact O-CB 3.48Å; Y279-F283 WeakPolarHBondContact O-CD2 3.33Å; Y279-F283 PolarHBondContact O-N 3.47Å
280F91.7Very high93Very high53 Ų5357 Ų5723%0.23230%0.299CS..Hα-helixtrans-62.7-45.4178.4-65.4-55.2000111.9F267 P276 R282 S284 R295F267-F280 HydrophobicContact CE2-CE2 4.27Å; F267-F280 HydrophobicContact CE2-CZ 4.13Å; F267-F280 HydrophobicContact CZ-CZ 4.06Å; P276-F280 HydrophobicContact CB-CD2 4.39Å; P276-F280 HydrophobicContact CB-CE2 4.08Å; P276-F280 WeakPolarHBondContact O-CD2 3.32Å; P276-F280 WeakPolarHBondContact O-CG 3.49Å; P276-F280 PolarHBondContact O-N 3.27Å; F280-R282 VanDerWaalsContact C-N 3.27Å; F280-R282 PolarHBondContact O-N 2.95Å; F280-S284 WeakPolarHBondContact O-CB 3.35Å; F280-S284 PolarHBondContact O-N 3.31Å; F280-S284 PolarHBondContact O-OG 3.04Å; F280-R295 HydrophobicContact CB-CG 4.41Å
281E92.9Very high93.2Very high72 Ų7255.2 Ų55.234%0.33629%0.29SS..Hα-helixtrans-62.3-33.1-178.2-171.254.5-129.300113.4E277 R286 P293E277-E281 WeakPolarHBondContact O-CB 3.49Å; E277-E281 PolarHBondContact O-N 3.41Å; E281-R286 PolarHBondContact O-NH2 2.9Å; E281-R286 IonicContact OE1-CZ 3.67Å; E281-R286 IonicContact OE1-NH1 2.68Å; E281-R286 IonicContact OE1-NH2 3.9Å; E281-R286 PolarHBondContact OE1-NH2 2.99Å; E281-P293 WeakPolarHBondContact OE2-CG 3.47Å
282R92.2Very high93.5Very high148 Ų14857.9 Ų57.956%0.55829%0.288SS*.Hα-helixtrans-94.5-29.5-176.5-65.8-175.6-179.6-155.83.5114.4G256 C278 Y279 F280G256-R282 PolarHBondContact O-NH2 3.23Å; C278-R282 WeakPolarHBondContact O-CB 3.23Å; C278-R282 WeakPolarHBondContact O-CG 3.19Å; C278-R282 PolarHBondContact O-N 3.25Å; Y279-R282 PolarHBondContact O-N 3.06Å; F280-R282 VanDerWaalsContact C-N 3.27Å; F280-R282 PolarHBondContact O-N 2.95Å
283F92.4Very high93.6Very high69 Ų6957.2 Ų57.230%0.30328%0.283SS..Hα-helixtrans-124.6-8.1-167.9-50.7-61.3000114.8K269 F274 Y279K269-F283 HydrophobicContact CB-CD2 4.37Å; K269-F283 HydrophobicContact CB-CE2 3.91Å; K269-F283 HydrophobicContact CB-CZ 4.14Å; K269-F283 HydrophobicContact CD-CD1 4.5Å; K269-F283 HydrophobicContact CG-CD1 4.2Å; K269-F283 HydrophobicContact CG-CD2 4.16Å; K269-F283 HydrophobicContact CG-CE1 3.88Å; K269-F283 HydrophobicContact CG-CE2 3.85Å; K269-F283 HydrophobicContact CG-CG 4.34Å; K269-F283 HydrophobicContact CG-CZ 3.7Å; F274-F283 HydrophobicContact CD1-CE2 4.09Å; F274-F283 AromaticContact CD2-CE2 3.99Å; F274-F283 HydrophobicContact CD2-CE2 3.99Å; F274-F283 AromaticContact CE1-CE2 3.94Å; F274-F283 HydrophobicContact CE1-CE2 3.94Å; F274-F283 HydrophobicContact CE1-CZ 4.12Å; F274-F283 AromaticContact CE2-CE2 3.85Å; F274-F283 HydrophobicContact CE2-CE2 3.85Å; F274-F283 HydrophobicContact CE2-CZ 4.01Å; F274-F283 HydrophobicContact CG-CE2 4.11Å; F274-F283 AromaticContact CZ-CE2 3.82Å; F274-F283 HydrophobicContact CZ-CE2 3.82Å; F274-F283 AromaticContact CZ-CZ 3.74Å; F274-F283 HydrophobicContact CZ-CZ 3.74Å; Y279-F283 AromaticContact CD2-CD2 3.56Å; Y279-F283 HydrophobicContact CD2-CD2 3.56Å; Y279-F283 HydrophobicContact CD2-CE2 4.13Å; Y279-F283 AromaticContact CE2-CD2 3.88Å; Y279-F283 HydrophobicContact CE2-CD2 3.88Å; Y279-F283 HydrophobicContact CG-CD2 4.06Å; Y279-F283 WeakPolarHBondContact O-CB 3.48Å; Y279-F283 WeakPolarHBondContact O-CD2 3.33Å; Y279-F283 PolarHBondContact O-N 3.47Å
284S92.4Very high93.7Very high20 Ų2057 Ų5714%0.1428%0.28CS..SBendtrans-70.3146.5169.6-81.80000111.5F280 I294F280-S284 WeakPolarHBondContact O-CB 3.35Å; F280-S284 PolarHBondContact O-N 3.31Å; F280-S284 PolarHBondContact O-OG 3.04Å; S284-I294 VanDerWaalsContact CB-O 3.25Å; S284-I294 WeakPolarHBondContact CB-O 3.48Å; S284-I294 PolarHBondContact OG-O 3.44Å
285P94.5Very high93.4Very high43 Ų4361.1 Ų61.128%0.27930%0.296SS..PPolyproline II helixtrans-61146.1167.726.7-32.8000110.6I294 M298 H305P285-I294 PolarHBondContact O-N 2.88Å; P285-M298 HydrophobicContact CG-SD 3.72Å; P285-H305 HydrophobicContact CB-CB 3.92Å; P285-H305 WeakPolarHBondContact CB-CD2 3.35Å; P285-H305 HydrophobicContact CG-CB 4.46Å
286R95.2Very high93Very high106 Ų10668.7 Ų68.740%0.433%0.328SS..BIsolated β-bridgetrans-96.6141.2179.6-69.2-178.3176.8-85.1-9.2110.9E281 N291 Q292E281-R286 PolarHBondContact O-NH2 2.9Å; E281-R286 IonicContact OE1-CZ 3.67Å; E281-R286 IonicContact OE1-NH1 2.68Å; E281-R286 IonicContact OE1-NH2 3.9Å; E281-R286 PolarHBondContact OE1-NH2 2.99Å; R286-N291 WeakPolarHBondContact CD-O 3.49Å; R286-N291 PolarHBondContact NH1-O 3.47Å; R286-Q292 WeakPolarHBondContact CA-O 3.35Å
287C95.5Very high93Very high0 Ų075.2 Ų75.20%035%0.353CS..BIsolated β-bridgetrans-71.3127.3179.6172.30000111.5F289 C290 N291 Q292 I294 H305 H307 H310C287-F289 PolarHBondContact O-N 2.89Å; C287-C290 PolarHBondContact O-N 3.26Å; C287-N291 VanDerWaalsContact O-CA 3.24Å; C287-N291 WeakPolarHBondContact O-CA 3.29Å; C287-N291 PolarHBondContact O-N 3.26Å; C287-Q292 PolarHBondContact N-O 2.97Å; C287-I294 HydrophobicContact CB-CD1 4.14Å; C287-I294 HydrophobicContact CB-CG1 4Å; C287-H305 CarbonylContact C-O 3.56Å; C287-H305 VanDerWaalsContact CA-O 3.27Å; C287-H305 WeakPolarHBondContact CA-O 3.47Å; C287-H307 PolarHBondContact SG-N 3.37Å; C287-H310 PolarHBondContact SG-ND1 3.23Å
288G91.6Very high93Very high35 Ų3574.9 Ų74.936%0.36135%0.353SS..THydrogen-bonded Turntrans-59.7-16.6179.900000115.9H305G288-H305 PolarHBondContact N-O 3.06Å
289F92.3Very high93Very high137 Ų13776 Ų7660%0.60136%0.359SS*.THydrogen-bonded Turntrans-92.1-55175.7-175.8-107.4000113C287 W306 H310C287-F289 PolarHBondContact O-N 2.89Å; F289-W306 HydrophobicContact CB-CE3 4.19Å; F289-W306 HydrophobicContact CB-CZ3 4.07Å; F289-H310 HydrophobicContact CB-CB 3.85Å; F289-H310 HydrophobicContact CD1-CB 4.14Å; F289-H310 AromaticContact CD1-CD2 3.71Å; F289-H310 AromaticContact CD1-CE1 3.97Å; F289-H310 AromaticContact CD1-CG 3.65Å; F289-H310 AromaticContact CD1-ND1 3.8Å; F289-H310 AromaticContact CD1-NE2 3.91Å; F289-H310 HydrophobicContact CG-CB 4.25Å
290C94.5Very high93Very high37 Ų3777.7 Ų77.725%0.2538%0.375CS..THydrogen-bonded Turntrans-103.5-3.9-172.269.70000115.2C287 Q292 H310C287-C290 PolarHBondContact O-N 3.26Å; C290-Q292 HydrophobicContact CB-CG 4.41Å; C290-Q292 PolarHBondContact O-N 3.08Å; C290-Q292 PolarHBondContact O-NE2 3.26Å; C290-H310 PolarHBondContact SG-CE1 3.37Å; C290-H310 PolarHBondContact SG-ND1 3.48Å
291N94.1Very high93Very high108 Ų10875.9 Ų75.958%0.57837%0.37SS*.  trans56.89.9-175.8-66.8-67.6000116.3R286 C287R286-N291 WeakPolarHBondContact CD-O 3.49Å; R286-N291 PolarHBondContact NH1-O 3.47Å; C287-N291 VanDerWaalsContact O-CA 3.24Å; C287-N291 WeakPolarHBondContact O-CA 3.29Å; C287-N291 PolarHBondContact O-N 3.26Å
292Q94.8Very high93Very high105 Ų10574.6 Ų74.649%0.49137%0.365SS..PPolyproline II helixtrans-80.8152174.8-58.7-52.8-49.400111.8R286 C287 C290R286-Q292 WeakPolarHBondContact CA-O 3.35Å; C287-Q292 PolarHBondContact N-O 2.97Å; C290-Q292 HydrophobicContact CB-CG 4.41Å; C290-Q292 PolarHBondContact O-N 3.08Å; C290-Q292 PolarHBondContact O-NE2 3.26Å
293P95.3Very high93Very high8 Ų871.7 Ų71.75%0.05238%0.381CS..BIsolated β-bridgetrans-71.5132.5178-1.715.8000111.7E281E281-P293 WeakPolarHBondContact OE2-CG 3.47Å
294I94.6Very high93.1Very high6 Ų670.6 Ų70.63%0.03138%0.38CS..PPolyproline II helixtrans-83.1119.2-179.4-54160.6000109.1S284 P285 C287 K297 M298 H305S284-I294 VanDerWaalsContact CB-O 3.25Å; S284-I294 WeakPolarHBondContact CB-O 3.48Å; S284-I294 PolarHBondContact OG-O 3.44Å; P285-I294 PolarHBondContact O-N 2.88Å; C287-I294 HydrophobicContact CB-CD1 4.14Å; C287-I294 HydrophobicContact CB-CG1 4Å; I294-K297 WeakPolarHBondContact CG2-O 3.44Å; I294-M298 HydrophobicContact CB-CB 4.47Å; I294-M298 HydrophobicContact CD1-CB 4.02Å; I294-M298 HydrophobicContact CG2-CB 3.74Å; I294-H305 HydrophobicContact CD1-CB 3.57Å
295R89.6Confident93.2Very high100 Ų10072.5 Ų72.538%0.37739%0.387SS..  trans-94.6-23.3-173-61.3-175.2-177.2-144.8-5.9115.1E277 F280E277-R295 IonicContact OE1-CZ 3.43Å; E277-R295 IonicContact OE1-NH1 3.27Å; E277-R295 PolarHBondContact OE1-NH1 3Å; E277-R295 IonicContact OE1-NH2 2.7Å; E277-R295 PolarHBondContact OE1-NH2 3.2Å; E277-R295 IonicContact OE2-CZ 3.56Å; E277-R295 IonicContact OE2-NH1 2.74Å; E277-R295 PolarHBondContact OE2-NH1 3.34Å; E277-R295 IonicContact OE2-NH2 3.58Å; F280-R295 HydrophobicContact CB-CG 4.41Å
296H85.8Confident93.3Very high180 Ų18071.5 Ų71.583%0.83338%0.378SS*.SBendtrans-128.9-119.7-170.5-62.8108.1000111
297K91.2Very high93.3Very high175 Ų17567.9 Ų67.976%0.76137%0.365SS*.  trans-67.8136.4173.3-62.2-178.9-179.6-179.10109.2I294 P308I294-K297 WeakPolarHBondContact CG2-O 3.44Å; K297-P308 HydrophobicContact CB-CG 4.02Å; K297-P308 WeakPolarHBondContact O-CD 3.42Å
298M93.4Very high93.2Very high93 Ų9370.8 Ų70.846%0.45838%0.384SS..  trans-123.9148.7169.867.4-178.6-179.900109.3P285 I294 H305 W306P285-M298 HydrophobicContact CG-SD 3.72Å; I294-M298 HydrophobicContact CB-CB 4.47Å; I294-M298 HydrophobicContact CD1-CB 4.02Å; I294-M298 HydrophobicContact CG2-CB 3.74Å; M298-H305 HydrophobicContact SD-CB 4.47Å; M298-W306 WeakPolarHBondContact CA-O 3.24Å
299V94.1Very high93.3Very high46 Ų4675.7 Ų75.728%0.27940%0.397SS..EExtended strand (participates in β ladder)trans-97.7131.8162.4179.10000107.2A301 H305 W306 P308 F311V299-A301 HydrophobicContact CG1-CB 4.27Å; V299-H305 CarbonylContact O-C 3.58Å; V299-H305 WeakPolarHBondContact O-CA 3.11Å; V299-W306 HydrophobicContact CB-CB 4.33Å; V299-W306 PolarHBondContact N-O 2.84Å; V299-W306 PolarHBondContact O-N 2.9Å; V299-P308 HydrophobicContact CG2-CB 4.46Å; V299-F311 HydrophobicContact CB-CB 4.28Å; V299-F311 HydrophobicContact CB-CG 4.46Å; V299-F311 HydrophobicContact CG1-CB 4.29Å; V299-F311 HydrophobicContact CG1-CD1 3.78Å; V299-F311 HydrophobicContact CG1-CE1 4.31Å; V299-F311 HydrophobicContact CG1-CG 3.94Å; V299-F311 HydrophobicContact CG2-CB 4.45Å
300T94.6Very high93.4Very high91 Ų9171.1 Ų71.156%0.55838%0.378SS*.EExtended strand (participates in β ladder)trans-106.4112.6173-59.50000108.1T304 H305T300-T304 WeakPolarHBondContact CA-O 3.25Å; T300-H305 PolarHBondContact OG1-ND1 3.38Å
301A92.8Very high93.5Very high15 Ų1570.3 Ų70.312%0.12437%0.37CS..EExtended strand (participates in β ladder)trans-156.1153.8-176.100000109.7V299 G303 T304 W306 F311 F325V299-A301 HydrophobicContact CG1-CB 4.27Å; A301-G303 PolarHBondContact O-N 2.93Å; A301-T304 PolarHBondContact N-O 3.26Å; A301-T304 CarbonylContact O-C 3.5Å; A301-T304 PolarHBondContact O-N 3.4Å; A301-W306 PolarHBondContact O-NE1 3.01Å; A301-F311 HydrophobicContact CB-CD2 4.2Å; A301-F311 HydrophobicContact CB-CE1 4.11Å; A301-F311 HydrophobicContact CB-CE2 3.48Å; A301-F311 VanDerWaalsContact CB-CE2 3.48Å; A301-F311 HydrophobicContact CB-CZ 3.43Å; A301-F311 VanDerWaalsContact CB-CZ 3.43Å; A301-F325 HydrophobicContact CB-CZ 4.4Å
302L92.8Very high93.6Very high44 Ų4466.5 Ų66.523%0.2335%0.351CS..THydrogen-bonded Turntrans56.434.6178.4-51.1-176.6000113.7T304 W306 F311 F325 E327 G330 P332L302-T304 PolarHBondContact O-N 3.39Å; L302-W306 HydrophobicContact CB-CZ2 4.4Å; L302-W306 HydrophobicContact CD1-CZ2 4.18Å; L302-F311 HydrophobicContact CD1-CE2 4.36Å; L302-F311 HydrophobicContact CG-CE2 4.44Å; L302-F325 HydrophobicContact CD2-CE2 3.72Å; L302-F325 HydrophobicContact CD2-CZ 4.36Å; L302-F325 HydrophobicContact CG-CE2 4.36Å; L302-E327 HydrophobicContact CD2-CB 3.98Å; L302-E327 VanDerWaalsContact CD2-CD 3.42Å; L302-E327 HydrophobicContact CD2-CG 3.59Å; L302-E327 VanDerWaalsContact CD2-OE2 3.24Å; L302-E327 WeakPolarHBondContact CD2-OE2 3.42Å; L302-G330 WeakPolarHBondContact CD1-O 3.28Å; L302-P332 HydrophobicContact CD1-CB 3.96Å; L302-P332 HydrophobicContact CD1-CG 3.98Å
303G91.6Very high93.7Very high87 Ų8761.5 Ų61.590%0.89733%0.328SS*.THydrogen-bonded Turntrans68.98.6-177.600000115.3A301A301-G303 PolarHBondContact O-N 2.93Å
304T93.7Very high93.6Very high47 Ų4764.5 Ų64.529%0.28835%0.346SS..EExtended strand (participates in β ladder)trans-138.9-179.9-178.6-166.20000111.9T300 A301 L302 W306T300-T304 WeakPolarHBondContact CA-O 3.25Å; A301-T304 PolarHBondContact N-O 3.26Å; A301-T304 CarbonylContact O-C 3.5Å; A301-T304 PolarHBondContact O-N 3.4Å; L302-T304 PolarHBondContact O-N 3.39Å; T304-W306 HydrophobicContact CG2-CD2 4.37Å; T304-W306 VanDerWaalsContact CG2-CE2 3.41Å; T304-W306 HydrophobicContact CG2-CH2 4.28Å; T304-W306 HydrophobicContact CG2-CZ2 3.35Å
305H95.7Very high93.6Very high60 Ų6067.2 Ų67.228%0.27837%0.366SS..EExtended strand (participates in β ladder)trans-111.7151-178-51.6-77.6000110.9P285 C287 G288 I294 M298 V299 T300P285-H305 HydrophobicContact CB-CB 3.92Å; P285-H305 WeakPolarHBondContact CB-CD2 3.35Å; P285-H305 HydrophobicContact CG-CB 4.46Å; C287-H305 CarbonylContact C-O 3.56Å; C287-H305 VanDerWaalsContact CA-O 3.27Å; C287-H305 WeakPolarHBondContact CA-O 3.47Å; G288-H305 PolarHBondContact N-O 3.06Å; I294-H305 HydrophobicContact CD1-CB 3.57Å; M298-H305 HydrophobicContact SD-CB 4.47Å; V299-H305 CarbonylContact O-C 3.58Å; V299-H305 WeakPolarHBondContact O-CA 3.11Å; T300-H305 PolarHBondContact OG1-ND1 3.38Å
306W95.9Very high94Very high22 Ų2264.5 Ų64.58%0.08336%0.362CS..EExtended strand (participates in β ladder)trans-140.2148.1-175.5-49.183.2000110.9F289 M298 V299 A301 L302 T304 F311F289-W306 HydrophobicContact CB-CE3 4.19Å; F289-W306 HydrophobicContact CB-CZ3 4.07Å; M298-W306 WeakPolarHBondContact CA-O 3.24Å; V299-W306 HydrophobicContact CB-CB 4.33Å; V299-W306 PolarHBondContact N-O 2.84Å; V299-W306 PolarHBondContact O-N 2.9Å; A301-W306 PolarHBondContact O-NE1 3.01Å; L302-W306 HydrophobicContact CB-CZ2 4.4Å; L302-W306 HydrophobicContact CD1-CZ2 4.18Å; T304-W306 HydrophobicContact CG2-CD2 4.37Å; T304-W306 VanDerWaalsContact CG2-CE2 3.41Å; T304-W306 HydrophobicContact CG2-CH2 4.28Å; T304-W306 HydrophobicContact CG2-CZ2 3.35Å; W306-F311 HydrophobicContact CB-CB 3.89Å; W306-F311 HydrophobicContact CB-CD2 4.35Å; W306-F311 HydrophobicContact CB-CG 4.49Å; W306-F311 AromaticContact CD1-CD2 3.68Å; W306-F311 AromaticContact CD2-CD2 3.77Å; W306-F311 HydrophobicContact CD2-CD2 3.77Å; W306-F311 AromaticContact CE2-CD2 3.87Å; W306-F311 HydrophobicContact CE3-CD2 4.42Å; W306-F311 HydrophobicContact CG-CB 4.17Å; W306-F311 AromaticContact CG-CD2 3.69Å; W306-F311 HydrophobicContact CG-CD2 3.69Å; W306-F311 HydrophobicContact CG-CG 4.29Å; W306-F311 AromaticContact NE1-CD2 3.8Å; W306-F311 AromaticContact NE1-CE2 3.99Å
307H95.5Very high94.4Very high30 Ų3058.1 Ų58.114%0.13934%0.344CS..  trans-64.2144.5157-64.6128.5000108.7C287 E309 H310 F311C287-H307 PolarHBondContact SG-N 3.37Å; H307-E309 HydrophobicContact CB-CG 4.19Å; H307-E309 PolarHBondContact O-N 3.37Å; H307-H310 HydrophobicContact CB-CB 4.14Å; H307-H310 AromaticContact CG-ND1 3.93Å; H307-H310 AromaticContact ND1-CE1 3.55Å; H307-H310 AromaticContact ND1-ND1 3.27Å; H307-H310 PolarHBondContact ND1-ND1 3.49Å; H307-H310 PolarHBondContact O-N 3.19Å; H307-F311 PolarHBondContact O-N 2.79Å
308P93.6Very high94.6Very high61 Ų6155.3 Ų55.340%0.39633%0.334SS..G310 helixtrans-53.9-39.3177.1-26.935.7000113K297 V299 H310K297-P308 HydrophobicContact CB-CG 4.02Å; K297-P308 WeakPolarHBondContact O-CD 3.42Å; V299-P308 HydrophobicContact CG2-CB 4.46Å; P308-H310 VanDerWaalsContact C-N 3.29Å; P308-H310 PolarHBondContact O-N 2.66Å
309E93.8Very high94.6Very high137 Ų13755.2 Ų55.264%0.6434%0.341SS*.G310 helixtrans-70.6-17.3175.466.5-108.3-167.200115.1H307H307-E309 HydrophobicContact CB-CG 4.19Å; H307-E309 PolarHBondContact O-N 3.37Å
310H94.8Very high94.7Very high42 Ų4254.8 Ų54.819%0.19434%0.335CS..G310 helixtrans-99.5-7.2-179.1-67.8168.1000113.3C287 F289 C290 H307 P308 C312C287-H310 PolarHBondContact SG-ND1 3.23Å; F289-H310 HydrophobicContact CB-CB 3.85Å; F289-H310 HydrophobicContact CD1-CB 4.14Å; F289-H310 AromaticContact CD1-CD2 3.71Å; F289-H310 AromaticContact CD1-CE1 3.97Å; F289-H310 AromaticContact CD1-CG 3.65Å; F289-H310 AromaticContact CD1-ND1 3.8Å; F289-H310 AromaticContact CD1-NE2 3.91Å; F289-H310 HydrophobicContact CG-CB 4.25Å; C290-H310 PolarHBondContact SG-CE1 3.37Å; C290-H310 PolarHBondContact SG-ND1 3.48Å; H307-H310 HydrophobicContact CB-CB 4.14Å; H307-H310 AromaticContact CG-ND1 3.93Å; H307-H310 AromaticContact ND1-CE1 3.55Å; H307-H310 AromaticContact ND1-ND1 3.27Å; H307-H310 PolarHBondContact ND1-ND1 3.49Å; H307-H310 PolarHBondContact O-N 3.19Å; P308-H310 VanDerWaalsContact C-N 3.29Å; P308-H310 PolarHBondContact O-N 2.66Å; H310-C312 VanDerWaalsContact C-N 3.3Å; H310-C312 PolarHBondContact O-N 3.49Å
311F95.4Very high94.5Very high20 Ų2053.2 Ų53.29%0.08834%0.337CS..SBendtrans-92.370.2172.4-164.6-109.6000110V299 A301 L302 W306 H307 F320 F325 P332V299-F311 HydrophobicContact CB-CB 4.28Å; V299-F311 HydrophobicContact CB-CG 4.46Å; V299-F311 HydrophobicContact CG1-CB 4.29Å; V299-F311 HydrophobicContact CG1-CD1 3.78Å; V299-F311 HydrophobicContact CG1-CE1 4.31Å; V299-F311 HydrophobicContact CG1-CG 3.94Å; V299-F311 HydrophobicContact CG2-CB 4.45Å; A301-F311 HydrophobicContact CB-CD2 4.2Å; A301-F311 HydrophobicContact CB-CE1 4.11Å; A301-F311 HydrophobicContact CB-CE2 3.48Å; A301-F311 VanDerWaalsContact CB-CE2 3.48Å; A301-F311 HydrophobicContact CB-CZ 3.43Å; A301-F311 VanDerWaalsContact CB-CZ 3.43Å; L302-F311 HydrophobicContact CD1-CE2 4.36Å; L302-F311 HydrophobicContact CG-CE2 4.44Å; W306-F311 HydrophobicContact CB-CB 3.89Å; W306-F311 HydrophobicContact CB-CD2 4.35Å; W306-F311 HydrophobicContact CB-CG 4.49Å; W306-F311 AromaticContact CD1-CD2 3.68Å; W306-F311 AromaticContact CD2-CD2 3.77Å; W306-F311 HydrophobicContact CD2-CD2 3.77Å; W306-F311 AromaticContact CE2-CD2 3.87Å; W306-F311 HydrophobicContact CE3-CD2 4.42Å; W306-F311 HydrophobicContact CG-CB 4.17Å; W306-F311 AromaticContact CG-CD2 3.69Å; W306-F311 HydrophobicContact CG-CD2 3.69Å; W306-F311 HydrophobicContact CG-CG 4.29Å; W306-F311 AromaticContact NE1-CD2 3.8Å; W306-F311 AromaticContact NE1-CE2 3.99Å; H307-F311 PolarHBondContact O-N 2.79Å; F311-F320 AromaticContact CD1-CD2 3.59Å; F311-F320 HydrophobicContact CD1-CD2 3.59Å; F311-F320 AromaticContact CD1-CE2 3.78Å; F311-F320 HydrophobicContact CD1-CE2 3.78Å; F311-F320 HydrophobicContact CD2-CE2 4.48Å; F311-F320 AromaticContact CE1-CD2 3.53Å; F311-F320 HydrophobicContact CE1-CD2 3.53Å; F311-F320 AromaticContact CE1-CE2 3.67Å; F311-F320 HydrophobicContact CE1-CE2 3.67Å; F311-F320 HydrophobicContact CE2-CE2 4.38Å; F311-F320 HydrophobicContact CG-CD2 4.39Å; F311-F320 HydrophobicContact CG-CE2 4.19Å; F311-F320 HydrophobicContact CZ-CD2 4.27Å; F311-F320 AromaticContact CZ-CE2 3.98Å; F311-F320 HydrophobicContact CZ-CE2 3.98Å; F311-F320 WeakPolarHBondContact O-CD2 3Å; F311-F320 VanDerWaalsContact O-CE2 3.32Å; F311-F320 WeakPolarHBondContact O-CE2 3.28Å; F311-F325 AromaticContact CE1-CD1 3.55Å; F311-F325 HydrophobicContact CE1-CD1 3.55Å; F311-F325 AromaticContact CE1-CE1 3.74Å; F311-F325 HydrophobicContact CE1-CE1 3.74Å; F311-F325 HydrophobicContact CE1-CG 4.14Å; F311-F325 HydrophobicContact CE1-CZ 4.47Å; F311-F325 AromaticContact CZ-CD1 3.56Å; F311-F325 HydrophobicContact CZ-CD1 3.56Å; F311-F325 HydrophobicContact CZ-CD2 4.1Å; F311-F325 AromaticContact CZ-CE1 3.54Å; F311-F325 HydrophobicContact CZ-CE1 3.54Å; F311-F325 HydrophobicContact CZ-CE2 4.1Å; F311-F325 AromaticContact CZ-CG 3.85Å; F311-F325 HydrophobicContact CZ-CG 3.85Å; F311-F325 AromaticContact CZ-CZ 3.83Å; F311-F325 HydrophobicContact CZ-CZ 3.83Å; F311-P332 HydrophobicContact CD2-CG 4.39Å; F311-P332 HydrophobicContact CE2-CB 4.01Å; F311-P332 HydrophobicContact CE2-CG 3.95Å; F311-P332 HydrophobicContact CZ-CB 4.18Å
312C95.9Very high94.4Very high27 Ų2762.6 Ų62.618%0.18238%0.378CS..BIsolated β-bridgetrans-127.9171.1-178.362.20000111H310 V314 G317 E318 F320H310-C312 VanDerWaalsContact C-N 3.3Å; H310-C312 PolarHBondContact O-N 3.49Å; C312-V314 PolarHBondContact O-N 3.46Å; C312-G317 VanDerWaalsContact CB-O 3.29Å; C312-G317 WeakPolarHBondContact CB-O 3.3Å; C312-E318 WeakPolarHBondContact CA-O 3.27Å; C312-E318 WeakPolarHBondContact CB-O 3.35Å; C312-F320 WeakPolarHBondContact O-CZ 3.44Å
313C96.7Very high94.2Very high1 Ų166.5 Ų66.51%0.00740%0.395CS..  trans-63.4123.6179.2178.70000110.7S315 C316 G317 E318 F320 C334C313-S315 PolarHBondContact O-N 3.03Å; C313-S315 VanDerWaalsContact O-N 3.11Å; C313-S315 PolarHBondContact SG-N 3.33Å; C313-C316 WeakPolarHBondContact CB-SG 3.4Å; C313-G317 VanDerWaalsContact O-CA 3.23Å; C313-G317 WeakPolarHBondContact O-CA 3.22Å; C313-G317 PolarHBondContact O-N 2.75Å; C313-E318 PolarHBondContact N-O 3.35Å; C313-F320 HydrophobicContact CB-CE1 3.95Å; C313-F320 HydrophobicContact CB-CZ 4.35Å; C313-F320 VanDerWaalsContact N-CZ 3.26Å; C313-C334 HydrophobicContact CB-CB 3.99Å; C313-C334 PolarHBondContact SG-N 3.12Å
314V94.9Very high94.2Very high70 Ų7063.8 Ų63.842%0.42437%0.367SS..THydrogen-bonded Turntrans-68.1-13.7-179.1-171.50000112.9C312 R331 P332C312-V314 PolarHBondContact O-N 3.46Å; V314-R331 VanDerWaalsContact CG1-NH2 3.29Å; V314-R331 HydrophobicContact CG2-CB 4.41Å; V314-P332 HydrophobicContact CG2-CG 4.17Å; V314-P332 WeakPolarHBondContact CG2-O 3.19Å; V314-P332 PolarHBondContact N-O 2.75Å
315S94.8Very high94.3Very high63 Ų6365.2 Ų65.244%0.44137%0.369SS..THydrogen-bonded Turntrans-89.3-55.4178.1165.70000112.6C313 D337C313-S315 PolarHBondContact O-N 3.03Å; C313-S315 VanDerWaalsContact O-N 3.11Å; C313-S315 PolarHBondContact SG-N 3.33Å; S315-D337 WeakPolarHBondContact CB-OD2 3.31Å; S315-D337 PolarHBondContact OG-OD2 3.38Å
316C96.2Very high94.3Very high43 Ų4365.5 Ų65.529%0.29137%0.371SS..THydrogen-bonded Turntrans-99.5-12.7-178.462.30000115.7C313 E318 D337C313-C316 WeakPolarHBondContact CB-SG 3.4Å; C316-E318 HydrophobicContact CB-CG 4.35Å; C316-E318 PolarHBondContact O-N 3.11Å; C316-D337 VanDerWaalsContact CB-OD2 3.23Å; C316-D337 WeakPolarHBondContact CB-OD2 3.27Å; C316-D337 PolarHBondContact N-OD2 3.39Å; C316-D337 PolarHBondContact SG-OD2 2.9Å
317G94.5Very high94.2Very high46 Ų4669.6 Ų69.647%0.47439%0.391SS..  trans78.9-7.2-175.300000115.5C312 C313C312-G317 VanDerWaalsContact CB-O 3.29Å; C312-G317 WeakPolarHBondContact CB-O 3.3Å; C313-G317 VanDerWaalsContact O-CA 3.23Å; C313-G317 WeakPolarHBondContact O-CA 3.22Å; C313-G317 PolarHBondContact O-N 2.75Å
318E95.4Very high94.2Very high116 Ų11673.6 Ų73.654%0.54241%0.405SS..PPolyproline II helixtrans-70141.1-178.1-64.9-62152.300112.6C312 C313 C316C312-E318 WeakPolarHBondContact CA-O 3.27Å; C312-E318 WeakPolarHBondContact CB-O 3.35Å; C313-E318 PolarHBondContact N-O 3.35Å; C316-E318 HydrophobicContact CB-CG 4.35Å; C316-E318 PolarHBondContact O-N 3.11Å
319P94.4Very high94.1Very high92 Ų9277.7 Ų77.760%0.59742%0.419SS*.BIsolated β-bridgetrans-66.3155.1173.630.6-35.3000111.3
320F95Very high94Very high37 Ų3773 Ų7316%0.16241%0.407CS..PPolyproline II helixtrans-76.8128178.4-57-58.4000111.5F311 C312 C313 G324 F325 P332 C334F311-F320 AromaticContact CD1-CD2 3.59Å; F311-F320 HydrophobicContact CD1-CD2 3.59Å; F311-F320 AromaticContact CD1-CE2 3.78Å; F311-F320 HydrophobicContact CD1-CE2 3.78Å; F311-F320 HydrophobicContact CD2-CE2 4.48Å; F311-F320 AromaticContact CE1-CD2 3.53Å; F311-F320 HydrophobicContact CE1-CD2 3.53Å; F311-F320 AromaticContact CE1-CE2 3.67Å; F311-F320 HydrophobicContact CE1-CE2 3.67Å; F311-F320 HydrophobicContact CE2-CE2 4.38Å; F311-F320 HydrophobicContact CG-CD2 4.39Å; F311-F320 HydrophobicContact CG-CE2 4.19Å; F311-F320 HydrophobicContact CZ-CD2 4.27Å; F311-F320 AromaticContact CZ-CE2 3.98Å; F311-F320 HydrophobicContact CZ-CE2 3.98Å; F311-F320 WeakPolarHBondContact O-CD2 3Å; F311-F320 VanDerWaalsContact O-CE2 3.32Å; F311-F320 WeakPolarHBondContact O-CE2 3.28Å; C312-F320 WeakPolarHBondContact O-CZ 3.44Å; C313-F320 HydrophobicContact CB-CE1 3.95Å; C313-F320 HydrophobicContact CB-CZ 4.35Å; C313-F320 VanDerWaalsContact N-CZ 3.26Å; F320-G324 WeakPolarHBondContact CB-O 3.33Å; F320-G324 WeakPolarHBondContact CD1-O 3.21Å; F320-F325 HydrophobicContact CD1-CB 3.57Å; F320-F325 HydrophobicContact CD2-CB 3.84Å; F320-F325 HydrophobicContact CD2-CD1 4.5Å; F320-F325 HydrophobicContact CD2-CG 4.46Å; F320-F325 HydrophobicContact CE1-CB 3.58Å; F320-F325 HydrophobicContact CE2-CB 3.81Å; F320-F325 HydrophobicContact CE2-CG 4.41Å; F320-F325 HydrophobicContact CG-CB 3.72Å; F320-F325 HydrophobicContact CZ-CB 3.7Å; F320-P332 HydrophobicContact CE2-CB 3.88Å; F320-P332 HydrophobicContact CE2-CG 4.26Å; F320-P332 HydrophobicContact CZ-CB 3.6Å; F320-P332 HydrophobicContact CZ-CG 4.12Å; F320-C334 HydrophobicContact CD1-CB 4.44Å; F320-C334 HydrophobicContact CE1-CB 4.34Å
321G90.3Very high93.9Very high58 Ų5876.6 Ų76.660%0.59842%0.419SS*.  trans-83.9-160.9172.200000112.5E323 G324G321-E323 PolarHBondContact O-N 3.27Å; G321-G324 PolarHBondContact O-N 2.94Å
322E90.7Very high93.9Very high211 Ų21175.8 Ų75.899%0.98642%0.415SS*.THydrogen-bonded Turntrans-61.6-25.2-178.9-61.4-179.717900113.7G324E322-G324 PolarHBondContact O-N 3.05Å
323E89.2Confident93.9Very high127 Ų12775 Ų7559%0.59341%0.409SS*.THydrogen-bonded Turntrans-66.2-14.2172.1-58.4-165.213300113.7G321 R335G321-E323 PolarHBondContact O-N 3.27Å; E323-R335 VanDerWaalsContact CD-CD 3.48Å; E323-R335 VanDerWaalsContact OE1-CD 3.29Å; E323-R335 WeakPolarHBondContact OE1-CD 3.42Å; E323-R335 IonicContact OE1-CZ 3.64Å; E323-R335 IonicContact OE1-NE 3.7Å; E323-R335 IonicContact OE1-NH1 3.06Å; E323-R335 PolarHBondContact OE1-NH1 3.05Å; E323-R335 WeakPolarHBondContact OE2-CB 3.49Å; E323-R335 WeakPolarHBondContact OE2-CD 3.45Å
324G92.3Very high93.9Very high29 Ų2975.9 Ų75.930%0.29942%0.415SS..  trans72.3-143.6-175.600000113.4F320 G321 E322F320-G324 WeakPolarHBondContact CB-O 3.33Å; F320-G324 WeakPolarHBondContact CD1-O 3.21Å; G321-G324 PolarHBondContact O-N 2.94Å; E322-G324 PolarHBondContact O-N 3.05Å
325F95.1Very high93.8Very high78 Ų7878.4 Ų78.434%0.34242%0.417SS..  trans-135.6156.2-175.968.2-85.3000111.1A301 L302 F311 F320 P332 Y333A301-F325 HydrophobicContact CB-CZ 4.4Å; L302-F325 HydrophobicContact CD2-CE2 3.72Å; L302-F325 HydrophobicContact CD2-CZ 4.36Å; L302-F325 HydrophobicContact CG-CE2 4.36Å; F311-F325 AromaticContact CE1-CD1 3.55Å; F311-F325 HydrophobicContact CE1-CD1 3.55Å; F311-F325 AromaticContact CE1-CE1 3.74Å; F311-F325 HydrophobicContact CE1-CE1 3.74Å; F311-F325 HydrophobicContact CE1-CG 4.14Å; F311-F325 HydrophobicContact CE1-CZ 4.47Å; F311-F325 AromaticContact CZ-CD1 3.56Å; F311-F325 HydrophobicContact CZ-CD1 3.56Å; F311-F325 HydrophobicContact CZ-CD2 4.1Å; F311-F325 AromaticContact CZ-CE1 3.54Å; F311-F325 HydrophobicContact CZ-CE1 3.54Å; F311-F325 HydrophobicContact CZ-CE2 4.1Å; F311-F325 AromaticContact CZ-CG 3.85Å; F311-F325 HydrophobicContact CZ-CG 3.85Å; F311-F325 AromaticContact CZ-CZ 3.83Å; F311-F325 HydrophobicContact CZ-CZ 3.83Å; F320-F325 HydrophobicContact CD1-CB 3.57Å; F320-F325 HydrophobicContact CD2-CB 3.84Å; F320-F325 HydrophobicContact CD2-CD1 4.5Å; F320-F325 HydrophobicContact CD2-CG 4.46Å; F320-F325 HydrophobicContact CE1-CB 3.58Å; F320-F325 HydrophobicContact CE2-CB 3.81Å; F320-F325 HydrophobicContact CE2-CG 4.41Å; F320-F325 HydrophobicContact CG-CB 3.72Å; F320-F325 HydrophobicContact CZ-CB 3.7Å; F325-P332 HydrophobicContact CB-CB 4.36Å; F325-P332 HydrophobicContact CD2-CB 3.95Å; F325-P332 HydrophobicContact CG-CB 4.34Å; F325-Y333 WeakPolarHBondContact CA-O 3.48Å
326H95.3Very high93.8Very high66 Ų6683.2 Ų83.231%0.30643%0.425SS..EExtended strand (participates in β ladder)trans-107.6139.5168.3-64.1-95.3000110.1P332 Y333 F338H326-P332 CarbonylContact O-C 3.52Å; H326-P332 WeakPolarHBondContact O-CA 3.46Å; H326-Y333 PolarHBondContact N-O 3.48Å; H326-Y333 PolarHBondContact O-N 3.31Å; H326-F338 HydrophobicContact CB-CB 3.85Å; H326-F338 HydrophobicContact CB-CD1 3.91Å; H326-F338 HydrophobicContact CB-CD2 3.3Å; H326-F338 HydrophobicContact CB-CE1 4.29Å; H326-F338 HydrophobicContact CB-CE2 3.72Å; H326-F338 HydrophobicContact CB-CG 3.4Å; H326-F338 VanDerWaalsContact CB-CG 3.4Å; H326-F338 HydrophobicContact CB-CZ 4.2Å; H326-F338 AromaticContact CG-CD1 3.86Å; H326-F338 AromaticContact CG-CG 3.78Å; H326-F338 AromaticContact ND1-CD1 3.97Å
327E95Very high93.8Very high108 Ų10881.8 Ų81.851%0.50542%0.415SS..EExtended strand (participates in β ladder)trans-95.4135.5175.7-172-172160.900111.2L302 G330L302-E327 HydrophobicContact CD2-CB 3.98Å; L302-E327 VanDerWaalsContact CD2-CD 3.42Å; L302-E327 HydrophobicContact CD2-CG 3.59Å; L302-E327 VanDerWaalsContact CD2-OE2 3.24Å; L302-E327 WeakPolarHBondContact CD2-OE2 3.42Å; E327-G330 WeakPolarHBondContact OE1-CA 3.43Å; E327-G330 PolarHBondContact OE1-N 3.46Å
328R94Very high93.8Very high114 Ų11481.7 Ų81.743%0.4340%0.402SS..EExtended strand (participates in β ladder)trans-134.9123.2158.9-172.470.9-178.2-148.9-2.4109G330 R331 Y333 F338 F342R328-G330 VanDerWaalsContact C-N 3.33Å; R328-G330 PolarHBondContact O-N 2.83Å; R328-R331 PolarHBondContact N-O 3.34Å; R328-R331 WeakPolarHBondContact O-CB 3.19Å; R328-R331 PolarHBondContact O-N 3.04Å; R328-Y333 HydrophobicContact CB-CD2 4.19Å; R328-Y333 HydrophobicContact CB-CE2 3.78Å; R328-F338 HydrophobicContact CB-CE2 4.19Å; R328-F342 HydrophobicContact CB-CD2 4.37Å; R328-F342 HydrophobicContact CB-CE2 3.87Å; R328-F342 HydrophobicContact CB-CZ 4Å; R328-F342 HydrophobicContact CG-CD1 4.35Å; R328-F342 HydrophobicContact CG-CD2 4.47Å; R328-F342 HydrophobicContact CG-CE1 3.99Å; R328-F342 HydrophobicContact CG-CE2 4.13Å; R328-F342 HydrophobicContact CG-CZ 3.88Å
329E92.8Very high93.8Very high147 Ų14778.5 Ų78.569%0.68739%0.388SS*.THydrogen-bonded Turntrans5444.9174.3-65.9148.1-141.400112.9R331E329-R331 PolarHBondContact O-N 2.97Å
330G90.6Very high93.7Very high39 Ų3979 Ų7940%0.40238%0.382SS..THydrogen-bonded Turntrans69.812-178.500000115.2L302 E327 R328L302-G330 WeakPolarHBondContact CD1-O 3.28Å; E327-G330 WeakPolarHBondContact OE1-CA 3.43Å; E327-G330 PolarHBondContact OE1-N 3.46Å; R328-G330 VanDerWaalsContact C-N 3.33Å; R328-G330 PolarHBondContact O-N 2.83Å
331R93Very high93.6Very high117 Ų11781.4 Ų81.444%0.44240%0.396SS..EExtended strand (participates in β ladder)trans-115.4133.7178.4-63.5170.264-163.9-0.2110.6V314 R328 E329 Y333V314-R331 VanDerWaalsContact CG1-NH2 3.29Å; V314-R331 HydrophobicContact CG2-CB 4.41Å; R328-R331 PolarHBondContact N-O 3.34Å; R328-R331 WeakPolarHBondContact O-CB 3.19Å; R328-R331 PolarHBondContact O-N 3.04Å; E329-R331 PolarHBondContact O-N 2.97Å; R331-Y333 HydrophobicContact CB-CE2 3.71Å; R331-Y333 PolarHBondContact NE-OH 3.17Å; R331-Y333 PolarHBondContact NH1-OH 3.29Å; R331-Y333 VanDerWaalsContact O-CD2 3.25Å; R331-Y333 WeakPolarHBondContact O-CD2 3.35Å; R331-Y333 VanDerWaalsContact O-CE2 3.28Å; R331-Y333 WeakPolarHBondContact O-CE2 3.47Å
332P95.4Very high93.8Very high2 Ų282.1 Ų82.11%0.01338%0.383CS..EExtended strand (participates in β ladder)trans-89.2139.4179.535.5-34.7000112.2L302 F311 V314 F320 F325 H326L302-P332 HydrophobicContact CD1-CB 3.96Å; L302-P332 HydrophobicContact CD1-CG 3.98Å; F311-P332 HydrophobicContact CD2-CG 4.39Å; F311-P332 HydrophobicContact CE2-CB 4.01Å; F311-P332 HydrophobicContact CE2-CG 3.95Å; F311-P332 HydrophobicContact CZ-CB 4.18Å; V314-P332 HydrophobicContact CG2-CG 4.17Å; V314-P332 WeakPolarHBondContact CG2-O 3.19Å; V314-P332 PolarHBondContact N-O 2.75Å; F320-P332 HydrophobicContact CE2-CB 3.88Å; F320-P332 HydrophobicContact CE2-CG 4.26Å; F320-P332 HydrophobicContact CZ-CB 3.6Å; F320-P332 HydrophobicContact CZ-CG 4.12Å; F325-P332 HydrophobicContact CB-CB 4.36Å; F325-P332 HydrophobicContact CD2-CB 3.95Å; F325-P332 HydrophobicContact CG-CB 4.34Å; H326-P332 CarbonylContact O-C 3.52Å; H326-P332 WeakPolarHBondContact O-CA 3.46Å
333Y96.7Very high93.9Very high10 Ų1072.7 Ų72.74%0.03934%0.341CS..EExtended strand (participates in β ladder)trans-131.8147.3179.9-61.6-94.2000110.2F325 H326 R328 R331 F338 L341 F342F325-Y333 WeakPolarHBondContact CA-O 3.48Å; H326-Y333 PolarHBondContact N-O 3.48Å; H326-Y333 PolarHBondContact O-N 3.31Å; R328-Y333 HydrophobicContact CB-CD2 4.19Å; R328-Y333 HydrophobicContact CB-CE2 3.78Å; R331-Y333 HydrophobicContact CB-CE2 3.71Å; R331-Y333 PolarHBondContact NE-OH 3.17Å; R331-Y333 PolarHBondContact NH1-OH 3.29Å; R331-Y333 VanDerWaalsContact O-CD2 3.25Å; R331-Y333 WeakPolarHBondContact O-CD2 3.35Å; R331-Y333 VanDerWaalsContact O-CE2 3.28Å; R331-Y333 WeakPolarHBondContact O-CE2 3.47Å; Y333-F338 HydrophobicContact CD2-CD2 4.47Å; Y333-L341 HydrophobicContact CD1-CD1 4.12Å; Y333-L341 HydrophobicContact CE1-CD1 3.96Å; Y333-F342 HydrophobicContact CD1-CE2 4.14Å; Y333-F342 AromaticContact CD2-CE2 3.96Å; Y333-F342 HydrophobicContact CD2-CE2 3.96Å; Y333-F342 HydrophobicContact CE1-CE2 4.03Å; Y333-F342 HydrophobicContact CE1-CZ 4.06Å; Y333-F342 AromaticContact CE2-CE2 3.86Å; Y333-F342 HydrophobicContact CE2-CE2 3.86Å; Y333-F342 HydrophobicContact CE2-CZ 4.01Å; Y333-F342 HydrophobicContact CG-CE2 4.1Å; Y333-F342 AromaticContact CZ-CE2 3.89Å; Y333-F342 AromaticContact CZ-CZ 3.73Å
334C96.1Very high94.2Very high21 Ų2170 Ų7014%0.14234%0.335CS..  trans-72.8158.5169.569.80000109.6C313 F320 R336 D337 F338C313-C334 HydrophobicContact CB-CB 3.99Å; C313-C334 PolarHBondContact SG-N 3.12Å; F320-C334 HydrophobicContact CD1-CB 4.44Å; F320-C334 HydrophobicContact CE1-CB 4.34Å; C334-R336 VanDerWaalsContact C-N 3.3Å; C334-R336 PolarHBondContact O-N 3.12Å; C334-D337 PolarHBondContact O-N 2.69Å; C334-D337 PolarHBondContact SG-OD1 2.97Å; C334-F338 WeakPolarHBondContact O-CB 3.45Å; C334-F338 PolarHBondContact O-N 3.38Å
335R93.8Very high94.4Very high123 Ų12373.7 Ų73.746%0.46434%0.34SS..Hα-helixtrans-49.7-48.4-178.7-174.9-178.9179.8-173.20.5112.9E323 L339E323-R335 VanDerWaalsContact CD-CD 3.48Å; E323-R335 VanDerWaalsContact OE1-CD 3.29Å; E323-R335 WeakPolarHBondContact OE1-CD 3.42Å; E323-R335 IonicContact OE1-CZ 3.64Å; E323-R335 IonicContact OE1-NE 3.7Å; E323-R335 IonicContact OE1-NH1 3.06Å; E323-R335 PolarHBondContact OE1-NH1 3.05Å; E323-R335 WeakPolarHBondContact OE2-CB 3.49Å; E323-R335 WeakPolarHBondContact OE2-CD 3.45Å; R335-L339 HydrophobicContact CG-CD1 3.9Å; R335-L339 WeakPolarHBondContact O-CB 3.4Å; R335-L339 WeakPolarHBondContact O-CD1 3.43Å; R335-L339 WeakPolarHBondContact O-CG 3.22Å; R335-L339 PolarHBondContact O-N 2.89Å
336R94.2Very high94.4Very high163 Ų16370 Ų7062%0.61532%0.324SS*.Hα-helixtrans-56.8-54.1179.1-177.9-176.567.2-162.2-2.1112.2C334 L339 Q340C334-R336 VanDerWaalsContact C-N 3.3Å; C334-R336 PolarHBondContact O-N 3.12Å; R336-L339 PolarHBondContact O-N 3Å; R336-Q340 WeakPolarHBondContact O-CB 3.44Å; R336-Q340 PolarHBondContact O-N 3.29Å
337D95.7Very high94.3Very high14 Ų1471.7 Ų71.78%0.07533%0.332CS..Hα-helixtrans-73.2-36.3-173.3-69.323.1000111.1S315 C316 C334 L339 Q340 L341S315-D337 WeakPolarHBondContact CB-OD2 3.31Å; S315-D337 PolarHBondContact OG-OD2 3.38Å; C316-D337 VanDerWaalsContact CB-OD2 3.23Å; C316-D337 WeakPolarHBondContact CB-OD2 3.27Å; C316-D337 PolarHBondContact N-OD2 3.39Å; C316-D337 PolarHBondContact SG-OD2 2.9Å; C334-D337 PolarHBondContact O-N 2.69Å; C334-D337 PolarHBondContact SG-OD1 2.97Å; D337-L339 VanDerWaalsContact C-N 3.35Å; D337-L339 PolarHBondContact O-N 3.25Å; D337-Q340 PolarHBondContact O-N 3.26Å; D337-L341 VanDerWaalsContact O-CB 3.3Å; D337-L341 WeakPolarHBondContact O-CB 3.46Å; D337-L341 WeakPolarHBondContact O-CG 3.46Å; D337-L341 PolarHBondContact O-N 3.21Å
338F95.8Very high94.2Very high44 Ų4467.5 Ų67.519%0.19332%0.318CS..Hα-helixtrans-57.9-47.3172.5-176.8-93.4000111.4H326 R328 Y333 C334 F342H326-F338 HydrophobicContact CB-CB 3.85Å; H326-F338 HydrophobicContact CB-CD1 3.91Å; H326-F338 HydrophobicContact CB-CD2 3.3Å; H326-F338 HydrophobicContact CB-CE1 4.29Å; H326-F338 HydrophobicContact CB-CE2 3.72Å; H326-F338 HydrophobicContact CB-CG 3.4Å; H326-F338 VanDerWaalsContact CB-CG 3.4Å; H326-F338 HydrophobicContact CB-CZ 4.2Å; H326-F338 AromaticContact CG-CD1 3.86Å; H326-F338 AromaticContact CG-CG 3.78Å; H326-F338 AromaticContact ND1-CD1 3.97Å; R328-F338 HydrophobicContact CB-CE2 4.19Å; Y333-F338 HydrophobicContact CD2-CD2 4.47Å; C334-F338 WeakPolarHBondContact O-CB 3.45Å; C334-F338 PolarHBondContact O-N 3.38Å; F338-F342 HydrophobicContact CB-CD2 4.46Å; F338-F342 AromaticContact CD2-CD2 3.5Å; F338-F342 HydrophobicContact CD2-CD2 3.5Å; F338-F342 AromaticContact CD2-CE2 3.95Å; F338-F342 HydrophobicContact CD2-CE2 3.95Å; F338-F342 AromaticContact CE2-CD2 3.84Å; F338-F342 HydrophobicContact CE2-CD2 3.84Å; F338-F342 HydrophobicContact CE2-CE2 4.43Å; F338-F342 AromaticContact CG-CD2 3.97Å; F338-F342 HydrophobicContact CG-CD2 3.97Å; F338-F342 WeakPolarHBondContact O-CB 3.31Å; F338-F342 VanDerWaalsContact O-CD2 3.27Å; F338-F342 WeakPolarHBondContact O-CD2 3.09Å; F338-F342 PolarHBondContact O-N 2.89Å
339L93.6Very high94.2Very high49 Ų4965.3 Ų65.326%0.25732%0.319SS..Hα-helixtrans-66.9-43.7177.3-68169.8000111.6R335 R336 D337 L341 A343 L354R335-L339 HydrophobicContact CG-CD1 3.9Å; R335-L339 WeakPolarHBondContact O-CB 3.4Å; R335-L339 WeakPolarHBondContact O-CD1 3.43Å; R335-L339 WeakPolarHBondContact O-CG 3.22Å; R335-L339 PolarHBondContact O-N 2.89Å; R336-L339 PolarHBondContact O-N 3Å; D337-L339 VanDerWaalsContact C-N 3.35Å; D337-L339 PolarHBondContact O-N 3.25Å; L339-L341 VanDerWaalsContact C-N 3.3Å; L339-L341 PolarHBondContact O-N 2.98Å; L339-A343 HydrophobicContact CD2-CB 4.48Å; L339-A343 WeakPolarHBondContact O-CB 3.5Å; L339-A343 PolarHBondContact O-N 3.33Å; L339-L354 HydrophobicContact CB-CD2 3.77Å; L339-L354 HydrophobicContact CD1-CD2 4.13Å; L339-L354 HydrophobicContact CD2-CD2 4.11Å; L339-L354 HydrophobicContact CG-CD2 4.21Å
340Q93.1Very high94.3Very high103 Ų10363.1 Ų63.148%0.48131%0.309SS..Hα-helixtrans-63.3-34.5-179.7-176.761.414.300113.3R336 D337 R345R336-Q340 WeakPolarHBondContact O-CB 3.44Å; R336-Q340 PolarHBondContact O-N 3.29Å; D337-Q340 PolarHBondContact O-N 3.26Å; Q340-R345 PolarHBondContact O-NH2 3.49Å
341L93.5Very high94.5Very high87 Ų8762.3 Ų62.346%0.45530%0.3SS..Hα-helixtrans-87.5-42.1-178.6-65.9172.2000112.9Y333 D337 L339Y333-L341 HydrophobicContact CD1-CD1 4.12Å; Y333-L341 HydrophobicContact CE1-CD1 3.96Å; D337-L341 VanDerWaalsContact O-CB 3.3Å; D337-L341 WeakPolarHBondContact O-CB 3.46Å; D337-L341 WeakPolarHBondContact O-CG 3.46Å; D337-L341 PolarHBondContact O-N 3.21Å; L339-L341 VanDerWaalsContact C-N 3.3Å; L339-L341 PolarHBondContact O-N 2.98Å
342F94.1Very high94.6Very high72 Ų7257.9 Ų57.932%0.31629%0.286SS..Hα-helixtrans-116.2-8.7-166.3-49-61.8000115.5R328 Y333 F338R328-F342 HydrophobicContact CB-CD2 4.37Å; R328-F342 HydrophobicContact CB-CE2 3.87Å; R328-F342 HydrophobicContact CB-CZ 4Å; R328-F342 HydrophobicContact CG-CD1 4.35Å; R328-F342 HydrophobicContact CG-CD2 4.47Å; R328-F342 HydrophobicContact CG-CE1 3.99Å; R328-F342 HydrophobicContact CG-CE2 4.13Å; R328-F342 HydrophobicContact CG-CZ 3.88Å; Y333-F342 HydrophobicContact CD1-CE2 4.14Å; Y333-F342 AromaticContact CD2-CE2 3.96Å; Y333-F342 HydrophobicContact CD2-CE2 3.96Å; Y333-F342 HydrophobicContact CE1-CE2 4.03Å; Y333-F342 HydrophobicContact CE1-CZ 4.06Å; Y333-F342 AromaticContact CE2-CE2 3.86Å; Y333-F342 HydrophobicContact CE2-CE2 3.86Å; Y333-F342 HydrophobicContact CE2-CZ 4.01Å; Y333-F342 HydrophobicContact CG-CE2 4.1Å; Y333-F342 AromaticContact CZ-CE2 3.89Å; Y333-F342 AromaticContact CZ-CZ 3.73Å; F338-F342 HydrophobicContact CB-CD2 4.46Å; F338-F342 AromaticContact CD2-CD2 3.5Å; F338-F342 HydrophobicContact CD2-CD2 3.5Å; F338-F342 AromaticContact CD2-CE2 3.95Å; F338-F342 HydrophobicContact CD2-CE2 3.95Å; F338-F342 AromaticContact CE2-CD2 3.84Å; F338-F342 HydrophobicContact CE2-CD2 3.84Å; F338-F342 HydrophobicContact CE2-CE2 4.43Å; F338-F342 AromaticContact CG-CD2 3.97Å; F338-F342 HydrophobicContact CG-CD2 3.97Å; F338-F342 WeakPolarHBondContact O-CB 3.31Å; F338-F342 VanDerWaalsContact O-CD2 3.27Å; F338-F342 WeakPolarHBondContact O-CD2 3.09Å; F338-F342 PolarHBondContact O-N 2.89Å
343A93.7Very high94.5Very high14 Ų1458.3 Ų58.312%0.11629%0.288CS..SBendtrans-68.9150.3173.900000111.2L339 P352 L354L339-A343 HydrophobicContact CD2-CB 4.48Å; L339-A343 WeakPolarHBondContact O-CB 3.5Å; L339-A343 PolarHBondContact O-N 3.33Å; A343-P352 HydrophobicContact CB-CB 3.84Å; A343-L354 HydrophobicContact CB-CD2 4.34Å
344P94.8Very high94.3Very high70 Ų7061.9 Ų61.946%0.45531%0.308SS..PPolyproline II helixtrans-59.6145.7174.1-18.130.5000111.2P352 I353 L364P344-P352 CarbonylContact O-C 3.6Å; P344-I353 WeakPolarHBondContact O-CB 3.28Å; P344-I353 PolarHBondContact O-N 3.46Å; P344-L364 HydrophobicContact CB-CD1 3.55Å; P344-L364 HydrophobicContact CG-CD1 4.23Å
345R95.4Very high93.9Very high107 Ų10766.5 Ų66.540%0.40433%0.331SS..BIsolated β-bridgetrans-95.5140.1-178.5-63.4-172.3-179.2-69.7-17.5111.5Q340 Q350 G351Q340-R345 PolarHBondContact O-NH2 3.49Å; R345-Q350 PolarHBondContact NH1-O 2.99Å; R345-G351 WeakPolarHBondContact CA-O 3.32Å
346C95.9Very high93.8Very high0 Ų064.3 Ų64.30%033%0.328CS..PPolyproline II helixtrans-75.1124.7171.7169.80000110.5G348 C349 Q350 G351 I353 L364 H366 C369C346-G348 PolarHBondContact O-N 3.49Å; C346-G348 VanDerWaalsContact O-N 3.11Å; C346-G348 PolarHBondContact SG-N 3.4Å; C346-C349 PolarHBondContact O-N 3.35Å; C346-Q350 WeakPolarHBondContact O-CA 3.44Å; C346-Q350 PolarHBondContact O-N 3.31Å; C346-G351 PolarHBondContact N-O 2.94Å; C346-I353 HydrophobicContact CB-CD1 4.02Å; C346-I353 HydrophobicContact CB-CG1 3.87Å; C346-L364 CarbonylContact C-O 3.51Å; C346-L364 WeakPolarHBondContact CA-O 3.47Å; C346-H366 VanDerWaalsContact CB-CE1 3.43Å; C346-H366 WeakPolarHBondContact CB-CE1 3.5Å; C346-H366 WeakPolarHBondContact CB-ND1 3.48Å; C346-H366 PolarHBondContact SG-N 3.49Å; C346-H366 VanDerWaalsContact SG-N 3.38Å; C346-H366 PolarHBondContact SG-ND1 2.97Å; C346-C369 WeakPolarHBondContact SG-CB 3.46Å
347Q94Very high93.8Very high102 Ų10259.1 Ų59.148%0.47731%0.309SS..THydrogen-bonded Turntrans-61.7-23.4178.7-172.766.7-18.500113.4Q350 A363 L364 W365Q347-Q350 PolarHBondContact O-NE2 3.48Å; Q347-A363 HydrophobicContact CB-CB 3.88Å; Q347-A363 HydrophobicContact CG-CB 4.04Å; Q347-L364 PolarHBondContact N-O 3.33Å; Q347-W365 HydrophobicContact CB-CD2 4.02Å; Q347-W365 HydrophobicContact CB-CE3 4.06Å; Q347-W365 HydrophobicContact CB-CH2 3.77Å; Q347-W365 HydrophobicContact CB-CZ2 3.74Å; Q347-W365 HydrophobicContact CB-CZ3 3.93Å; Q347-W365 HydrophobicContact CG-CH2 3.55Å; Q347-W365 HydrophobicContact CG-CZ2 3.64Å; Q347-W365 HydrophobicContact CG-CZ3 4.13Å
348G92.3Very high93.6Very high20 Ų2059.4 Ų59.421%0.20631%0.311CS..THydrogen-bonded Turntrans-79.5-33-179.600000115.8C346 R373C346-G348 PolarHBondContact O-N 3.49Å; C346-G348 VanDerWaalsContact O-N 3.11Å; C346-G348 PolarHBondContact SG-N 3.4Å; G348-R373 PolarHBondContact O-NH1 3.21Å
349C94.2Very high93.5Very high67 Ų6760.7 Ų60.745%0.45333%0.325SS..THydrogen-bonded Turntrans-132-6.3-174.671.20000114.6C346 G351 H366C346-C349 PolarHBondContact O-N 3.35Å; C349-G351 PolarHBondContact O-N 2.87Å; C349-G351 PolarHBondContact SG-N 3.2Å; C349-H366 PolarHBondContact SG-CE1 2.76Å; C349-H366 PolarHBondContact SG-ND1 3.25Å; C349-H366 VanDerWaalsContact SG-ND1 3.37Å
350Q94.2Very high93.4Very high102 Ų10258.9 Ų58.948%0.47732%0.317SS..  trans60.81-175.1-56.8-61.4-3100116.3R345 C346 Q347R345-Q350 PolarHBondContact NH1-O 2.99Å; C346-Q350 WeakPolarHBondContact O-CA 3.44Å; C346-Q350 PolarHBondContact O-N 3.31Å; Q347-Q350 PolarHBondContact O-NE2 3.48Å
351G94.1Very high93.3Very high21 Ų2155.1 Ų55.122%0.21630%0.3CS..  trans-72.2161171.200000113.4R345 C346 C349R345-G351 WeakPolarHBondContact CA-O 3.32Å; C346-G351 PolarHBondContact N-O 2.94Å; C349-G351 PolarHBondContact O-N 2.87Å; C349-G351 PolarHBondContact SG-N 3.2Å
352P95.6Very high93.1Very high24 Ų2457.7 Ų57.716%0.15633%0.325CS..BIsolated β-bridgetrans-68.6142.9178.831-36.7000112A343 P344 L354 H366A343-P352 HydrophobicContact CB-CB 3.84Å; P344-P352 CarbonylContact O-C 3.6Å; P352-L354 HydrophobicContact CB-CD2 3.86Å; P352-L354 HydrophobicContact CG-CD2 4.11Å; P352-H366 PolarHBondContact O-CE1 3.06Å; P352-H366 PolarHBondContact O-NE2 2.79Å
353I94.8Very high93Very high12 Ų1255.1 Ų55.16%0.06232%0.318CS..  trans-92.9109.1171.8-64.2178000107.6P344 C346 Y357 L364P344-I353 WeakPolarHBondContact O-CB 3.28Å; P344-I353 PolarHBondContact O-N 3.46Å; C346-I353 HydrophobicContact CB-CD1 4.02Å; C346-I353 HydrophobicContact CB-CG1 3.87Å; I353-Y357 HydrophobicContact CG2-CG 4.45Å; I353-L364 HydrophobicContact CD1-CB 3.46Å; I353-L364 VanDerWaalsContact CD1-CB 3.46Å
354L91.1Very high93.1Very high85 Ų8557 Ų5745%0.44533%0.325SS..  trans-96-30-177.1-50.7-172.2000112.7L339 A343 P352L339-L354 HydrophobicContact CB-CD2 3.77Å; L339-L354 HydrophobicContact CD1-CD2 4.13Å; L339-L354 HydrophobicContact CD2-CD2 4.11Å; L339-L354 HydrophobicContact CG-CD2 4.21Å; A343-L354 HydrophobicContact CB-CD2 4.34Å; P352-L354 HydrophobicContact CB-CD2 3.86Å; P352-L354 HydrophobicContact CG-CD2 4.11Å
355D87.8Confident93.1Very high118 Ų11854 Ų5463%0.63131%0.305SS*.SBendtrans-129-152.1-170.8-76.9-64.3000111.2Y357D355-Y357 PolarHBondContact O-N 3.17Å
356N91.2Very high93.1Very high76 Ų7651.1 Ų51.141%0.40630%0.296SS..  trans-45.2135.7177.3-64-45.7000113P66 R67 S68 P367P66-N356 HydrophobicContact CB-CB 4.49Å; R67-N356 WeakPolarHBondContact O-CA 3.33Å; S68-N356 PolarHBondContact OG-OD1 3.3Å; N356-P367 VanDerWaalsContact O-CD 3.31Å; N356-P367 WeakPolarHBondContact O-CD 3.25Å
357Y94.2Very high93Very high55 Ų5553.7 Ų53.722%0.21631%0.313CS..BIsolated β-bridgetrans-135.7155.1-177.365-90.8000112.7P66 R67 I353 D355 L364 W365P66-Y357 WeakPolarHBondContact CA-O 3.48Å; R67-Y357 HydrophobicContact CB-CE1 4.11Å; R67-Y357 HydrophobicContact CB-CE2 4.31Å; R67-Y357 PolarHBondContact N-O 2.89Å; R67-Y357 WeakPolarHBondContact O-CD1 3.25Å; R67-Y357 WeakPolarHBondContact O-CE1 3.43Å; R67-Y357 PolarHBondContact O-N 3.03Å; R67-Y357 VanDerWaalsContact O-N 3.12Å; I353-Y357 HydrophobicContact CG2-CG 4.45Å; D355-Y357 PolarHBondContact O-N 3.17Å; Y357-L364 HydrophobicContact CD2-CD2 3.67Å; Y357-L364 HydrophobicContact CE2-CD2 3.81Å; Y357-W365 WeakPolarHBondContact CA-O 3.21Å
358I92.8Very high93Very high20 Ų2055.7 Ų55.710%0.10333%0.327CS..EExtended strand (participates in β ladder)trans-99.3129.9167.8-69.7172.8000108.2V63 A360 L364 W365 P367 F370V63-I358 HydrophobicContact CG1-CD1 4.3Å; V63-I358 HydrophobicContact CG1-CG1 4.22Å; V63-I358 HydrophobicContact CG1-CG2 3.79Å; I358-A360 HydrophobicContact CG2-CB 3.98Å; I358-L364 WeakPolarHBondContact O-CA 3.23Å; I358-W365 HydrophobicContact CB-CB 4.37Å; I358-W365 PolarHBondContact N-O 3.35Å; I358-W365 PolarHBondContact O-N 3.36Å; I358-P367 HydrophobicContact CD1-CB 4.5Å; I358-F370 HydrophobicContact CB-CB 4.42Å; I358-F370 HydrophobicContact CD1-CB 3.72Å; I358-F370 HydrophobicContact CD1-CD1 4.17Å; I358-F370 HydrophobicContact CD1-CG 4.19Å; I358-F370 HydrophobicContact CG2-CB 4.32Å; I358-F370 HydrophobicContact CG2-CD1 4.05Å; I358-F370 HydrophobicContact CG2-CD2 4.22Å; I358-F370 HydrophobicContact CG2-CE1 4.49Å; I358-F370 HydrophobicContact CG2-CG 3.91Å
359S93.2Very high93.1Very high70 Ų7056 Ų5649%0.4933%0.326SS..EExtended strand (participates in β ladder)trans-103.6109.6171.2-175.40000108.4
360A91.3Very high93.1Very high11 Ų1153.2 Ų53.29%0.09131%0.305CS..EExtended strand (participates in β ladder)trans-156.9152.5-176.500000109.7I358 S362 A363 W365 F370 F384I358-A360 HydrophobicContact CG2-CB 3.98Å; A360-S362 VanDerWaalsContact C-N 3.29Å; A360-S362 PolarHBondContact O-N 2.89Å; A360-A363 PolarHBondContact N-O 3.03Å; A360-A363 CarbonylContact O-C 3.54Å; A360-A363 PolarHBondContact O-N 2.73Å; A360-W365 PolarHBondContact O-NE1 3.3Å; A360-F370 HydrophobicContact CB-CD2 4.34Å; A360-F370 HydrophobicContact CB-CE1 4.43Å; A360-F370 HydrophobicContact CB-CE2 3.55Å; A360-F370 HydrophobicContact CB-CZ 3.61Å; A360-F384 HydrophobicContact CB-CZ 4.12Å
361L90.3Very high93.1Very high25 Ų2549.1 Ų49.113%0.13129%0.288CS..THydrogen-bonded Turntrans55.143.8179.5-52.1-178.2000112.8A363 W365 F370 F384 E386 P391L361-A363 WeakPolarHBondContact O-CB 3.47Å; L361-A363 PolarHBondContact O-N 3.43Å; L361-W365 HydrophobicContact CB-CZ2 4.38Å; L361-W365 HydrophobicContact CD1-CZ2 4.05Å; L361-F370 HydrophobicContact CD1-CE2 4.45Å; L361-F384 HydrophobicContact CD2-CE2 3.73Å; L361-F384 HydrophobicContact CG-CE2 4.16Å; L361-E386 HydrophobicContact CD2-CB 3.72Å; L361-E386 VanDerWaalsContact CD2-CD 3.46Å; L361-E386 HydrophobicContact CD2-CG 3.56Å; L361-E386 VanDerWaalsContact CD2-OE2 3.3Å; L361-E386 WeakPolarHBondContact CD2-OE2 3.48Å; L361-P391 HydrophobicContact CD1-CB 3.84Å; L361-P391 HydrophobicContact CD1-CG 4.08Å
362S89.5Confident93.1Very high140 Ų14048.1 Ų48.198%0.97928%0.277SS*.THydrogen-bonded Turntrans48.119.7-172.457.80000116A360A360-S362 VanDerWaalsContact C-N 3.29Å; A360-S362 PolarHBondContact O-N 2.89Å
363A93.5Very high93Very high19 Ų1950.8 Ų50.816%0.15728%0.284CS..EExtended strand (participates in β ladder)trans-134.3170.3-175.500000112.1Q347 A360 L361 W365Q347-A363 HydrophobicContact CB-CB 3.88Å; Q347-A363 HydrophobicContact CG-CB 4.04Å; A360-A363 PolarHBondContact N-O 3.03Å; A360-A363 CarbonylContact O-C 3.54Å; A360-A363 PolarHBondContact O-N 2.73Å; L361-A363 WeakPolarHBondContact O-CB 3.47Å; L361-A363 PolarHBondContact O-N 3.43Å; A363-W365 HydrophobicContact CB-CZ2 4.47Å
364L95.5Very high92.9Very high52 Ų5255.3 Ų55.327%0.27231%0.305SS..EExtended strand (participates in β ladder)trans-107.8144.1178.9-57.7175.5000110.7P344 C346 Q347 I353 Y357 I358P344-L364 HydrophobicContact CB-CD1 3.55Å; P344-L364 HydrophobicContact CG-CD1 4.23Å; C346-L364 CarbonylContact C-O 3.51Å; C346-L364 WeakPolarHBondContact CA-O 3.47Å; Q347-L364 PolarHBondContact N-O 3.33Å; I353-L364 HydrophobicContact CD1-CB 3.46Å; I353-L364 VanDerWaalsContact CD1-CB 3.46Å; Y357-L364 HydrophobicContact CD2-CD2 3.67Å; Y357-L364 HydrophobicContact CE2-CD2 3.81Å; I358-L364 WeakPolarHBondContact O-CA 3.23Å
365W95.3Very high93Very high8 Ų854 Ų543%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-139.5142.1-175.5-49.479000110.8Q347 Y357 I358 A360 L361 A363 F370 P391Q347-W365 HydrophobicContact CB-CD2 4.02Å; Q347-W365 HydrophobicContact CB-CE3 4.06Å; Q347-W365 HydrophobicContact CB-CH2 3.77Å; Q347-W365 HydrophobicContact CB-CZ2 3.74Å; Q347-W365 HydrophobicContact CB-CZ3 3.93Å; Q347-W365 HydrophobicContact CG-CH2 3.55Å; Q347-W365 HydrophobicContact CG-CZ2 3.64Å; Q347-W365 HydrophobicContact CG-CZ3 4.13Å; Y357-W365 WeakPolarHBondContact CA-O 3.21Å; I358-W365 HydrophobicContact CB-CB 4.37Å; I358-W365 PolarHBondContact N-O 3.35Å; I358-W365 PolarHBondContact O-N 3.36Å; A360-W365 PolarHBondContact O-NE1 3.3Å; L361-W365 HydrophobicContact CB-CZ2 4.38Å; L361-W365 HydrophobicContact CD1-CZ2 4.05Å; A363-W365 HydrophobicContact CB-CZ2 4.47Å; W365-F370 HydrophobicContact CB-CB 4.05Å; W365-F370 HydrophobicContact CB-CD2 4.13Å; W365-F370 AromaticContact CD1-CD2 3.8Å; W365-F370 AromaticContact CD2-CD2 3.7Å; W365-F370 HydrophobicContact CD2-CD2 3.7Å; W365-F370 HydrophobicContact CD2-CE2 4.34Å; W365-F370 AromaticContact CE2-CD2 3.98Å; W365-F370 HydrophobicContact CE3-CD2 4.24Å; W365-F370 HydrophobicContact CG-CB 4.45Å; W365-F370 AromaticContact CG-CD2 3.62Å; W365-F370 HydrophobicContact CG-CD2 3.62Å; W365-F370 HydrophobicContact CG-CE2 4.41Å; W365-F370 HydrophobicContact CG-CG 4.45Å; W365-P391 HydrophobicContact CH2-CG 4.35Å
366H95.4Very high93.3Very high46 Ų4654.1 Ų54.121%0.21330%0.303CS..  trans-63148.3158.9-56.6109.6000109.1C346 C349 P352 D368 C369 F370C346-H366 VanDerWaalsContact CB-CE1 3.43Å; C346-H366 WeakPolarHBondContact CB-CE1 3.5Å; C346-H366 WeakPolarHBondContact CB-ND1 3.48Å; C346-H366 PolarHBondContact SG-N 3.49Å; C346-H366 VanDerWaalsContact SG-N 3.38Å; C346-H366 PolarHBondContact SG-ND1 2.97Å; C349-H366 PolarHBondContact SG-CE1 2.76Å; C349-H366 PolarHBondContact SG-ND1 3.25Å; C349-H366 VanDerWaalsContact SG-ND1 3.37Å; P352-H366 PolarHBondContact O-CE1 3.06Å; P352-H366 PolarHBondContact O-NE2 2.79Å; H366-D368 VanDerWaalsContact C-N 3.3Å; H366-D368 PolarHBondContact O-N 3.27Å; H366-C369 HydrophobicContact CB-CB 3.98Å; H366-C369 WeakPolarHBondContact O-CA 3.28Å; H366-C369 WeakPolarHBondContact O-CB 3.43Å; H366-C369 PolarHBondContact O-N 3.03Å; H366-F370 PolarHBondContact O-N 3.11Å; H366-F370 VanDerWaalsContact O-N 3.12Å
367P92.9Very high93.4Very high55 Ų5552.6 Ų52.636%0.35730%0.3SS..G310 helixtrans-50.7-48.3176-28.936.5000112.7N356 I358 C369 F370N356-P367 VanDerWaalsContact O-CD 3.31Å; N356-P367 WeakPolarHBondContact O-CD 3.25Å; I358-P367 HydrophobicContact CD1-CB 4.5Å; P367-C369 PolarHBondContact O-N 3.21Å; P367-F370 PolarHBondContact O-N 3.23Å
368D93.3Very high93.3Very high144 Ų14455 Ų5577%0.7732%0.322SS*.G310 helixtrans-71.5-16.6179.8-47.7-54.8000113.5H366 V371H366-D368 VanDerWaalsContact C-N 3.3Å; H366-D368 PolarHBondContact O-N 3.27Å; D368-V371 WeakPolarHBondContact O-CG1 3.45Å
369C94.6Very high93.2Very high27 Ų2755.1 Ų55.118%0.18232%0.322CS..G310 helixtrans-88.7-17174.3-75.30000112.9C346 H366 P367 V371 R373C346-C369 WeakPolarHBondContact SG-CB 3.46Å; H366-C369 HydrophobicContact CB-CB 3.98Å; H366-C369 WeakPolarHBondContact O-CA 3.28Å; H366-C369 WeakPolarHBondContact O-CB 3.43Å; H366-C369 PolarHBondContact O-N 3.03Å; P367-C369 PolarHBondContact O-N 3.21Å; C369-V371 PolarHBondContact O-N 3.35Å; C369-R373 PolarHBondContact O-NH2 3.45Å
370F94.2Very high92.6Very high7 Ų756.6 Ų56.63%0.03133%0.333CS..  trans-85.968.2178.4-162.3-105.3000111.2V63 I358 A360 L361 W365 H366 P367 F379 F384 P391V63-F370 HydrophobicContact CG2-CD1 4Å; V63-F370 HydrophobicContact CG2-CE1 3.46Å; V63-F370 VanDerWaalsContact CG2-CE1 3.46Å; V63-F370 HydrophobicContact CG2-CZ 4.33Å; I358-F370 HydrophobicContact CB-CB 4.42Å; I358-F370 HydrophobicContact CD1-CB 3.72Å; I358-F370 HydrophobicContact CD1-CD1 4.17Å; I358-F370 HydrophobicContact CD1-CG 4.19Å; I358-F370 HydrophobicContact CG2-CB 4.32Å; I358-F370 HydrophobicContact CG2-CD1 4.05Å; I358-F370 HydrophobicContact CG2-CD2 4.22Å; I358-F370 HydrophobicContact CG2-CE1 4.49Å; I358-F370 HydrophobicContact CG2-CG 3.91Å; A360-F370 HydrophobicContact CB-CD2 4.34Å; A360-F370 HydrophobicContact CB-CE1 4.43Å; A360-F370 HydrophobicContact CB-CE2 3.55Å; A360-F370 HydrophobicContact CB-CZ 3.61Å; L361-F370 HydrophobicContact CD1-CE2 4.45Å; W365-F370 HydrophobicContact CB-CB 4.05Å; W365-F370 HydrophobicContact CB-CD2 4.13Å; W365-F370 AromaticContact CD1-CD2 3.8Å; W365-F370 AromaticContact CD2-CD2 3.7Å; W365-F370 HydrophobicContact CD2-CD2 3.7Å; W365-F370 HydrophobicContact CD2-CE2 4.34Å; W365-F370 AromaticContact CE2-CD2 3.98Å; W365-F370 HydrophobicContact CE3-CD2 4.24Å; W365-F370 HydrophobicContact CG-CB 4.45Å; W365-F370 AromaticContact CG-CD2 3.62Å; W365-F370 HydrophobicContact CG-CD2 3.62Å; W365-F370 HydrophobicContact CG-CE2 4.41Å; W365-F370 HydrophobicContact CG-CG 4.45Å; H366-F370 PolarHBondContact O-N 3.11Å; H366-F370 VanDerWaalsContact O-N 3.12Å; P367-F370 PolarHBondContact O-N 3.23Å; F370-F379 AromaticContact CD1-CD2 3.54Å; F370-F379 HydrophobicContact CD1-CD2 3.54Å; F370-F379 AromaticContact CD1-CE2 3.66Å; F370-F379 HydrophobicContact CD1-CE2 3.66Å; F370-F379 AromaticContact CE1-CD2 3.51Å; F370-F379 HydrophobicContact CE1-CD2 3.51Å; F370-F379 AromaticContact CE1-CE2 3.57Å; F370-F379 HydrophobicContact CE1-CE2 3.57Å; F370-F379 HydrophobicContact CG-CD2 4.48Å; F370-F379 HydrophobicContact CG-CE2 4.25Å; F370-F379 HydrophobicContact CZ-CD2 4.45Å; F370-F379 HydrophobicContact CZ-CE2 4.12Å; F370-F379 VanDerWaalsContact O-CD2 3.23Å; F370-F379 WeakPolarHBondContact O-CD2 3.43Å; F370-F379 VanDerWaalsContact O-CE2 3.25Å; F370-F379 WeakPolarHBondContact O-CE2 3.45Å; F370-F384 HydrophobicContact CE1-CB 4.48Å; F370-F384 AromaticContact CE1-CD1 3.72Å; F370-F384 HydrophobicContact CE1-CD1 3.72Å; F370-F384 HydrophobicContact CE1-CD2 4.46Å; F370-F384 HydrophobicContact CE1-CE1 4.02Å; F370-F384 AromaticContact CE1-CG 3.96Å; F370-F384 HydrophobicContact CE1-CG 3.96Å; F370-F384 AromaticContact CZ-CD1 3.83Å; F370-F384 HydrophobicContact CZ-CD1 3.83Å; F370-F384 AromaticContact CZ-CD2 3.86Å; F370-F384 HydrophobicContact CZ-CD2 3.86Å; F370-F384 AromaticContact CZ-CE1 3.88Å; F370-F384 HydrophobicContact CZ-CE1 3.88Å; F370-F384 AromaticContact CZ-CE2 3.91Å; F370-F384 HydrophobicContact CZ-CE2 3.91Å; F370-F384 AromaticContact CZ-CG 3.82Å; F370-F384 HydrophobicContact CZ-CG 3.82Å; F370-F384 AromaticContact CZ-CZ 3.91Å; F370-F384 HydrophobicContact CZ-CZ 3.91Å; F370-P391 HydrophobicContact CD2-CB 4.48Å; F370-P391 HydrophobicContact CD2-CG 4.24Å; F370-P391 HydrophobicContact CE2-CB 3.75Å; F370-P391 HydrophobicContact CE2-CG 3.89Å; F370-P391 HydrophobicContact CZ-CB 3.82Å; F370-P391 HydrophobicContact CZ-CG 4.44Å
371V94.2Very high91.9Very high17 Ų1760.3 Ų60.310%0.10337%0.372CS..BIsolated β-bridgetrans-121.4160.2-178.3-620000111.5D368 C369 R373 L376 A377 P378D368-V371 WeakPolarHBondContact O-CG1 3.45Å; C369-V371 PolarHBondContact O-N 3.35Å; V371-R373 PolarHBondContact O-N 3.42Å; V371-L376 WeakPolarHBondContact CB-O 3.41Å; V371-L376 HydrophobicContact CG2-CB 4.4Å; V371-L376 HydrophobicContact CG2-CD2 4.29Å; V371-A377 WeakPolarHBondContact CB-O 3.48Å; V371-P378 HydrophobicContact CG1-CB 4.44Å
372C94.8Very high91.3Very high0 Ų060.2 Ų60.20%038%0.377CS..  trans-59124.4176.5177.20000110.8E374 C375 L376 A377 F379 P391 C393 H396C372-E374 PolarHBondContact O-N 3.48Å; C372-C375 PolarHBondContact O-N 2.88Å; C372-C375 VanDerWaalsContact SG-SG 3.63Å; C372-L376 WeakPolarHBondContact O-CA 3.25Å; C372-L376 PolarHBondContact O-N 2.91Å; C372-A377 PolarHBondContact N-O 2.86Å; C372-F379 HydrophobicContact CB-CE1 3.82Å; C372-F379 HydrophobicContact CB-CZ 4.11Å; C372-P391 WeakPolarHBondContact CA-O 3.46Å; C372-C393 HydrophobicContact CB-CB 4.1Å; C372-C393 PolarHBondContact SG-N 3.42Å; C372-H396 PolarHBondContact SG-ND1 2.98Å
373R92.3Very high91.1Very high79 Ų7954.9 Ų54.930%0.29834%0.34SS..THydrogen-bonded Turntrans-65.3-22.2-173.5-70.3-71137.4173.6-3.9115.5G348 C369 V371 R390 P391 L392G348-R373 PolarHBondContact O-NH1 3.21Å; C369-R373 PolarHBondContact O-NH2 3.45Å; V371-R373 PolarHBondContact O-N 3.42Å; R373-R390 HydrophobicContact CG-CB 4.07Å; R373-P391 HydrophobicContact CG-CG 4.41Å; R373-P391 PolarHBondContact N-O 3.15Å; R373-L392 HydrophobicContact CB-CD2 4.18Å
374E92.8Very high91.1Very high108 Ų10854.3 Ų54.351%0.50533%0.334SS..THydrogen-bonded Turntrans-87-38.1179.8-62.7-68.2177.900113.9C372 L392 H396 Q400C372-E374 PolarHBondContact O-N 3.48Å; E374-L392 HydrophobicContact CG-CD2 3.76Å; E374-H396 HydrophobicContact CB-CB 4.12Å; E374-H396 HydrophobicContact CG-CB 4.01Å; E374-Q400 PolarHBondContact OE1-NE2 3.24Å
375C93.9Very high90.9Very high58 Ų5852.6 Ų52.639%0.39232%0.324SS..THydrogen-bonded Turntrans-118.8-1.5-175.863.10000115.1C372 A377 H396C372-C375 PolarHBondContact O-N 2.88Å; C372-C375 VanDerWaalsContact SG-SG 3.63Å; C375-A377 PolarHBondContact O-N 2.99Å; C375-H396 VanDerWaalsContact CB-CE1 3.47Å; C375-H396 WeakPolarHBondContact CB-CE1 3.3Å; C375-H396 PolarHBondContact SG-CE1 2.84Å
376L93.6Very high90.7Very high120 Ų12056.3 Ų56.363%0.62834%0.342SS*.  trans57.712-178.3-50.1178.9000115.1V371 C372V371-L376 WeakPolarHBondContact CB-O 3.41Å; V371-L376 HydrophobicContact CG2-CB 4.4Å; V371-L376 HydrophobicContact CG2-CD2 4.29Å; C372-L376 WeakPolarHBondContact O-CA 3.25Å; C372-L376 PolarHBondContact O-N 2.91Å
377A93Very high90.4Very high43 Ų4357 Ų5736%0.35535%0.345SS..  trans-76.4142.3175.800000111.6V371 C372 C375V371-A377 WeakPolarHBondContact CB-O 3.48Å; C372-A377 PolarHBondContact N-O 2.86Å; C375-A377 PolarHBondContact O-N 2.99Å
378P92.2Very high90.1Very high105 Ų10561.9 Ų61.968%0.68236%0.363SS*.BIsolated β-bridgetrans-67.8156.1172.530.1-35.5000111.8V371 S380V371-P378 HydrophobicContact CG1-CB 4.44Å; P378-S380 PolarHBondContact O-N 3.2Å
379F91.4Very high89.6Confident24 Ų2456.7 Ų56.711%0.10534%0.344CS..  trans-79105.7-177.5-62.1-62.5000112.3F370 C372 G381 G382 S383 F384 P391 L392 C393F370-F379 AromaticContact CD1-CD2 3.54Å; F370-F379 HydrophobicContact CD1-CD2 3.54Å; F370-F379 AromaticContact CD1-CE2 3.66Å; F370-F379 HydrophobicContact CD1-CE2 3.66Å; F370-F379 AromaticContact CE1-CD2 3.51Å; F370-F379 HydrophobicContact CE1-CD2 3.51Å; F370-F379 AromaticContact CE1-CE2 3.57Å; F370-F379 HydrophobicContact CE1-CE2 3.57Å; F370-F379 HydrophobicContact CG-CD2 4.48Å; F370-F379 HydrophobicContact CG-CE2 4.25Å; F370-F379 HydrophobicContact CZ-CD2 4.45Å; F370-F379 HydrophobicContact CZ-CE2 4.12Å; F370-F379 VanDerWaalsContact O-CD2 3.23Å; F370-F379 WeakPolarHBondContact O-CD2 3.43Å; F370-F379 VanDerWaalsContact O-CE2 3.25Å; F370-F379 WeakPolarHBondContact O-CE2 3.45Å; C372-F379 HydrophobicContact CB-CE1 3.82Å; C372-F379 HydrophobicContact CB-CZ 4.11Å; F379-G381 PolarHBondContact O-N 3.07Å; F379-G382 PolarHBondContact O-N 3.31Å; F379-S383 WeakPolarHBondContact CB-O 3.22Å; F379-F384 HydrophobicContact CD1-CB 3.69Å; F379-F384 HydrophobicContact CD2-CB 4.04Å; F379-F384 HydrophobicContact CE1-CB 3.79Å; F379-F384 HydrophobicContact CE2-CB 4.09Å; F379-F384 HydrophobicContact CG-CB 3.84Å; F379-F384 HydrophobicContact CZ-CB 3.98Å; F379-P391 HydrophobicContact CE2-CB 3.84Å; F379-P391 HydrophobicContact CE2-CG 4.38Å; F379-P391 HydrophobicContact CZ-CB 3.64Å; F379-P391 HydrophobicContact CZ-CG 4.29Å; F379-L392 VanDerWaalsContact CE1-C 3.47Å; F379-C393 HydrophobicContact CD1-CB 4.47Å; F379-C393 HydrophobicContact CE1-CB 4.32Å
380S80.9Confident89.4Confident101 Ų10162.6 Ų62.671%0.70636%0.362SS*.G310 helixtrans-57119.7174.652.70000111.2P378 G382 S383P378-S380 PolarHBondContact O-N 3.2Å; S380-G382 PolarHBondContact O-N 3.12Å; S380-S383 PolarHBondContact O-OG 2.72Å
381G76.1Confident89.4Confident88 Ų8862.2 Ų62.291%0.90736%0.36SS*.G310 helixtrans72.98.3-178.200000115.1F379 S383F379-G381 PolarHBondContact O-N 3.07Å; G381-S383 VanDerWaalsContact C-N 3.26Å; G381-S383 PolarHBondContact O-N 3.47Å
382G77.1Confident89.3Confident23 Ų2361.5 Ų61.524%0.23736%0.356CS..G310 helixtrans71.814.7179.400000114.9V63 F379 S380V63-G382 PolarHBondContact N-O 3.24Å; V63-G382 VanDerWaalsContact N-O 3.11Å; F379-G382 PolarHBondContact O-N 3.31Å; S380-G382 PolarHBondContact O-N 3.12Å
383S86.7Confident89.3Confident29 Ų2963 Ų6320%0.20337%0.366CS..EExtended strand (participates in β ladder)trans-90.6130.517356.80000111.1F379 S380 G381F379-S383 WeakPolarHBondContact CB-O 3.22Å; S380-S383 PolarHBondContact O-OG 2.72Å; G381-S383 VanDerWaalsContact C-N 3.26Å; G381-S383 PolarHBondContact O-N 3.47Å
384F92.7Very high89.1Confident6 Ų663.7 Ų63.73%0.02637%0.373CS..EExtended strand (participates in β ladder)trans-143.5161.7177.467.4-82.3000110.1S61 V63 A360 L361 F370 F379 P391S61-F384 WeakPolarHBondContact O-CD1 3.36Å; S61-F384 WeakPolarHBondContact O-CE1 3.45Å; S61-F384 PolarHBondContact O-N 3.17Å; V63-F384 HydrophobicContact CG2-CD1 3.66Å; V63-F384 HydrophobicContact CG2-CE1 3.54Å; A360-F384 HydrophobicContact CB-CZ 4.12Å; L361-F384 HydrophobicContact CD2-CE2 3.73Å; L361-F384 HydrophobicContact CG-CE2 4.16Å; F370-F384 HydrophobicContact CE1-CB 4.48Å; F370-F384 AromaticContact CE1-CD1 3.72Å; F370-F384 HydrophobicContact CE1-CD1 3.72Å; F370-F384 HydrophobicContact CE1-CD2 4.46Å; F370-F384 HydrophobicContact CE1-CE1 4.02Å; F370-F384 AromaticContact CE1-CG 3.96Å; F370-F384 HydrophobicContact CE1-CG 3.96Å; F370-F384 AromaticContact CZ-CD1 3.83Å; F370-F384 HydrophobicContact CZ-CD1 3.83Å; F370-F384 AromaticContact CZ-CD2 3.86Å; F370-F384 HydrophobicContact CZ-CD2 3.86Å; F370-F384 AromaticContact CZ-CE1 3.88Å; F370-F384 HydrophobicContact CZ-CE1 3.88Å; F370-F384 AromaticContact CZ-CE2 3.91Å; F370-F384 HydrophobicContact CZ-CE2 3.91Å; F370-F384 AromaticContact CZ-CG 3.82Å; F370-F384 HydrophobicContact CZ-CG 3.82Å; F370-F384 AromaticContact CZ-CZ 3.91Å; F370-F384 HydrophobicContact CZ-CZ 3.91Å; F379-F384 HydrophobicContact CD1-CB 3.69Å; F379-F384 HydrophobicContact CD2-CB 4.04Å; F379-F384 HydrophobicContact CE1-CB 3.79Å; F379-F384 HydrophobicContact CE2-CB 4.09Å; F379-F384 HydrophobicContact CG-CB 3.84Å; F379-F384 HydrophobicContact CZ-CB 3.98Å; F384-P391 HydrophobicContact CD2-CB 4.25Å
385F91.5Very high89.1Confident17 Ų1762.1 Ų62.18%0.07537%0.368CS..EExtended strand (participates in β ladder)trans-116140174.5-68-95.4000109.5Y60 L392 E394 F397Y60-F385 HydrophobicContact CD2-CZ 4.47Å; F385-L392 PolarHBondContact N-O 2.96Å; F385-L392 PolarHBondContact O-N 3.44Å; F385-E394 HydrophobicContact CD2-CB 4.15Å; F385-E394 HydrophobicContact CD2-CG 4.49Å; F385-E394 HydrophobicContact CE2-CB 3.61Å; F385-E394 HydrophobicContact CE2-CG 3.65Å; F385-E394 HydrophobicContact CZ-CB 4.47Å; F385-E394 HydrophobicContact CZ-CG 4.02Å; F385-F397 HydrophobicContact CB-CB 3.67Å; F385-F397 HydrophobicContact CB-CD1 3.96Å; F385-F397 HydrophobicContact CB-CD2 3.6Å; F385-F397 HydrophobicContact CB-CE1 4.45Å; F385-F397 HydrophobicContact CB-CE2 4.13Å; F385-F397 HydrophobicContact CB-CG 3.48Å; F385-F397 VanDerWaalsContact CB-CG 3.48Å; F385-F397 AromaticContact CD1-CD1 3.54Å; F385-F397 HydrophobicContact CD1-CD1 3.54Å; F385-F397 HydrophobicContact CD1-CD2 4.49Å; F385-F397 AromaticContact CD1-CE1 3.57Å; F385-F397 HydrophobicContact CD1-CE1 3.57Å; F385-F397 HydrophobicContact CD1-CG 4.01Å; F385-F397 HydrophobicContact CD1-CZ 4.07Å; F385-F397 HydrophobicContact CD2-CB 4.45Å; F385-F397 HydrophobicContact CE1-CD1 4.18Å; F385-F397 HydrophobicContact CE1-CE1 4.17Å; F385-F397 HydrophobicContact CG-CB 4.02Å; F385-F397 AromaticContact CG-CD1 3.77Å; F385-F397 HydrophobicContact CG-CD1 3.77Å; F385-F397 HydrophobicContact CG-CD2 4.33Å; F385-F397 HydrophobicContact CG-CE1 4.23Å; F385-F397 AromaticContact CG-CG 3.8Å; F385-F397 HydrophobicContact CG-CG 3.8Å
386E91.5Very high89Confident86 Ų8662.2 Ų62.240%0.40236%0.362SS..EExtended strand (participates in β ladder)trans-88.3132.7172.6-174.6175.717200110.7L361 F397L361-E386 HydrophobicContact CD2-CB 3.72Å; L361-E386 VanDerWaalsContact CD2-CD 3.46Å; L361-E386 HydrophobicContact CD2-CG 3.56Å; L361-E386 VanDerWaalsContact CD2-OE2 3.3Å; L361-E386 WeakPolarHBondContact CD2-OE2 3.48Å; E386-F397 WeakPolarHBondContact O-CE2 3.5Å
387H88.6Confident89Confident61 Ų6157.1 Ų57.128%0.28234%0.335SS..EExtended strand (participates in β ladder)trans-138.7124.8162.7-163.666.2000109.1G389 R390 L392 F397 Q400H387-G389 VanDerWaalsContact C-N 3.27Å; H387-G389 PolarHBondContact O-N 3.3Å; H387-R390 PolarHBondContact N-O 3.31Å; H387-R390 WeakPolarHBondContact O-CA 3.36Å; H387-R390 VanDerWaalsContact O-CB 3.25Å; H387-R390 WeakPolarHBondContact O-CB 3.31Å; H387-R390 PolarHBondContact O-N 3.37Å; H387-L392 HydrophobicContact CB-CD1 3.63Å; H387-F397 HydrophobicContact CB-CD2 4.3Å; H387-Q400 PolarHBondContact CD2-OE1 3.17Å
388E86.2Confident88.9Confident157 Ų15755.7 Ų55.773%0.73432%0.321SS*.THydrogen-bonded Turntrans51.540.1179.5-55.1-174.2150.600114.3R390E388-R390 PolarHBondContact O-N 3.44Å
389G84.5Confident88.8Confident35 Ų3552.9 Ų52.936%0.36131%0.307SS..THydrogen-bonded Turntrans69.315-176.400000114.6H387H387-G389 VanDerWaalsContact C-N 3.27Å; H387-G389 PolarHBondContact O-N 3.3Å
390R89.5Confident88.7Confident150 Ų15055.8 Ų55.857%0.56632%0.321SS*.EExtended strand (participates in β ladder)trans-114.8138.8-179.8-62.4176.4-175.8-168.32.2111R373 H387 E388R373-R390 HydrophobicContact CG-CB 4.07Å; H387-R390 PolarHBondContact N-O 3.31Å; H387-R390 WeakPolarHBondContact O-CA 3.36Å; H387-R390 VanDerWaalsContact O-CB 3.25Å; H387-R390 WeakPolarHBondContact O-CB 3.31Å; H387-R390 PolarHBondContact O-N 3.37Å; E388-R390 PolarHBondContact O-N 3.44Å
391P93.5Very high88.9Confident0 Ų056.8 Ų56.80%031%0.309CS..EExtended strand (participates in β ladder)trans-84129.817734.3-33.8000110.7L361 W365 F370 C372 R373 F379 F384L361-P391 HydrophobicContact CD1-CB 3.84Å; L361-P391 HydrophobicContact CD1-CG 4.08Å; W365-P391 HydrophobicContact CH2-CG 4.35Å; F370-P391 HydrophobicContact CD2-CB 4.48Å; F370-P391 HydrophobicContact CD2-CG 4.24Å; F370-P391 HydrophobicContact CE2-CB 3.75Å; F370-P391 HydrophobicContact CE2-CG 3.89Å; F370-P391 HydrophobicContact CZ-CB 3.82Å; F370-P391 HydrophobicContact CZ-CG 4.44Å; C372-P391 WeakPolarHBondContact CA-O 3.46Å; R373-P391 HydrophobicContact CG-CG 4.41Å; R373-P391 PolarHBondContact N-O 3.15Å; F379-P391 HydrophobicContact CE2-CB 3.84Å; F379-P391 HydrophobicContact CE2-CG 4.38Å; F379-P391 HydrophobicContact CZ-CB 3.64Å; F379-P391 HydrophobicContact CZ-CG 4.29Å; F384-P391 HydrophobicContact CD2-CB 4.25Å
392L93.3Very high89.4Confident2 Ų255.1 Ų55.11%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-127.6150179.9-65.1179.3000111.1R373 E374 F379 F385 H387 H396 F397R373-L392 HydrophobicContact CB-CD2 4.18Å; E374-L392 HydrophobicContact CG-CD2 3.76Å; F379-L392 VanDerWaalsContact CE1-C 3.47Å; F385-L392 PolarHBondContact N-O 2.96Å; F385-L392 PolarHBondContact O-N 3.44Å; H387-L392 HydrophobicContact CB-CD1 3.63Å; L392-H396 HydrophobicContact CD2-CB 4.41Å; L392-F397 HydrophobicContact CB-CB 4.22Å; L392-F397 HydrophobicContact CD1-CB 4.47Å
393C93Very high90Very high31 Ų3154.4 Ų54.421%0.20928%0.283CS..  trans-77.8161168.874.70000109.8C372 F379 N395 H396 F397C372-C393 HydrophobicContact CB-CB 4.1Å; C372-C393 PolarHBondContact SG-N 3.42Å; F379-C393 HydrophobicContact CD1-CB 4.47Å; F379-C393 HydrophobicContact CE1-CB 4.32Å; C393-N395 VanDerWaalsContact C-N 3.3Å; C393-N395 PolarHBondContact O-N 3.23Å; C393-H396 PolarHBondContact O-N 3.32Å; C393-H396 PolarHBondContact SG-ND1 3.07Å; C393-F397 PolarHBondContact O-N 2.95Å
394E89.9Confident90.3Very high94 Ų9455.2 Ų55.244%0.43929%0.285SS..Hα-helixtrans-49.5-48.8-176.6-167176172.600112.8F385 H396 F397 H398 P411F385-E394 HydrophobicContact CD2-CB 4.15Å; F385-E394 HydrophobicContact CD2-CG 4.49Å; F385-E394 HydrophobicContact CE2-CB 3.61Å; F385-E394 HydrophobicContact CE2-CG 3.65Å; F385-E394 HydrophobicContact CZ-CB 4.47Å; F385-E394 HydrophobicContact CZ-CG 4.02Å; E394-H396 PolarHBondContact O-N 3.13Å; E394-F397 PolarHBondContact O-N 3.23Å; E394-H398 WeakPolarHBondContact O-CB 3.41Å; E394-H398 PolarHBondContact O-CD2 3.48Å; E394-H398 VanDerWaalsContact O-CD2 3.26Å; E394-H398 PolarHBondContact O-N 2.84Å; E394-P411 HydrophobicContact CG-CG 4.1Å
395N91Very high90.3Very high75 Ų7555 Ų5540%0.40128%0.284SS..Hα-helixtrans-60.4-44.2179.3-72.4-13.2000112.8C393 H398 A399 P411C393-N395 VanDerWaalsContact C-N 3.3Å; C393-N395 PolarHBondContact O-N 3.23Å; N395-H398 PolarHBondContact O-N 2.95Å; N395-A399 VanDerWaalsContact O-CB 3.31Å; N395-A399 WeakPolarHBondContact O-CB 3.42Å; N395-A399 PolarHBondContact O-N 3.26Å; N395-P411 WeakPolarHBondContact OD1-CD 3.27Å
396H93Very high90.3Very high59 Ų5956.4 Ų56.427%0.27330%0.299SS..Hα-helixtrans-74-37.1-178.7-72.6113.5000112.8C372 E374 C375 L392 C393 E394 H398 A399 Q400C372-H396 PolarHBondContact SG-ND1 2.98Å; E374-H396 HydrophobicContact CB-CB 4.12Å; E374-H396 HydrophobicContact CG-CB 4.01Å; C375-H396 VanDerWaalsContact CB-CE1 3.47Å; C375-H396 WeakPolarHBondContact CB-CE1 3.3Å; C375-H396 PolarHBondContact SG-CE1 2.84Å; L392-H396 HydrophobicContact CD2-CB 4.41Å; C393-H396 PolarHBondContact O-N 3.32Å; C393-H396 PolarHBondContact SG-ND1 3.07Å; E394-H396 PolarHBondContact O-N 3.13Å; H396-H398 VanDerWaalsContact C-N 3.34Å; H396-H398 PolarHBondContact O-N 3.49Å; H396-A399 WeakPolarHBondContact O-CB 3.47Å; H396-A399 PolarHBondContact O-N 3.48Å; H396-Q400 PolarHBondContact O-N 3.35Å
397F92.8Very high90.2Very high14 Ų1456.5 Ų56.56%0.06131%0.305CS..Hα-helixtrans-59.1-46.6171.2177.1-105.3000111.4F385 E386 H387 L392 C393 E394 A399 R401F385-F397 HydrophobicContact CB-CB 3.67Å; F385-F397 HydrophobicContact CB-CD1 3.96Å; F385-F397 HydrophobicContact CB-CD2 3.6Å; F385-F397 HydrophobicContact CB-CE1 4.45Å; F385-F397 HydrophobicContact CB-CE2 4.13Å; F385-F397 HydrophobicContact CB-CG 3.48Å; F385-F397 VanDerWaalsContact CB-CG 3.48Å; F385-F397 AromaticContact CD1-CD1 3.54Å; F385-F397 HydrophobicContact CD1-CD1 3.54Å; F385-F397 HydrophobicContact CD1-CD2 4.49Å; F385-F397 AromaticContact CD1-CE1 3.57Å; F385-F397 HydrophobicContact CD1-CE1 3.57Å; F385-F397 HydrophobicContact CD1-CG 4.01Å; F385-F397 HydrophobicContact CD1-CZ 4.07Å; F385-F397 HydrophobicContact CD2-CB 4.45Å; F385-F397 HydrophobicContact CE1-CD1 4.18Å; F385-F397 HydrophobicContact CE1-CE1 4.17Å; F385-F397 HydrophobicContact CG-CB 4.02Å; F385-F397 AromaticContact CG-CD1 3.77Å; F385-F397 HydrophobicContact CG-CD1 3.77Å; F385-F397 HydrophobicContact CG-CD2 4.33Å; F385-F397 HydrophobicContact CG-CE1 4.23Å; F385-F397 AromaticContact CG-CG 3.8Å; F385-F397 HydrophobicContact CG-CG 3.8Å; E386-F397 WeakPolarHBondContact O-CE2 3.5Å; H387-F397 HydrophobicContact CB-CD2 4.3Å; L392-F397 HydrophobicContact CB-CB 4.22Å; L392-F397 HydrophobicContact CD1-CB 4.47Å; C393-F397 PolarHBondContact O-N 2.95Å; E394-F397 PolarHBondContact O-N 3.23Å; F397-A399 VanDerWaalsContact C-N 3.34Å; F397-A399 PolarHBondContact O-N 3.35Å; F397-R401 VanDerWaalsContact CZ-NH1 3.3Å; F397-R401 WeakPolarHBondContact O-CB 3.36Å; F397-R401 WeakPolarHBondContact O-CG 3.38Å; F397-R401 PolarHBondContact O-N 2.84Å; F397-R401 VanDerWaalsContact O-N 3.13Å
398H91.3Very high90.4Very high13 Ų1356.1 Ų56.16%0.0631%0.309CS..Hα-helixtrans-71.2-26.9177.1-80.9-81.7000113.3E394 N395 H396 G402 S403 L404 P411E394-H398 WeakPolarHBondContact O-CB 3.41Å; E394-H398 PolarHBondContact O-CD2 3.48Å; E394-H398 VanDerWaalsContact O-CD2 3.26Å; E394-H398 PolarHBondContact O-N 2.84Å; N395-H398 PolarHBondContact O-N 2.95Å; H396-H398 VanDerWaalsContact C-N 3.34Å; H396-H398 PolarHBondContact O-N 3.49Å; H398-G402 PolarHBondContact O-N 3.49Å; H398-S403 VanDerWaalsContact CA-OG 3.27Å; H398-S403 WeakPolarHBondContact CA-OG 3.4Å; H398-S403 WeakPolarHBondContact CB-OG 3.37Å; H398-S403 PolarHBondContact ND1-OG 3.3Å; H398-S403 PolarHBondContact O-N 3.09Å; H398-S403 PolarHBondContact O-OG 2.82Å; H398-L404 HydrophobicContact CB-CD2 3.51Å; H398-L404 HydrophobicContact CB-CG 4.29Å; H398-P411 HydrophobicContact CB-CB 4.01Å; H398-P411 HydrophobicContact CB-CG 3.96Å
399A90.8Very high90.6Very high46 Ų4650.5 Ų50.538%0.3829%0.293SS..Hα-helixtrans-64.5-54.7171.900000111.6N395 H396 F397 R401 G402 L404N395-A399 VanDerWaalsContact O-CB 3.31Å; N395-A399 WeakPolarHBondContact O-CB 3.42Å; N395-A399 PolarHBondContact O-N 3.26Å; H396-A399 WeakPolarHBondContact O-CB 3.47Å; H396-A399 PolarHBondContact O-N 3.48Å; F397-A399 VanDerWaalsContact C-N 3.34Å; F397-A399 PolarHBondContact O-N 3.35Å; A399-R401 VanDerWaalsContact C-N 3.26Å; A399-R401 PolarHBondContact O-N 3.42Å; A399-G402 PolarHBondContact O-N 3.2Å; A399-L404 HydrophobicContact CB-CD1 3.65Å; A399-L404 HydrophobicContact CB-CG 4.32Å
400Q87.9Confident90.9Very high85 Ų8553.4 Ų53.440%0.39730%0.3SS..Hα-helixtrans-59.8-36.8178.5-72-177.4-14.900111.8E374 H387 H396 G402E374-Q400 PolarHBondContact OE1-NE2 3.24Å; H387-Q400 PolarHBondContact CD2-OE1 3.17Å; H396-Q400 PolarHBondContact O-N 3.35Å; Q400-G402 PolarHBondContact O-N 3.39Å
401R86.5Confident91Very high122 Ų12246.9 Ų46.946%0.4628%0.277SS..THydrogen-bonded Turntrans-77.84.7174.4-65.2-174.972.2175.73.9114.9F397 A399 S403F397-R401 VanDerWaalsContact CZ-NH1 3.3Å; F397-R401 WeakPolarHBondContact O-CB 3.36Å; F397-R401 WeakPolarHBondContact O-CG 3.38Å; F397-R401 PolarHBondContact O-N 2.84Å; F397-R401 VanDerWaalsContact O-N 3.13Å; A399-R401 VanDerWaalsContact C-N 3.26Å; A399-R401 PolarHBondContact O-N 3.42Å; R401-S403 VanDerWaalsContact C-N 3.3Å; R401-S403 PolarHBondContact O-N 3.46Å
402G85.9Confident90.8Very high53 Ų5347.2 Ų47.255%0.54628%0.279SS..THydrogen-bonded Turntrans61.234.6178.300000114H398 A399 Q400 R423H398-G402 PolarHBondContact O-N 3.49Å; A399-G402 PolarHBondContact O-N 3.2Å; Q400-G402 PolarHBondContact O-N 3.39Å; G402-R423 WeakPolarHBondContact O-CD 3.44Å
403S89.5Confident90.4Very high7 Ų751.9 Ų51.95%0.04931%0.308CS..  trans-119.57.1-168.260.60000115.3H398 R401 V412H398-S403 VanDerWaalsContact CA-OG 3.27Å; H398-S403 WeakPolarHBondContact CA-OG 3.4Å; H398-S403 WeakPolarHBondContact CB-OG 3.37Å; H398-S403 PolarHBondContact ND1-OG 3.3Å; H398-S403 PolarHBondContact O-N 3.09Å; H398-S403 PolarHBondContact O-OG 2.82Å; R401-S403 VanDerWaalsContact C-N 3.3Å; R401-S403 PolarHBondContact O-N 3.46Å; S403-V412 PolarHBondContact O-N 3.29Å
404L93.1Very high90.1Very high47 Ų4753.9 Ų53.925%0.24633%0.333CS..BIsolated β-bridgetrans-75.6149.5170.1-58.5-178.5000111.8H398 A399 A406 G409 P411H398-L404 HydrophobicContact CB-CD2 3.51Å; H398-L404 HydrophobicContact CB-CG 4.29Å; A399-L404 HydrophobicContact CB-CD1 3.65Å; A399-L404 HydrophobicContact CB-CG 4.32Å; L404-A406 PolarHBondContact O-N 3.46Å; L404-G409 WeakPolarHBondContact CD2-O 3.27Å; L404-P411 HydrophobicContact CD2-CB 4.39Å; L404-P411 HydrophobicContact CD2-CG 3.92Å
405C93.8Very high90Very high1 Ų159.5 Ų59.51%0.00735%0.35CS..BIsolated β-bridgetrans-73.4123.8172.5177.60000110.3T407 C408 G409 L410 V412 R423 H428C405-T407 PolarHBondContact O-N 2.8Å; C405-T407 VanDerWaalsContact O-N 3.09Å; C405-T407 PolarHBondContact SG-N 2.91Å; C405-C408 VanDerWaalsContact CB-SG 3.54Å; C405-C408 PolarHBondContact O-N 2.85Å; C405-G409 WeakPolarHBondContact O-CA 3.33Å; C405-G409 PolarHBondContact O-N 3.23Å; C405-L410 WeakPolarHBondContact CB-O 3.33Å; C405-L410 PolarHBondContact N-O 3.3Å; C405-V412 HydrophobicContact CB-CG2 3.62Å; C405-R423 CarbonylContact C-O 3.56Å; C405-R423 WeakPolarHBondContact CA-O 3.36Å; C405-H428 PolarHBondContact SG-ND1 2.91Å
406A90.6Very high90Very high47 Ų4758.1 Ų58.139%0.38835%0.346SS..THydrogen-bonded Turntrans-65.8-12179.500000115.2L404 R422 R423 F424L404-A406 PolarHBondContact O-N 3.46Å; A406-R422 HydrophobicContact CB-CB 3.94Å; A406-R422 HydrophobicContact CB-CG 4.32Å; A406-R423 PolarHBondContact N-O 2.8Å; A406-F424 HydrophobicContact CB-CD1 4.28Å; A406-F424 HydrophobicContact CB-CE1 3.73Å; A406-F424 HydrophobicContact CB-CZ 3.93Å
407T89.8Confident89.9Confident88 Ų8856.8 Ų56.854%0.5434%0.342SS..THydrogen-bonded Turntrans-92.6-40.4177.5-50.10000113C405 F424 H428C405-T407 PolarHBondContact O-N 2.8Å; C405-T407 VanDerWaalsContact O-N 3.09Å; C405-T407 PolarHBondContact SG-N 2.91Å; T407-F424 WeakPolarHBondContact OG1-CD1 3.34Å; T407-H428 HydrophobicContact CG2-CB 4.29Å; T407-H428 PolarHBondContact OG1-O 3.5Å
408C92.9Very high89.8Confident52 Ų5260.3 Ų60.335%0.35137%0.369SS..THydrogen-bonded Turntrans-117-6.4-174.867.60000115.1C405 L410 H428C405-C408 VanDerWaalsContact CB-SG 3.54Å; C405-C408 PolarHBondContact O-N 2.85Å; C408-L410 PolarHBondContact O-N 2.84Å; C408-L410 VanDerWaalsContact O-N 3.17Å; C408-H428 PolarHBondContact SG-CE1 3.3Å; C408-H428 PolarHBondContact SG-ND1 3.31Å; C408-H428 VanDerWaalsContact SG-ND1 3.39Å
409G90.8Very high89.7Confident39 Ų3960.2 Ų60.240%0.40237%0.37SS..  trans72.8-4.3-177.700000115.6L404 C405L404-G409 WeakPolarHBondContact CD2-O 3.27Å; C405-G409 WeakPolarHBondContact O-CA 3.33Å; C405-G409 PolarHBondContact O-N 3.23Å
410L90.5Very high89.6Confident97 Ų9759.8 Ų59.851%0.50836%0.361SS..SBendtrans-84.3152.6-179.8-59.9176.9000112.6C405 C408 V412C405-L410 WeakPolarHBondContact CB-O 3.33Å; C405-L410 PolarHBondContact N-O 3.3Å; C408-L410 PolarHBondContact O-N 2.84Å; C408-L410 VanDerWaalsContact O-N 3.17Å; L410-V412 PolarHBondContact O-N 3.31Å
411P90.6Very high89.5Confident13 Ų1360 Ų608%0.08439%0.386CS..BIsolated β-bridgetrans-53.8129.9173.6-27.235.2000113.6E394 N395 H398 L404 T413 H425E394-P411 HydrophobicContact CG-CG 4.1Å; N395-P411 WeakPolarHBondContact OD1-CD 3.27Å; H398-P411 HydrophobicContact CB-CB 4.01Å; H398-P411 HydrophobicContact CB-CG 3.96Å; L404-P411 HydrophobicContact CD2-CB 4.39Å; L404-P411 HydrophobicContact CD2-CG 3.92Å; P411-T413 PolarHBondContact O-N 3.26Å; P411-H425 PolarHBondContact O-NE2 3.28Å
412V89.8Confident89.7Confident7 Ų762 Ų624%0.04239%0.393CS..  trans-86.196173.1-171.60000110S403 C405 L410 C416S403-V412 PolarHBondContact O-N 3.29Å; C405-V412 HydrophobicContact CB-CG2 3.62Å; L410-V412 PolarHBondContact O-N 3.31Å; V412-C416 HydrophobicContact CB-CB 4.28Å; V412-C416 HydrophobicContact CG1-CB 3.38Å
413T84.7Confident90Very high100 Ų10063.1 Ų63.161%0.61338%0.381SS*.  trans-85.9135.1174.855.80000111P411 R415P411-T413 PolarHBondContact O-N 3.26Å; T413-R415 PolarHBondContact O-N 3.27Å
414G86.6Confident90.1Very high72 Ų7263.5 Ų63.574%0.74238%0.382SS*.SBendtrans71.9-123.6-179.900000114.3C416G414-C416 PolarHBondContact O-N 2.97Å
415R88.8Confident90.1Very high212 Ų21263 Ų6380%0.838%0.379SS*.SBendtrans-70.9120.8-174.9-71.7-174.8-69.4164.9-1110.6T413 P426T413-R415 PolarHBondContact O-N 3.27Å; R415-P426 HydrophobicContact CB-CG 4.12Å; R415-P426 VanDerWaalsContact O-CD 3.28Å; R415-P426 WeakPolarHBondContact O-CD 3.24Å; R415-P426 WeakPolarHBondContact O-CG 3.43Å
416C90.7Very high90Very high47 Ų4764.2 Ų64.232%0.31839%0.387SS..  trans-119.2151.8173.667.80000112V412 G414 R423 F424V412-C416 HydrophobicContact CB-CB 4.28Å; V412-C416 HydrophobicContact CG1-CB 3.38Å; G414-C416 PolarHBondContact O-N 2.97Å; C416-R423 PolarHBondContact SG-NH2 3.14Å; C416-F424 WeakPolarHBondContact CA-O 3.45Å
417V91.2Very high90Very high30 Ų3067.8 Ų67.818%0.18240%0.399CS..EExtended strand (participates in β ladder)trans-98124.4162.8-175.60000108.3A419 R423 F424 F429 T439V417-A419 HydrophobicContact CG1-CB 4.29Å; V417-R423 CarbonylContact O-C 3.53Å; V417-R423 WeakPolarHBondContact O-CA 3.41Å; V417-F424 HydrophobicContact CB-CB 4.38Å; V417-F424 PolarHBondContact N-O 2.98Å; V417-F424 PolarHBondContact O-N 3.4Å; V417-F429 HydrophobicContact CB-CB 4.03Å; V417-F429 HydrophobicContact CB-CD1 4.45Å; V417-F429 HydrophobicContact CB-CG 4.24Å; V417-F429 HydrophobicContact CG1-CB 4.1Å; V417-F429 HydrophobicContact CG1-CD1 3.62Å; V417-F429 HydrophobicContact CG1-CD2 4.37Å; V417-F429 HydrophobicContact CG1-CE1 4.13Å; V417-F429 HydrophobicContact CG1-CG 3.76Å; V417-F429 HydrophobicContact CG2-CB 4.12Å; V417-T439 HydrophobicContact CG2-CG2 3.71Å
418S90.6Very high90.2Very high89 Ų8966.6 Ų66.662%0.62239%0.387SS*.EExtended strand (participates in β ladder)trans-102.7111172.8-62.30000108.7R422S418-R422 WeakPolarHBondContact CA-O 3.49Å
419A88.9Confident90.3Very high10 Ų1064.2 Ų64.28%0.08337%0.371CS..EExtended strand (participates in β ladder)trans-152.2155.3-176.700000109.7V417 G421 R422 F424 F429 F443V417-A419 HydrophobicContact CG1-CB 4.29Å; A419-G421 PolarHBondContact O-N 2.82Å; A419-G421 VanDerWaalsContact O-N 3.09Å; A419-R422 PolarHBondContact N-O 3Å; A419-R422 CarbonylContact O-C 3.59Å; A419-R422 PolarHBondContact O-N 2.86Å; A419-F424 WeakPolarHBondContact O-CE2 3.39Å; A419-F429 HydrophobicContact CB-CD2 4.16Å; A419-F429 HydrophobicContact CB-CE1 4.28Å; A419-F429 HydrophobicContact CB-CE2 3.44Å; A419-F429 VanDerWaalsContact CB-CE2 3.44Å; A419-F429 HydrophobicContact CB-CZ 3.51Å; A419-F443 HydrophobicContact CB-CE1 4.26Å; A419-F443 HydrophobicContact CB-CZ 3.85Å
420L87.7Confident90.4Very high38 Ų3864.2 Ų64.220%0.19936%0.363CS..THydrogen-bonded Turntrans56.828176.2-41172.5000113.5R422 F424 F429 F443 E445 P450L420-R422 PolarHBondContact O-N 3.28Å; L420-F424 HydrophobicContact CD1-CZ 4.32Å; L420-F429 HydrophobicContact CD1-CE2 4.29Å; L420-F429 HydrophobicContact CG-CE2 4.5Å; L420-F443 HydrophobicContact CD2-CE2 4.06Å; L420-E445 HydrophobicContact CD2-CB 3.92Å; L420-E445 HydrophobicContact CD2-CG 3.6Å; L420-E445 VanDerWaalsContact CD2-OE2 3.24Å; L420-E445 WeakPolarHBondContact CD2-OE2 3.47Å; L420-P450 HydrophobicContact CD1-CB 4.24Å; L420-P450 HydrophobicContact CD1-CG 4.1Å
421G86.4Confident90.6Very high90 Ų9059.6 Ų59.693%0.92834%0.339SS*.THydrogen-bonded Turntrans67.313.1-172.500000115.2A419A419-G421 PolarHBondContact O-N 2.82Å; A419-G421 VanDerWaalsContact O-N 3.09Å
422R90.3Very high90.8Very high162 Ų16261.7 Ų61.761%0.61135%0.352SS*.EExtended strand (participates in β ladder)trans-131.2165.8-174.1-64.6179.6-175.9-131-2.5111.4A406 S418 A419 L420 F424A406-R422 HydrophobicContact CB-CB 3.94Å; A406-R422 HydrophobicContact CB-CG 4.32Å; S418-R422 WeakPolarHBondContact CA-O 3.49Å; A419-R422 PolarHBondContact N-O 3Å; A419-R422 CarbonylContact O-C 3.59Å; A419-R422 PolarHBondContact O-N 2.86Å; L420-R422 PolarHBondContact O-N 3.28Å; R422-F424 HydrophobicContact CB-CE2 3.81Å; R422-F424 HydrophobicContact CB-CZ 4.08Å
423R91.7Very high90.9Very high77 Ų7767.5 Ų67.529%0.29138%0.377SS..EExtended strand (participates in β ladder)trans-109.1146.1176.2-64.6-179.672-170.3-2.6110.9G402 C405 A406 C416 V417G402-R423 WeakPolarHBondContact O-CD 3.44Å; C405-R423 CarbonylContact C-O 3.56Å; C405-R423 WeakPolarHBondContact CA-O 3.36Å; A406-R423 PolarHBondContact N-O 2.8Å; C416-R423 PolarHBondContact SG-NH2 3.14Å; V417-R423 CarbonylContact O-C 3.53Å; V417-R423 WeakPolarHBondContact O-CA 3.41Å
424F92.6Very high91.4Very high16 Ų1664.8 Ų64.87%0.0736%0.361CS..EExtended strand (participates in β ladder)trans-139.7150.4-177.6-59.4-92.8000110.8A406 T407 C416 V417 A419 L420 R422 F429A406-F424 HydrophobicContact CB-CD1 4.28Å; A406-F424 HydrophobicContact CB-CE1 3.73Å; A406-F424 HydrophobicContact CB-CZ 3.93Å; T407-F424 WeakPolarHBondContact OG1-CD1 3.34Å; C416-F424 WeakPolarHBondContact CA-O 3.45Å; V417-F424 HydrophobicContact CB-CB 4.38Å; V417-F424 PolarHBondContact N-O 2.98Å; V417-F424 PolarHBondContact O-N 3.4Å; A419-F424 WeakPolarHBondContact O-CE2 3.39Å; L420-F424 HydrophobicContact CD1-CZ 4.32Å; R422-F424 HydrophobicContact CB-CE2 3.81Å; R422-F424 HydrophobicContact CB-CZ 4.08Å; F424-F429 HydrophobicContact CB-CB 3.92Å; F424-F429 HydrophobicContact CD1-CD2 4.44Å; F424-F429 AromaticContact CD2-CD2 3.79Å; F424-F429 HydrophobicContact CD2-CD2 3.79Å; F424-F429 HydrophobicContact CD2-CE2 4.46Å; F424-F429 HydrophobicContact CE2-CD2 4.02Å; F424-F429 HydrophobicContact CE2-CE2 4.34Å; F424-F429 HydrophobicContact CG-CB 4.25Å; F424-F429 HydrophobicContact CG-CD2 4.02Å; F424-F429 HydrophobicContact CZ-CD2 4.45Å
425H93.1Very high91.7Very high36 Ų3667.2 Ų67.217%0.16736%0.357CS..  trans-62.7149.9158.7-64.5116.3000109.7P411 D427 H428 F429P411-H425 PolarHBondContact O-NE2 3.28Å; H425-D427 PolarHBondContact O-N 2.85Å; H425-H428 HydrophobicContact CB-CB 3.99Å; H425-H428 AromaticContact CG-ND1 3.99Å; H425-H428 AromaticContact ND1-CE1 3.57Å; H425-H428 AromaticContact ND1-ND1 3.29Å; H425-H428 PolarHBondContact ND1-ND1 3.42Å; H425-H428 PolarHBondContact O-N 3.09Å; H425-F429 PolarHBondContact O-N 2.83Å; H425-F429 VanDerWaalsContact O-N 3.16Å
426P91.2Very high91.8Very high27 Ų2765.7 Ų65.718%0.17535%0.351CS..THydrogen-bonded Turntrans-52.6-39177.6-27.737.2000113R415 H428 T439R415-P426 HydrophobicContact CB-CG 4.12Å; R415-P426 VanDerWaalsContact O-CD 3.28Å; R415-P426 WeakPolarHBondContact O-CD 3.24Å; R415-P426 WeakPolarHBondContact O-CG 3.43Å; P426-H428 VanDerWaalsContact C-N 3.35Å; P426-T439 HydrophobicContact CB-CG2 3.91Å; P426-T439 WeakPolarHBondContact O-CG2 3.24Å
427D91.5Very high91.9Very high121 Ų12166.7 Ų66.765%0.64736%0.356SS*.THydrogen-bonded Turntrans-84.6-9.7-178.9-49.2-58000113.2H425 T430H425-D427 PolarHBondContact O-N 2.85Å; D427-T430 VanDerWaalsContact O-CG2 3.26Å; D427-T430 WeakPolarHBondContact O-CG2 3.38Å
428H93.4Very high91.9Very high64 Ų6466 Ų6630%0.29635%0.351SS..THydrogen-bonded Turntrans-98.1-12.2177-69.6-177.3000113.4C405 T407 C408 H425 P426 T430C405-H428 PolarHBondContact SG-ND1 2.91Å; T407-H428 HydrophobicContact CG2-CB 4.29Å; T407-H428 PolarHBondContact OG1-O 3.5Å; C408-H428 PolarHBondContact SG-CE1 3.3Å; C408-H428 PolarHBondContact SG-ND1 3.31Å; C408-H428 VanDerWaalsContact SG-ND1 3.39Å; H425-H428 HydrophobicContact CB-CB 3.99Å; H425-H428 AromaticContact CG-ND1 3.99Å; H425-H428 AromaticContact ND1-CE1 3.57Å; H425-H428 AromaticContact ND1-ND1 3.29Å; H425-H428 PolarHBondContact ND1-ND1 3.42Å; H425-H428 PolarHBondContact O-N 3.09Å; P426-H428 VanDerWaalsContact C-N 3.35Å; H428-T430 PolarHBondContact O-N 3.24Å
429F94.1Very high91.6Very high2 Ų264.9 Ų64.91%0.00934%0.341CS..SBendtrans-88.478.5171-169.1-112.3000110V417 A419 L420 F424 H425 L438 F443 P450V417-F429 HydrophobicContact CB-CB 4.03Å; V417-F429 HydrophobicContact CB-CD1 4.45Å; V417-F429 HydrophobicContact CB-CG 4.24Å; V417-F429 HydrophobicContact CG1-CB 4.1Å; V417-F429 HydrophobicContact CG1-CD1 3.62Å; V417-F429 HydrophobicContact CG1-CD2 4.37Å; V417-F429 HydrophobicContact CG1-CE1 4.13Å; V417-F429 HydrophobicContact CG1-CG 3.76Å; V417-F429 HydrophobicContact CG2-CB 4.12Å; A419-F429 HydrophobicContact CB-CD2 4.16Å; A419-F429 HydrophobicContact CB-CE1 4.28Å; A419-F429 HydrophobicContact CB-CE2 3.44Å; A419-F429 VanDerWaalsContact CB-CE2 3.44Å; A419-F429 HydrophobicContact CB-CZ 3.51Å; L420-F429 HydrophobicContact CD1-CE2 4.29Å; L420-F429 HydrophobicContact CG-CE2 4.5Å; F424-F429 HydrophobicContact CB-CB 3.92Å; F424-F429 HydrophobicContact CD1-CD2 4.44Å; F424-F429 AromaticContact CD2-CD2 3.79Å; F424-F429 HydrophobicContact CD2-CD2 3.79Å; F424-F429 HydrophobicContact CD2-CE2 4.46Å; F424-F429 HydrophobicContact CE2-CD2 4.02Å; F424-F429 HydrophobicContact CE2-CE2 4.34Å; F424-F429 HydrophobicContact CG-CB 4.25Å; F424-F429 HydrophobicContact CG-CD2 4.02Å; F424-F429 HydrophobicContact CZ-CD2 4.45Å; H425-F429 PolarHBondContact O-N 2.83Å; H425-F429 VanDerWaalsContact O-N 3.16Å; F429-L438 HydrophobicContact CD1-CB 3.55Å; F429-L438 HydrophobicContact CE1-CB 3.49Å; F429-L438 VanDerWaalsContact CE1-CB 3.49Å; F429-L438 HydrophobicContact CE1-CD1 4.19Å; F429-L438 HydrophobicContact CZ-CB 4.47Å; F429-L438 HydrophobicContact CZ-CD1 4.41Å; F429-L438 PolarHBondContact O-N 3Å; F429-F443 AromaticContact CE1-CD1 3.68Å; F429-F443 HydrophobicContact CE1-CD1 3.68Å; F429-F443 AromaticContact CE1-CE1 3.91Å; F429-F443 HydrophobicContact CE1-CE1 3.91Å; F429-F443 HydrophobicContact CE1-CG 4.05Å; F429-F443 HydrophobicContact CE1-CZ 4.46Å; F429-F443 AromaticContact CZ-CD1 3.76Å; F429-F443 HydrophobicContact CZ-CD1 3.76Å; F429-F443 AromaticContact CZ-CD2 3.93Å; F429-F443 HydrophobicContact CZ-CD2 3.93Å; F429-F443 AromaticContact CZ-CE1 3.73Å; F429-F443 HydrophobicContact CZ-CE1 3.73Å; F429-F443 AromaticContact CZ-CE2 3.91Å; F429-F443 HydrophobicContact CZ-CE2 3.91Å; F429-F443 AromaticContact CZ-CG 3.87Å; F429-F443 HydrophobicContact CZ-CG 3.87Å; F429-F443 AromaticContact CZ-CZ 3.82Å; F429-F443 HydrophobicContact CZ-CZ 3.82Å; F429-P450 HydrophobicContact CD2-CG 4.43Å; F429-P450 HydrophobicContact CE2-CB 3.78Å; F429-P450 HydrophobicContact CE2-CG 3.87Å; F429-P450 HydrophobicContact CZ-CB 3.8Å; F429-P450 HydrophobicContact CZ-CG 4.36Å
430T94.5Very high91.1Very high38 Ų3873.8 Ų73.823%0.23338%0.378CS..BIsolated β-bridgetrans-112.8157-174.756.20000112.1D427 H428 T432 L435 R436 P437D427-T430 VanDerWaalsContact O-CG2 3.26Å; D427-T430 WeakPolarHBondContact O-CG2 3.38Å; H428-T430 PolarHBondContact O-N 3.24Å; T430-T432 PolarHBondContact O-N 2.95Å; T430-L435 WeakPolarHBondContact CB-O 3.3Å; T430-L435 VanDerWaalsContact CG2-O 3.3Å; T430-L435 WeakPolarHBondContact CG2-O 3.36Å; T430-R436 CarbonylContact C-O 3.59Å; T430-R436 WeakPolarHBondContact CA-O 3.26Å; T430-P437 HydrophobicContact CG2-CG 4.46Å
431C94.1Very high90.6Very high0 Ų075 Ų750%040%0.4CS..  trans-65.9126173.51750000111F433 C434 L435 R436 L438 C452 C455C431-F433 PolarHBondContact O-N 3.16Å; C431-F433 PolarHBondContact SG-N 3.46Å; C431-C434 VanDerWaalsContact CB-SG 3.51Å; C431-C434 PolarHBondContact O-N 3.46Å; C431-C434 VanDerWaalsContact SG-SG 3.61Å; C431-L435 VanDerWaalsContact O-CA 3.24Å; C431-L435 WeakPolarHBondContact O-CA 3.16Å; C431-L435 PolarHBondContact O-N 3.38Å; C431-R436 PolarHBondContact N-O 2.88Å; C431-L438 HydrophobicContact CB-CD1 4.16Å; C431-L438 HydrophobicContact CB-CD2 4.12Å; C431-L438 HydrophobicContact CB-CG 4.19Å; C431-C452 HydrophobicContact CB-CB 4.07Å; C431-C452 PolarHBondContact SG-N 3.31Å; C431-C455 PolarHBondContact SG-SG 2.86Å
432T93.8Very high90.6Very high58 Ų5874.9 Ų74.936%0.35639%0.385SS..THydrogen-bonded Turntrans-55.2-25.6179.9-49.20000113.9T430 K449 P450 Y451T430-T432 PolarHBondContact O-N 2.95Å; T432-K449 HydrophobicContact CG2-CB 4.36Å; T432-K449 HydrophobicContact CG2-CD 4.26Å; T432-K449 HydrophobicContact CG2-CG 4.35Å; T432-P450 PolarHBondContact N-O 2.9Å; T432-P450 WeakPolarHBondContact OG1-CD 3.25Å; T432-P450 PolarHBondContact OG1-O 3.18Å; T432-Y451 HydrophobicContact CG2-CE1 4.47Å
433F93.3Very high90.7Very high129 Ų12970.4 Ų70.457%0.56637%0.37SS*.THydrogen-bonded Turntrans-97.5-45.7-179-176.4-104.7000114.3C431 Y451 C455 L459C431-F433 PolarHBondContact O-N 3.16Å; C431-F433 PolarHBondContact SG-N 3.46Å; F433-Y451 HydrophobicContact CB-CD1 4.44Å; F433-C455 HydrophobicContact CB-CB 4.39Å; F433-C455 HydrophobicContact CD1-CB 4.41Å; F433-L459 HydrophobicContact CB-CD1 3.91Å; F433-L459 HydrophobicContact CD1-CD1 4.48Å; F433-L459 HydrophobicContact CD2-CD1 3.87Å; F433-L459 HydrophobicContact CD2-CD2 4.21Å; F433-L459 HydrophobicContact CE2-CD2 4.1Å; F433-L459 HydrophobicContact CG-CD1 3.83Å
434C94.6Very high90.7Very high43 Ų4370.1 Ų70.129%0.29137%0.372SS..THydrogen-bonded Turntrans-109.41.4-17374.80000114.5C431 R436 C455C431-C434 VanDerWaalsContact CB-SG 3.51Å; C431-C434 PolarHBondContact O-N 3.46Å; C431-C434 VanDerWaalsContact SG-SG 3.61Å; C434-R436 PolarHBondContact O-N 2.84Å; C434-C455 PolarHBondContact SG-SG 2.93Å
435L92.8Very high90.6Very high123 Ų12374.3 Ų74.364%0.64439%0.392SS*.  trans55.26.6179.8-53.8179.4000116.2T430 C431T430-L435 WeakPolarHBondContact CB-O 3.3Å; T430-L435 VanDerWaalsContact CG2-O 3.3Å; T430-L435 WeakPolarHBondContact CG2-O 3.36Å; C431-L435 VanDerWaalsContact O-CA 3.24Å; C431-L435 WeakPolarHBondContact O-CA 3.16Å; C431-L435 PolarHBondContact O-N 3.38Å
436R91.9Very high90.5Very high180 Ų18078.6 Ų78.668%0.67941%0.407SS*.  trans-66.9137.4174.3-64.4-179-173.8176.40.2110.5T430 C431 C434 L438T430-R436 CarbonylContact C-O 3.59Å; T430-R436 WeakPolarHBondContact CA-O 3.26Å; C431-R436 PolarHBondContact N-O 2.88Å; C434-R436 PolarHBondContact O-N 2.84Å; R436-L438 PolarHBondContact O-N 3.37Å
437P91.8Very high90.4Very high67 Ų6781.2 Ų81.244%0.43543%0.431SS..BIsolated β-bridgetrans-55.7133.2171.3-26.335000111.8T430 T439T430-P437 HydrophobicContact CG2-CG 4.46Å; P437-T439 VanDerWaalsContact C-N 3.32Å
438L91.4Very high90.2Very high15 Ų1579.9 Ų79.98%0.07943%0.431CS..  trans-96.717.6179.3-67.1172.9000112.2F429 C431 R436 K440 F443 P450 C452F429-L438 HydrophobicContact CD1-CB 3.55Å; F429-L438 HydrophobicContact CE1-CB 3.49Å; F429-L438 VanDerWaalsContact CE1-CB 3.49Å; F429-L438 HydrophobicContact CE1-CD1 4.19Å; F429-L438 HydrophobicContact CZ-CB 4.47Å; F429-L438 HydrophobicContact CZ-CD1 4.41Å; F429-L438 PolarHBondContact O-N 3Å; C431-L438 HydrophobicContact CB-CD1 4.16Å; C431-L438 HydrophobicContact CB-CD2 4.12Å; C431-L438 HydrophobicContact CB-CG 4.19Å; R436-L438 PolarHBondContact O-N 3.37Å; L438-K440 VanDerWaalsContact C-N 3.25Å; L438-K440 PolarHBondContact O-N 2.82Å; L438-F443 HydrophobicContact CB-CB 4.35Å; L438-F443 HydrophobicContact CD1-CB 3.88Å; L438-F443 HydrophobicContact CD2-CB 4.21Å; L438-F443 HydrophobicContact CG-CB 4.39Å; L438-P450 HydrophobicContact CD1-CB 3.71Å; L438-P450 HydrophobicContact CD1-CG 4.25Å; L438-C452 HydrophobicContact CD2-CB 3.79Å
439T85Confident90.1Very high67 Ų6781.8 Ų81.841%0.41144%0.438SS..SBendtrans-71.4-15.5177.347.90000114.1V417 P426 P437V417-T439 HydrophobicContact CG2-CG2 3.71Å; P426-T439 HydrophobicContact CB-CG2 3.91Å; P426-T439 WeakPolarHBondContact O-CG2 3.24Å; P437-T439 VanDerWaalsContact C-N 3.32Å
440K78.2Confident90Very high196 Ų19682.5 Ų82.585%0.85244%0.443SS*.SBendtrans-124.794.9-178.8-65.1-177.3-178.4179.30110.2L438L438-K440 VanDerWaalsContact C-N 3.25Å; L438-K440 PolarHBondContact O-N 2.82Å
441G77.4Confident90Very high65 Ų6581.8 Ų81.867%0.6744%0.436SS*.SBendtrans118.6-176.5177.200000113.3
442S85.7Confident90Very high87 Ų8782.7 Ų82.761%0.60844%0.442SS*.  trans-79.2148.4172.452.90000111.7
443F91.7Very high90Very high68 Ų6883.2 Ų83.230%0.29844%0.44SS..EExtended strand (participates in β ladder)trans-119.8161.3169.169.8-87.1000109.6A419 L420 F429 L438 P450 Y451A419-F443 HydrophobicContact CB-CE1 4.26Å; A419-F443 HydrophobicContact CB-CZ 3.85Å; L420-F443 HydrophobicContact CD2-CE2 4.06Å; F429-F443 AromaticContact CE1-CD1 3.68Å; F429-F443 HydrophobicContact CE1-CD1 3.68Å; F429-F443 AromaticContact CE1-CE1 3.91Å; F429-F443 HydrophobicContact CE1-CE1 3.91Å; F429-F443 HydrophobicContact CE1-CG 4.05Å; F429-F443 HydrophobicContact CE1-CZ 4.46Å; F429-F443 AromaticContact CZ-CD1 3.76Å; F429-F443 HydrophobicContact CZ-CD1 3.76Å; F429-F443 AromaticContact CZ-CD2 3.93Å; F429-F443 HydrophobicContact CZ-CD2 3.93Å; F429-F443 AromaticContact CZ-CE1 3.73Å; F429-F443 HydrophobicContact CZ-CE1 3.73Å; F429-F443 AromaticContact CZ-CE2 3.91Å; F429-F443 HydrophobicContact CZ-CE2 3.91Å; F429-F443 AromaticContact CZ-CG 3.87Å; F429-F443 HydrophobicContact CZ-CG 3.87Å; F429-F443 AromaticContact CZ-CZ 3.82Å; F429-F443 HydrophobicContact CZ-CZ 3.82Å; L438-F443 HydrophobicContact CB-CB 4.35Å; L438-F443 HydrophobicContact CD1-CB 3.88Å; L438-F443 HydrophobicContact CD2-CB 4.21Å; L438-F443 HydrophobicContact CG-CB 4.39Å; F443-P450 HydrophobicContact CD2-CB 4.08Å; F443-Y451 WeakPolarHBondContact CA-O 3.45Å
444Q91.8Very high90Very high71 Ų7181 Ų8133%0.33244%0.439SS..EExtended strand (participates in β ladder)trans-112.2142.9170.8-63.9-66.1-12.500109.6Y451 F456Q444-Y451 PolarHBondContact N-O 3.36Å; Q444-Y451 PolarHBondContact O-N 2.05Å; Q444-F456 HydrophobicContact CB-CB 3.86Å; Q444-F456 HydrophobicContact CB-CD1 4.18Å; Q444-F456 HydrophobicContact CB-CD2 3.21Å; Q444-F456 HydrophobicContact CB-CE2 3.67Å; Q444-F456 HydrophobicContact CB-CG 3.49Å; Q444-F456 VanDerWaalsContact CB-CG 3.49Å; Q444-F456 HydrophobicContact CB-CZ 4.33Å; Q444-F456 HydrophobicContact CG-CB 3.96Å; Q444-F456 HydrophobicContact CG-CD1 3.97Å; Q444-F456 HydrophobicContact CG-CD2 3.94Å; Q444-F456 HydrophobicContact CG-CE1 4.44Å; Q444-F456 HydrophobicContact CG-CE2 4.38Å; Q444-F456 HydrophobicContact CG-CG 3.69Å
445E91.1Very high90Very high103 Ų10379.3 Ų79.348%0.48143%0.428SS..EExtended strand (participates in β ladder)trans-100.9136.3173.3178.4176.3-18000110.2L420 S448L420-E445 HydrophobicContact CD2-CB 3.92Å; L420-E445 HydrophobicContact CD2-CG 3.6Å; L420-E445 VanDerWaalsContact CD2-OE2 3.24Å; L420-E445 WeakPolarHBondContact CD2-OE2 3.47Å; E445-S448 WeakPolarHBondContact OE1-CA 3.28Å
446R90.9Very high90Very high127 Ų12775.4 Ų75.448%0.47941%0.406SS..EExtended strand (participates in β ladder)trans-144.4127.7162.3-169.8165.6177.3159.1-1.1109.5S448 K449 Y451 F456 F460R446-S448 PolarHBondContact O-N 3.06Å; R446-K449 PolarHBondContact N-O 3.44Å; R446-K449 WeakPolarHBondContact O-CB 3.45Å; R446-K449 PolarHBondContact O-N 2.88Å; R446-K449 VanDerWaalsContact O-N 3.14Å; R446-Y451 HydrophobicContact CB-CD2 4.44Å; R446-Y451 HydrophobicContact CB-CE2 4.09Å; R446-F456 HydrophobicContact CB-CE2 4.14Å; R446-F460 HydrophobicContact CB-CE2 4.26Å; R446-F460 VanDerWaalsContact NH1-CD1 3.26Å
447A89.4Confident90.1Very high82 Ų8271.1 Ų71.168%0.67840%0.396SS*.THydrogen-bonded Turntrans48.155.1-177.300000112.8K449A447-K449 PolarHBondContact O-N 3.33Å
448S87.2Confident90.2Very high93 Ų9376.3 Ų76.365%0.6541%0.412SS*.THydrogen-bonded Turntrans51.822-178.763.20000116.3E445 R446E445-S448 WeakPolarHBondContact OE1-CA 3.28Å; R446-S448 PolarHBondContact O-N 3.06Å
449K90.9Very high90.2Very high104 Ų10479.1 Ų79.145%0.45243%0.426SS..EExtended strand (participates in β ladder)trans-114.9132.5176.2-72.9163.5-179.8-66.90110T432 R446 A447 Y451T432-K449 HydrophobicContact CG2-CB 4.36Å; T432-K449 HydrophobicContact CG2-CD 4.26Å; T432-K449 HydrophobicContact CG2-CG 4.35Å; R446-K449 PolarHBondContact N-O 3.44Å; R446-K449 WeakPolarHBondContact O-CB 3.45Å; R446-K449 PolarHBondContact O-N 2.88Å; R446-K449 VanDerWaalsContact O-N 3.14Å; A447-K449 PolarHBondContact O-N 3.33Å; K449-Y451 HydrophobicContact CB-CE2 3.65Å; K449-Y451 WeakPolarHBondContact O-CD2 3.42Å; K449-Y451 VanDerWaalsContact O-CE2 3.24Å; K449-Y451 WeakPolarHBondContact O-CE2 3.24Å
450P93Very high90.6Very high16 Ų1679.2 Ų79.210%0.10442%0.421CS..EExtended strand (participates in β ladder)trans-88.7141.917935.8-34.2000111.3L420 F429 T432 L438 F443L420-P450 HydrophobicContact CD1-CB 4.24Å; L420-P450 HydrophobicContact CD1-CG 4.1Å; F429-P450 HydrophobicContact CD2-CG 4.43Å; F429-P450 HydrophobicContact CE2-CB 3.78Å; F429-P450 HydrophobicContact CE2-CG 3.87Å; F429-P450 HydrophobicContact CZ-CB 3.8Å; F429-P450 HydrophobicContact CZ-CG 4.36Å; T432-P450 PolarHBondContact N-O 2.9Å; T432-P450 WeakPolarHBondContact OG1-CD 3.25Å; T432-P450 PolarHBondContact OG1-O 3.18Å; L438-P450 HydrophobicContact CD1-CB 3.71Å; L438-P450 HydrophobicContact CD1-CG 4.25Å; F443-P450 HydrophobicContact CD2-CB 4.08Å
451Y94.3Very high90.8Very high24 Ų2475.2 Ų75.29%0.09444%0.435CS..EExtended strand (participates in β ladder)trans-132.3143.2-178.6-63-90.2000111.3T432 F433 F443 Q444 R446 K449 L459 F460T432-Y451 HydrophobicContact CG2-CE1 4.47Å; F433-Y451 HydrophobicContact CB-CD1 4.44Å; F443-Y451 WeakPolarHBondContact CA-O 3.45Å; Q444-Y451 PolarHBondContact N-O 3.36Å; Q444-Y451 PolarHBondContact O-N 2.05Å; R446-Y451 HydrophobicContact CB-CD2 4.44Å; R446-Y451 HydrophobicContact CB-CE2 4.09Å; K449-Y451 HydrophobicContact CB-CE2 3.65Å; K449-Y451 WeakPolarHBondContact O-CD2 3.42Å; K449-Y451 VanDerWaalsContact O-CE2 3.24Å; K449-Y451 WeakPolarHBondContact O-CE2 3.24Å; Y451-L459 HydrophobicContact CD1-CD1 4.07Å; Y451-L459 HydrophobicContact CE1-CD1 3.99Å; Y451-F460 HydrophobicContact CD1-CE2 4.15Å; Y451-F460 HydrophobicContact CD2-CE2 4.07Å; Y451-F460 AromaticContact CE1-CE2 3.92Å; Y451-F460 HydrophobicContact CE1-CE2 3.92Å; Y451-F460 HydrophobicContact CE1-CZ 4.26Å; Y451-F460 AromaticContact CE2-CE2 3.86Å; Y451-F460 HydrophobicContact CE2-CE2 3.86Å; Y451-F460 HydrophobicContact CE2-CZ 4.31Å; Y451-F460 HydrophobicContact CG-CE2 4.22Å; Y451-F460 AromaticContact CZ-CE2 3.78Å; Y451-F460 AromaticContact CZ-CZ 3.95Å
452C94.4Very high91.5Very high18 Ų1875.8 Ų75.812%0.12242%0.424CS..EExtended strand (participates in β ladder)trans-66.3144.7169.693.90000109.9C431 L438 P454 C455 F456C431-C452 HydrophobicContact CB-CB 4.07Å; C431-C452 PolarHBondContact SG-N 3.31Å; L438-C452 HydrophobicContact CD2-CB 3.79Å; C452-P454 VanDerWaalsContact SG-CD 3.6Å; C452-C455 HydrophobicContact CB-CB 4.04Å; C452-C455 WeakPolarHBondContact CB-SG 3.23Å; C452-C455 CarbonylContact O-C 3.55Å; C452-C455 WeakPolarHBondContact O-CA 3.22Å; C452-C455 VanDerWaalsContact O-CB 3.23Å; C452-C455 WeakPolarHBondContact O-CB 3.41Å; C452-C455 PolarHBondContact O-N 3.13Å; C452-C455 WeakPolarHBondContact SG-CB 3.21Å; C452-C455 PolarHBondContact SG-N 3.23Å; C452-C455 CovalentContact SG-SG 2.05Å; C452-C455 PolarHBondContact SG-SG 3.29Å; C452-F456 PolarHBondContact O-N 3.15Å
453Q92.7Very high91.8Very high69 Ų6975.2 Ų75.232%0.32241%0.414SS..Hα-helixtrans-51.6-46.2-179.5-17974.65.200113.1C455 F456 L457Q453-C455 VanDerWaalsContact C-N 3.27Å; Q453-C455 PolarHBondContact O-N 3.41Å; Q453-F456 PolarHBondContact O-N 3.14Å; Q453-L457 HydrophobicContact CG-CD1 4.42Å; Q453-L457 WeakPolarHBondContact O-CG 3.31Å; Q453-L457 PolarHBondContact O-N 3.37Å; Q453-L457 VanDerWaalsContact O-N 3.14Å
454P92.9Very high91.8Very high83 Ų8375.6 Ų75.654%0.53942%0.42SS..Hα-helixtrans-61.9-28.9172.1-24.733000115.2C452 K458C452-P454 VanDerWaalsContact SG-CD 3.6Å; P454-K458 WeakPolarHBondContact O-CB 3.49Å; P454-K458 WeakPolarHBondContact O-CD 3.49Å; P454-K458 WeakPolarHBondContact O-CG 3.4Å; P454-K458 PolarHBondContact O-N 2.82Å
455C94.8Very high91.8Very high8 Ų875.8 Ų75.85%0.05443%0.426CS..Hα-helixtrans-78.1-43-178.9-52.40000110.5C431 F433 C434 C452 Q453 K458 L459C431-C455 PolarHBondContact SG-SG 2.86Å; F433-C455 HydrophobicContact CB-CB 4.39Å; F433-C455 HydrophobicContact CD1-CB 4.41Å; C434-C455 PolarHBondContact SG-SG 2.93Å; C452-C455 HydrophobicContact CB-CB 4.04Å; C452-C455 WeakPolarHBondContact CB-SG 3.23Å; C452-C455 CarbonylContact O-C 3.55Å; C452-C455 WeakPolarHBondContact O-CA 3.22Å; C452-C455 VanDerWaalsContact O-CB 3.23Å; C452-C455 WeakPolarHBondContact O-CB 3.41Å; C452-C455 PolarHBondContact O-N 3.13Å; C452-C455 WeakPolarHBondContact SG-CB 3.21Å; C452-C455 PolarHBondContact SG-N 3.23Å; C452-C455 CovalentContact SG-SG 2.05Å; C452-C455 PolarHBondContact SG-SG 3.29Å; Q453-C455 VanDerWaalsContact C-N 3.27Å; Q453-C455 PolarHBondContact O-N 3.41Å; C455-K458 PolarHBondContact O-N 3.05Å; C455-L459 WeakPolarHBondContact O-CB 3.2Å; C455-L459 VanDerWaalsContact O-CG 3.25Å; C455-L459 WeakPolarHBondContact O-CG 3.43Å; C455-L459 PolarHBondContact O-N 2.83Å; C455-L459 VanDerWaalsContact O-N 3.14Å
456F94.4Very high91.8Very high41 Ų4174.1 Ų74.118%0.1842%0.422CS..Hα-helixtrans-61.4-50.2176.9-175.3-86.8000110.5Q444 R446 C452 Q453 K458 L459 F460Q444-F456 HydrophobicContact CB-CB 3.86Å; Q444-F456 HydrophobicContact CB-CD1 4.18Å; Q444-F456 HydrophobicContact CB-CD2 3.21Å; Q444-F456 HydrophobicContact CB-CE2 3.67Å; Q444-F456 HydrophobicContact CB-CG 3.49Å; Q444-F456 VanDerWaalsContact CB-CG 3.49Å; Q444-F456 HydrophobicContact CB-CZ 4.33Å; Q444-F456 HydrophobicContact CG-CB 3.96Å; Q444-F456 HydrophobicContact CG-CD1 3.97Å; Q444-F456 HydrophobicContact CG-CD2 3.94Å; Q444-F456 HydrophobicContact CG-CE1 4.44Å; Q444-F456 HydrophobicContact CG-CE2 4.38Å; Q444-F456 HydrophobicContact CG-CG 3.69Å; R446-F456 HydrophobicContact CB-CE2 4.14Å; C452-F456 PolarHBondContact O-N 3.15Å; Q453-F456 PolarHBondContact O-N 3.14Å; F456-K458 VanDerWaalsContact C-N 3.33Å; F456-K458 PolarHBondContact O-N 3.14Å; F456-L459 PolarHBondContact O-N 3.44Å; F456-L459 VanDerWaalsContact O-N 3.15Å; F456-F460 HydrophobicContact CD1-CB 4.42Å; F456-F460 AromaticContact CD2-CD2 3.58Å; F456-F460 HydrophobicContact CD2-CD2 3.58Å; F456-F460 HydrophobicContact CD2-CE2 4.23Å; F456-F460 HydrophobicContact CE1-CB 4.28Å; F456-F460 AromaticContact CE2-CD2 3.87Å; F456-F460 HydrophobicContact CE2-CD2 3.87Å; F456-F460 HydrophobicContact CG-CD2 4.03Å; F456-F460 HydrophobicContact CZ-CB 4.34Å; F456-F460 HydrophobicContact CZ-CD2 4.5Å; F456-F460 WeakPolarHBondContact O-CA 3.14Å; F456-F460 VanDerWaalsContact O-CB 3.31Å; F456-F460 WeakPolarHBondContact O-CB 3.35Å; F456-F460 PolarHBondContact O-N 3.28Å
457L93.5Very high91.9Very high90 Ų9070.6 Ų70.647%0.47142%0.418SS..Hα-helixtrans-58.5-43.2176.8-68.1172.1000112Q453 L459 G461Q453-L457 HydrophobicContact CG-CD1 4.42Å; Q453-L457 WeakPolarHBondContact O-CG 3.31Å; Q453-L457 PolarHBondContact O-N 3.37Å; Q453-L457 VanDerWaalsContact O-N 3.14Å; L457-L459 VanDerWaalsContact C-N 3.27Å; L457-L459 PolarHBondContact O-N 2.92Å; L457-G461 WeakPolarHBondContact O-CA 3.48Å; L457-G461 PolarHBondContact O-N 3.37Å
458K93.4Very high92.1Very high176 Ų17669.8 Ų69.877%0.76540%0.4SS*.Hα-helixtrans-67.7-19.7178.4-76.8178.2179.3-168.60115.5P454 C455 F456P454-K458 WeakPolarHBondContact O-CB 3.49Å; P454-K458 WeakPolarHBondContact O-CD 3.49Å; P454-K458 WeakPolarHBondContact O-CG 3.4Å; P454-K458 PolarHBondContact O-N 2.82Å; C455-K458 PolarHBondContact O-N 3.05Å; F456-K458 VanDerWaalsContact C-N 3.33Å; F456-K458 PolarHBondContact O-N 3.14Å
459L91.9Very high92.5Very high74 Ų7468 Ų6839%0.38738%0.381SS..Hα-helixtrans-107.8-22.4-176.4-67172.2000113.1F433 Y451 C455 F456 L457F433-L459 HydrophobicContact CB-CD1 3.91Å; F433-L459 HydrophobicContact CD1-CD1 4.48Å; F433-L459 HydrophobicContact CD2-CD1 3.87Å; F433-L459 HydrophobicContact CD2-CD2 4.21Å; F433-L459 HydrophobicContact CE2-CD2 4.1Å; F433-L459 HydrophobicContact CG-CD1 3.83Å; Y451-L459 HydrophobicContact CD1-CD1 4.07Å; Y451-L459 HydrophobicContact CE1-CD1 3.99Å; C455-L459 WeakPolarHBondContact O-CB 3.2Å; C455-L459 VanDerWaalsContact O-CG 3.25Å; C455-L459 WeakPolarHBondContact O-CG 3.43Å; C455-L459 PolarHBondContact O-N 2.83Å; C455-L459 VanDerWaalsContact O-N 3.14Å; F456-L459 PolarHBondContact O-N 3.44Å; F456-L459 VanDerWaalsContact O-N 3.15Å; L457-L459 VanDerWaalsContact C-N 3.27Å; L457-L459 PolarHBondContact O-N 2.92Å
460F92.9Very high92.6Very high69 Ų6965 Ų6530%0.30338%0.375SS..Hα-helixtrans-144.5-6.9-163.2-57.6-50.8000115.3R446 Y451 F456R446-F460 HydrophobicContact CB-CE2 4.26Å; R446-F460 VanDerWaalsContact NH1-CD1 3.26Å; Y451-F460 HydrophobicContact CD1-CE2 4.15Å; Y451-F460 HydrophobicContact CD2-CE2 4.07Å; Y451-F460 AromaticContact CE1-CE2 3.92Å; Y451-F460 HydrophobicContact CE1-CE2 3.92Å; Y451-F460 HydrophobicContact CE1-CZ 4.26Å; Y451-F460 AromaticContact CE2-CE2 3.86Å; Y451-F460 HydrophobicContact CE2-CE2 3.86Å; Y451-F460 HydrophobicContact CE2-CZ 4.31Å; Y451-F460 HydrophobicContact CG-CE2 4.22Å; Y451-F460 AromaticContact CZ-CE2 3.78Å; Y451-F460 AromaticContact CZ-CZ 3.95Å; F456-F460 HydrophobicContact CD1-CB 4.42Å; F456-F460 AromaticContact CD2-CD2 3.58Å; F456-F460 HydrophobicContact CD2-CD2 3.58Å; F456-F460 HydrophobicContact CD2-CE2 4.23Å; F456-F460 HydrophobicContact CE1-CB 4.28Å; F456-F460 AromaticContact CE2-CD2 3.87Å; F456-F460 HydrophobicContact CE2-CD2 3.87Å; F456-F460 HydrophobicContact CG-CD2 4.03Å; F456-F460 HydrophobicContact CZ-CB 4.34Å; F456-F460 HydrophobicContact CZ-CD2 4.5Å; F456-F460 WeakPolarHBondContact O-CA 3.14Å; F456-F460 VanDerWaalsContact O-CB 3.31Å; F456-F460 WeakPolarHBondContact O-CB 3.35Å; F456-F460 PolarHBondContact O-N 3.28Å
461G83Confident92.6Very high112 Ų11269.5 Ų69.5100%1.15540%0.399SS*.  trans-103.60176.200000111.7L457L457-G461 WeakPolarHBondContact O-CA 3.48Å; L457-G461 PolarHBondContact O-N 3.37Å

Retrieved 461 of 461 residues in 73.6 ms (Link to these results)