A0A087X302_POEFO Loading...

Peptidase S1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A087X302, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 307 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
1M39.9Very low38.4Very low219 Ų219146.5 Ų146.5100%1.07983%0.826SS**  0135.40-157176-164.600107.4
2F32.5Very low38.6Very low185 Ų185148.4 Ų148.481%0.81183%0.831SS**  trans85.9107.2177-65.3-77.5000119.7
3I39.4Very low38.8Very low136 Ų136142.5 Ų142.570%0.69781%0.812SS**  trans-81.4149.6155.1-61.8174.4000108.2Y5I3-Y5 HydrophobicContact CG2-CD2 4.18Å; I3-Y5 HydrophobicContact CG2-CE2 4.49Å; I3-Y5 VanDerWaalsContact CG2-N 3.34Å
4P43.7Very low38.9Very low120 Ų120139.8 Ų139.878%0.77981%0.806SS**  -133.9119120.825.3-7.6000111.5
5Y37.3Very low39.1Very low211 Ų211144.6 Ų144.683%0.82781%0.808SS**  70.7100.793.2-80.8-74.4000114.4I3I3-Y5 HydrophobicContact CG2-CD2 4.18Å; I3-Y5 HydrophobicContact CG2-CE2 4.49Å; I3-Y5 VanDerWaalsContact CG2-N 3.34Å
6G36.1Very low39.6Very low67 Ų67142.1 Ų142.169%0.69180%0.804SS**PPolyproline II helixtrans-79.3170.5174.700000114.4
7A37.7Very low40.1Very low103 Ų103138.8 Ų138.885%0.85179%0.791SS**PPolyproline II helixtrans-55.5138.3-17800000114.5
8H36.8Very low40.2Very low183 Ų183137.4 Ų137.485%0.84779%0.79SS**PPolyproline II helixtrans-102.9123.5161.1-86.4-66.4000109.9
9P41.7Very low40.6Very low119 Ų119141.7 Ų141.777%0.77379%0.792SS**PPolyproline II helixtrans-79.4160.6166.630.9-26.5000110.8
10G39.2Very low41.1Very low75 Ų75142.5 Ų142.577%0.77379%0.794SS**PPolyproline II helixtrans-60.3136.6-160.100000115.4L12G10-L12 PolarHBondContact O-N 3.04Å
11M38.3Very low41.7Very low194 Ų194143.7 Ų143.796%0.95680%0.798SS**  trans-77.3100163.7-148.1171.8-154.500106.9A13M11-A13 PolarHBondContact O-N 3.26Å
12L40.2Very low42.6Very low169 Ų169140 Ų14089%0.88578%0.778SS**  trans-64.1104.3163.1-74.1167.4000106.6G10 S14G10-L12 PolarHBondContact O-N 3.04Å; L12-S14 PolarHBondContact O-N 2.98Å
13A41.2Very low44.7Very low71 Ų71134 Ų13459%0.58776%0.757SS**  trans-61105.4167.700000107.6M11 Y15M11-A13 PolarHBondContact O-N 3.26Å; A13-Y15 VanDerWaalsContact C-N 3.35Å; A13-Y15 HydrophobicContact CB-CE2 4.43Å; A13-Y15 WeakPolarHBondContact O-CD2 3.45Å; A13-Y15 PolarHBondContact O-N 2.96Å
14S40.7Very low46.5Very low105 Ų105132.9 Ų132.973%0.73475%0.752SS**  trans-64.399.2167.3-179.10000107.2L12 S16L12-S14 PolarHBondContact O-N 2.98Å; S14-S16 PolarHBondContact O-N 2.92Å
15Y42.3Very low48.2Very low212 Ų212127.3 Ų127.383%0.83172%0.716SS**  trans-67.384.9162.9-72.2-89000107.3A13 S17A13-Y15 VanDerWaalsContact C-N 3.35Å; A13-Y15 HydrophobicContact CB-CE2 4.43Å; A13-Y15 WeakPolarHBondContact O-CD2 3.45Å; A13-Y15 PolarHBondContact O-N 2.96Å; Y15-S17 PolarHBondContact O-N 2.87Å
16S46.3Very low50.4Low105 Ų105119 Ų11973%0.73469%0.687SS**  trans-63.996.5158.9-88.60000106.7S14 C18S14-S16 PolarHBondContact O-N 2.92Å; S16-C18 PolarHBondContact O-N 2.85Å
17S48.1Very low52.7Low85 Ų85117.5 Ų117.559%0.59467%0.669SS**  trans-58.995.5162.813.10000107.1Y15 W19Y15-S17 PolarHBondContact O-N 2.87Å; S17-W19 PolarHBondContact O-N 2.87Å
18C42.7Very low55.2Low114 Ų114113.9 Ų113.977%0.7764%0.636SS**  trans-67.685.1165.5-1640000106.1S16 L20S16-C18 PolarHBondContact O-N 2.85Å; C18-L20 VanDerWaalsContact C-N 3.29Å; C18-L20 PolarHBondContact O-N 2.92Å
19W46.4Very low58.1Low220 Ų220105.2 Ų105.283%0.83360%0.596SS**  trans-61.4100.6164.3-65.494.5000105.7S17 L21S17-W19 PolarHBondContact O-N 2.87Å; W19-L21 PolarHBondContact O-N 2.91Å
20L51.3Low60.6Low156 Ų15699.6 Ų99.682%0.81756%0.56SS**  trans-52108.6168.1-76.3157.5000106.2C18 Q22C18-L20 VanDerWaalsContact C-N 3.29Å; C18-L20 PolarHBondContact O-N 2.92Å; L20-Q22 PolarHBondContact O-N 2.84Å
21L54.4Low63.3Low169 Ų16997.8 Ų97.889%0.88553%0.534SS*.  trans-54.8104.6175.6-76.2162.7000106.7W19W19-L21 PolarHBondContact O-N 2.91Å
22Q58.6Low65.9Low142 Ų14289.5 Ų89.566%0.66450%0.496SS*.  trans-60.1131.1176.9-84.3-176.5-32.500107.5L20 L24L20-Q22 PolarHBondContact O-N 2.84Å; Q22-L24 PolarHBondContact O-N 3.41Å
23P76.9Confident68.3Low57 Ų5784.2 Ų84.237%0.3747%0.472SS..  trans-58.2138.6-179.2-28.539000111S25 V26 A27 P275P23-S25 PolarHBondContact O-N 3.17Å; P23-V26 HydrophobicContact CB-CG2 4.43Å; P23-V26 WeakPolarHBondContact O-CB 3.33Å; P23-V26 PolarHBondContact O-N 3.49Å; P23-A27 PolarHBondContact O-N 3.22Å; P23-A27 VanDerWaalsContact O-N 3.11Å; P23-P275 HydrophobicContact CB-CB 3.63Å; P23-P275 HydrophobicContact CB-CG 3Å; P23-P275 HydrophobicContact CG-CB 3.44Å; P23-P275 VanDerWaalsContact CG-CB 3.44Å; P23-P275 HydrophobicContact CG-CG 3.24Å
24L77.2Confident70.5Confident113 Ų11384.8 Ų84.859%0.59246%0.464SS*.Hα-helixtrans-54.8-36.7-170.6-17265.9000112.1Q22 V26 A27 V28 F141Q22-L24 PolarHBondContact O-N 3.41Å; L24-V26 VanDerWaalsContact C-N 3.33Å; L24-V26 PolarHBondContact O-N 3.03Å; L24-A27 PolarHBondContact O-N 3.38Å; L24-V28 HydrophobicContact CD1-CG1 3.9Å; L24-V28 HydrophobicContact CG-CG1 4.38Å; L24-V28 VanDerWaalsContact O-CG2 3.3Å; L24-V28 WeakPolarHBondContact O-CG2 3.34Å; L24-V28 PolarHBondContact O-N 3.47Å; L24-F141 HydrophobicContact CD2-CD2 3.8Å; L24-F141 HydrophobicContact CD2-CE2 4.36Å; L24-F141 HydrophobicContact CG-CD2 3.92Å; L24-F141 HydrophobicContact CG-CE2 4.23Å
25S78.8Confident72.1Confident4 Ų481.3 Ų81.33%0.02845%0.445CS..Hα-helixtrans-58.4-40.8176.4-54.50000113P23 C29 F141P23-S25 PolarHBondContact O-N 3.17Å; S25-C29 WeakPolarHBondContact O-CB 3.43Å; S25-C29 PolarHBondContact O-N 3.3Å; S25-C29 VanDerWaalsContact O-N 3.14Å; S25-F141 WeakPolarHBondContact OG-CZ 3.47Å
26V82.9Confident73.2Confident36 Ų3672 Ų7222%0.21841%0.411CS..Hα-helixtrans-71.7-42.5176.5-1790000110.5P23 L24 V28 P275P23-V26 HydrophobicContact CB-CG2 4.43Å; P23-V26 WeakPolarHBondContact O-CB 3.33Å; P23-V26 PolarHBondContact O-N 3.49Å; L24-V26 VanDerWaalsContact C-N 3.33Å; L24-V26 PolarHBondContact O-N 3.03Å; V26-V28 VanDerWaalsContact C-N 3.32Å; V26-V28 PolarHBondContact O-N 3.11Å; V26-P275 HydrophobicContact CG2-CB 3.83Å
27A84.8Confident73.7Confident36 Ų3668.1 Ų68.130%0.29838%0.384SS..Hα-helixtrans-61.7-40.3-177.500000112P23 L24 R235P23-A27 PolarHBondContact O-N 3.22Å; P23-A27 VanDerWaalsContact O-N 3.11Å; L24-A27 PolarHBondContact O-N 3.38Å; A27-R235 PolarHBondContact O-NH1 2.89Å; A27-R235 PolarHBondContact O-NH2 3.04Å
28V91.4Very high73.9Confident26 Ų2674.3 Ų74.316%0.15839%0.394CS..Hα-helixtrans-105.2-1.4-172-48.70000114.9L24 V26 T31 F141 P147L24-V28 HydrophobicContact CD1-CG1 3.9Å; L24-V28 HydrophobicContact CG-CG1 4.38Å; L24-V28 VanDerWaalsContact O-CG2 3.3Å; L24-V28 WeakPolarHBondContact O-CG2 3.34Å; L24-V28 PolarHBondContact O-N 3.47Å; V26-V28 VanDerWaalsContact C-N 3.32Å; V26-V28 PolarHBondContact O-N 3.11Å; V28-T31 WeakPolarHBondContact O-CB 3.3Å; V28-T31 WeakPolarHBondContact O-CG2 3.35Å; V28-T31 PolarHBondContact O-N 3.39Å; V28-T31 PolarHBondContact O-OG1 3.07Å; V28-F141 HydrophobicContact CG2-CD2 3.71Å; V28-F141 HydrophobicContact CG2-CE2 4.01Å; V28-F141 HydrophobicContact CG2-CG 4.39Å; V28-P147 HydrophobicContact CG2-CG 4.25Å
29C96Very high74Confident2 Ų272 Ų721%0.01439%0.39CS..THydrogen-bonded Turntrans-56.5145.3-178.776.20000112.4S25 T31 P147 C149 R235S25-C29 WeakPolarHBondContact O-CB 3.43Å; S25-C29 PolarHBondContact O-N 3.3Å; S25-C29 VanDerWaalsContact O-N 3.14Å; C29-T31 PolarHBondContact O-N 3.14Å; C29-T31 VanDerWaalsContact O-N 3.08Å; C29-P147 CarbonylContact C-O 3.52Å; C29-P147 VanDerWaalsContact CA-O 3.24Å; C29-P147 WeakPolarHBondContact CA-O 3.3Å; C29-P147 HydrophobicContact CB-CG 4.35Å; C29-C149 HydrophobicContact CB-CB 4.03Å; C29-C149 WeakPolarHBondContact CB-SG 3.33Å; C29-C149 PolarHBondContact O-SG 3.41Å; C29-C149 VanDerWaalsContact SG-CA 3.57Å; C29-C149 WeakPolarHBondContact SG-CB 3.48Å; C29-C149 CovalentContact SG-SG 2.06Å; C29-C149 PolarHBondContact SG-SG 2.85Å; C29-R235 PolarHBondContact O-NH1 3.39Å
30G95.8Very high73.5Confident1 Ų164.9 Ų64.91%0.0137%0.374CS..THydrogen-bonded Turntrans63.917.5173.700000113.7P147 R235 W236G30-P147 PolarHBondContact N-O 3.26Å; G30-R235 WeakPolarHBondContact O-CA 3.44Å; G30-W236 VanDerWaalsContact CA-O 3.26Å; G30-W236 WeakPolarHBondContact CA-O 3.36Å; G30-W236 PolarHBondContact O-N 2.89Å
31T95.4Very high72.8Confident37 Ų3768.3 Ų68.323%0.22738%0.376CS..  trans-98.5131.7173650000109.7V28 C29 R146V28-T31 WeakPolarHBondContact O-CB 3.3Å; V28-T31 WeakPolarHBondContact O-CG2 3.35Å; V28-T31 PolarHBondContact O-N 3.39Å; V28-T31 PolarHBondContact O-OG1 3.07Å; C29-T31 PolarHBondContact O-N 3.14Å; C29-T31 VanDerWaalsContact O-N 3.08Å; T31-R146 WeakPolarHBondContact OG1-CD 3.07Å; T31-R146 PolarHBondContact OG1-NH1 3.02Å
32A93.3Very high72Confident20 Ų2064.7 Ų64.717%0.16536%0.357CS..  trans-119.590.3175.600000108.6L34 G35 A52 P54 W55A32-L34 VanDerWaalsContact C-N 3.27Å; A32-L34 PolarHBondContact O-N 2.88Å; A32-G35 PolarHBondContact O-N 2.88Å; A32-G35 VanDerWaalsContact O-N 3.09Å; A32-A52 WeakPolarHBondContact CB-O 3.46Å; A32-P54 HydrophobicContact CB-CG 4.44Å; A32-W55 HydrophobicContact CB-CH2 4.22Å; A32-W55 HydrophobicContact CB-CZ3 4.36Å
33P89.4Confident71Confident58 Ų5863.4 Ų63.438%0.37736%0.358SS..THydrogen-bonded Turntrans-62.2-32.6-169.6-23.734.1000114.1G35 D143 R146P33-G35 PolarHBondContact O-N 2.77Å; P33-D143 HydrophobicContact CB-CB 4.33Å; P33-D143 HydrophobicContact CG-CB 4.37Å; P33-R146 VanDerWaalsContact CG-NE 3.34Å; P33-R146 VanDerWaalsContact CG-NH2 3.31Å
34L87.2Confident70Confident82 Ų8262.8 Ų62.843%0.42936%0.362SS..THydrogen-bonded Turntrans-85.31.6-178.5-57.7176.8000112.7A32 D143 Y144A32-L34 VanDerWaalsContact C-N 3.27Å; A32-L34 PolarHBondContact O-N 2.88Å; L34-D143 HydrophobicContact CD1-CB 4.16Å; L34-D143 HydrophobicContact CD2-CB 4.39Å; L34-D143 HydrophobicContact CG-CB 4.13Å; L34-Y144 HydrophobicContact CD1-CD1 4.03Å; L34-Y144 HydrophobicContact CD1-CD2 4.33Å; L34-Y144 HydrophobicContact CD1-CE1 3.47Å; L34-Y144 VanDerWaalsContact CD1-CE1 3.47Å; L34-Y144 HydrophobicContact CD1-CE2 3.81Å; L34-Y144 HydrophobicContact CD1-CG 4.42Å
35G74.3Confident69.6Low33 Ų3358.2 Ų58.234%0.3434%0.342SS..  trans80.3147.5179.600000113.2A32 P33 A52A32-G35 PolarHBondContact O-N 2.88Å; A32-G35 VanDerWaalsContact O-N 3.09Å; P33-G35 PolarHBondContact O-N 2.77Å; G35-A52 WeakPolarHBondContact O-CA 3.4Å; G35-A52 WeakPolarHBondContact O-CB 3.29Å
36S65.6Low69.9Low15 Ų1559.8 Ų59.811%0.10535%0.349CS..  trans-93.7151162.666.50000108.6R38 W236S36-R38 VanDerWaalsContact C-N 3.33Å; S36-R38 PolarHBondContact O-N 3.3Å; S36-W236 WeakPolarHBondContact OG-CZ2 3.23Å
37S56.9Low70.2Confident24 Ų2462.5 Ų62.517%0.16836%0.362CS..  trans-62.284.5-177.5-27.20000112.1G39 P49 E185S37-G39 PolarHBondContact O-N 2.91Å; S37-P49 WeakPolarHBondContact OG-CD 3.29Å; S37-P49 VanDerWaalsContact OG-CG 3.3Å; S37-P49 WeakPolarHBondContact OG-CG 3Å; S37-E185 WeakPolarHBondContact CB-OE1 3.34Å; S37-E185 VanDerWaalsContact OG-CD 3.3Å; S37-E185 PolarHBondContact OG-OE1 3.29Å; S37-E185 PolarHBondContact OG-OE2 2.96Å
38R53.4Low70.5Confident215 Ų21560.9 Ų60.981%0.81135%0.349SS*.  trans-82.243.7173.1-63.3-167.9-160.1-175.35.5111.8S36S36-R38 VanDerWaalsContact C-N 3.33Å; S36-R38 PolarHBondContact O-N 3.3Å
39G43.7Very low70.6Confident66 Ų6662.5 Ų62.568%0.6836%0.36SS*.SBendtrans178.566.2-172.300000116.3S37S37-G39 PolarHBondContact O-N 2.91Å
40S36.3Very low70.5Confident71 Ų7164.4 Ų64.450%0.49738%0.376SS..  trans-177.4123.1139.4-170.80000108.1I42 Q46S40-I42 PolarHBondContact O-N 3.43Å; S40-I42 WeakPolarHBondContact OG-CG1 3.35Å; S40-Q46 PolarHBondContact O-OE1 3.15Å
41R37.3Very low70.4Confident228 Ų22865 Ų6586%0.8638%0.382SS*.  trans-80.995.9173.4-81.3-178.4177.2-179.2-0.5108
42I36.9Very low70.4Confident93 Ų9363.3 Ų63.348%0.47737%0.372SS..  trans-110.7136.1169.5-54.6-161.3000109.5S40 R217S40-I42 PolarHBondContact O-N 3.43Å; S40-I42 WeakPolarHBondContact OG-CG1 3.35Å; I42-R217 PolarHBondContact O-NH2 3.13Å
43V38.5Very low70.6Confident115 Ų11562.7 Ų62.770%0.69737%0.365SS*.THydrogen-bonded Turntrans-85.2133.9-178.9-179.40000108.4
44G55.3Low71Confident44 Ų4460 Ų6045%0.45435%0.348SS..THydrogen-bonded Turntrans101.77.8-178.700000116.7
45G68.9Low71.5Confident17 Ų1756.2 Ų56.218%0.17533%0.328CS..  trans82.5166.9-17000000111.7E185G45-E185 WeakPolarHBondContact CA-O 3.05Å
46Q83.7Confident72.7Confident36 Ų3654.9 Ų54.917%0.16831%0.313CS..EExtended strand (participates in β ladder)trans-144.9159.8175.667.2-173.811.800110.7S40 A48 Q184 E185S40-Q46 PolarHBondContact O-OE1 3.15Å; Q46-A48 PolarHBondContact O-N 3.41Å; Q46-Q184 VanDerWaalsContact C-OE1 3.28Å; Q46-Q184 CarbonylContact O-C 3.53Å; Q46-Q184 WeakPolarHBondContact O-CA 3.35Å; Q46-Q184 PolarHBondContact O-OE1 2.81Å; Q46-E185 HydrophobicContact CG-CG 3.75Å; Q46-E185 PolarHBondContact N-O 2.74Å; Q46-E185 PolarHBondContact NE2-OE1 2.91Å; Q46-E185 PolarHBondContact O-N 3.09Å
47D89.8Confident74.3Confident93 Ų9354.2 Ų54.250%0.49731%0.308SS..EExtended strand (participates in β ladder)trans-56.1120.9169.6-80.217.5000109.8T182 Q184D47-T182 HydrophobicContact CB-CG2 3.9Å; D47-T182 WeakPolarHBondContact OD2-CB 3.32Å; D47-T182 PolarHBondContact OD2-OG1 3.46Å; D47-T182 VanDerWaalsContact OD2-OG1 3.09Å; D47-Q184 PolarHBondContact OD1-NE2 3.22Å
48A91.5Very high76.2Confident2 Ų253 Ų532%0.01730%0.3CS..PPolyproline II helixtrans-71.2136.3173.200000109.5Q46 H98 L183 E185Q46-A48 PolarHBondContact O-N 3.41Å; A48-H98 PolarHBondContact O-NE2 3.44Å; A48-L183 HydrophobicContact CB-CB 4.25Å; A48-L183 HydrophobicContact CB-CD2 4.12Å; A48-L183 HydrophobicContact CB-CG 3.98Å; A48-L183 WeakPolarHBondContact CB-O 3.19Å; A48-L183 PolarHBondContact N-O 2.92Å; A48-E185 HydrophobicContact CB-CB 4.11Å; A48-E185 HydrophobicContact CB-CG 3.98Å
49P93.2Very high78.3Confident61 Ų6142.8 Ų42.840%0.39626%0.261SS..PPolyproline II helixtrans-59.1145.2169-21.932.3000111.2S37 G51 A52S37-P49 WeakPolarHBondContact OG-CD 3.29Å; S37-P49 VanDerWaalsContact OG-CG 3.3Å; S37-P49 WeakPolarHBondContact OG-CG 3Å; P49-G51 PolarHBondContact O-N 3.41Å; P49-A52 HydrophobicContact CB-CB 4.18Å; P49-A52 HydrophobicContact CG-CB 4.38Å; P49-A52 VanDerWaalsContact O-CB 3.25Å; P49-A52 WeakPolarHBondContact O-CB 3.38Å; P49-A52 PolarHBondContact O-N 3.44Å
50A93.9Very high80.8Confident42 Ų4240.5 Ų40.535%0.34723%0.233SC..THydrogen-bonded Turntrans-58123.9177.400000110.7A52 Y144A50-A52 VanDerWaalsContact C-N 3.33Å; A50-Y144 HydrophobicContact CB-CE1 4.25Å
51G94.3Very high83.4Confident14 Ų1440.1 Ų40.114%0.14422%0.223CC..THydrogen-bonded Turntrans79.84.5-179.400000115.7P49 W53P49-G51 PolarHBondContact O-N 3.41Å; G51-W53 PolarHBondContact O-N 3.02Å
52A94.8Very high85.9Confident0 Ų033.6 Ų33.60%023%0.227CC..SBendtrans-61.6-30.8173.700000112.9A32 G35 P49 A50 P54A32-A52 WeakPolarHBondContact CB-O 3.46Å; G35-A52 WeakPolarHBondContact O-CA 3.4Å; G35-A52 WeakPolarHBondContact O-CB 3.29Å; P49-A52 HydrophobicContact CB-CB 4.18Å; P49-A52 HydrophobicContact CG-CB 4.38Å; P49-A52 VanDerWaalsContact O-CB 3.25Å; P49-A52 WeakPolarHBondContact O-CB 3.38Å; P49-A52 PolarHBondContact O-N 3.44Å; A50-A52 VanDerWaalsContact C-N 3.33Å; A52-P54 WeakPolarHBondContact O-CD 3.41Å
53W97.4Very high88.4Confident7 Ų733 Ų333%0.02723%0.231CC..SBendtrans-126.270.6-177.8-52.5105.2000110.5G51 W55 Q56 W164 T166 L183 E185 V229 W236G51-W53 PolarHBondContact O-N 3.02Å; W53-W55 AromaticContact CE3-CE2 3.94Å; W53-W55 HydrophobicContact CE3-CH2 4.28Å; W53-W55 AromaticContact CE3-CZ2 3.42Å; W53-W55 HydrophobicContact CE3-CZ2 3.42Å; W53-W55 VanDerWaalsContact CE3-CZ2 3.42Å; W53-W55 AromaticContact CZ3-CZ2 3.82Å; W53-W55 HydrophobicContact CZ3-CZ2 3.82Å; W53-W55 PolarHBondContact O-N 3.47Å; W53-Q56 HydrophobicContact CB-CB 4.26Å; W53-Q56 VanDerWaalsContact O-CB 3.3Å; W53-Q56 WeakPolarHBondContact O-CB 3.17Å; W53-Q56 PolarHBondContact O-N 3.26Å; W53-W164 HydrophobicContact CH2-CB 3.52Å; W53-W164 AromaticContact CH2-CD2 3.87Å; W53-W164 HydrophobicContact CH2-CD2 3.87Å; W53-W164 HydrophobicContact CH2-CE3 4.15Å; W53-W164 AromaticContact CH2-CG 3.6Å; W53-W164 HydrophobicContact CH2-CG 3.6Å; W53-W164 HydrophobicContact CZ2-CB 4.06Å; W53-W164 AromaticContact CZ2-CD2 3.89Å; W53-W164 HydrophobicContact CZ2-CD2 3.89Å; W53-W164 AromaticContact CZ2-CE3 3.68Å; W53-W164 HydrophobicContact CZ2-CE3 3.68Å; W53-W164 HydrophobicContact CZ2-CG 4.08Å; W53-W164 HydrophobicContact CZ2-CZ3 4.41Å; W53-W164 HydrophobicContact CZ3-CB 4.2Å; W53-T166 HydrophobicContact CB-CG2 4.34Å; W53-T166 VanDerWaalsContact CD1-CG2 3.49Å; W53-T166 HydrophobicContact CD2-CG2 3.58Å; W53-T166 HydrophobicContact CE3-CG2 4.3Å; W53-T166 HydrophobicContact CG-CG2 3.55Å; W53-T166 HydrophobicContact CZ2-CG2 4.26Å; W53-L183 HydrophobicContact CB-CD2 4.43Å; W53-E185 HydrophobicContact CZ2-CB 4.37Å; W53-E185 PolarHBondContact NE1-OE2 3.41Å; W53-V229 HydrophobicContact CE3-CG2 4.2Å; W53-V229 HydrophobicContact CH2-CG2 4.33Å; W53-V229 HydrophobicContact CZ3-CG2 3.58Å; W53-W236 HydrophobicContact CH2-CE3 4.42Å; W53-W236 AromaticContact CH2-CH2 3.76Å; W53-W236 HydrophobicContact CH2-CH2 3.76Å; W53-W236 HydrophobicContact CH2-CZ2 4Å; W53-W236 AromaticContact CH2-CZ3 3.98Å; W53-W236 HydrophobicContact CH2-CZ3 3.98Å; W53-W236 HydrophobicContact CZ3-CD2 4.02Å; W53-W236 HydrophobicContact CZ3-CE3 4Å; W53-W236 HydrophobicContact CZ3-CH2 4.11Å; W53-W236 HydrophobicContact CZ3-CZ2 4.15Å; W53-W236 HydrophobicContact CZ3-CZ3 4.03Å
54P97.8Very high91Very high3 Ų329.1 Ų29.12%0.01921%0.205CC..THydrogen-bonded Turntrans-69.2-7.8-168.530.4-37.7000114.1A32 A52 Y144 I145 R146A32-P54 HydrophobicContact CB-CG 4.44Å; A52-P54 WeakPolarHBondContact O-CD 3.41Å; P54-Y144 VanDerWaalsContact CA-O 3.31Å; P54-Y144 WeakPolarHBondContact CA-O 3.26Å; P54-Y144 WeakPolarHBondContact CB-O 3.26Å; P54-I145 WeakPolarHBondContact O-CA 3.13Å; P54-R146 CarbonylContact C-O 3.59Å; P54-R146 HydrophobicContact CB-CB 4.02Å; P54-R146 HydrophobicContact CB-CG 4.31Å; P54-R146 HydrophobicContact CG-CB 3.95Å; P54-R146 HydrophobicContact CG-CG 4.4Å; P54-R146 PolarHBondContact O-N 3.17Å
55W98.6Very high92.8Very high1 Ų129.1 Ų29.10%0.00419%0.192CC..THydrogen-bonded Turntrans-90.3-12.1172.145.881.6000113.6A32 W53 V57 S69 L70 R146 V148 V229 W236A32-W55 HydrophobicContact CB-CH2 4.22Å; A32-W55 HydrophobicContact CB-CZ3 4.36Å; W53-W55 AromaticContact CE3-CE2 3.94Å; W53-W55 HydrophobicContact CE3-CH2 4.28Å; W53-W55 AromaticContact CE3-CZ2 3.42Å; W53-W55 HydrophobicContact CE3-CZ2 3.42Å; W53-W55 VanDerWaalsContact CE3-CZ2 3.42Å; W53-W55 AromaticContact CZ3-CZ2 3.82Å; W53-W55 HydrophobicContact CZ3-CZ2 3.82Å; W53-W55 PolarHBondContact O-N 3.47Å; W55-V57 PolarHBondContact O-N 3.15Å; W55-S69 CarbonylContact O-C 3.56Å; W55-S69 VanDerWaalsContact O-CA 3.27Å; W55-S69 WeakPolarHBondContact O-CA 3.1Å; W55-L70 HydrophobicContact CB-CB 4.45Å; W55-L70 PolarHBondContact O-N 2.83Å; W55-R146 WeakPolarHBondContact CA-O 3.35Å; W55-R146 VanDerWaalsContact CB-O 3.25Å; W55-R146 WeakPolarHBondContact CB-O 3.41Å; W55-R146 PolarHBondContact N-O 3.33Å; W55-V148 HydrophobicContact CB-CB 3.81Å; W55-V148 HydrophobicContact CB-CG1 4.4Å; W55-V148 HydrophobicContact CD2-CB 3.7Å; W55-V148 HydrophobicContact CD2-CG2 3.88Å; W55-V148 HydrophobicContact CE3-CB 4.1Å; W55-V148 HydrophobicContact CE3-CG2 4.3Å; W55-V148 HydrophobicContact CG-CB 3.58Å; W55-V148 HydrophobicContact CG-CG1 4.42Å; W55-V148 HydrophobicContact CG-CG2 4.12Å; W55-V148 HydrophobicContact CZ2-CG2 4.36Å; W55-V229 HydrophobicContact CZ2-CG1 4.48Å; W55-V229 HydrophobicContact CZ2-CG2 4.37Å; W55-W236 HydrophobicContact CH2-CB 3.38Å; W55-W236 AromaticContact CH2-CD1 3.4Å; W55-W236 VanDerWaalsContact CH2-CD1 3.4Å; W55-W236 HydrophobicContact CH2-CD2 4.35Å; W55-W236 AromaticContact CH2-CG 3.42Å; W55-W236 HydrophobicContact CH2-CG 3.42Å; W55-W236 VanDerWaalsContact CH2-CG 3.42Å; W55-W236 HydrophobicContact CZ2-CB 3.6Å; W55-W236 HydrophobicContact CZ2-CD2 4.37Å; W55-W236 AromaticContact CZ2-CG 3.76Å; W55-W236 HydrophobicContact CZ2-CG 3.76Å; W55-W236 HydrophobicContact CZ3-CB 4.22Å; W55-W236 HydrophobicContact CZ3-CG 4.49Å
56Q98.6Very high94Very high6 Ų628.6 Ų28.63%0.02819%0.186CC..EExtended strand (participates in β ladder)trans-60.6130.2-178.1179.96654.500110.3W53 G68 T166 W168 L183W53-Q56 HydrophobicContact CB-CB 4.26Å; W53-Q56 VanDerWaalsContact O-CB 3.3Å; W53-Q56 WeakPolarHBondContact O-CB 3.17Å; W53-Q56 PolarHBondContact O-N 3.26Å; Q56-G68 PolarHBondContact NE2-O 2.89Å; Q56-T166 PolarHBondContact OE1-O 3.39Å; Q56-T166 PolarHBondContact OE1-OG1 3.14Å; Q56-W168 HydrophobicContact CG-CE3 4.47Å; Q56-W168 HydrophobicContact CG-CH2 3.49Å; Q56-W168 VanDerWaalsContact CG-CH2 3.49Å; Q56-W168 HydrophobicContact CG-CZ3 3.46Å; Q56-W168 VanDerWaalsContact CG-CZ3 3.46Å; Q56-L183 HydrophobicContact CB-CD2 4.27Å; Q56-L183 HydrophobicContact CG-CD1 3.85Å; Q56-L183 HydrophobicContact CG-CD2 4.06Å
57V98.6Very high94.7Very high0 Ų026.9 Ų26.90%018%0.179CC..EExtended strand (participates in β ladder)trans-115141.7176.1167.10000109.9W55 L59 G67 G68 L70 V76 V93 Y94 L95W55-V57 PolarHBondContact O-N 3.15Å; V57-L59 HydrophobicContact CG1-CD2 3.64Å; V57-L59 HydrophobicContact CG1-CG 4.18Å; V57-G67 WeakPolarHBondContact O-CA 3.26Å; V57-G68 PolarHBondContact N-O 3.08Å; V57-G68 PolarHBondContact O-N 3.26Å; V57-G68 VanDerWaalsContact O-N 3.11Å; V57-L70 HydrophobicContact CG2-CB 4.44Å; V57-V76 HydrophobicContact CB-CG1 4.26Å; V57-V76 HydrophobicContact CG1-CG1 4.1Å; V57-V76 HydrophobicContact CG2-CG1 4.1Å; V57-V76 HydrophobicContact CG2-CG2 3.98Å; V57-V93 HydrophobicContact CG1-CG1 3.57Å; V57-V93 HydrophobicContact CG2-CG1 4.41Å; V57-Y94 WeakPolarHBondContact CA-O 3.39Å; V57-L95 HydrophobicContact CG2-CD2 4.19Å; V57-L95 HydrophobicContact CG2-CG 4.29Å
58S98.3Very high95.1Very high0 Ų022.5 Ų22.50%016%0.155CC..EExtended strand (participates in β ladder)trans-108.7120.6167.4-171.30000109.4H60 H64 Y94 Q100S58-H60 PolarHBondContact OG-CD2 2.85Å; S58-H60 PolarHBondContact OG-NE2 3.4Å; S58-H64 PolarHBondContact OG-ND1 2.74Å; S58-Y94 PolarHBondContact N-O 3.23Å; S58-Y94 PolarHBondContact O-N 2.96Å; S58-Q100 PolarHBondContact OG-NE2 2.85Å; S58-Q100 VanDerWaalsContact OG-NE2 3.09Å
59L97.3Very high95.4Very high0 Ų022.4 Ų22.40%015%0.154CC..EExtended strand (participates in β ladder)trans-96128.2177.6-57.5178.2000110.2V57 H64 F65 C66 G67 F83 L91 V93 L133V57-L59 HydrophobicContact CG1-CD2 3.64Å; V57-L59 HydrophobicContact CG1-CG 4.18Å; L59-H64 WeakPolarHBondContact O-CA 3.24Å; L59-F65 HydrophobicContact CB-CD1 4.39Å; L59-F65 HydrophobicContact CB-CE1 3.74Å; L59-F65 HydrophobicContact CB-CE2 4.43Å; L59-F65 HydrophobicContact CB-CZ 3.76Å; L59-F65 HydrophobicContact CD1-CZ 4.45Å; L59-F65 WeakPolarHBondContact O-CD1 3.47Å; L59-F65 PolarHBondContact O-N 3.4Å; L59-C66 HydrophobicContact CB-CB 4.39Å; L59-C66 VanDerWaalsContact CB-O 3.3Å; L59-C66 WeakPolarHBondContact CB-O 3.49Å; L59-C66 HydrophobicContact CD1-CB 4.02Å; L59-C66 PolarHBondContact N-O 2.97Å; L59-G67 WeakPolarHBondContact CD1-O 3.47Å; L59-F83 HydrophobicContact CD1-CE1 4.17Å; L59-F83 HydrophobicContact CD1-CZ 3.63Å; L59-L91 HydrophobicContact CB-CD1 4.33Å; L59-V93 HydrophobicContact CD2-CG2 3.8Å; L59-L133 HydrophobicContact CD1-CD2 4.24Å; L59-L133 HydrophobicContact CD2-CD2 3.71Å
60H95.1Very high95.7Very high18 Ų1819.5 Ų19.58%0.08314%0.135CC..EExtended strand (participates in β ladder)trans-125.2139.5-175.8-72.2-129.7000112.3S58 S63 H64 L91 I92 Y94 Q100S58-H60 PolarHBondContact OG-CD2 2.85Å; S58-H60 PolarHBondContact OG-NE2 3.4Å; H60-S63 VanDerWaalsContact CA-O 3.26Å; H60-S63 WeakPolarHBondContact CA-O 3.16Å; H60-H64 PolarHBondContact ND1-N 3.3Å; H60-L91 WeakPolarHBondContact O-CA 3.49Å; H60-I92 PolarHBondContact N-O 3.38Å; H60-I92 PolarHBondContact O-N 3Å; H60-Y94 HydrophobicContact CB-CD2 4.17Å; H60-Y94 HydrophobicContact CB-CE2 3.77Å; H60-Y94 AromaticContact CD2-CD2 3.36Å; H60-Y94 WeakPolarHBondContact CD2-CD2 3.5Å; H60-Y94 AromaticContact CD2-CE2 3.69Å; H60-Y94 AromaticContact CG-CD2 3.7Å; H60-Y94 AromaticContact CG-CE2 3.5Å; H60-Y94 AromaticContact ND1-CE2 3.77Å; H60-Y94 AromaticContact NE2-CD2 3.69Å; H60-Q100 PolarHBondContact CE1-OE1 3.37Å; H60-Q100 PolarHBondContact NE2-OE1 3.39Å
61Q90.9Very high95.9Very high63 Ų6317.6 Ų17.629%0.29412%0.119SC..SBendtrans-135.189.9161-171.3-177.658.300106.7S63 F65 F86 V87 N90Q61-S63 PolarHBondContact N-O 3.47Å; Q61-S63 PolarHBondContact O-N 3.28Å; Q61-F65 HydrophobicContact CB-CD1 4.2Å; Q61-F65 HydrophobicContact CB-CE1 4.15Å; Q61-F86 HydrophobicContact CB-CD1 4.49Å; Q61-F86 HydrophobicContact CB-CE1 4.44Å; Q61-F86 VanDerWaalsContact OE1-CD1 3.23Å; Q61-V87 PolarHBondContact NE2-O 2.86Å; Q61-N90 HydrophobicContact CG-CB 3.92Å
62G89.9Confident96Very high91 Ų9116.9 Ų16.994%0.93811%0.112SC*.SBendtrans75.8-51.1-166.200000113
63S90.9Very high96Very high79 Ų7919.6 Ų19.655%0.55213%0.125SC*.SBendtrans-133.3167.3173.561.90000111.4H60 Q61 F65H60-S63 VanDerWaalsContact CA-O 3.26Å; H60-S63 WeakPolarHBondContact CA-O 3.16Å; Q61-S63 PolarHBondContact N-O 3.47Å; Q61-S63 PolarHBondContact O-N 3.28Å; S63-F65 PolarHBondContact O-N 2.8Å
64H93Very high95.9Very high35 Ų3521.4 Ų21.416%0.16213%0.134CC..EExtended strand (participates in β ladder)trans-55.8133.5169.8174.873.6000110.1S58 L59 H60 C66 G222S58-H64 PolarHBondContact OG-ND1 2.74Å; L59-H64 WeakPolarHBondContact O-CA 3.24Å; H60-H64 PolarHBondContact ND1-N 3.3Å; H64-C66 PolarHBondContact CE1-O 3.34Å; H64-C66 PolarHBondContact ND1-O 3.22Å; H64-G222 PolarHBondContact NE2-O 2.71Å
65F91.9Very high95.9Very high43 Ų4321.4 Ų21.419%0.18913%0.133CC..EExtended strand (participates in β ladder)trans-135.5-27.4178.273.1-90.4000113.9L59 Q61 S63 C82 F83 F86 L91L59-F65 HydrophobicContact CB-CD1 4.39Å; L59-F65 HydrophobicContact CB-CE1 3.74Å; L59-F65 HydrophobicContact CB-CE2 4.43Å; L59-F65 HydrophobicContact CB-CZ 3.76Å; L59-F65 HydrophobicContact CD1-CZ 4.45Å; L59-F65 WeakPolarHBondContact O-CD1 3.47Å; L59-F65 PolarHBondContact O-N 3.4Å; Q61-F65 HydrophobicContact CB-CD1 4.2Å; Q61-F65 HydrophobicContact CB-CE1 4.15Å; S63-F65 PolarHBondContact O-N 2.8Å; F65-C82 HydrophobicContact CE2-CB 4.13Å; F65-C82 WeakPolarHBondContact CE2-O 3.24Å; F65-F83 HydrophobicContact CE2-CE1 4.46Å; F65-F83 HydrophobicContact CZ-CE1 4.2Å; F65-F86 HydrophobicContact CD1-CE1 4.3Å; F65-F86 AromaticContact CD2-CE1 3.86Å; F65-F86 HydrophobicContact CD2-CE1 3.86Å; F65-F86 AromaticContact CD2-CZ 3.67Å; F65-F86 HydrophobicContact CD2-CZ 3.67Å; F65-F86 HydrophobicContact CE1-CE1 4.23Å; F65-F86 HydrophobicContact CE2-CD1 4.37Å; F65-F86 AromaticContact CE2-CE1 3.78Å; F65-F86 HydrophobicContact CE2-CE1 3.78Å; F65-F86 HydrophobicContact CE2-CE2 4.38Å; F65-F86 AromaticContact CE2-CZ 3.77Å; F65-F86 HydrophobicContact CE2-CZ 3.77Å; F65-F86 HydrophobicContact CG-CE1 4.13Å; F65-F86 HydrophobicContact CG-CZ 4.26Å; F65-F86 HydrophobicContact CZ-CD1 4.26Å; F65-F86 AromaticContact CZ-CE1 3.98Å; F65-F86 HydrophobicContact CZ-CE1 3.98Å; F65-F86 HydrophobicContact CZ-CZ 4.42Å; F65-L91 HydrophobicContact CE1-CD1 3.57Å; F65-L91 HydrophobicContact CZ-CD1 3.63Å
66C95.4Very high95.9Very high6 Ų621.3 Ų21.34%0.04113%0.133CC..EExtended strand (participates in β ladder)trans-148.1160.2176.1-82.80000110.8L59 H64 C82 S224L59-C66 HydrophobicContact CB-CB 4.39Å; L59-C66 VanDerWaalsContact CB-O 3.3Å; L59-C66 WeakPolarHBondContact CB-O 3.49Å; L59-C66 HydrophobicContact CD1-CB 4.02Å; L59-C66 PolarHBondContact N-O 2.97Å; H64-C66 PolarHBondContact CE1-O 3.34Å; H64-C66 PolarHBondContact ND1-O 3.22Å; C66-C82 HydrophobicContact CB-CB 3.88Å; C66-C82 WeakPolarHBondContact CB-SG 3.29Å; C66-C82 WeakPolarHBondContact SG-CB 3.26Å; C66-C82 CovalentContact SG-SG 2.05Å; C66-C82 PolarHBondContact SG-SG 3.3Å; C66-S224 CarbonylContact C-O 3.52Å; C66-S224 WeakPolarHBondContact CA-O 3.46Å; C66-S224 VanDerWaalsContact CB-O 3.25Å; C66-S224 WeakPolarHBondContact CB-O 2.98Å
67G97.4Very high95.9Very high1 Ų121 Ų211%0.0113%0.132CC..EExtended strand (participates in β ladder)trans-88.7178.9165.800000113.4V57 L59 S78 S224 G225V57-G67 WeakPolarHBondContact O-CA 3.26Å; L59-G67 WeakPolarHBondContact CD1-O 3.47Å; G67-S78 PolarHBondContact O-OG 3.14Å; G67-S224 PolarHBondContact N-O 2.68Å; G67-G225 CarbonylContact O-C 3.58Å
68G98.4Very high95.9Very high0 Ų021 Ų210%013%0.132CC..EExtended strand (participates in β ladder)trans-167.6-177.2173.400000110.5Q56 V57 L77 G225Q56-G68 PolarHBondContact NE2-O 2.89Å; V57-G68 PolarHBondContact N-O 3.08Å; V57-G68 PolarHBondContact O-N 3.26Å; V57-G68 VanDerWaalsContact O-N 3.11Å; G68-L77 CarbonylContact C-O 3.56Å; G68-L77 VanDerWaalsContact CA-O 3.31Å; G68-L77 WeakPolarHBondContact CA-O 3.48Å; G68-G225 WeakPolarHBondContact CA-O 3.47Å
69S98.8Very high95.9Very high0 Ų021 Ų210%013%0.132CC..EExtended strand (participates in β ladder)trans-139.3129.917843.90000110.8W55 I71 V76 L77 Q238W55-S69 CarbonylContact O-C 3.56Å; W55-S69 VanDerWaalsContact O-CA 3.27Å; W55-S69 WeakPolarHBondContact O-CA 3.1Å; S69-I71 PolarHBondContact O-N 2.99Å; S69-V76 CarbonylContact O-C 3.42Å; S69-V76 VanDerWaalsContact O-CA 3.24Å; S69-V76 WeakPolarHBondContact O-CA 3.4Å; S69-L77 PolarHBondContact N-O 3.07Å; S69-L77 PolarHBondContact O-N 2.93Å; S69-L77 PolarHBondContact OG-O 2.06Å; S69-L77 VanDerWaalsContact OG-O 3.12Å; S69-Q238 PolarHBondContact OG-NE2 3.07Å; S69-Q238 VanDerWaalsContact OG-NE2 3.11Å; S69-Q238 PolarHBondContact OG-OE1 3.48Å
70L98.6Very high95.9Very high0 Ų021 Ų210%013%0.132CC..EExtended strand (participates in β ladder)trans-68.8125.9171-170.667000109W55 V57 S72 V76 L95 L135 V139 F141 I145 P147 V148W55-L70 HydrophobicContact CB-CB 4.45Å; W55-L70 PolarHBondContact O-N 2.83Å; V57-L70 HydrophobicContact CG2-CB 4.44Å; L70-S72 WeakPolarHBondContact CD1-O 3.39Å; L70-S72 WeakPolarHBondContact CG-O 3.26Å; L70-V76 HydrophobicContact CD1-CG2 4.12Å; L70-L95 HydrophobicContact CB-CD2 4.28Å; L70-L95 HydrophobicContact CD1-CD2 3.67Å; L70-L95 HydrophobicContact CD2-CD2 3.85Å; L70-L95 HydrophobicContact CG-CD2 4.15Å; L70-L135 HydrophobicContact CD1-CD1 4.38Å; L70-V139 HydrophobicContact CD1-CG2 4.13Å; L70-V139 HydrophobicContact CD2-CG2 3.79Å; L70-F141 HydrophobicContact CD2-CE1 4.17Å; L70-I145 HydrophobicContact CD2-CG2 3.72Å; L70-P147 CarbonylContact O-C 3.43Å; L70-P147 WeakPolarHBondContact O-CA 3.32Å; L70-V148 PolarHBondContact O-N 3.3Å
71I98Very high95.9Very high2 Ų222 Ų221%0.0114%0.136CC..  trans-116.6-17.2-178.461.6165.4000113S69 W75 L77 L132 V148 L150 I267 L271 L276S69-I71 PolarHBondContact O-N 2.99Å; I71-W75 HydrophobicContact CD1-CB 4.12Å; I71-W75 HydrophobicContact CG1-CB 3.78Å; I71-W75 VanDerWaalsContact CG1-O 3.29Å; I71-W75 WeakPolarHBondContact CG1-O 3.46Å; I71-W75 PolarHBondContact N-O 2.89Å; I71-L77 HydrophobicContact CD1-CB 4.29Å; I71-L77 HydrophobicContact CG2-CB 3.61Å; I71-L77 HydrophobicContact CG2-CD2 4.33Å; I71-L132 HydrophobicContact CD1-CD2 3.6Å; I71-V148 HydrophobicContact CG2-CG1 4.28Å; I71-L150 HydrophobicContact CB-CD1 4.29Å; I71-L150 HydrophobicContact CD1-CD1 4.27Å; I71-L150 HydrophobicContact CG2-CD1 4.23Å; I71-L150 HydrophobicContact CG2-CD2 3.74Å; I71-L150 HydrophobicContact CG2-CG 4.21Å; I71-I267 HydrophobicContact CD1-CG2 4.36Å; I71-L271 HydrophobicContact CD1-CD1 4.4Å; I71-L271 HydrophobicContact CD1-CD2 4.25Å; I71-L276 HydrophobicContact CB-CD2 4.28Å; I71-L276 HydrophobicContact CD1-CD2 4.05Å; I71-L276 HydrophobicContact CG1-CD2 4.24Å
72S96Very high96.1Very high0 Ų019.1 Ų19.10%012%0.123CC..SBendtrans-152-171.416982.10000109.8L70 Q74 W75L70-S72 WeakPolarHBondContact CD1-O 3.39Å; L70-S72 WeakPolarHBondContact CG-O 3.26Å; S72-Q74 PolarHBondContact O-N 2.82Å; S72-Q74 PolarHBondContact OG-N 2.67Å; S72-W75 PolarHBondContact N-O 3.19Å; S72-W75 WeakPolarHBondContact OG-CB 3.42Å; S72-W75 VanDerWaalsContact OG-CD1 3.3Å; S72-W75 PolarHBondContact OG-N 3.37Å
73H95Very high96.2Very high56 Ų5615.8 Ų15.826%0.2598%0.082SC..SBendtrans-70.2-13.4177.561.5-85.9000113.6A138 V139 F141 D274H73-A138 CarbonylContact O-C 3.58Å; H73-A138 VanDerWaalsContact O-CA 3.29Å; H73-A138 WeakPolarHBondContact O-CA 3.46Å; H73-V139 WeakPolarHBondContact O-CG2 3.49Å; H73-V139 PolarHBondContact O-N 3Å; H73-F141 HydrophobicContact CB-CE1 3.97Å; H73-F141 HydrophobicContact CB-CZ 3.71Å; H73-D274 IonicContact CE1-OD1 3.05Å; H73-D274 PolarHBondContact CE1-OD1 2.62Å
74Q95.9Very high95.7Very high46 Ų4616.5 Ų16.522%0.2158%0.077CC..SBendtrans-136.48.4-177.5-156.5175.4-15.200113.7S72 Q134 L135S72-Q74 PolarHBondContact O-N 2.82Å; S72-Q74 PolarHBondContact OG-N 2.67Å; Q74-Q134 HydrophobicContact CG-CG 4.4Å; Q74-L135 HydrophobicContact CG-CB 4.03Å; Q74-L135 VanDerWaalsContact CG-O 3.29Å; Q74-L135 WeakPolarHBondContact CG-O 3.23Å; Q74-L135 PolarHBondContact NE2-O 3.08Å; Q74-L135 PolarHBondContact O-N 2.78Å
75W97.8Very high94.6Very high2 Ų226.1 Ų26.11%0.00811%0.112CC..EExtended strand (participates in β ladder)trans-132.8135.7-174.1-69.391.3000112.8I71 S72 I116 L132 L133 Q134 L271 D274I71-W75 HydrophobicContact CD1-CB 4.12Å; I71-W75 HydrophobicContact CG1-CB 3.78Å; I71-W75 VanDerWaalsContact CG1-O 3.29Å; I71-W75 WeakPolarHBondContact CG1-O 3.46Å; I71-W75 PolarHBondContact N-O 2.89Å; S72-W75 PolarHBondContact N-O 3.19Å; S72-W75 WeakPolarHBondContact OG-CB 3.42Å; S72-W75 VanDerWaalsContact OG-CD1 3.3Å; S72-W75 PolarHBondContact OG-N 3.37Å; W75-I116 HydrophobicContact CH2-CD1 4.01Å; W75-I116 HydrophobicContact CZ3-CD1 4.05Å; W75-L132 HydrophobicContact CE3-CB 4.1Å; W75-L132 HydrophobicContact CZ3-CB 3.93Å; W75-L133 WeakPolarHBondContact CA-O 3.4Å; W75-Q134 HydrophobicContact CD2-CB 4.26Å; W75-Q134 HydrophobicContact CD2-CG 4.27Å; W75-Q134 HydrophobicContact CE3-CB 3.96Å; W75-Q134 HydrophobicContact CE3-CG 4.46Å; W75-Q134 HydrophobicContact CH2-CB 3.99Å; W75-Q134 HydrophobicContact CH2-CG 4.29Å; W75-Q134 HydrophobicContact CZ2-CB 4.22Å; W75-Q134 HydrophobicContact CZ2-CG 4.01Å; W75-Q134 HydrophobicContact CZ3-CB 3.81Å; W75-Q134 HydrophobicContact CZ3-CG 4.46Å; W75-L271 HydrophobicContact CB-CD2 3.91Å; W75-L271 HydrophobicContact CD2-CD1 4.14Å; W75-L271 HydrophobicContact CD2-CD2 4.05Å; W75-L271 HydrophobicContact CD2-CG 3.75Å; W75-L271 HydrophobicContact CE3-CD1 4.21Å; W75-L271 HydrophobicContact CE3-CG 4.3Å; W75-L271 HydrophobicContact CG-CD1 4.46Å; W75-L271 HydrophobicContact CG-CD2 3.59Å; W75-L271 HydrophobicContact CG-CG 3.87Å; W75-L271 HydrophobicContact CZ2-CG 4.14Å; W75-L271 HydrophobicContact CZ3-CD1 4.48Å; W75-D274 VanDerWaalsContact CD1-OD2 3.25Å; W75-D274 PolarHBondContact NE1-OD2 3.35Å
76V98.6Very high93.5Very high0 Ų027.4 Ų27.40%012%0.118CC..EExtended strand (participates in β ladder)trans-118.8136.8175.5172.40000109.5V57 S69 L70 V93 L132 L133 L135V57-V76 HydrophobicContact CB-CG1 4.26Å; V57-V76 HydrophobicContact CG1-CG1 4.1Å; V57-V76 HydrophobicContact CG2-CG1 4.1Å; V57-V76 HydrophobicContact CG2-CG2 3.98Å; S69-V76 CarbonylContact O-C 3.42Å; S69-V76 VanDerWaalsContact O-CA 3.24Å; S69-V76 WeakPolarHBondContact O-CA 3.4Å; L70-V76 HydrophobicContact CD1-CG2 4.12Å; V76-V93 HydrophobicContact CG2-CG1 4.14Å; V76-L132 WeakPolarHBondContact O-CA 3.41Å; V76-L133 HydrophobicContact CB-CB 4.25Å; V76-L133 HydrophobicContact CG1-CD1 4.46Å; V76-L133 PolarHBondContact N-O 2.93Å; V76-L133 PolarHBondContact O-N 2.84Å; V76-L135 HydrophobicContact CG2-CD1 4.46Å; V76-L135 HydrophobicContact CG2-CD2 4.02Å; V76-L135 HydrophobicContact CG2-CG 4.47Å
77L98.8Very high92.4Very high0 Ų031.2 Ų31.20%014%0.141CC..EExtended strand (participates in β ladder)trans-99.9134171.8-175.270.3000109.7G68 S69 I71 V130 L132 L150 I241 V260 I267G68-L77 CarbonylContact C-O 3.56Å; G68-L77 VanDerWaalsContact CA-O 3.31Å; G68-L77 WeakPolarHBondContact CA-O 3.48Å; S69-L77 PolarHBondContact N-O 3.07Å; S69-L77 PolarHBondContact O-N 2.93Å; S69-L77 PolarHBondContact OG-O 2.06Å; S69-L77 VanDerWaalsContact OG-O 3.12Å; I71-L77 HydrophobicContact CD1-CB 4.29Å; I71-L77 HydrophobicContact CG2-CB 3.61Å; I71-L77 HydrophobicContact CG2-CD2 4.33Å; L77-V130 HydrophobicContact CD1-CG2 3.51Å; L77-L132 HydrophobicContact CD1-CD2 3.84Å; L77-L132 HydrophobicContact CD1-CG 4.49Å; L77-L150 HydrophobicContact CD2-CD2 3.69Å; L77-I241 HydrophobicContact CD1-CD1 4Å; L77-I241 HydrophobicContact CD2-CD1 3.85Å; L77-I241 HydrophobicContact CD2-CG1 4.19Å; L77-I241 HydrophobicContact CG-CD1 3.73Å; L77-I241 HydrophobicContact CG-CG1 4.35Å; L77-V260 HydrophobicContact CD2-CG2 4.33Å; L77-I267 HydrophobicContact CD1-CD1 4.03Å; L77-I267 HydrophobicContact CD2-CD1 4.49Å
78S98.6Very high91.5Very high0 Ų033.7 Ų33.70%016%0.156CC..EExtended strand (participates in β ladder)trans-151-171.4179.6-170.70000110.1G67 A131G67-S78 PolarHBondContact O-OG 3.14Å; S78-A131 PolarHBondContact N-O 3.1Å; S78-A131 PolarHBondContact O-N 2.89Å
79A97.9Very high90.5Very high0 Ų038.1 Ų38.10%019%0.186CC..  trans-92.1147.117900000111.3H81 C82 F83 I241A79-H81 WeakPolarHBondContact CB-ND1 3.12Å; A79-C82 WeakPolarHBondContact O-CB 3.26Å; A79-C82 PolarHBondContact O-N 3.47Å; A79-F83 WeakPolarHBondContact O-CD2 3.43Å; A79-F83 WeakPolarHBondContact O-CE2 3.25Å; A79-I241 HydrophobicContact CB-CG2 4.09Å
80A97.5Very high90Very high0 Ų042.6 Ų42.60%021%0.21CC..G310 helixtrans-69.4-35.717900000112.8C82 F83 T117 Y121 D129 A131A80-C82 PolarHBondContact O-N 2.93Å; A80-C82 VanDerWaalsContact O-N 3.13Å; A80-F83 PolarHBondContact O-N 3.08Å; A80-T117 HydrophobicContact CB-CG2 4Å; A80-Y121 HydrophobicContact CB-CD1 3.46Å; A80-Y121 VanDerWaalsContact CB-CD1 3.46Å; A80-Y121 HydrophobicContact CB-CD2 3.8Å; A80-Y121 HydrophobicContact CB-CE1 3.83Å; A80-Y121 HydrophobicContact CB-CE2 4.21Å; A80-Y121 HydrophobicContact CB-CG 3.46Å; A80-Y121 VanDerWaalsContact CB-CG 3.46Å; A80-D129 WeakPolarHBondContact CA-OD1 3.26Å; A80-D129 PolarHBondContact N-OD1 3.49Å; A80-A131 HydrophobicContact CB-CB 4.49Å
81H94.9Very high89.8Confident38 Ų3842.9 Ų42.918%0.17621%0.212CC..G310 helixtrans-60.7-24.4179.578.8-103000112.9A79 F83 Y121 D129 S224 S243A79-H81 WeakPolarHBondContact CB-ND1 3.12Å; H81-F83 PolarHBondContact O-N 2.87Å; H81-F83 VanDerWaalsContact O-N 3.13Å; H81-Y121 HydrophobicContact CB-CE1 4.43Å; H81-Y121 WeakPolarHBondContact CB-OH 3.36Å; H81-D129 IonicContact CE1-OD2 3.77Å; H81-D129 IonicContact CG-OD1 2.69Å; H81-D129 IonicContact CG-OD2 3.85Å; H81-D129 PolarHBondContact N-OD1 3.44Å; H81-D129 IonicContact ND1-OD1 3.94Å; H81-D129 PolarHBondContact ND1-OD1 2.94Å; H81-D129 IonicContact ND1-OD2 3.32Å; H81-D129 PolarHBondContact ND1-OD2 2.99Å; H81-S224 PolarHBondContact CE1-OG 3.26Å; H81-S224 WeakPolarHBondContact NE2-CB 3.44Å; H81-S224 PolarHBondContact NE2-OG 2.86Å; H81-S243 PolarHBondContact CE1-O 3.48Å; H81-S243 VanDerWaalsContact CE1-O 3.25Å
82C94.4Very high89.7Confident3 Ų344.8 Ų44.82%0.0222%0.222CC..G310 helixtrans-64.5-9.9174.1-69.70000113.6F65 C66 A79 A80 F86F65-C82 HydrophobicContact CE2-CB 4.13Å; F65-C82 WeakPolarHBondContact CE2-O 3.24Å; C66-C82 HydrophobicContact CB-CB 3.88Å; C66-C82 WeakPolarHBondContact CB-SG 3.29Å; C66-C82 WeakPolarHBondContact SG-CB 3.26Å; C66-C82 CovalentContact SG-SG 2.05Å; C66-C82 PolarHBondContact SG-SG 3.3Å; A79-C82 WeakPolarHBondContact O-CB 3.26Å; A79-C82 PolarHBondContact O-N 3.47Å; A80-C82 PolarHBondContact O-N 2.93Å; A80-C82 VanDerWaalsContact O-N 3.13Å; C82-F86 WeakPolarHBondContact O-CD2 3.08Å; C82-F86 WeakPolarHBondContact O-CE2 3.36Å
83F92.7Very high89.8Confident20 Ų2044.8 Ų44.89%0.08822%0.222CC..G310 helixtrans-127.52.6-169.1-55.2-68.9000115.8L59 F65 A79 A80 H81 R85 F86 L91 V115 T117 A131 L133L59-F83 HydrophobicContact CD1-CE1 4.17Å; L59-F83 HydrophobicContact CD1-CZ 3.63Å; F65-F83 HydrophobicContact CE2-CE1 4.46Å; F65-F83 HydrophobicContact CZ-CE1 4.2Å; A79-F83 WeakPolarHBondContact O-CD2 3.43Å; A79-F83 WeakPolarHBondContact O-CE2 3.25Å; A80-F83 PolarHBondContact O-N 3.08Å; H81-F83 PolarHBondContact O-N 2.87Å; H81-F83 VanDerWaalsContact O-N 3.13Å; F83-R85 PolarHBondContact O-N 2.86Å; F83-R85 VanDerWaalsContact O-N 3.1Å; F83-F86 PolarHBondContact O-N 3.31Å; F83-L91 HydrophobicContact CD1-CD2 4.43Å; F83-L91 HydrophobicContact CE1-CD2 3.9Å; F83-V115 HydrophobicContact CB-CG1 3.99Å; F83-V115 HydrophobicContact CD1-CG1 3.93Å; F83-V115 HydrophobicContact CD1-CG2 4.41Å; F83-V115 HydrophobicContact CD2-CG1 3.82Å; F83-V115 HydrophobicContact CE1-CG1 4.41Å; F83-V115 HydrophobicContact CE2-CG1 4.32Å; F83-V115 HydrophobicContact CG-CG1 3.61Å; F83-T117 HydrophobicContact CB-CG2 4.25Å; F83-A131 HydrophobicContact CD2-CB 3.69Å; F83-A131 HydrophobicContact CE2-CB 3.73Å; F83-L133 HydrophobicContact CE1-CD2 4.04Å; F83-L133 HydrophobicContact CE1-CG 4.45Å; F83-L133 HydrophobicContact CE2-CD1 3.87Å; F83-L133 HydrophobicContact CZ-CD1 3.63Å; F83-L133 HydrophobicContact CZ-CD2 3.79Å; F83-L133 HydrophobicContact CZ-CG 4.01Å
84Q79.6Confident90Very high95 Ų9544.6 Ų44.644%0.44422%0.219SC..THydrogen-bonded Turntrans-62.6-22.4-173.7-69.7179.4-39.200115.7Y121 D123Q84-Y121 HydrophobicContact CG-CE1 3.94Å; Q84-Y121 PolarHBondContact NE2-OH 3.26Å; Q84-D123 VanDerWaalsContact CD-OD1 3.3Å; Q84-D123 PolarHBondContact NE2-OD1 2.95Å; Q84-D123 PolarHBondContact OE1-OD1 3.35Å; Q84-D123 VanDerWaalsContact OE1-OD1 3.06Å
85R69.9Low90.1Very high236 Ų23642.5 Ų42.589%0.89121%0.209SC*.THydrogen-bonded Turntrans-132.528.6-177.1-61.4-171.9-180-174.11.1113.2F83F83-R85 PolarHBondContact O-N 2.86Å; F83-R85 VanDerWaalsContact O-N 3.1Å
86F70.3Confident90.1Very high71 Ų7143 Ų4331%0.31122%0.215SC..  trans-107.4139.2-170-73.6-95.6000113.3Q61 F65 C82 F83Q61-F86 HydrophobicContact CB-CD1 4.49Å; Q61-F86 HydrophobicContact CB-CE1 4.44Å; Q61-F86 VanDerWaalsContact OE1-CD1 3.23Å; F65-F86 HydrophobicContact CD1-CE1 4.3Å; F65-F86 AromaticContact CD2-CE1 3.86Å; F65-F86 HydrophobicContact CD2-CE1 3.86Å; F65-F86 AromaticContact CD2-CZ 3.67Å; F65-F86 HydrophobicContact CD2-CZ 3.67Å; F65-F86 HydrophobicContact CE1-CE1 4.23Å; F65-F86 HydrophobicContact CE2-CD1 4.37Å; F65-F86 AromaticContact CE2-CE1 3.78Å; F65-F86 HydrophobicContact CE2-CE1 3.78Å; F65-F86 HydrophobicContact CE2-CE2 4.38Å; F65-F86 AromaticContact CE2-CZ 3.77Å; F65-F86 HydrophobicContact CE2-CZ 3.77Å; F65-F86 HydrophobicContact CG-CE1 4.13Å; F65-F86 HydrophobicContact CG-CZ 4.26Å; F65-F86 HydrophobicContact CZ-CD1 4.26Å; F65-F86 AromaticContact CZ-CE1 3.98Å; F65-F86 HydrophobicContact CZ-CE1 3.98Å; F65-F86 HydrophobicContact CZ-CZ 4.42Å; C82-F86 WeakPolarHBondContact O-CD2 3.08Å; C82-F86 WeakPolarHBondContact O-CE2 3.36Å; F83-F86 PolarHBondContact O-N 3.31Å
87V72.1Confident90.1Very high86 Ų8644.6 Ų44.652%0.52122%0.221SC..  trans-89.7112.5168-172.20000108.5Q61 S89 N90Q61-V87 PolarHBondContact NE2-O 2.86Å; V87-S89 VanDerWaalsContact CG1-OG 3.31Å; V87-S89 WeakPolarHBondContact CG1-OG 3.47Å; V87-S89 PolarHBondContact O-N 3.17Å; V87-S89 VanDerWaalsContact O-N 3.14Å; V87-N90 PolarHBondContact O-N 2.94Å
88T77Confident89.9Confident53 Ų5347.1 Ų47.133%0.32523%0.233SC..G310 helixtrans-57-30.1-175.9-46.20000113.3N90 L91 V112 V115T88-N90 PolarHBondContact O-N 3.42Å; T88-N90 VanDerWaalsContact O-N 3.1Å; T88-L91 WeakPolarHBondContact O-CB 3.34Å; T88-L91 PolarHBondContact O-N 2.69Å; T88-L91 VanDerWaalsContact O-N 3.1Å; T88-V112 HydrophobicContact CG2-CB 4.32Å; T88-V112 HydrophobicContact CG2-CG1 4.1Å; T88-V115 HydrophobicContact CG2-CG2 4.03Å
89S78.7Confident89.8Confident92 Ų9247.5 Ų47.564%0.64324%0.235SC*.G310 helixtrans-61.5-22-176.965.10000114.6V87V87-S89 VanDerWaalsContact CG1-OG 3.31Å; V87-S89 WeakPolarHBondContact CG1-OG 3.47Å; V87-S89 PolarHBondContact O-N 3.17Å; V87-S89 VanDerWaalsContact O-N 3.14Å
90N86.9Confident89.7Confident95 Ų9549.1 Ų49.151%0.50824%0.243SC..G310 helixtrans-103.83.4-177.8-63-9.4000112.7Q61 V87 T88Q61-N90 HydrophobicContact CG-CB 3.92Å; V87-N90 PolarHBondContact O-N 2.94Å; T88-N90 PolarHBondContact O-N 3.42Å; T88-N90 VanDerWaalsContact O-N 3.1Å
91L94.2Very high89.4Confident6 Ų654 Ų543%0.03127%0.266CS..  trans-83.9120.1-176.7-176.858.1000110.5L59 H60 F65 F83 T88 V112 V115 L133L59-L91 HydrophobicContact CB-CD1 4.33Å; H60-L91 WeakPolarHBondContact O-CA 3.49Å; F65-L91 HydrophobicContact CE1-CD1 3.57Å; F65-L91 HydrophobicContact CZ-CD1 3.63Å; F83-L91 HydrophobicContact CD1-CD2 4.43Å; F83-L91 HydrophobicContact CE1-CD2 3.9Å; T88-L91 WeakPolarHBondContact O-CB 3.34Å; T88-L91 PolarHBondContact O-N 2.69Å; T88-L91 VanDerWaalsContact O-N 3.1Å; L91-V112 HydrophobicContact CB-CG2 4.33Å; L91-V112 HydrophobicContact CD2-CB 4.12Å; L91-V112 HydrophobicContact CD2-CG1 4.28Å; L91-V112 HydrophobicContact CD2-CG2 3.74Å; L91-V112 HydrophobicContact CG-CB 4.37Å; L91-V112 HydrophobicContact CG-CG2 3.76Å; L91-V115 HydrophobicContact CD2-CG2 3.95Å; L91-L133 HydrophobicContact CD2-CD2 3.81Å
92I97.1Very high89.3Confident42 Ų4254.6 Ų54.622%0.21527%0.274CS..EExtended strand (participates in β ladder)trans-114.3130.7173.9-53.5-61.8000109.1H60 Y94 K111H60-I92 PolarHBondContact N-O 3.38Å; H60-I92 PolarHBondContact O-N 3Å; I92-Y94 HydrophobicContact CB-CE2 3.95Å; I92-Y94 HydrophobicContact CG2-CD2 3.93Å; I92-Y94 HydrophobicContact CG2-CE1 4.23Å; I92-Y94 HydrophobicContact CG2-CE2 3.46Å; I92-Y94 VanDerWaalsContact CG2-CE2 3.46Å; I92-Y94 HydrophobicContact CG2-CG 4.49Å; I92-K111 HydrophobicContact CD1-CG 3.92Å
93V98.3Very high89.3Confident0 Ų062 Ų620%031%0.313CS..EExtended strand (participates in β ladder)trans-98.5124.5174.1175.40000107.7V57 L59 V76 L95 S109 R110 V112 L133 L135V57-V93 HydrophobicContact CG1-CG1 3.57Å; V57-V93 HydrophobicContact CG2-CG1 4.41Å; L59-V93 HydrophobicContact CD2-CG2 3.8Å; V76-V93 HydrophobicContact CG2-CG1 4.14Å; V93-L95 HydrophobicContact CG1-CD1 3.86Å; V93-L95 HydrophobicContact CG1-CG 4.17Å; V93-S109 CarbonylContact O-C 3.57Å; V93-S109 VanDerWaalsContact O-CA 3.23Å; V93-S109 WeakPolarHBondContact O-CA 3.31Å; V93-R110 PolarHBondContact N-O 2.83Å; V93-R110 PolarHBondContact O-N 2.8Å; V93-V112 HydrophobicContact CG2-CG2 3.42Å; V93-V112 VanDerWaalsContact CG2-CG2 3.42Å; V93-L133 HydrophobicContact CG2-CD2 4.31Å; V93-L135 HydrophobicContact CB-CD2 3.97Å; V93-L135 HydrophobicContact CG1-CD2 3.9Å; V93-L135 HydrophobicContact CG2-CD2 3.78Å
94Y98.5Very high89.5Confident51 Ų5161.9 Ų61.920%0.231%0.313CS..EExtended strand (participates in β ladder)trans-109.4134.2172.2-66.2-89.5000110.8V57 S58 H60 I92 E107 E108V57-Y94 WeakPolarHBondContact CA-O 3.39Å; S58-Y94 PolarHBondContact N-O 3.23Å; S58-Y94 PolarHBondContact O-N 2.96Å; H60-Y94 HydrophobicContact CB-CD2 4.17Å; H60-Y94 HydrophobicContact CB-CE2 3.77Å; H60-Y94 AromaticContact CD2-CD2 3.36Å; H60-Y94 WeakPolarHBondContact CD2-CD2 3.5Å; H60-Y94 AromaticContact CD2-CE2 3.69Å; H60-Y94 AromaticContact CG-CD2 3.7Å; H60-Y94 AromaticContact CG-CE2 3.5Å; H60-Y94 AromaticContact ND1-CE2 3.77Å; H60-Y94 AromaticContact NE2-CD2 3.69Å; I92-Y94 HydrophobicContact CB-CE2 3.95Å; I92-Y94 HydrophobicContact CG2-CD2 3.93Å; I92-Y94 HydrophobicContact CG2-CE1 4.23Å; I92-Y94 HydrophobicContact CG2-CE2 3.46Å; I92-Y94 VanDerWaalsContact CG2-CE2 3.46Å; I92-Y94 HydrophobicContact CG2-CG 4.49Å; Y94-E107 VanDerWaalsContact CD1-CD 3.48Å; Y94-E107 HydrophobicContact CD1-CG 3.86Å; Y94-E107 WeakPolarHBondContact CD1-OE1 3.31Å; Y94-E107 VanDerWaalsContact CE1-OE1 3.23Å; Y94-E107 WeakPolarHBondContact CE1-OE1 3.36Å; Y94-E108 WeakPolarHBondContact CA-O 3.45Å
95L98.6Very high90.3Very high2 Ų262.2 Ų62.21%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-126.6150.6180-49.397.7000109V57 L70 V93 R97 E107 E108 R110 V139 I145V57-L95 HydrophobicContact CG2-CD2 4.19Å; V57-L95 HydrophobicContact CG2-CG 4.29Å; L70-L95 HydrophobicContact CB-CD2 4.28Å; L70-L95 HydrophobicContact CD1-CD2 3.67Å; L70-L95 HydrophobicContact CD2-CD2 3.85Å; L70-L95 HydrophobicContact CG-CD2 4.15Å; V93-L95 HydrophobicContact CG1-CD1 3.86Å; V93-L95 HydrophobicContact CG1-CG 4.17Å; L95-R97 PolarHBondContact O-N 3.1Å; L95-R97 VanDerWaalsContact O-N 3.1Å; L95-E107 CarbonylContact O-C 3.38Å; L95-E107 VanDerWaalsContact O-CA 3.25Å; L95-E107 WeakPolarHBondContact O-CA 3.49Å; L95-E108 PolarHBondContact N-O 2.95Å; L95-E108 PolarHBondContact O-N 3.2Å; L95-R110 HydrophobicContact CD1-CG 4.32Å; L95-V139 HydrophobicContact CD1-CG1 3.92Å; L95-V139 HydrophobicContact CD2-CG1 4.11Å; L95-V139 HydrophobicContact CD2-CG2 4.44Å; L95-I145 HydrophobicContact CB-CD1 4.01Å; L95-I145 HydrophobicContact CB-CG1 4.04Å; L95-I145 HydrophobicContact CB-CG2 4.15Å; L95-I145 HydrophobicContact CD2-CG2 4.08Å
96G97.9Very high91.6Very high13 Ų1354.8 Ų54.813%0.13430%0.298CS..SBendtrans65.78.5-17600000114.1
97R97.8Very high92.9Very high34 Ų3453.9 Ų53.913%0.12830%0.295CS..  trans-70.1134.9173.2173.6165.1-113121.724.4109.5L95 T99 N104 E107 W168L95-R97 PolarHBondContact O-N 3.1Å; L95-R97 VanDerWaalsContact O-N 3.1Å; R97-T99 WeakPolarHBondContact CG-O 3.29Å; R97-T99 PolarHBondContact NE-O 2.84Å; R97-T99 VanDerWaalsContact NE-O 3.08Å; R97-N104 PolarHBondContact NE-ND2 3.37Å; R97-E107 HydrophobicContact CB-CG 4.32Å; R97-E107 VanDerWaalsContact CB-OE2 3.29Å; R97-E107 WeakPolarHBondContact CB-OE2 3.25Å; R97-E107 WeakPolarHBondContact CG-OE2 3.2Å; R97-E107 VanDerWaalsContact CZ-CD 3.47Å; R97-E107 IonicContact CZ-OE1 2.91Å; R97-E107 IonicContact CZ-OE2 2.84Å; R97-E107 IonicContact NE-OE2 2.71Å; R97-E107 PolarHBondContact NE-OE2 3.31Å; R97-E107 IonicContact NH1-OE1 3.54Å; R97-E107 IonicContact NH1-OE2 3.49Å; R97-E107 VanDerWaalsContact NH2-CD 3.28Å; R97-E107 IonicContact NH2-OE1 3.55Å; R97-E107 PolarHBondContact NH2-OE1 3.32Å; R97-E107 IonicContact NH2-OE2 2.87Å; R97-E107 PolarHBondContact NH2-OE2 2.87Å; R97-W168 HydrophobicContact CB-CH2 4.41Å; R97-W168 HydrophobicContact CB-CZ2 4.37Å; R97-W168 HydrophobicContact CG-CH2 4.38Å; R97-W168 HydrophobicContact CG-CZ2 3.99Å; R97-W168 VanDerWaalsContact O-CZ2 3.32Å; R97-W168 WeakPolarHBondContact O-CZ2 3.49Å
98H95.8Very high94.2Very high53 Ų5352.1 Ų52.125%0.24528%0.281CS..  trans-109.2-37.7175.9-175.6-147.7000112.1A48 N104 W168 T182 L183A48-H98 PolarHBondContact O-NE2 3.44Å; H98-N104 PolarHBondContact N-OD1 3.03Å; H98-W168 PolarHBondContact O-NE1 3.04Å; H98-W168 VanDerWaalsContact O-NE1 3.17Å; H98-T182 VanDerWaalsContact NE2-CG2 3.29Å; H98-T182 WeakPolarHBondContact NE2-CG2 3.43Å; H98-L183 PolarHBondContact O-N 2.92Å
99T95.9Very high95.1Very high8 Ų852.7 Ų52.75%0.04929%0.287CS..BIsolated β-bridgetrans-129.1151.5-176.867.10000111.5R97 S102 N104 P180 Q181R97-T99 WeakPolarHBondContact CG-O 3.29Å; R97-T99 PolarHBondContact NE-O 2.84Å; R97-T99 VanDerWaalsContact NE-O 3.08Å; T99-S102 VanDerWaalsContact CB-OG 3.25Å; T99-S102 WeakPolarHBondContact CB-OG 3.44Å; T99-S102 WeakPolarHBondContact CG2-OG 3.49Å; T99-S102 PolarHBondContact OG1-N 2.85Å; T99-S102 PolarHBondContact OG1-O 3.24Å; T99-S102 PolarHBondContact OG1-OG 2.94Å; T99-N104 PolarHBondContact N-OD1 2.96Å; T99-N104 PolarHBondContact O-ND2 3.06Å; T99-N104 PolarHBondContact OG1-OD1 3.2Å; T99-P180 HydrophobicContact CG2-CB 4.33Å; T99-P180 HydrophobicContact CG2-CG 4.02Å; T99-Q181 WeakPolarHBondContact CA-O 3.24Å
100Q94.9Very high96.1Very high33 Ų3350 Ų5015%0.15426%0.263CS..SBendtrans-83.8-23.9174.9-61.7-67.2-27.200113.1S58 H60 W168 P180 Q181S58-Q100 PolarHBondContact OG-NE2 2.85Å; S58-Q100 VanDerWaalsContact OG-NE2 3.09Å; H60-Q100 PolarHBondContact CE1-OE1 3.37Å; H60-Q100 PolarHBondContact NE2-OE1 3.39Å; Q100-W168 HydrophobicContact CG-CB 4.09Å; Q100-W168 HydrophobicContact CG-CG 3.86Å; Q100-W168 VanDerWaalsContact NE2-CG 3.32Å; Q100-P180 PolarHBondContact N-O 2.78Å; Q100-Q181 HydrophobicContact CB-CB 3.87Å; Q100-Q181 HydrophobicContact CG-CB 4.17Å; Q100-Q181 PolarHBondContact N-O 2.87Å; Q100-Q181 VanDerWaalsContact N-O 3.12Å
101Q91.8Very high96.5Very high103 Ų10351.5 Ų51.548%0.48127%0.265SS..SBendtrans-123.16.8-168.3-60.3-177.2-41.300114.8F179 P180 Q181Q101-F179 HydrophobicContact CB-CD2 4.18Å; Q101-F179 HydrophobicContact CB-CE2 4.2Å; Q101-P180 PolarHBondContact N-O 2.86Å; Q101-Q181 HydrophobicContact CG-CG 4.19Å
102S92.7Very high96.6Very high50 Ų5051.8 Ų51.835%0.3527%0.267SS..SBendtrans-131.5172.817552.40000112.7T99 N104 P180T99-S102 VanDerWaalsContact CB-OG 3.25Å; T99-S102 WeakPolarHBondContact CB-OG 3.44Å; T99-S102 WeakPolarHBondContact CG2-OG 3.49Å; T99-S102 PolarHBondContact OG1-N 2.85Å; T99-S102 PolarHBondContact OG1-O 3.24Å; T99-S102 PolarHBondContact OG1-OG 2.94Å; S102-N104 PolarHBondContact O-N 2.85Å; S102-N104 PolarHBondContact O-ND2 2.87Å; S102-P180 WeakPolarHBondContact OG-CB 3.47Å
103L94.1Very high96.5Very high159 Ų15952.6 Ų52.683%0.83228%0.277SS*.  trans-63.4130.3-179.4-176.272.3000110.5
104N97.4Very high96.3Very high18 Ų1857.5 Ų57.510%0.09630%0.295CS..  trans-111.9100.2174.2-60.9-62.8000109.7R97 H98 T99 S102 H106 E107R97-N104 PolarHBondContact NE-ND2 3.37Å; H98-N104 PolarHBondContact N-OD1 3.03Å; T99-N104 PolarHBondContact N-OD1 2.96Å; T99-N104 PolarHBondContact O-ND2 3.06Å; T99-N104 PolarHBondContact OG1-OD1 3.2Å; S102-N104 PolarHBondContact O-N 2.85Å; S102-N104 PolarHBondContact O-ND2 2.87Å; N104-H106 PolarHBondContact O-N 2.9Å; N104-E107 HydrophobicContact CB-CB 3.53Å; N104-E107 HydrophobicContact CB-CG 4.42Å; N104-E107 WeakPolarHBondContact CB-OE2 3.4Å; N104-E107 PolarHBondContact ND2-OE2 3.49Å; N104-E107 WeakPolarHBondContact O-CB 3.5Å; N104-E107 PolarHBondContact O-N 3.29Å
105P97.1Very high96.2Very high102 Ų10256.9 Ų56.966%0.66230%0.296SS*.THydrogen-bonded Turntrans-70.4-16.3-173.926.6-34.5000114.4
106H96.9Very high96.1Very high79 Ų7958 Ų5837%0.36630%0.303SS..THydrogen-bonded Turntrans-108.68.8180-52.2-62.8000112.8N104 Y144N104-H106 PolarHBondContact O-N 2.9Å; H106-Y144 HydrophobicContact CB-CD1 3.92Å; H106-Y144 HydrophobicContact CB-CD2 3.77Å; H106-Y144 HydrophobicContact CB-CE1 4.49Å; H106-Y144 HydrophobicContact CB-CE2 4.36Å; H106-Y144 HydrophobicContact CB-CG 3.53Å; H106-Y144 AromaticContact CD2-CD1 3.63Å; H106-Y144 AromaticContact CD2-CD2 3.89Å; H106-Y144 AromaticContact CD2-CE1 3.31Å; H106-Y144 WeakPolarHBondContact CD2-CE1 3.3Å; H106-Y144 AromaticContact CD2-CE2 3.6Å; H106-Y144 AromaticContact CD2-CG 3.91Å; H106-Y144 AromaticContact CD2-CZ 3.29Å; H106-Y144 AromaticContact CE1-CE2 3.49Å; H106-Y144 VanDerWaalsContact CE1-CE2 3.49Å; H106-Y144 WeakPolarHBondContact CE1-CE2 3.32Å; H106-Y144 AromaticContact CE1-CZ 3.68Å; H106-Y144 AromaticContact CG-CD1 3.81Å; H106-Y144 AromaticContact CG-CD2 3.46Å; H106-Y144 VanDerWaalsContact CG-CD2 3.46Å; H106-Y144 AromaticContact CG-CE1 3.89Å; H106-Y144 AromaticContact CG-CE2 3.55Å; H106-Y144 AromaticContact CG-CG 3.61Å; H106-Y144 AromaticContact CG-CZ 3.77Å; H106-Y144 AromaticContact ND1-CD2 3.64Å; H106-Y144 AromaticContact ND1-CE2 3.49Å; H106-Y144 WeakPolarHBondContact ND1-CE2 3.45Å; H106-Y144 AromaticContact ND1-CZ 3.99Å; H106-Y144 AromaticContact NE2-CE1 3.77Å; H106-Y144 AromaticContact NE2-CE2 3.58Å; H106-Y144 AromaticContact NE2-CZ 3.27Å; H106-Y144 VanDerWaalsContact NE2-CZ 3.27Å; H106-Y144 PolarHBondContact NE2-OH 3.09Å
107E97.8Very high96.1Very high52 Ų5260.3 Ų60.324%0.24331%0.314CS..  trans-77.1134.2-177.2177176119.100111.4Y94 L95 R97 N104Y94-E107 VanDerWaalsContact CD1-CD 3.48Å; Y94-E107 HydrophobicContact CD1-CG 3.86Å; Y94-E107 WeakPolarHBondContact CD1-OE1 3.31Å; Y94-E107 VanDerWaalsContact CE1-OE1 3.23Å; Y94-E107 WeakPolarHBondContact CE1-OE1 3.36Å; L95-E107 CarbonylContact O-C 3.38Å; L95-E107 VanDerWaalsContact O-CA 3.25Å; L95-E107 WeakPolarHBondContact O-CA 3.49Å; R97-E107 HydrophobicContact CB-CG 4.32Å; R97-E107 VanDerWaalsContact CB-OE2 3.29Å; R97-E107 WeakPolarHBondContact CB-OE2 3.25Å; R97-E107 WeakPolarHBondContact CG-OE2 3.2Å; R97-E107 VanDerWaalsContact CZ-CD 3.47Å; R97-E107 IonicContact CZ-OE1 2.91Å; R97-E107 IonicContact CZ-OE2 2.84Å; R97-E107 IonicContact NE-OE2 2.71Å; R97-E107 PolarHBondContact NE-OE2 3.31Å; R97-E107 IonicContact NH1-OE1 3.54Å; R97-E107 IonicContact NH1-OE2 3.49Å; R97-E107 VanDerWaalsContact NH2-CD 3.28Å; R97-E107 IonicContact NH2-OE1 3.55Å; R97-E107 PolarHBondContact NH2-OE1 3.32Å; R97-E107 IonicContact NH2-OE2 2.87Å; R97-E107 PolarHBondContact NH2-OE2 2.87Å; N104-E107 HydrophobicContact CB-CB 3.53Å; N104-E107 HydrophobicContact CB-CG 4.42Å; N104-E107 WeakPolarHBondContact CB-OE2 3.4Å; N104-E107 PolarHBondContact ND2-OE2 3.49Å; N104-E107 WeakPolarHBondContact O-CB 3.5Å; N104-E107 PolarHBondContact O-N 3.29Å
108E98.1Very high96.1Very high50 Ų5059.7 Ų59.723%0.23431%0.312CS..EExtended strand (participates in β ladder)trans-117.3149.9163.4-69.5-166.9-149.700109.6Y94 L95 R110 I145Y94-E108 WeakPolarHBondContact CA-O 3.45Å; L95-E108 PolarHBondContact N-O 2.95Å; L95-E108 PolarHBondContact O-N 3.2Å; E108-R110 IonicContact OE2-CZ 3.49Å; E108-R110 IonicContact OE2-NH1 2.93Å; E108-R110 PolarHBondContact OE2-NH1 2.94Å; E108-R110 IonicContact OE2-NH2 3.19Å; E108-R110 PolarHBondContact OE2-NH2 3.02Å; E108-I145 HydrophobicContact CB-CD1 3.78Å; E108-I145 HydrophobicContact CG-CD1 3.67Å
109S97.8Very high96.1Very high64 Ų6462 Ų6245%0.44833%0.332SS..EExtended strand (participates in β ladder)trans-120.3148.6172.468.20000111.4V93V93-S109 CarbonylContact O-C 3.57Å; V93-S109 VanDerWaalsContact O-CA 3.23Å; V93-S109 WeakPolarHBondContact O-CA 3.31Å
110R97.9Very high96.2Very high36 Ų3666.7 Ų66.714%0.13636%0.357CS..EExtended strand (participates in β ladder)trans-136.9143175-67.2-62.2-175.9-74.1-2110.3V93 L95 E108 L135 E137 A138 V139V93-R110 PolarHBondContact N-O 2.83Å; V93-R110 PolarHBondContact O-N 2.8Å; L95-R110 HydrophobicContact CD1-CG 4.32Å; E108-R110 IonicContact OE2-CZ 3.49Å; E108-R110 IonicContact OE2-NH1 2.93Å; E108-R110 PolarHBondContact OE2-NH1 2.94Å; E108-R110 IonicContact OE2-NH2 3.19Å; E108-R110 PolarHBondContact OE2-NH2 3.02Å; R110-L135 HydrophobicContact CB-CB 4.27Å; R110-L135 HydrophobicContact CB-CD1 4.38Å; R110-L135 HydrophobicContact CB-CD2 4.14Å; R110-L135 HydrophobicContact CB-CG 4.49Å; R110-L135 HydrophobicContact CG-CD1 4.18Å; R110-E137 WeakPolarHBondContact CD-O 3.33Å; R110-E137 PolarHBondContact NE-O 3.05Å; R110-A138 PolarHBondContact NE-O 3.3Å; R110-A138 PolarHBondContact NH2-O 3.26Å; R110-V139 HydrophobicContact CG-CG1 3.87Å
111K97.1Very high96.3Very high126 Ų12666.8 Ų66.855%0.54836%0.356SS..EExtended strand (participates in β ladder)trans-76.2159.8162.9-70.9-177.6178.8-179.40109.9I92 Q136I92-K111 HydrophobicContact CD1-CG 3.92Å; K111-Q136 HydrophobicContact CB-CB 4.16Å; K111-Q136 WeakPolarHBondContact O-CB 3.25Å; K111-Q136 PolarHBondContact O-N 2.85Å
112V96.4Very high96.5Very high12 Ų1265 Ų657%0.07335%0.35CS..EExtended strand (participates in β ladder)trans-104128.3178.4-179.70000109.6T88 L91 V93 R114 V115 L133 Q134T88-V112 HydrophobicContact CG2-CB 4.32Å; T88-V112 HydrophobicContact CG2-CG1 4.1Å; L91-V112 HydrophobicContact CB-CG2 4.33Å; L91-V112 HydrophobicContact CD2-CB 4.12Å; L91-V112 HydrophobicContact CD2-CG1 4.28Å; L91-V112 HydrophobicContact CD2-CG2 3.74Å; L91-V112 HydrophobicContact CG-CB 4.37Å; L91-V112 HydrophobicContact CG-CG2 3.76Å; V93-V112 HydrophobicContact CG2-CG2 3.42Å; V93-V112 VanDerWaalsContact CG2-CG2 3.42Å; V112-R114 VanDerWaalsContact CG1-O 3.29Å; V112-R114 WeakPolarHBondContact CG1-O 3.23Å; V112-V115 HydrophobicContact CG1-CG2 3.85Å; V112-L133 HydrophobicContact CG1-CB 4.12Å; V112-L133 HydrophobicContact CG2-CD2 4.19Å; V112-Q134 WeakPolarHBondContact CG1-O 3.31Å
113S94.4Very high96.6Very high60 Ų6066 Ų6642%0.4235%0.351SS..EExtended strand (participates in β ladder)trans-82.4-40176.259.60000111.9Q134S113-Q134 PolarHBondContact N-O 2.97Å; S113-Q134 WeakPolarHBondContact OG-CB 3.32Å; S113-Q134 PolarHBondContact OG-O 2.95Å; S113-Q134 VanDerWaalsContact OG-O 3.08Å; S113-Q134 PolarHBondContact OG-OE1 2.8Å
114R93.6Very high96.5Very high102 Ų10267.2 Ų67.239%0.38535%0.352SS..EExtended strand (participates in β ladder)trans-150.7148.8175.958.9175.3175.6169.11.6112.1V112 I116 L133 Q134V112-R114 VanDerWaalsContact CG1-O 3.29Å; V112-R114 WeakPolarHBondContact CG1-O 3.23Å; R114-I116 HydrophobicContact CG-CG1 4.42Å; R114-L133 WeakPolarHBondContact O-CA 3.28Å; R114-Q134 HydrophobicContact CG-CB 3.65Å; R114-Q134 PolarHBondContact O-N 3.05Å
115V96Very high96.3Very high38 Ų3868.8 Ų68.823%0.2336%0.363CS..EExtended strand (participates in β ladder)trans-113.5133.2168.5-178.10000107.5F83 T88 L91 V112 L132 L133F83-V115 HydrophobicContact CB-CG1 3.99Å; F83-V115 HydrophobicContact CD1-CG1 3.93Å; F83-V115 HydrophobicContact CD1-CG2 4.41Å; F83-V115 HydrophobicContact CD2-CG1 3.82Å; F83-V115 HydrophobicContact CE1-CG1 4.41Å; F83-V115 HydrophobicContact CE2-CG1 4.32Å; F83-V115 HydrophobicContact CG-CG1 3.61Å; T88-V115 HydrophobicContact CG2-CG2 4.03Å; L91-V115 HydrophobicContact CD2-CG2 3.95Å; V112-V115 HydrophobicContact CG1-CG2 3.85Å; V115-L132 CarbonylContact C-O 3.58Å; V115-L132 WeakPolarHBondContact CA-O 3.46Å; V115-L133 HydrophobicContact CG2-CG 4.28Å
116I96.6Very high96.2Very high27 Ų2766.5 Ų66.514%0.13834%0.342CS..EExtended strand (participates in β ladder)trans-126.7104.6-178.4-47.3175.3000107.4W75 R114 A131 L132 W266 Q270W75-I116 HydrophobicContact CH2-CD1 4.01Å; W75-I116 HydrophobicContact CZ3-CD1 4.05Å; R114-I116 HydrophobicContact CG-CG1 4.42Å; I116-A131 CarbonylContact O-C 3.5Å; I116-A131 VanDerWaalsContact O-CA 3.24Å; I116-A131 WeakPolarHBondContact O-CA 3.29Å; I116-L132 HydrophobicContact CB-CB 4.43Å; I116-L132 PolarHBondContact N-O 2.87Å; I116-L132 PolarHBondContact O-N 3.08Å; I116-W266 HydrophobicContact CG2-CZ2 4.14Å; I116-Q270 HydrophobicContact CD1-CB 4.37Å; I116-Q270 HydrophobicContact CD1-CG 4.48Å; I116-Q270 HydrophobicContact CG2-CG 4.3Å
117T97.3Very high96.3Very high61 Ų6164.1 Ų64.137%0.37433%0.332SS..EExtended strand (participates in β ladder)trans-83.3150.4171.554.70000109.9A80 F83 A131A80-T117 HydrophobicContact CB-CG2 4Å; F83-T117 HydrophobicContact CB-CG2 4.25Å; T117-A131 HydrophobicContact CG2-CB 4.15Å
118H97.9Very high96.3Very high21 Ų2162.6 Ų62.610%0.09733%0.326CS..  trans-55.6132.9172-162.6-83.8000110.2D120 Y121 N128 V130 Y263 W266H118-D120 IonicContact CE1-OD2 2.91Å; H118-D120 PolarHBondContact CE1-OD2 2.9Å; H118-D120 PolarHBondContact ND1-N 2.81Å; H118-D120 VanDerWaalsContact ND1-N 3.2Å; H118-D120 PolarHBondContact O-N 2.86Å; H118-Y121 WeakPolarHBondContact O-CB 3.44Å; H118-Y121 PolarHBondContact O-N 3.11Å; H118-Y121 VanDerWaalsContact O-N 3.12Å; H118-N128 HydrophobicContact CB-CB 4.17Å; H118-N128 WeakPolarHBondContact CB-O 3.26Å; H118-V130 HydrophobicContact CB-CG1 3.72Å; H118-V130 PolarHBondContact N-O 2.9Å; H118-Y263 AromaticContact CD2-CD1 3.99Å; H118-W266 HydrophobicContact CB-CZ2 4.31Å; H118-W266 AromaticContact CD2-CD1 3.8Å; H118-W266 AromaticContact CD2-CD2 3.57Å; H118-W266 AromaticContact CD2-CE2 3.8Å; H118-W266 AromaticContact CD2-CG 3.61Å; H118-W266 AromaticContact CD2-NE1 3.9Å; H118-W266 AromaticContact NE2-CD1 3.96Å; H118-W266 AromaticContact NE2-CG 3.86Å
119P97.1Very high96.3Very high100 Ų10060.2 Ų60.265%0.64932%0.315SS*.THydrogen-bonded Turntrans-62.5-32.2-175.924-34.5000112.7Y121P119-Y121 VanDerWaalsContact C-N 3.33Å
120D97.8Very high96.3Very high108 Ų10857.1 Ų57.158%0.57829%0.294SS*.THydrogen-bonded Turntrans-9215.8179.3-52.7-43.4000113.6H118 N122 N128H118-D120 IonicContact CE1-OD2 2.91Å; H118-D120 PolarHBondContact CE1-OD2 2.9Å; H118-D120 PolarHBondContact ND1-N 2.81Å; H118-D120 VanDerWaalsContact ND1-N 3.2Å; H118-D120 PolarHBondContact O-N 2.86Å; D120-N122 PolarHBondContact O-N 3.15Å; D120-N128 PolarHBondContact O-ND2 3.23Å
121Y97.5Very high96.3Very high35 Ų3555.4 Ų55.414%0.13729%0.287CS..  trans-61.7126.9175.5172.7-124.8000110.8A80 H81 Q84 H118 P119 D123 K126 D127 D129A80-Y121 HydrophobicContact CB-CD1 3.46Å; A80-Y121 VanDerWaalsContact CB-CD1 3.46Å; A80-Y121 HydrophobicContact CB-CD2 3.8Å; A80-Y121 HydrophobicContact CB-CE1 3.83Å; A80-Y121 HydrophobicContact CB-CE2 4.21Å; A80-Y121 HydrophobicContact CB-CG 3.46Å; A80-Y121 VanDerWaalsContact CB-CG 3.46Å; H81-Y121 HydrophobicContact CB-CE1 4.43Å; H81-Y121 WeakPolarHBondContact CB-OH 3.36Å; Q84-Y121 HydrophobicContact CG-CE1 3.94Å; Q84-Y121 PolarHBondContact NE2-OH 3.26Å; H118-Y121 WeakPolarHBondContact O-CB 3.44Å; H118-Y121 PolarHBondContact O-N 3.11Å; H118-Y121 VanDerWaalsContact O-N 3.12Å; P119-Y121 VanDerWaalsContact C-N 3.33Å; Y121-D123 PolarHBondContact OH-OD1 3.12Å; Y121-K126 HydrophobicContact CE2-CD 4.47Å; Y121-D127 WeakPolarHBondContact CA-O 3.4Å; Y121-D127 WeakPolarHBondContact CD2-O 3.29Å; Y121-D129 HydrophobicContact CD2-CB 4.03Å; Y121-D129 HydrophobicContact CE2-CB 3.77Å
122N96.1Very high96.4Very high65 Ų6549.4 Ų49.435%0.34826%0.261SS..  trans-115.7118.9-179.6179.7-66.9000110.6D120 E124 T125 K126 D127D120-N122 PolarHBondContact O-N 3.15Å; N122-E124 PolarHBondContact O-N 3.23Å; N122-E124 PolarHBondContact OD1-N 3.15Å; N122-T125 WeakPolarHBondContact CB-OG1 3.27Å; N122-T125 PolarHBondContact OD1-N 2.86Å; N122-T125 PolarHBondContact OD1-OG1 2.92Å; N122-K126 WeakPolarHBondContact O-CA 3.09Å; N122-K126 PolarHBondContact O-N 2.81Å; N122-D127 PolarHBondContact N-O 2.83Å
123D93.3Very high96.4Very high71 Ų7148.9 Ų48.938%0.3826%0.257SS..THydrogen-bonded Turntrans-68.8-31.1-175.4-166.746.3000114.3Q84 Y121 K126Q84-D123 VanDerWaalsContact CD-OD1 3.3Å; Q84-D123 PolarHBondContact NE2-OD1 2.95Å; Q84-D123 PolarHBondContact OE1-OD1 3.35Å; Q84-D123 VanDerWaalsContact OE1-OD1 3.06Å; Y121-D123 PolarHBondContact OH-OD1 3.12Å; D123-K126 WeakPolarHBondContact O-CD 3.44Å; D123-K126 WeakPolarHBondContact O-CE 3.43Å; D123-K126 PolarHBondContact O-NZ 2.9Å; D123-K126 IonicContact OD1-NZ 3.56Å; D123-K126 PolarHBondContact OD1-NZ 2.85Å; D123-K126 IonicContact OD2-NZ 3.37Å
124E92.1Very high96.5Very high184 Ų18447.9 Ų47.986%0.8625%0.246SC*.THydrogen-bonded Turntrans-75.3-42.9-176-63.4-179.7171.300111N122N122-E124 PolarHBondContact O-N 3.23Å; N122-E124 PolarHBondContact OD1-N 3.15Å
125T94.3Very high96.7Very high52 Ų5243 Ų4332%0.31923%0.228SC..THydrogen-bonded Turntrans-92.4-15.7-176.760.60000113.4N122 D127 M207N122-T125 WeakPolarHBondContact CB-OG1 3.27Å; N122-T125 PolarHBondContact OD1-N 2.86Å; N122-T125 PolarHBondContact OD1-OG1 2.92Å; T125-D127 PolarHBondContact O-N 2.84Å; T125-D127 WeakPolarHBondContact OG1-CB 3.23Å; T125-D127 PolarHBondContact OG1-N 3.27Å; T125-M207 WeakPolarHBondContact O-CE 3.25Å
126K95.1Very high96.7Very high53 Ų5346.5 Ų46.523%0.2324%0.242CC..  trans56.920.4-167.4-53.2-56.8-173.3-142.30113.8Y121 N122 D123 D129 F244Y121-K126 HydrophobicContact CE2-CD 4.47Å; N122-K126 WeakPolarHBondContact O-CA 3.09Å; N122-K126 PolarHBondContact O-N 2.81Å; D123-K126 WeakPolarHBondContact O-CD 3.44Å; D123-K126 WeakPolarHBondContact O-CE 3.43Å; D123-K126 PolarHBondContact O-NZ 2.9Å; D123-K126 IonicContact OD1-NZ 3.56Å; D123-K126 PolarHBondContact OD1-NZ 2.85Å; D123-K126 IonicContact OD2-NZ 3.37Å; K126-D129 WeakPolarHBondContact O-CB 3.36Å; K126-F244 HydrophobicContact CB-CD1 3.57Å; K126-F244 HydrophobicContact CB-CE1 3.77Å; K126-F244 HydrophobicContact CG-CB 4.47Å; K126-F244 HydrophobicContact CG-CD1 3.8Å; K126-F244 HydrophobicContact CG-CE1 4.34Å; K126-F244 HydrophobicContact CG-CG 4.29Å
127D97.6Very high96.7Very high29 Ų2951.3 Ų51.316%0.15526%0.263CS..THydrogen-bonded Turntrans-71.4145.4174-159.433.9000110.7Y121 N122 T125 D129 T204 N206 M207Y121-D127 WeakPolarHBondContact CA-O 3.4Å; Y121-D127 WeakPolarHBondContact CD2-O 3.29Å; N122-D127 PolarHBondContact N-O 2.83Å; T125-D127 PolarHBondContact O-N 2.84Å; T125-D127 WeakPolarHBondContact OG1-CB 3.23Å; T125-D127 PolarHBondContact OG1-N 3.27Å; D127-D129 VanDerWaalsContact C-N 3.3Å; D127-D129 PolarHBondContact O-N 3.32Å; D127-T204 HydrophobicContact CB-CG2 4.34Å; D127-T204 PolarHBondContact OD1-OG1 2.96Å; D127-N206 VanDerWaalsContact OD1-CB 3.3Å; D127-N206 WeakPolarHBondContact OD1-CB 3.3Å; D127-N206 PolarHBondContact OD1-ND2 2.64Å; D127-N206 PolarHBondContact OD2-ND2 3.33Å; D127-M207 HydrophobicContact CB-CE 4.15Å
128N98Very high96.6Very high20 Ų2050.5 Ų50.511%0.10726%0.263CS..THydrogen-bonded Turntrans57.435.4-173.8-50.5-61.3000114.7H118 D120 V130 N206 Y263H118-N128 HydrophobicContact CB-CB 4.17Å; H118-N128 WeakPolarHBondContact CB-O 3.26Å; D120-N128 PolarHBondContact O-ND2 3.23Å; N128-V130 PolarHBondContact O-N 3.48Å; N128-N206 PolarHBondContact OD1-ND2 2.8Å; N128-Y263 WeakPolarHBondContact CA-OH 3.32Å; N128-Y263 HydrophobicContact CB-CE1 4.31Å
129D98.1Very high96.5Very high0 Ų049.8 Ų49.80%026%0.26CS..  trans-75.570-179.3-170.621.7000113.2A80 H81 Y121 K126 D127 S243 A258A80-D129 WeakPolarHBondContact CA-OD1 3.26Å; A80-D129 PolarHBondContact N-OD1 3.49Å; H81-D129 IonicContact CE1-OD2 3.77Å; H81-D129 IonicContact CG-OD1 2.69Å; H81-D129 IonicContact CG-OD2 3.85Å; H81-D129 PolarHBondContact N-OD1 3.44Å; H81-D129 IonicContact ND1-OD1 3.94Å; H81-D129 PolarHBondContact ND1-OD1 2.94Å; H81-D129 IonicContact ND1-OD2 3.32Å; H81-D129 PolarHBondContact ND1-OD2 2.99Å; Y121-D129 HydrophobicContact CD2-CB 4.03Å; Y121-D129 HydrophobicContact CE2-CB 3.77Å; K126-D129 WeakPolarHBondContact O-CB 3.36Å; D127-D129 VanDerWaalsContact C-N 3.3Å; D127-D129 PolarHBondContact O-N 3.32Å; D129-S243 VanDerWaalsContact OD2-CB 3.28Å; D129-S243 WeakPolarHBondContact OD2-CB 3.4Å; D129-S243 PolarHBondContact OD2-OG 3.47Å; D129-A258 WeakPolarHBondContact O-CB 3.46Å
130V98.6Very high96.5Very high0 Ų050.7 Ų50.70%026%0.26CS..  trans-138.9139.7179.863.50000111.3L77 H118 N128 I241 Y263 W266L77-V130 HydrophobicContact CD1-CG2 3.51Å; H118-V130 HydrophobicContact CB-CG1 3.72Å; H118-V130 PolarHBondContact N-O 2.9Å; N128-V130 PolarHBondContact O-N 3.48Å; V130-I241 HydrophobicContact CB-CD1 4.05Å; V130-I241 HydrophobicContact CG2-CD1 3.53Å; V130-Y263 HydrophobicContact CB-CD2 4.43Å; V130-Y263 HydrophobicContact CB-CE2 4.47Å; V130-Y263 HydrophobicContact CB-CG 4.5Å; V130-Y263 HydrophobicContact CG1-CD1 3.63Å; V130-Y263 HydrophobicContact CG1-CD2 4.24Å; V130-Y263 HydrophobicContact CG1-CE1 3.75Å; V130-Y263 HydrophobicContact CG1-CE2 4.35Å; V130-Y263 HydrophobicContact CG1-CG 3.87Å; V130-W266 HydrophobicContact CB-CZ3 4.44Å; V130-W266 HydrophobicContact CG1-CE3 4.14Å; V130-W266 HydrophobicContact CG1-CH2 4.33Å; V130-W266 HydrophobicContact CG1-CZ3 3.86Å; V130-W266 HydrophobicContact CG2-CH2 4.45Å; V130-W266 HydrophobicContact CG2-CZ3 3.77Å
131A98.2Very high96.4Very high0 Ų047.7 Ų47.70%024%0.242CC..EExtended strand (participates in β ladder)trans-140.1152.4175.600000112.2S78 A80 F83 I116 T117S78-A131 PolarHBondContact N-O 3.1Å; S78-A131 PolarHBondContact O-N 2.89Å; A80-A131 HydrophobicContact CB-CB 4.49Å; F83-A131 HydrophobicContact CD2-CB 3.69Å; F83-A131 HydrophobicContact CE2-CB 3.73Å; I116-A131 CarbonylContact O-C 3.5Å; I116-A131 VanDerWaalsContact O-CA 3.24Å; I116-A131 WeakPolarHBondContact O-CA 3.29Å; T117-A131 HydrophobicContact CG2-CB 4.15Å
132L98Very high96.4Very high0 Ų048.4 Ų48.40%025%0.25CC..EExtended strand (participates in β ladder)trans-115.2137.9173.5-71.5167.9000110I71 W75 V76 L77 V115 I116 W266 Q270 L271I71-L132 HydrophobicContact CD1-CD2 3.6Å; W75-L132 HydrophobicContact CE3-CB 4.1Å; W75-L132 HydrophobicContact CZ3-CB 3.93Å; V76-L132 WeakPolarHBondContact O-CA 3.41Å; L77-L132 HydrophobicContact CD1-CD2 3.84Å; L77-L132 HydrophobicContact CD1-CG 4.49Å; V115-L132 CarbonylContact C-O 3.58Å; V115-L132 WeakPolarHBondContact CA-O 3.46Å; I116-L132 HydrophobicContact CB-CB 4.43Å; I116-L132 PolarHBondContact N-O 2.87Å; I116-L132 PolarHBondContact O-N 3.08Å; L132-W266 HydrophobicContact CB-CH2 4.34Å; L132-W266 HydrophobicContact CD1-CE3 4.41Å; L132-W266 HydrophobicContact CD1-CH2 3.79Å; L132-W266 HydrophobicContact CD1-CZ2 4.45Å; L132-W266 HydrophobicContact CD1-CZ3 3.75Å; L132-W266 HydrophobicContact CG-CH2 3.77Å; L132-W266 HydrophobicContact CG-CZ3 3.81Å; L132-Q270 HydrophobicContact CD1-CB 3.54Å; L132-Q270 HydrophobicContact CD1-CG 3.86Å; L132-L271 HydrophobicContact CD1-CD1 3.63Å; L132-L271 HydrophobicContact CD2-CD1 4.09Å; L132-L271 HydrophobicContact CG-CD1 4.49Å
133L97.7Very high96.4Very high0 Ų048.7 Ų48.70%025%0.251CS..EExtended strand (participates in β ladder)trans-117.4124.1173.2-59.270.9000107.7L59 W75 V76 F83 L91 V93 V112 R114 V115L59-L133 HydrophobicContact CD1-CD2 4.24Å; L59-L133 HydrophobicContact CD2-CD2 3.71Å; W75-L133 WeakPolarHBondContact CA-O 3.4Å; V76-L133 HydrophobicContact CB-CB 4.25Å; V76-L133 HydrophobicContact CG1-CD1 4.46Å; V76-L133 PolarHBondContact N-O 2.93Å; V76-L133 PolarHBondContact O-N 2.84Å; F83-L133 HydrophobicContact CE1-CD2 4.04Å; F83-L133 HydrophobicContact CE1-CG 4.45Å; F83-L133 HydrophobicContact CE2-CD1 3.87Å; F83-L133 HydrophobicContact CZ-CD1 3.63Å; F83-L133 HydrophobicContact CZ-CD2 3.79Å; F83-L133 HydrophobicContact CZ-CG 4.01Å; L91-L133 HydrophobicContact CD2-CD2 3.81Å; V93-L133 HydrophobicContact CG2-CD2 4.31Å; V112-L133 HydrophobicContact CG1-CB 4.12Å; V112-L133 HydrophobicContact CG2-CD2 4.19Å; R114-L133 WeakPolarHBondContact O-CA 3.28Å; V115-L133 HydrophobicContact CG2-CG 4.28Å
134Q96.4Very high96.6Very high40 Ų4048 Ų4819%0.18724%0.244CC..EExtended strand (participates in β ladder)trans-90.7125.2170.4-168.8-179.326.700109Q74 W75 V112 S113 R114Q74-Q134 HydrophobicContact CG-CG 4.4Å; W75-Q134 HydrophobicContact CD2-CB 4.26Å; W75-Q134 HydrophobicContact CD2-CG 4.27Å; W75-Q134 HydrophobicContact CE3-CB 3.96Å; W75-Q134 HydrophobicContact CE3-CG 4.46Å; W75-Q134 HydrophobicContact CH2-CB 3.99Å; W75-Q134 HydrophobicContact CH2-CG 4.29Å; W75-Q134 HydrophobicContact CZ2-CB 4.22Å; W75-Q134 HydrophobicContact CZ2-CG 4.01Å; W75-Q134 HydrophobicContact CZ3-CB 3.81Å; W75-Q134 HydrophobicContact CZ3-CG 4.46Å; V112-Q134 WeakPolarHBondContact CG1-O 3.31Å; S113-Q134 PolarHBondContact N-O 2.97Å; S113-Q134 WeakPolarHBondContact OG-CB 3.32Å; S113-Q134 PolarHBondContact OG-O 2.95Å; S113-Q134 VanDerWaalsContact OG-O 3.08Å; S113-Q134 PolarHBondContact OG-OE1 2.8Å; R114-Q134 HydrophobicContact CG-CB 3.65Å; R114-Q134 PolarHBondContact O-N 3.05Å
135L97Very high96.9Very high0 Ų039.2 Ų39.20%020%0.203CC..EExtended strand (participates in β ladder)trans-72.7143.3176.2-52.2-178.2000109.5L70 Q74 V76 V93 R110 E137 V139L70-L135 HydrophobicContact CD1-CD1 4.38Å; Q74-L135 HydrophobicContact CG-CB 4.03Å; Q74-L135 VanDerWaalsContact CG-O 3.29Å; Q74-L135 WeakPolarHBondContact CG-O 3.23Å; Q74-L135 PolarHBondContact NE2-O 3.08Å; Q74-L135 PolarHBondContact O-N 2.78Å; V76-L135 HydrophobicContact CG2-CD1 4.46Å; V76-L135 HydrophobicContact CG2-CD2 4.02Å; V76-L135 HydrophobicContact CG2-CG 4.47Å; V93-L135 HydrophobicContact CB-CD2 3.97Å; V93-L135 HydrophobicContact CG1-CD2 3.9Å; V93-L135 HydrophobicContact CG2-CD2 3.78Å; R110-L135 HydrophobicContact CB-CB 4.27Å; R110-L135 HydrophobicContact CB-CD1 4.38Å; R110-L135 HydrophobicContact CB-CD2 4.14Å; R110-L135 HydrophobicContact CB-CG 4.49Å; R110-L135 HydrophobicContact CG-CD1 4.18Å; L135-E137 WeakPolarHBondContact CB-O 3.41Å; L135-E137 PolarHBondContact O-N 2.81Å; L135-V139 HydrophobicContact CD1-CG1 3.92Å
136Q96Very high97.1Very high110 Ų11039.2 Ų39.251%0.51420%0.197SC..SBendtrans-64.8-32.3176.6-174.5173.5-1300111.6K111K111-Q136 HydrophobicContact CB-CB 4.16Å; K111-Q136 WeakPolarHBondContact O-CB 3.25Å; K111-Q136 PolarHBondContact O-N 2.85Å
137E96.2Very high97.2Very high128 Ų12836.7 Ų36.760%0.59819%0.186SC*.SBendtrans-133.9144.9176-66.3178-175.100110R110 L135R110-E137 WeakPolarHBondContact CD-O 3.33Å; R110-E137 PolarHBondContact NE-O 3.05Å; L135-E137 WeakPolarHBondContact CB-O 3.41Å; L135-E137 PolarHBondContact O-N 2.81Å
138A96.2Very high97.2Very high45 Ų4535.3 Ų35.337%0.37218%0.179SC..PPolyproline II helixtrans-61.8151.3175.500000112.1H73 R110H73-A138 CarbonylContact O-C 3.58Å; H73-A138 VanDerWaalsContact O-CA 3.29Å; H73-A138 WeakPolarHBondContact O-CA 3.46Å; R110-A138 PolarHBondContact NE-O 3.3Å; R110-A138 PolarHBondContact NH2-O 3.26Å
139V96.4Very high97.2Very high5 Ų534.4 Ų34.43%0.0317%0.174CC..PPolyproline II helixtrans-97.1146.7170-59.70000110.6L70 H73 L95 R110 L135 F141 I145L70-V139 HydrophobicContact CD1-CG2 4.13Å; L70-V139 HydrophobicContact CD2-CG2 3.79Å; H73-V139 WeakPolarHBondContact O-CG2 3.49Å; H73-V139 PolarHBondContact O-N 3Å; L95-V139 HydrophobicContact CD1-CG1 3.92Å; L95-V139 HydrophobicContact CD2-CG1 4.11Å; L95-V139 HydrophobicContact CD2-CG2 4.44Å; R110-V139 HydrophobicContact CG-CG1 3.87Å; L135-V139 HydrophobicContact CD1-CG1 3.92Å; V139-F141 HydrophobicContact CG2-CD1 4.45Å; V139-F141 HydrophobicContact CG2-CE1 4.25Å; V139-I145 HydrophobicContact CB-CG2 4.28Å; V139-I145 HydrophobicContact CG2-CG2 3.98Å
140N96Very high97.2Very high120 Ų12034.5 Ų34.564%0.64217%0.174SC*.PPolyproline II helixtrans-85.2136.6168.9-70.4-32.5000108.9
141F96.4Very high97.2Very high44 Ų4434.5 Ų34.519%0.19317%0.174CC..PPolyproline II helixtrans-76.1132.3175.2-59.3-31.4000110.8L24 S25 V28 L70 H73 V139 I145 P147L24-F141 HydrophobicContact CD2-CD2 3.8Å; L24-F141 HydrophobicContact CD2-CE2 4.36Å; L24-F141 HydrophobicContact CG-CD2 3.92Å; L24-F141 HydrophobicContact CG-CE2 4.23Å; S25-F141 WeakPolarHBondContact OG-CZ 3.47Å; V28-F141 HydrophobicContact CG2-CD2 3.71Å; V28-F141 HydrophobicContact CG2-CE2 4.01Å; V28-F141 HydrophobicContact CG2-CG 4.39Å; L70-F141 HydrophobicContact CD2-CE1 4.17Å; H73-F141 HydrophobicContact CB-CE1 3.97Å; H73-F141 HydrophobicContact CB-CZ 3.71Å; V139-F141 HydrophobicContact CG2-CD1 4.45Å; V139-F141 HydrophobicContact CG2-CE1 4.25Å; F141-I145 CarbonylContact C-O 3.48Å; F141-I145 VanDerWaalsContact CA-O 3.26Å; F141-I145 WeakPolarHBondContact CA-O 3.31Å; F141-P147 HydrophobicContact CE1-CG 4.11Å; F141-P147 HydrophobicContact CE2-CG 4.21Å; F141-P147 HydrophobicContact CZ-CG 3.76Å
142T96.8Very high97.1Very high51 Ų5134.9 Ų34.931%0.31318%0.177SC..  trans-130.1-171177.969.70000108.8Y144 I145 R146T142-Y144 PolarHBondContact O-N 3.05Å; T142-Y144 PolarHBondContact OG1-N 3.19Å; T142-Y144 VanDerWaalsContact OG1-N 3.14Å; T142-I145 PolarHBondContact N-O 3.12Å; T142-I145 PolarHBondContact OG1-N 2.74Å; T142-R146 WeakPolarHBondContact O-CG 3.37Å; T142-R146 PolarHBondContact O-NE 2.92Å
143D96.4Very high97.1Very high70 Ų7037.3 Ų37.337%0.37420%0.198SC..SBendtrans-75.8-12.9171.8-65.5-25.1000113.1P33 L34 R146P33-D143 HydrophobicContact CB-CB 4.33Å; P33-D143 HydrophobicContact CG-CB 4.37Å; L34-D143 HydrophobicContact CD1-CB 4.16Å; L34-D143 HydrophobicContact CD2-CB 4.39Å; L34-D143 HydrophobicContact CG-CB 4.13Å; D143-R146 IonicContact OD1-CZ 2.68Å; D143-R146 IonicContact OD1-NH2 3.88Å; D143-R146 PolarHBondContact OD1-NH2 3.28Å
144Y97.8Very high96.8Very high56 Ų5640.8 Ų40.822%0.2223%0.233CC..SBendtrans-109.3-12.5179.9-61.1-92.2000113.5L34 A50 P54 H106 T142L34-Y144 HydrophobicContact CD1-CD1 4.03Å; L34-Y144 HydrophobicContact CD1-CD2 4.33Å; L34-Y144 HydrophobicContact CD1-CE1 3.47Å; L34-Y144 VanDerWaalsContact CD1-CE1 3.47Å; L34-Y144 HydrophobicContact CD1-CE2 3.81Å; L34-Y144 HydrophobicContact CD1-CG 4.42Å; A50-Y144 HydrophobicContact CB-CE1 4.25Å; P54-Y144 VanDerWaalsContact CA-O 3.31Å; P54-Y144 WeakPolarHBondContact CA-O 3.26Å; P54-Y144 WeakPolarHBondContact CB-O 3.26Å; H106-Y144 HydrophobicContact CB-CD1 3.92Å; H106-Y144 HydrophobicContact CB-CD2 3.77Å; H106-Y144 HydrophobicContact CB-CE1 4.49Å; H106-Y144 HydrophobicContact CB-CE2 4.36Å; H106-Y144 HydrophobicContact CB-CG 3.53Å; H106-Y144 AromaticContact CD2-CD1 3.63Å; H106-Y144 AromaticContact CD2-CD2 3.89Å; H106-Y144 AromaticContact CD2-CE1 3.31Å; H106-Y144 WeakPolarHBondContact CD2-CE1 3.3Å; H106-Y144 AromaticContact CD2-CE2 3.6Å; H106-Y144 AromaticContact CD2-CG 3.91Å; H106-Y144 AromaticContact CD2-CZ 3.29Å; H106-Y144 AromaticContact CE1-CE2 3.49Å; H106-Y144 VanDerWaalsContact CE1-CE2 3.49Å; H106-Y144 WeakPolarHBondContact CE1-CE2 3.32Å; H106-Y144 AromaticContact CE1-CZ 3.68Å; H106-Y144 AromaticContact CG-CD1 3.81Å; H106-Y144 AromaticContact CG-CD2 3.46Å; H106-Y144 VanDerWaalsContact CG-CD2 3.46Å; H106-Y144 AromaticContact CG-CE1 3.89Å; H106-Y144 AromaticContact CG-CE2 3.55Å; H106-Y144 AromaticContact CG-CG 3.61Å; H106-Y144 AromaticContact CG-CZ 3.77Å; H106-Y144 AromaticContact ND1-CD2 3.64Å; H106-Y144 AromaticContact ND1-CE2 3.49Å; H106-Y144 WeakPolarHBondContact ND1-CE2 3.45Å; H106-Y144 AromaticContact ND1-CZ 3.99Å; H106-Y144 AromaticContact NE2-CE1 3.77Å; H106-Y144 AromaticContact NE2-CE2 3.58Å; H106-Y144 AromaticContact NE2-CZ 3.27Å; H106-Y144 VanDerWaalsContact NE2-CZ 3.27Å; H106-Y144 PolarHBondContact NE2-OH 3.09Å; T142-Y144 PolarHBondContact O-N 3.05Å; T142-Y144 PolarHBondContact OG1-N 3.19Å; T142-Y144 VanDerWaalsContact OG1-N 3.14Å
145I98.2Very high96.8Very high1 Ų139.3 Ų39.31%0.00523%0.228CC..  trans-131.7104.1-179.1-57.1175.4000108.2P54 L70 L95 E108 V139 F141 T142P54-I145 WeakPolarHBondContact O-CA 3.13Å; L70-I145 HydrophobicContact CD2-CG2 3.72Å; L95-I145 HydrophobicContact CB-CD1 4.01Å; L95-I145 HydrophobicContact CB-CG1 4.04Å; L95-I145 HydrophobicContact CB-CG2 4.15Å; L95-I145 HydrophobicContact CD2-CG2 4.08Å; E108-I145 HydrophobicContact CB-CD1 3.78Å; E108-I145 HydrophobicContact CG-CD1 3.67Å; V139-I145 HydrophobicContact CB-CG2 4.28Å; V139-I145 HydrophobicContact CG2-CG2 3.98Å; F141-I145 CarbonylContact C-O 3.48Å; F141-I145 VanDerWaalsContact CA-O 3.26Å; F141-I145 WeakPolarHBondContact CA-O 3.31Å; T142-I145 PolarHBondContact N-O 3.12Å; T142-I145 PolarHBondContact OG1-N 2.74Å
146R97.3Very high96.6Very high51 Ų5143.3 Ų43.319%0.19225%0.249CC..  trans-146.4149.8177.6-64.8-165.6177.5-154.91.9110.5T31 P33 P54 W55 T142 D143T31-R146 WeakPolarHBondContact OG1-CD 3.07Å; T31-R146 PolarHBondContact OG1-NH1 3.02Å; P33-R146 VanDerWaalsContact CG-NE 3.34Å; P33-R146 VanDerWaalsContact CG-NH2 3.31Å; P54-R146 CarbonylContact C-O 3.59Å; P54-R146 HydrophobicContact CB-CB 4.02Å; P54-R146 HydrophobicContact CB-CG 4.31Å; P54-R146 HydrophobicContact CG-CB 3.95Å; P54-R146 HydrophobicContact CG-CG 4.4Å; P54-R146 PolarHBondContact O-N 3.17Å; W55-R146 WeakPolarHBondContact CA-O 3.35Å; W55-R146 VanDerWaalsContact CB-O 3.25Å; W55-R146 WeakPolarHBondContact CB-O 3.41Å; W55-R146 PolarHBondContact N-O 3.33Å; T142-R146 WeakPolarHBondContact O-CG 3.37Å; T142-R146 PolarHBondContact O-NE 2.92Å; D143-R146 IonicContact OD1-CZ 2.68Å; D143-R146 IonicContact OD1-NH2 3.88Å; D143-R146 PolarHBondContact OD1-NH2 3.28Å
147P97.9Very high96.5Very high0 Ų038.4 Ų38.40%023%0.226CC..PPolyproline II helixtrans-73.4152176.930-31.1000111.1V28 C29 G30 L70 F141V28-P147 HydrophobicContact CG2-CG 4.25Å; C29-P147 CarbonylContact C-O 3.52Å; C29-P147 VanDerWaalsContact CA-O 3.24Å; C29-P147 WeakPolarHBondContact CA-O 3.3Å; C29-P147 HydrophobicContact CB-CG 4.35Å; G30-P147 PolarHBondContact N-O 3.26Å; L70-P147 CarbonylContact O-C 3.43Å; L70-P147 WeakPolarHBondContact O-CA 3.32Å; F141-P147 HydrophobicContact CE1-CG 4.11Å; F141-P147 HydrophobicContact CE2-CG 4.21Å; F141-P147 HydrophobicContact CZ-CG 3.76Å
148V98.2Very high96.4Very high1 Ų134.7 Ų34.71%0.00621%0.21CC..PPolyproline II helixtrans-85.1152.5165.970.90000109.9W55 L70 I71 V229 Q238W55-V148 HydrophobicContact CB-CB 3.81Å; W55-V148 HydrophobicContact CB-CG1 4.4Å; W55-V148 HydrophobicContact CD2-CB 3.7Å; W55-V148 HydrophobicContact CD2-CG2 3.88Å; W55-V148 HydrophobicContact CE3-CB 4.1Å; W55-V148 HydrophobicContact CE3-CG2 4.3Å; W55-V148 HydrophobicContact CG-CB 3.58Å; W55-V148 HydrophobicContact CG-CG1 4.42Å; W55-V148 HydrophobicContact CG-CG2 4.12Å; W55-V148 HydrophobicContact CZ2-CG2 4.36Å; L70-V148 PolarHBondContact O-N 3.3Å; I71-V148 HydrophobicContact CG2-CG1 4.28Å; V148-V229 HydrophobicContact CG2-CG1 3.81Å; V148-Q238 HydrophobicContact CG1-CB 3.99Å; V148-Q238 HydrophobicContact CG2-CB 4.08Å
149C98.1Very high96.3Very high0 Ų035.1 Ų35.10%021%0.213CC..EExtended strand (participates in β ladder)trans-77.4148.8167.5-55.90000109.8C29 R235 W236 V237 Q238 G277 V279C29-C149 HydrophobicContact CB-CB 4.03Å; C29-C149 WeakPolarHBondContact CB-SG 3.33Å; C29-C149 PolarHBondContact O-SG 3.41Å; C29-C149 VanDerWaalsContact SG-CA 3.57Å; C29-C149 WeakPolarHBondContact SG-CB 3.48Å; C29-C149 CovalentContact SG-SG 2.06Å; C29-C149 PolarHBondContact SG-SG 2.85Å; C149-R235 VanDerWaalsContact SG-CD 3.57Å; C149-W236 WeakPolarHBondContact CB-O 3.48Å; C149-W236 PolarHBondContact N-O 3.2Å; C149-V237 HydrophobicContact CB-CG2 4.36Å; C149-V237 CarbonylContact O-C 3.55Å; C149-V237 WeakPolarHBondContact O-CA 3.28Å; C149-Q238 PolarHBondContact O-N 2.81Å; C149-G277 CarbonylContact C-O 3.51Å; C149-G277 VanDerWaalsContact CA-O 3.26Å; C149-G277 WeakPolarHBondContact CA-O 3.25Å; C149-G277 VanDerWaalsContact CB-O 3.26Å; C149-G277 WeakPolarHBondContact CB-O 3.18Å; C149-V279 HydrophobicContact CB-CB 4.41Å; C149-V279 HydrophobicContact CB-CG2 3.79Å
150L98.1Very high96.1Very high2 Ų236.3 Ų36.31%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-98.7143.8177.2-64.7178.4000110.7I71 L77 A152 Q238 V260 I267 L276 G277 F278 V279I71-L150 HydrophobicContact CB-CD1 4.29Å; I71-L150 HydrophobicContact CD1-CD1 4.27Å; I71-L150 HydrophobicContact CG2-CD1 4.23Å; I71-L150 HydrophobicContact CG2-CD2 3.74Å; I71-L150 HydrophobicContact CG2-CG 4.21Å; L77-L150 HydrophobicContact CD2-CD2 3.69Å; L150-A152 PolarHBondContact O-N 3.1Å; L150-Q238 HydrophobicContact CD2-CB 4.23Å; L150-V260 HydrophobicContact CB-CG1 4.12Å; L150-V260 HydrophobicContact CD2-CG1 3.92Å; L150-I267 HydrophobicContact CD1-CD1 4.17Å; L150-I267 HydrophobicContact CD1-CG2 4.13Å; L150-L276 HydrophobicContact CD1-CD1 4.41Å; L150-L276 HydrophobicContact CD1-CD2 4.38Å; L150-G277 PolarHBondContact N-O 2.01Å; L150-F278 HydrophobicContact CB-CD1 3.57Å; L150-F278 HydrophobicContact CB-CE1 3.51Å; L150-F278 HydrophobicContact CB-CG 4.38Å; L150-F278 HydrophobicContact CB-CZ 4.29Å; L150-F278 HydrophobicContact CD1-CE1 3.86Å; L150-F278 HydrophobicContact CD1-CZ 3.83Å; L150-F278 HydrophobicContact CG-CE1 4.35Å; L150-F278 CarbonylContact O-C 3.58Å; L150-F278 WeakPolarHBondContact O-CA 3.5Å; L150-V279 PolarHBondContact O-N 3.14Å
151A97.9Very high96Very high0 Ų032 Ų320%020%0.203CC..EExtended strand (participates in β ladder)trans-63.5121.6172.200000110F157 V237 Q238 V260 S261A151-F157 HydrophobicContact CB-CE2 3.73Å; A151-F157 HydrophobicContact CB-CZ 3.74Å; A151-V237 HydrophobicContact CB-CG1 3.98Å; A151-Q238 VanDerWaalsContact CB-O 3.26Å; A151-Q238 WeakPolarHBondContact CB-O 3.5Å; A151-Q238 PolarHBondContact N-O 3.1Å; A151-Q238 VanDerWaalsContact N-O 3.1Å; A151-V260 HydrophobicContact CB-CB 4.4Å; A151-V260 HydrophobicContact CB-CG1 4.31Å; A151-S261 WeakPolarHBondContact O-CA 3Å
152A97Very high95.9Very high8 Ų831.8 Ų31.87%0.06621%0.206CC..PPolyproline II helixtrans-68.7156.9175.700000111.6L150 G154 S155 S261 F278 V279L150-A152 PolarHBondContact O-N 3.1Å; A152-G154 PolarHBondContact O-N 3.33Å; A152-S155 PolarHBondContact N-OG 3.48Å; A152-S155 WeakPolarHBondContact O-CB 3.18Å; A152-S155 PolarHBondContact O-N 3.17Å; A152-S155 PolarHBondContact O-OG 3.24Å; A152-S261 VanDerWaalsContact O-CB 3.26Å; A152-S261 WeakPolarHBondContact O-CB 3.41Å; A152-F278 HydrophobicContact CB-CB 4.12Å; A152-V279 PolarHBondContact N-O 3.34Å
153A96.3Very high95.7Very high52 Ų5229.3 Ų29.343%0.4319%0.191SC..THydrogen-bonded Turntrans-52135.1166.800000110S155 S261 Q264A153-S155 VanDerWaalsContact C-N 3.28Å; A153-S155 PolarHBondContact O-N 3.28Å; A153-S261 WeakPolarHBondContact CA-O 3.02Å; A153-Q264 HydrophobicContact CB-CB 4.25Å
154G93Very high95.6Very high72 Ų7227.5 Ų27.574%0.74218%0.179SC*.THydrogen-bonded Turntrans79.51.9-173.700000115.1A152A152-G154 PolarHBondContact O-N 3.33Å
155S96.3Very high95.4Very high10 Ų1025.3 Ų25.37%0.0717%0.171CC..  trans-65.5137.8167.8-61.70000110.8A152 A153 V279 F281A152-S155 PolarHBondContact N-OG 3.48Å; A152-S155 WeakPolarHBondContact O-CB 3.18Å; A152-S155 PolarHBondContact O-N 3.17Å; A152-S155 PolarHBondContact O-OG 3.24Å; A153-S155 VanDerWaalsContact C-N 3.28Å; A153-S155 PolarHBondContact O-N 3.28Å; S155-V279 PolarHBondContact OG-O 2.79Å; S155-F281 CarbonylContact C-O 3.51Å; S155-F281 VanDerWaalsContact CA-O 3.26Å; S155-F281 WeakPolarHBondContact CA-O 3.12Å; S155-F281 PolarHBondContact OG-N 3.35Å
156D91.3Very high95.3Very high83 Ų8325.4 Ų25.444%0.44417%0.172SC..BIsolated β-bridgetrans-124.3126.3-178-16814.8000111.1L158 F281 G283D156-L158 VanDerWaalsContact OD2-CD2 3.28Å; D156-L158 WeakPolarHBondContact OD2-CD2 3.42Å; D156-F281 PolarHBondContact N-O 2.98Å; D156-G283 PolarHBondContact O-N 2.77Å
157F95.1Very high95.1Very high7 Ų723.2 Ų23.23%0.03117%0.165CC..  trans-116.195.7-179.4-61.7-87.8000107.2A151 Q161 V190 I208 F281A151-F157 HydrophobicContact CB-CE2 3.73Å; A151-F157 HydrophobicContact CB-CZ 3.74Å; F157-Q161 HydrophobicContact CD1-CG 4.4Å; F157-V190 HydrophobicContact CB-CG2 4.32Å; F157-V190 WeakPolarHBondContact O-CG1 3.37Å; F157-I208 HydrophobicContact CB-CD1 3.86Å; F157-I208 HydrophobicContact CD2-CD1 4.3Å; F157-I208 HydrophobicContact CG-CD1 4.25Å; F157-F281 AromaticContact CD1-CD1 3.53Å; F157-F281 HydrophobicContact CD1-CD1 3.53Å; F157-F281 AromaticContact CD1-CE1 3.7Å; F157-F281 HydrophobicContact CD1-CE1 3.7Å; F157-F281 HydrophobicContact CD1-CG 4.02Å; F157-F281 HydrophobicContact CD1-CZ 4.32Å; F157-F281 HydrophobicContact CE1-CB 3.77Å; F157-F281 AromaticContact CE1-CD1 3.36Å; F157-F281 HydrophobicContact CE1-CD1 3.36Å; F157-F281 AromaticContact CE1-CD2 3.76Å; F157-F281 HydrophobicContact CE1-CD2 3.76Å; F157-F281 AromaticContact CE1-CE1 3.82Å; F157-F281 HydrophobicContact CE1-CE1 3.82Å; F157-F281 HydrophobicContact CE1-CE2 4.15Å; F157-F281 AromaticContact CE1-CG 3.34Å; F157-F281 HydrophobicContact CE1-CG 3.34Å; F157-F281 HydrophobicContact CE1-CZ 4.19Å; F157-F281 HydrophobicContact CE2-CB 4.38Å; F157-F281 HydrophobicContact CG-CD1 4.3Å; F157-F281 HydrophobicContact CZ-CB 3.62Å; F157-F281 HydrophobicContact CZ-CD1 4.05Å; F157-F281 HydrophobicContact CZ-CD2 4.35Å; F157-F281 AromaticContact CZ-CG 3.77Å; F157-F281 HydrophobicContact CZ-CG 3.77Å
158L94Very high94.8Very high51 Ų5123.9 Ų23.927%0.26717%0.167SC..  trans-68.1154.4-175.2-60.6179.3000111.6D156 G160 Q161 G283 P285D156-L158 VanDerWaalsContact OD2-CD2 3.28Å; D156-L158 WeakPolarHBondContact OD2-CD2 3.42Å; L158-G160 PolarHBondContact O-N 3.47Å; L158-Q161 WeakPolarHBondContact O-CB 3.25Å; L158-Q161 PolarHBondContact O-N 2.85Å; L158-G283 WeakPolarHBondContact CD1-O 3.43Å; L158-P285 HydrophobicContact CD1-CB 4.29Å; L158-P285 HydrophobicContact CD1-CG 3.98Å
159A94.4Very high93.8Very high54 Ų5424 Ų2445%0.44617%0.169SC..THydrogen-bonded Turntrans-55.6136.6172.400000110.7Q161 V190A159-Q161 VanDerWaalsContact C-N 3.28Å; A159-V190 CarbonylContact C-O 3.43Å; A159-V190 WeakPolarHBondContact CA-O 3.47Å
160G92.5Very high92.3Very high29 Ų2926 Ų2630%0.29918%0.18SC..THydrogen-bonded Turntrans82.7-4.8-173.300000114.8L158 S162 V190L158-G160 PolarHBondContact O-N 3.47Å; G160-S162 PolarHBondContact O-N 2.95Å; G160-V190 PolarHBondContact N-O 2.84Å
161Q93.8Very high90.3Very high31 Ų3129 Ų2915%0.14520%0.197CC..  trans-60.1120.5170.817559.26000109.5F157 L158 A159 S163 V190 F281F157-Q161 HydrophobicContact CD1-CG 4.4Å; L158-Q161 WeakPolarHBondContact O-CB 3.25Å; L158-Q161 PolarHBondContact O-N 2.85Å; A159-Q161 VanDerWaalsContact C-N 3.28Å; Q161-S163 PolarHBondContact O-N 2.83Å; Q161-V190 HydrophobicContact CB-CB 4.22Å; Q161-V190 HydrophobicContact CB-CG2 4.08Å; Q161-V190 HydrophobicContact CG-CG2 4.47Å; Q161-V190 WeakPolarHBondContact O-CG2 3.39Å; Q161-V190 PolarHBondContact O-N 2.9Å; Q161-F281 HydrophobicContact CG-CE1 4.11Å; Q161-F281 HydrophobicContact CG-CZ 4.27Å
162S92.8Very high88.3Confident38 Ų3836.7 Ų36.727%0.26623%0.227SC..EExtended strand (participates in β ladder)trans-65131.5174.8166.60000110.4G160 E187G160-S162 PolarHBondContact O-N 2.95Å; S162-E187 WeakPolarHBondContact CB-OE1 3.26Å; S162-E187 WeakPolarHBondContact OG-CG 3.29Å; S162-E187 PolarHBondContact OG-OE1 2.83Å
163S94Very high86.4Confident0 Ų041.1 Ų41.10%025%0.245CC..EExtended strand (participates in β ladder)trans-136.7155.7175.2-57.90000110.1Q161 E187 I188 V229 S230Q161-S163 PolarHBondContact O-N 2.83Å; S163-E187 CarbonylContact O-C 3.51Å; S163-E187 WeakPolarHBondContact O-CA 3.45Å; S163-I188 PolarHBondContact N-O 2.9Å; S163-I188 PolarHBondContact O-N 3Å; S163-V229 CarbonylContact C-O 3.57Å; S163-V229 VanDerWaalsContact CA-O 3.29Å; S163-V229 WeakPolarHBondContact CA-O 3.43Å; S163-S230 PolarHBondContact OG-OG 2.86Å
164W94.3Very high84.5Confident32 Ų3246 Ų4612%0.12126%0.258CS..EExtended strand (participates in β ladder)trans-115.8136.9179.1-73.174.7000109.9W53 E185 A186 E187 M228 V229 W236W53-W164 HydrophobicContact CH2-CB 3.52Å; W53-W164 AromaticContact CH2-CD2 3.87Å; W53-W164 HydrophobicContact CH2-CD2 3.87Å; W53-W164 HydrophobicContact CH2-CE3 4.15Å; W53-W164 AromaticContact CH2-CG 3.6Å; W53-W164 HydrophobicContact CH2-CG 3.6Å; W53-W164 HydrophobicContact CZ2-CB 4.06Å; W53-W164 AromaticContact CZ2-CD2 3.89Å; W53-W164 HydrophobicContact CZ2-CD2 3.89Å; W53-W164 AromaticContact CZ2-CE3 3.68Å; W53-W164 HydrophobicContact CZ2-CE3 3.68Å; W53-W164 HydrophobicContact CZ2-CG 4.08Å; W53-W164 HydrophobicContact CZ2-CZ3 4.41Å; W53-W164 HydrophobicContact CZ3-CB 4.2Å; W164-E185 HydrophobicContact CE3-CB 4.05Å; W164-E185 HydrophobicContact CE3-CG 4.41Å; W164-E185 HydrophobicContact CZ3-CB 4.08Å; W164-E185 HydrophobicContact CZ3-CG 3.92Å; W164-A186 WeakPolarHBondContact CA-O 3.07Å; W164-E187 HydrophobicContact CD2-CB 4.07Å; W164-E187 HydrophobicContact CE3-CB 4.32Å; W164-E187 HydrophobicContact CH2-CB 4.1Å; W164-E187 HydrophobicContact CZ2-CB 3.79Å; W164-E187 HydrophobicContact CZ2-CG 4.2Å; W164-E187 HydrophobicContact CZ3-CB 4.34Å; W164-M228 CarbonylContact O-C 3.55Å; W164-M228 WeakPolarHBondContact O-CA 3.25Å; W164-V229 HydrophobicContact CB-CG2 4.03Å; W164-V229 PolarHBondContact N-O 3.22Å; W164-V229 PolarHBondContact O-N 3.09Å; W164-W236 HydrophobicContact CB-CZ3 4.32Å; W164-W236 AromaticContact CD1-CH2 3.55Å; W164-W236 AromaticContact CD1-CZ3 3.54Å; W164-W236 HydrophobicContact CG-CH2 4.11Å; W164-W236 HydrophobicContact CG-CZ3 4.07Å; W164-W236 AromaticContact NE1-CH2 3.86Å
165I93.9Very high83.1Confident9 Ų942.7 Ų42.75%0.04622%0.224CC..EExtended strand (participates in β ladder)trans-115.3147.9170.356164.4000109.3E185 A186 I188 D218 M228 Y257I165-E185 WeakPolarHBondContact O-CA 3.36Å; I165-A186 HydrophobicContact CD1-CB 4.34Å; I165-A186 HydrophobicContact CG1-CB 3.97Å; I165-A186 WeakPolarHBondContact CG1-O 3.32Å; I165-A186 PolarHBondContact N-O 3.36Å; I165-A186 PolarHBondContact O-N 3.06Å; I165-I188 HydrophobicContact CD1-CD1 4.05Å; I165-I188 HydrophobicContact CG1-CD1 4.14Å; I165-I188 HydrophobicContact CG2-CD1 3.65Å; I165-I188 HydrophobicContact CG2-CG1 4.29Å; I165-D218 VanDerWaalsContact CD1-C 3.43Å; I165-M228 HydrophobicContact CG2-CB 3.89Å; I165-M228 HydrophobicContact CG2-CG 3.81Å; I165-M228 HydrophobicContact CG2-SD 4.49Å; I165-Y257 HydrophobicContact CG2-CE1 3.73Å
166T94.4Very high81.8Confident4 Ų446 Ų463%0.02525%0.246CC..EExtended strand (participates in β ladder)trans-141.8143.9-177.252.50000111.2W53 Q56 Q184 E185W53-T166 HydrophobicContact CB-CG2 4.34Å; W53-T166 VanDerWaalsContact CD1-CG2 3.49Å; W53-T166 HydrophobicContact CD2-CG2 3.58Å; W53-T166 HydrophobicContact CE3-CG2 4.3Å; W53-T166 HydrophobicContact CG-CG2 3.55Å; W53-T166 HydrophobicContact CZ2-CG2 4.26Å; Q56-T166 PolarHBondContact OE1-O 3.39Å; Q56-T166 PolarHBondContact OE1-OG1 3.14Å; T166-Q184 VanDerWaalsContact CA-O 3.26Å; T166-Q184 WeakPolarHBondContact CA-O 3.32Å; T166-E185 HydrophobicContact CG2-CB 3.98Å
167G93.6Very high81.2Confident4 Ų442.5 Ų42.54%0.04123%0.227CC..EExtended strand (participates in β ladder)trans170.8-178.5175.100000114.7Q184 D223G167-Q184 PolarHBondContact N-O 3.2Å; G167-Q184 VanDerWaalsContact N-O 3.16Å; G167-Q184 PolarHBondContact O-N 2.87Å; G167-D223 WeakPolarHBondContact CA-OD1 3.35Å
168W91.3Very high80.6Confident14 Ų1446.7 Ų46.75%0.05326%0.255CS..SBendtrans-112.515.7-180-65.7-84.2000112.3Q56 R97 H98 Q100 L177 Q181 L183 D223Q56-W168 HydrophobicContact CG-CE3 4.47Å; Q56-W168 HydrophobicContact CG-CH2 3.49Å; Q56-W168 VanDerWaalsContact CG-CH2 3.49Å; Q56-W168 HydrophobicContact CG-CZ3 3.46Å; Q56-W168 VanDerWaalsContact CG-CZ3 3.46Å; R97-W168 HydrophobicContact CB-CH2 4.41Å; R97-W168 HydrophobicContact CB-CZ2 4.37Å; R97-W168 HydrophobicContact CG-CH2 4.38Å; R97-W168 HydrophobicContact CG-CZ2 3.99Å; R97-W168 VanDerWaalsContact O-CZ2 3.32Å; R97-W168 WeakPolarHBondContact O-CZ2 3.49Å; H98-W168 PolarHBondContact O-NE1 3.04Å; H98-W168 VanDerWaalsContact O-NE1 3.17Å; Q100-W168 HydrophobicContact CG-CB 4.09Å; Q100-W168 HydrophobicContact CG-CG 3.86Å; Q100-W168 VanDerWaalsContact NE2-CG 3.32Å; W168-L177 HydrophobicContact CB-CD1 4.1Å; W168-L177 WeakPolarHBondContact O-CD1 3.49Å; W168-Q181 PolarHBondContact NE1-O 2.87Å; W168-L183 HydrophobicContact CD2-CD1 3.84Å; W168-L183 HydrophobicContact CE3-CD1 4.01Å; W168-L183 HydrophobicContact CH2-CD1 3.93Å; W168-L183 HydrophobicContact CZ2-CB 3.77Å; W168-L183 HydrophobicContact CZ2-CD1 3.74Å; W168-L183 HydrophobicContact CZ2-CD2 4.3Å; W168-L183 HydrophobicContact CZ2-CG 4.14Å; W168-L183 HydrophobicContact CZ3-CD1 4.06Å; W168-L183 VanDerWaalsContact NE1-CA 3.26Å; W168-L183 VanDerWaalsContact NE1-N 3.12Å; W168-D223 PolarHBondContact N-OD1 2.88Å
169G78.2Confident80.2Confident4 Ų451.7 Ų51.74%0.04128%0.275CS..SBendtrans-63.7172.2175.400000112.6Q221 D223G169-Q221 CarbonylContact C-O 3.57Å; G169-Q221 WeakPolarHBondContact CA-O 3.37Å; G169-D223 VanDerWaalsContact CA-OD1 3.3Å; G169-D223 WeakPolarHBondContact CA-OD1 3.49Å; G169-D223 PolarHBondContact N-OD1 3.25Å
170N65.2Low80Confident43 Ų4350.7 Ų50.723%0.2326%0.264CS..  trans-60.2139.9-177.6-68.3-24.5000111.4R172 G175 P176 C220 Q221N170-R172 VanDerWaalsContact CB-O 3.25Å; N170-R172 WeakPolarHBondContact CB-O 3.3Å; N170-R172 PolarHBondContact O-N 3.21Å; N170-G175 VanDerWaalsContact CA-O 3.29Å; N170-G175 WeakPolarHBondContact CA-O 3.4Å; N170-G175 WeakPolarHBondContact CB-O 3.36Å; N170-G175 PolarHBondContact OD1-O 2.92Å; N170-P176 WeakPolarHBondContact OD1-CA 3.26Å; N170-C220 HydrophobicContact CB-CB 4.38Å; N170-C220 WeakPolarHBondContact O-CB 3.05Å; N170-C220 PolarHBondContact O-SG 3.1Å; N170-C220 VanDerWaalsContact O-SG 3.39Å; N170-Q221 PolarHBondContact N-O 2.95Å
171V56.8Low79.9Confident63 Ų6351.2 Ų51.238%0.38226%0.258SS..SBendtrans-79.2-4.6176.4-730000113.8G175 L177V171-G175 PolarHBondContact N-O 2.93Å; V171-L177 HydrophobicContact CG1-CD2 3.26Å; V171-L177 HydrophobicContact CG1-CG 4.15Å
172R57.2Low79.9Confident163 Ų16350.2 Ų50.262%0.61525%0.254SS*.BIsolated β-bridgetrans-160.3159.6177.155.7-179.1173.5-101.3-0.8108.3N170 Q174 G175N170-R172 VanDerWaalsContact CB-O 3.25Å; N170-R172 WeakPolarHBondContact CB-O 3.3Å; N170-R172 PolarHBondContact O-N 3.21Å; R172-Q174 PolarHBondContact O-N 2.8Å; R172-G175 PolarHBondContact O-N 3.11Å
173F55.6Low79.9Confident101 Ų10148.8 Ų48.844%0.44324%0.244SC..THydrogen-bonded Turntrans-50116.8173-171-107.1000110.1G175 E247F173-G175 PolarHBondContact O-N 3.27Å; F173-E247 HydrophobicContact CD2-CB 4.36Å; F173-E247 HydrophobicContact CD2-CG 4.43Å; F173-E247 HydrophobicContact CE2-CG 4.48Å
174Q57.5Low79.8Confident153 Ų15350.2 Ų50.272%0.71525%0.251SS*.THydrogen-bonded Turntrans62.828.2-179.2-53.8-175.9-0.100117.6R172R172-Q174 PolarHBondContact O-N 2.8Å
175G63.1Low79.7Confident3 Ų348.8 Ų48.83%0.03125%0.245CC..BIsolated β-bridgetrans-122.4114.1173.400000113.2N170 V171 R172 F173N170-G175 VanDerWaalsContact CA-O 3.29Å; N170-G175 WeakPolarHBondContact CA-O 3.4Å; N170-G175 WeakPolarHBondContact CB-O 3.36Å; N170-G175 PolarHBondContact OD1-O 2.92Å; V171-G175 PolarHBondContact N-O 2.93Å; R172-G175 PolarHBondContact O-N 3.11Å; F173-G175 PolarHBondContact O-N 3.27Å
176P69.1Low79.4Confident81 Ų8148.9 Ų48.953%0.52625%0.247SC..PPolyproline II helixtrans-63.2157177.228.3-34.4000110.6N170N170-P176 WeakPolarHBondContact OD1-CA 3.26Å
177L77.4Confident79.2Confident8 Ų851.9 Ų51.94%0.04226%0.261CS..PPolyproline II helixtrans-54.8141.5169.2-81.3166.7000110.8W168 V171 Q181 Q184W168-L177 HydrophobicContact CB-CD1 4.1Å; W168-L177 WeakPolarHBondContact O-CD1 3.49Å; V171-L177 HydrophobicContact CG1-CD2 3.26Å; V171-L177 HydrophobicContact CG1-CG 4.15Å; L177-Q181 HydrophobicContact CB-CB 3.87Å; L177-Q181 HydrophobicContact CB-CG 3.72Å; L177-Q181 HydrophobicContact CD1-CB 4.32Å; L177-Q181 WeakPolarHBondContact O-CG 3.46Å; L177-Q181 PolarHBondContact O-NE2 3.18Å; L177-Q184 HydrophobicContact CD1-CG 4.21Å; L177-Q184 HydrophobicContact CD2-CG 3.5Å; L177-Q184 HydrophobicContact CG-CG 4.47Å
178P82.4Confident79.1Confident95 Ų9551.8 Ų51.862%0.61726%0.259SS*.PPolyproline II helixtrans-62.9153169.929.2-33.3000109.8Q181P178-Q181 WeakPolarHBondContact O-CA 3.35Å; P178-Q181 PolarHBondContact O-N 2.76Å
179F85.8Confident79.2Confident156 Ų15653 Ų5368%0.68427%0.269SS*.THydrogen-bonded Turntrans-51.5136.1170.8176.8-87000110.2Q101Q101-F179 HydrophobicContact CB-CD2 4.18Å; Q101-F179 HydrophobicContact CB-CE2 4.2Å
180P90.7Very high80Confident33 Ų3353.1 Ų53.121%0.21427%0.269CS..THydrogen-bonded Turncis-92.9178.338-36.9000114.6T99 Q100 Q101 S102T99-P180 HydrophobicContact CG2-CB 4.33Å; T99-P180 HydrophobicContact CG2-CG 4.02Å; Q100-P180 PolarHBondContact N-O 2.78Å; Q101-P180 PolarHBondContact N-O 2.86Å; S102-P180 WeakPolarHBondContact OG-CB 3.47Å
181Q90.6Very high81.5Confident40 Ų4051.6 Ų51.619%0.18726%0.261CS..  trans60.157.9-172.6-53.7-174.2-2900111.1T99 Q100 Q101 W168 L177 P178T99-Q181 WeakPolarHBondContact CA-O 3.24Å; Q100-Q181 HydrophobicContact CB-CB 3.87Å; Q100-Q181 HydrophobicContact CG-CB 4.17Å; Q100-Q181 PolarHBondContact N-O 2.87Å; Q100-Q181 VanDerWaalsContact N-O 3.12Å; Q101-Q181 HydrophobicContact CG-CG 4.19Å; W168-Q181 PolarHBondContact NE1-O 2.87Å; L177-Q181 HydrophobicContact CB-CB 3.87Å; L177-Q181 HydrophobicContact CB-CG 3.72Å; L177-Q181 HydrophobicContact CD1-CB 4.32Å; L177-Q181 WeakPolarHBondContact O-CG 3.46Å; L177-Q181 PolarHBondContact O-NE2 3.18Å; P178-Q181 WeakPolarHBondContact O-CA 3.35Å; P178-Q181 PolarHBondContact O-N 2.76Å
182T93.2Very high83.3Confident10 Ų1050.2 Ų50.26%0.06125%0.254CS..BIsolated β-bridgetrans-61.6143.3172.9-46.10000110.4D47 H98 Q184D47-T182 HydrophobicContact CB-CG2 3.9Å; D47-T182 WeakPolarHBondContact OD2-CB 3.32Å; D47-T182 PolarHBondContact OD2-OG1 3.46Å; D47-T182 VanDerWaalsContact OD2-OG1 3.09Å; H98-T182 VanDerWaalsContact NE2-CG2 3.29Å; H98-T182 WeakPolarHBondContact NE2-CG2 3.43Å; T182-Q184 PolarHBondContact O-N 2.9Å; T182-Q184 PolarHBondContact O-NE2 2.64Å
183L94Very high85.1Confident8 Ų844.3 Ų44.34%0.04224%0.235CC..PPolyproline II helixtrans-52.7129.9170.4178.162.5000109.3A48 W53 Q56 H98 W168A48-L183 HydrophobicContact CB-CB 4.25Å; A48-L183 HydrophobicContact CB-CD2 4.12Å; A48-L183 HydrophobicContact CB-CG 3.98Å; A48-L183 WeakPolarHBondContact CB-O 3.19Å; A48-L183 PolarHBondContact N-O 2.92Å; W53-L183 HydrophobicContact CB-CD2 4.43Å; Q56-L183 HydrophobicContact CB-CD2 4.27Å; Q56-L183 HydrophobicContact CG-CD1 3.85Å; Q56-L183 HydrophobicContact CG-CD2 4.06Å; H98-L183 PolarHBondContact O-N 2.92Å; W168-L183 HydrophobicContact CD2-CD1 3.84Å; W168-L183 HydrophobicContact CE3-CD1 4.01Å; W168-L183 HydrophobicContact CH2-CD1 3.93Å; W168-L183 HydrophobicContact CZ2-CB 3.77Å; W168-L183 HydrophobicContact CZ2-CD1 3.74Å; W168-L183 HydrophobicContact CZ2-CD2 4.3Å; W168-L183 HydrophobicContact CZ2-CG 4.14Å; W168-L183 HydrophobicContact CZ3-CD1 4.06Å; W168-L183 VanDerWaalsContact NE1-CA 3.26Å; W168-L183 VanDerWaalsContact NE1-N 3.12Å
184Q92.1Very high87Confident31 Ų3143.8 Ų43.815%0.14524%0.244CC..EExtended strand (participates in β ladder)trans-97.5153.5175.5-57.8-58.6-67.600110.9Q46 D47 T166 G167 L177 T182Q46-Q184 VanDerWaalsContact C-OE1 3.28Å; Q46-Q184 CarbonylContact O-C 3.53Å; Q46-Q184 WeakPolarHBondContact O-CA 3.35Å; Q46-Q184 PolarHBondContact O-OE1 2.81Å; D47-Q184 PolarHBondContact OD1-NE2 3.22Å; T166-Q184 VanDerWaalsContact CA-O 3.26Å; T166-Q184 WeakPolarHBondContact CA-O 3.32Å; G167-Q184 PolarHBondContact N-O 3.2Å; G167-Q184 VanDerWaalsContact N-O 3.16Å; G167-Q184 PolarHBondContact O-N 2.87Å; L177-Q184 HydrophobicContact CD1-CG 4.21Å; L177-Q184 HydrophobicContact CD2-CG 3.5Å; L177-Q184 HydrophobicContact CG-CG 4.47Å; T182-Q184 PolarHBondContact O-N 2.9Å; T182-Q184 PolarHBondContact O-NE2 2.64Å
185E91.2Very high88.7Confident2 Ų240 Ų401%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-132.1144.5169.860.9176.6-142.200110.9S37 G45 Q46 A48 W53 W164 I165 T166S37-E185 WeakPolarHBondContact CB-OE1 3.34Å; S37-E185 VanDerWaalsContact OG-CD 3.3Å; S37-E185 PolarHBondContact OG-OE1 3.29Å; S37-E185 PolarHBondContact OG-OE2 2.96Å; G45-E185 WeakPolarHBondContact CA-O 3.05Å; Q46-E185 HydrophobicContact CG-CG 3.75Å; Q46-E185 PolarHBondContact N-O 2.74Å; Q46-E185 PolarHBondContact NE2-OE1 2.91Å; Q46-E185 PolarHBondContact O-N 3.09Å; A48-E185 HydrophobicContact CB-CB 4.11Å; A48-E185 HydrophobicContact CB-CG 3.98Å; W53-E185 HydrophobicContact CZ2-CB 4.37Å; W53-E185 PolarHBondContact NE1-OE2 3.41Å; W164-E185 HydrophobicContact CE3-CB 4.05Å; W164-E185 HydrophobicContact CE3-CG 4.41Å; W164-E185 HydrophobicContact CZ3-CB 4.08Å; W164-E185 HydrophobicContact CZ3-CG 3.92Å; I165-E185 WeakPolarHBondContact O-CA 3.36Å; T166-E185 HydrophobicContact CG2-CB 3.98Å
186A88.8Confident90.2Very high10 Ų1039.9 Ų39.98%0.08323%0.225CC..EExtended strand (participates in β ladder)trans-144.3137173.700000111.8W164 I165W164-A186 WeakPolarHBondContact CA-O 3.07Å; I165-A186 HydrophobicContact CD1-CB 4.34Å; I165-A186 HydrophobicContact CG1-CB 3.97Å; I165-A186 WeakPolarHBondContact CG1-O 3.32Å; I165-A186 PolarHBondContact N-O 3.36Å; I165-A186 PolarHBondContact O-N 3.06Å
187E90.1Very high91.4Very high68 Ų6838.9 Ų38.932%0.31822%0.219SC..EExtended strand (participates in β ladder)trans-89.5126.2171.1-170.7-178-158.500110.2S162 S163 W164 R217S162-E187 WeakPolarHBondContact CB-OE1 3.26Å; S162-E187 WeakPolarHBondContact OG-CG 3.29Å; S162-E187 PolarHBondContact OG-OE1 2.83Å; S163-E187 CarbonylContact O-C 3.51Å; S163-E187 WeakPolarHBondContact O-CA 3.45Å; W164-E187 HydrophobicContact CD2-CB 4.07Å; W164-E187 HydrophobicContact CE3-CB 4.32Å; W164-E187 HydrophobicContact CH2-CB 4.1Å; W164-E187 HydrophobicContact CZ2-CB 3.79Å; W164-E187 HydrophobicContact CZ2-CG 4.2Å; W164-E187 HydrophobicContact CZ3-CB 4.34Å; E187-R217 WeakPolarHBondContact O-CD 3.39Å; E187-R217 PolarHBondContact O-NH1 2.98Å
188I90.4Very high92.1Very high2 Ų244 Ų441%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-135.6144.9179.357.5174.7000111.1S163 I165 A210 R217 M228 Y257S163-I188 PolarHBondContact N-O 2.9Å; S163-I188 PolarHBondContact O-N 3Å; I165-I188 HydrophobicContact CD1-CD1 4.05Å; I165-I188 HydrophobicContact CG1-CD1 4.14Å; I165-I188 HydrophobicContact CG2-CD1 3.65Å; I165-I188 HydrophobicContact CG2-CG1 4.29Å; I188-A210 HydrophobicContact CD1-CB 3.53Å; I188-A210 HydrophobicContact CG1-CB 3.97Å; I188-R217 HydrophobicContact CG2-CB 3.85Å; I188-M228 HydrophobicContact CD1-SD 4.45Å; I188-Y257 HydrophobicContact CD1-CE2 4.47Å; I188-Y257 VanDerWaalsContact CD1-OH 3.3Å; I188-Y257 WeakPolarHBondContact CD1-OH 3Å
189P93.9Very high92.6Very high39 Ų3941 Ų4125%0.25323%0.233SC..EExtended strand (participates in β ladder)trans-82.5146.2175.132.8-32.9000111.1A210 G211 L212P189-A210 CarbonylContact O-C 3.43Å; P189-A210 WeakPolarHBondContact O-CA 2.99Å; P189-A210 WeakPolarHBondContact O-CB 3.39Å; P189-G211 WeakPolarHBondContact CG-O 3.39Å; P189-G211 PolarHBondContact O-N 2.87Å; P189-L212 HydrophobicContact CG-CD2 4.05Å
190V95.8Very high92.8Very high6 Ų634.8 Ų34.84%0.03621%0.205CC..EExtended strand (participates in β ladder)trans-64.7139167.9172.90000110.1F157 A159 G160 Q161 I208F157-V190 HydrophobicContact CB-CG2 4.32Å; F157-V190 WeakPolarHBondContact O-CG1 3.37Å; A159-V190 CarbonylContact C-O 3.43Å; A159-V190 WeakPolarHBondContact CA-O 3.47Å; G160-V190 PolarHBondContact N-O 2.84Å; Q161-V190 HydrophobicContact CB-CB 4.22Å; Q161-V190 HydrophobicContact CB-CG2 4.08Å; Q161-V190 HydrophobicContact CG-CG2 4.47Å; Q161-V190 WeakPolarHBondContact O-CG2 3.39Å; Q161-V190 PolarHBondContact O-N 2.9Å; V190-I208 HydrophobicContact CG1-CD1 4.11Å; V190-I208 HydrophobicContact CG1-CG1 4.19Å; V190-I208 HydrophobicContact CG2-CD1 4.32Å
191V95.3Very high92.5Very high11 Ų1139.5 Ų39.57%0.06724%0.239CC..EExtended strand (participates in β ladder)trans-109.8134.7175.6178.40000108.5Q195 C196 C209 P254V191-Q195 HydrophobicContact CG1-CB 3.85Å; V191-Q195 HydrophobicContact CG1-CG 3.86Å; V191-C196 HydrophobicContact CG1-CB 4.37Å; V191-C209 HydrophobicContact CB-CB 4.11Å; V191-C209 PolarHBondContact N-O 3.44Å; V191-P254 HydrophobicContact CB-CB 4.46Å; V191-P254 HydrophobicContact CG1-CG 4.38Å; V191-P254 HydrophobicContact CG2-CB 4.08Å
192S95.4Very high92.4Very high35 Ų3540.1 Ų40.125%0.24525%0.247CC..  trans-60.2145.2177.566.50000111.1S194 Q195 C196S192-S194 PolarHBondContact O-N 2.96Å; S192-S194 PolarHBondContact OG-OG 3.17Å; S192-S194 VanDerWaalsContact OG-OG 3.09Å; S192-Q195 PolarHBondContact O-N 3.45Å; S192-Q195 VanDerWaalsContact O-N 3.1Å; S192-Q195 VanDerWaalsContact OG-CB 3.23Å; S192-Q195 WeakPolarHBondContact OG-CB 3.41Å; S192-Q195 PolarHBondContact OG-N 2.9Å; S192-C196 WeakPolarHBondContact O-CB 3.38Å; S192-C196 PolarHBondContact O-N 3.15Å
193N95.1Very high92.5Very high39 Ų3940.8 Ų40.821%0.20925%0.25CS..Hα-helixtrans-59-33.9176.8-79.735.5000112C196 S197 I203 T204 M207 R259N193-C196 PolarHBondContact O-N 2.94Å; N193-S197 WeakPolarHBondContact O-CB 3.33Å; N193-S197 PolarHBondContact O-N 2.83Å; N193-S197 PolarHBondContact O-OG 3.08Å; N193-I203 HydrophobicContact CB-CG2 4.14Å; N193-T204 PolarHBondContact ND2-O 3.35Å; N193-M207 PolarHBondContact ND2-O 3.05Å; N193-M207 PolarHBondContact OD1-O 3.02Å; N193-R259 PolarHBondContact OD1-NH2 2.88Å
194S94.6Very high92.7Very high89 Ų8942.3 Ų42.362%0.62226%0.26SS*.Hα-helixtrans-62.6-43.3175.649.10000112.4S192 S197S192-S194 PolarHBondContact O-N 2.96Å; S192-S194 PolarHBondContact OG-OG 3.17Å; S192-S194 VanDerWaalsContact OG-OG 3.09Å; S194-S197 PolarHBondContact O-N 3.16Å
195Q93.4Very high92.9Very high75 Ų7544.1 Ų44.135%0.3528%0.276SS..Hα-helixtrans-70.7-40.8175.1-176.9180-1.800111.1V191 S192 S197 T198V191-Q195 HydrophobicContact CG1-CB 3.85Å; V191-Q195 HydrophobicContact CG1-CG 3.86Å; S192-Q195 PolarHBondContact O-N 3.45Å; S192-Q195 VanDerWaalsContact O-N 3.1Å; S192-Q195 VanDerWaalsContact OG-CB 3.23Å; S192-Q195 WeakPolarHBondContact OG-CB 3.41Å; S192-Q195 PolarHBondContact OG-N 2.9Å; Q195-S197 PolarHBondContact O-N 3.42Å; Q195-T198 WeakPolarHBondContact O-CB 3.39Å; Q195-T198 PolarHBondContact O-N 3.44Å; Q195-T198 PolarHBondContact O-OG1 3.04Å
196C94.3Very high93.2Very high0 Ų045.6 Ų45.60%028%0.284CS..Hα-helixtrans-60.9-35176.5-165.30000112.2V191 S192 N193 T198 S199 Y200 I203 C209 P254V191-C196 HydrophobicContact CG1-CB 4.37Å; S192-C196 WeakPolarHBondContact O-CB 3.38Å; S192-C196 PolarHBondContact O-N 3.15Å; N193-C196 PolarHBondContact O-N 2.94Å; C196-T198 PolarHBondContact O-N 3.28Å; C196-S199 PolarHBondContact O-N 2.86Å; C196-Y200 PolarHBondContact O-N 3.39Å; C196-Y200 VanDerWaalsContact O-N 3.08Å; C196-I203 HydrophobicContact CB-CG1 4.33Å; C196-C209 HydrophobicContact CB-CB 3.56Å; C196-C209 WeakPolarHBondContact CB-SG 2.86Å; C196-C209 WeakPolarHBondContact SG-CB 3.29Å; C196-C209 CovalentContact SG-SG 2.02Å; C196-C209 PolarHBondContact SG-SG 3.27Å; C196-P254 HydrophobicContact CB-CG 4.46Å
197S94.7Very high93.6Very high59 Ų5945.3 Ų45.341%0.41328%0.281SS..THydrogen-bonded Turntrans-68.5-11.9177-55.90000113.8N193 S194 Q195 S199 Y200N193-S197 WeakPolarHBondContact O-CB 3.33Å; N193-S197 PolarHBondContact O-N 2.83Å; N193-S197 PolarHBondContact O-OG 3.08Å; S194-S197 PolarHBondContact O-N 3.16Å; Q195-S197 PolarHBondContact O-N 3.42Å; S197-S199 VanDerWaalsContact C-N 3.27Å; S197-Y200 CarbonylContact C-O 3.56Å; S197-Y200 VanDerWaalsContact CA-O 3.3Å; S197-Y200 WeakPolarHBondContact CA-O 3.05Å
198T93.3Very high94Very high115 Ų11542 Ų4271%0.70627%0.266SS*.THydrogen-bonded Turntrans-76.2-22170.670.60000111.9Q195 C196Q195-T198 WeakPolarHBondContact O-CB 3.39Å; Q195-T198 PolarHBondContact O-N 3.44Å; Q195-T198 PolarHBondContact O-OG1 3.04Å; C196-T198 PolarHBondContact O-N 3.28Å
199S91.2Very high94.3Very high33 Ų3342 Ų4223%0.23127%0.265CS..THydrogen-bonded Turntrans-99.9-27.8-179.5-48.90000112.2C196 S197 G252 Y253C196-S199 PolarHBondContact O-N 2.86Å; S197-S199 VanDerWaalsContact C-N 3.27Å; S199-G252 WeakPolarHBondContact CB-O 3.25Å; S199-G252 PolarHBondContact OG-O 2.89Å; S199-Y253 WeakPolarHBondContact O-CE1 3.08Å
200Y90.6Very high94.3Very high26 Ų2640.1 Ų40.110%0.10225%0.253CS..  trans-131.1138.2-178.3-57.1-81000111.3C196 S197 I203 F244 F246 Y253 P254 V256C196-Y200 PolarHBondContact O-N 3.39Å; C196-Y200 VanDerWaalsContact O-N 3.08Å; S197-Y200 CarbonylContact C-O 3.56Å; S197-Y200 VanDerWaalsContact CA-O 3.3Å; S197-Y200 WeakPolarHBondContact CA-O 3.05Å; Y200-I203 HydrophobicContact CD2-CD1 4.02Å; Y200-I203 HydrophobicContact CD2-CG1 4.5Å; Y200-I203 HydrophobicContact CG-CD1 4.1Å; Y200-F244 HydrophobicContact CD1-CE2 4.32Å; Y200-F244 HydrophobicContact CE1-CE2 4.38Å; Y200-F246 HydrophobicContact CE1-CB 4.1Å; Y200-F246 PolarHBondContact OH-N 2.98Å; Y200-F246 VanDerWaalsContact OH-N 3.1Å; Y200-Y253 AromaticContact CE1-CD1 3.98Å; Y200-Y253 HydrophobicContact CE1-CD1 3.98Å; Y200-Y253 HydrophobicContact CE2-CD1 4.43Å; Y200-Y253 AromaticContact CZ-CD1 3.9Å; Y200-P254 HydrophobicContact CE2-CG 4.25Å; Y200-P254 VanDerWaalsContact CE2-O 3.24Å; Y200-P254 WeakPolarHBondContact CE2-O 3.35Å; Y200-P254 PolarHBondContact OH-O 3.2Å; Y200-V256 HydrophobicContact CD2-CG2 4.07Å; Y200-V256 HydrophobicContact CE2-CG2 3.76Å
201S84.9Confident94.1Very high132 Ų13240 Ų4092%0.92325%0.254SS*.THydrogen-bonded Turntrans-81.7-10-177.852.30000115
202S88.6Confident93.6Very high52 Ų5241.2 Ų41.236%0.36426%0.26SS..THydrogen-bonded Turntrans-125.426.3-167.657.30000114.9T204S202-T204 PolarHBondContact O-N 2.53Å
203I95.8Very high92.8Very high25 Ų2544 Ų4413%0.12828%0.275CS..  trans-72.4118.3179.2-57.7-57.4000111N193 C196 Y200 M207 F244 V256N193-I203 HydrophobicContact CB-CG2 4.14Å; C196-I203 HydrophobicContact CB-CG1 4.33Å; Y200-I203 HydrophobicContact CD2-CD1 4.02Å; Y200-I203 HydrophobicContact CD2-CG1 4.5Å; Y200-I203 HydrophobicContact CG-CD1 4.1Å; I203-M207 HydrophobicContact CD1-SD 4.26Å; I203-M207 HydrophobicContact CG2-CB 4.38Å; I203-F244 HydrophobicContact CD1-CZ 4.46Å; I203-V256 HydrophobicContact CD1-CG1 4.1Å; I203-V256 HydrophobicContact CD1-CG2 3.93Å
204T96.7Very high92Very high39 Ų3948.7 Ų48.724%0.23930%0.296CS..  trans-98.1173.5178.878.10000112.2D127 N193 S202 N206 M207D127-T204 HydrophobicContact CB-CG2 4.34Å; D127-T204 PolarHBondContact OD1-OG1 2.96Å; N193-T204 PolarHBondContact ND2-O 3.35Å; S202-T204 PolarHBondContact O-N 2.53Å; T204-N206 PolarHBondContact O-N 2.79Å; T204-N206 WeakPolarHBondContact OG1-CB 3.3Å; T204-N206 PolarHBondContact OG1-N 3.18Å; T204-M207 HydrophobicContact CG2-CE 4Å; T204-M207 HydrophobicContact CG2-SD 4.42Å; T204-M207 PolarHBondContact O-N 2.56Å
205S96.6Very high91.2Very high69 Ų6944.7 Ų44.748%0.48327%0.269SS..THydrogen-bonded Turntrans-71.3-13.1173.579.30000114.1M207 R259 R262S205-M207 VanDerWaalsContact C-N 3.27Å; S205-R259 PolarHBondContact O-NE 2.69Å; S205-R262 PolarHBondContact O-NE 3.05Å
206N97.9Very high90.1Very high33 Ų3343 Ų4318%0.17627%0.271CS..THydrogen-bonded Turntrans-84.9-1.9174.7-59.5-33.3000112.7D127 N128 T204 R259 Y263D127-N206 VanDerWaalsContact OD1-CB 3.3Å; D127-N206 WeakPolarHBondContact OD1-CB 3.3Å; D127-N206 PolarHBondContact OD1-ND2 2.64Å; D127-N206 PolarHBondContact OD2-ND2 3.33Å; N128-N206 PolarHBondContact OD1-ND2 2.8Å; T204-N206 PolarHBondContact O-N 2.79Å; T204-N206 WeakPolarHBondContact OG1-CB 3.3Å; T204-N206 PolarHBondContact OG1-N 3.18Å; N206-R259 VanDerWaalsContact O-CB 3.3Å; N206-R259 WeakPolarHBondContact O-CB 3.33Å; N206-R259 PolarHBondContact O-N 2.78Å; N206-Y263 WeakPolarHBondContact CB-OH 3.48Å; N206-Y263 PolarHBondContact O-OH 2.84Å
207M98.1Very high88.9Confident4 Ų444.9 Ų44.92%0.0228%0.278CS..EExtended strand (participates in β ladder)trans-110.8148.1178.8-61.6170.3-172.400111T125 D127 N193 I203 T204 S205 F244 V256 Y257 R259T125-M207 WeakPolarHBondContact O-CE 3.25Å; D127-M207 HydrophobicContact CB-CE 4.15Å; N193-M207 PolarHBondContact ND2-O 3.05Å; N193-M207 PolarHBondContact OD1-O 3.02Å; I203-M207 HydrophobicContact CD1-SD 4.26Å; I203-M207 HydrophobicContact CG2-CB 4.38Å; T204-M207 HydrophobicContact CG2-CE 4Å; T204-M207 HydrophobicContact CG2-SD 4.42Å; T204-M207 PolarHBondContact O-N 2.56Å; S205-M207 VanDerWaalsContact C-N 3.27Å; M207-F244 HydrophobicContact CE-CE1 4.17Å; M207-F244 HydrophobicContact SD-CE1 4.13Å; M207-F244 HydrophobicContact SD-CZ 4.2Å; M207-V256 HydrophobicContact CB-CG1 3.91Å; M207-V256 HydrophobicContact CG-CG1 4.07Å; M207-V256 HydrophobicContact SD-CG1 3.97Å; M207-Y257 CarbonylContact C-O 3.53Å; M207-Y257 VanDerWaalsContact CA-O 3.32Å; M207-Y257 WeakPolarHBondContact CA-O 3.19Å; M207-R259 VanDerWaalsContact O-CZ 3.32Å; M207-R259 PolarHBondContact O-NE 2.88Å; M207-R259 PolarHBondContact O-NH2 2.68Å
208I97.6Very high87.4Confident0 Ų043.1 Ų43.10%026%0.264CS..EExtended strand (participates in β ladder)trans-128.3138.7168.8-173.9172.1000108F157 V190 M228 Y257 R259F157-I208 HydrophobicContact CB-CD1 3.86Å; F157-I208 HydrophobicContact CD2-CD1 4.3Å; F157-I208 HydrophobicContact CG-CD1 4.25Å; V190-I208 HydrophobicContact CG1-CD1 4.11Å; V190-I208 HydrophobicContact CG1-CG1 4.19Å; V190-I208 HydrophobicContact CG2-CD1 4.32Å; I208-M228 HydrophobicContact CD1-CE 3.94Å; I208-M228 HydrophobicContact CG1-CE 4.25Å; I208-M228 HydrophobicContact CG2-CE 3.83Å; I208-Y257 PolarHBondContact N-O 3.1Å; I208-Y257 WeakPolarHBondContact O-CB 3.39Å; I208-Y257 WeakPolarHBondContact O-CD2 3.11Å; I208-Y257 PolarHBondContact O-N 2.69Å; I208-R259 HydrophobicContact CB-CB 4.17Å; I208-R259 HydrophobicContact CB-CG 4.31Å; I208-R259 HydrophobicContact CG2-CB 4.16Å
209C96.4Very high86.1Confident0 Ų038.1 Ų38.10%023%0.234CC..EExtended strand (participates in β ladder)trans-110149.6179.7-55.20000110.8V191 C196 P254 G255V191-C209 HydrophobicContact CB-CB 4.11Å; V191-C209 PolarHBondContact N-O 3.44Å; C196-C209 HydrophobicContact CB-CB 3.56Å; C196-C209 WeakPolarHBondContact CB-SG 2.86Å; C196-C209 WeakPolarHBondContact SG-CB 3.29Å; C196-C209 CovalentContact SG-SG 2.02Å; C196-C209 PolarHBondContact SG-SG 3.27Å; C209-P254 HydrophobicContact CB-CB 4.33Å; C209-P254 HydrophobicContact CB-CG 4.21Å; C209-G255 VanDerWaalsContact CA-O 3.28Å; C209-G255 WeakPolarHBondContact CA-O 3.33Å
210A94.3Very high85.4Confident0 Ų037.1 Ų37.10%023%0.227CC..EExtended strand (participates in β ladder)trans-152.8147.2174.800000110.4I188 P189 M228 G255 Y257I188-A210 HydrophobicContact CD1-CB 3.53Å; I188-A210 HydrophobicContact CG1-CB 3.97Å; P189-A210 CarbonylContact O-C 3.43Å; P189-A210 WeakPolarHBondContact O-CA 2.99Å; P189-A210 WeakPolarHBondContact O-CB 3.39Å; A210-M228 HydrophobicContact CB-CE 4.43Å; A210-M228 HydrophobicContact CB-SD 3.52Å; A210-M228 VanDerWaalsContact CB-SD 3.52Å; A210-G255 PolarHBondContact N-O 2.86Å; A210-G255 VanDerWaalsContact N-O 3.07Å; A210-G255 PolarHBondContact O-N 3.23Å; A210-Y257 HydrophobicContact CB-CD2 4.46Å; A210-Y257 HydrophobicContact CB-CE2 3.94Å
211G90.6Very high84.1Confident5 Ų539.7 Ų39.75%0.05224%0.24CC..  trans155.8163.2-178.100000112.6P189P189-G211 WeakPolarHBondContact CG-O 3.39Å; P189-G211 PolarHBondContact O-N 2.87Å
212L84.6Confident83.3Confident36 Ų3634.2 Ų34.219%0.18820%0.204CC..  trans-82.8144.1173.9-64.1176.9000110.3P189 E214 G215 R217P189-L212 HydrophobicContact CG-CD2 4.05Å; L212-E214 VanDerWaalsContact C-N 3.32Å; L212-E214 HydrophobicContact CB-CG 4.28Å; L212-E214 PolarHBondContact O-N 3.42Å; L212-G215 WeakPolarHBondContact CB-O 3.28Å; L212-G215 PolarHBondContact O-N 3.02Å; L212-G215 VanDerWaalsContact O-N 3.08Å; L212-R217 HydrophobicContact CD1-CB 4.03Å; L212-R217 HydrophobicContact CD1-CG 3.87Å; L212-R217 HydrophobicContact CG-CB 4.47Å
213T78.7Confident83Confident93 Ų9332.5 Ų32.557%0.57119%0.191SC*.THydrogen-bonded Turntrans-66.7-40.5-179.5-59.80000110.6G215 G252T213-G215 PolarHBondContact O-N 2.75Å; T213-G252 PolarHBondContact O-N 2.85Å
214E80.1Confident82.8Confident138 Ų13832.4 Ų32.465%0.64519%0.192SC*.THydrogen-bonded Turntrans-71-3.2173.963.5-90.1-155.800114.1L212 P251L212-E214 VanDerWaalsContact C-N 3.32Å; L212-E214 HydrophobicContact CB-CG 4.28Å; L212-E214 PolarHBondContact O-N 3.42Å; E214-P251 WeakPolarHBondContact O-CG 3.34Å
215G77.6Confident82.9Confident5 Ų530.5 Ų30.55%0.05218%0.181CC..  trans71.9-152.9-173.800000112.8L212 T213 R217 A249L212-G215 WeakPolarHBondContact CB-O 3.28Å; L212-G215 PolarHBondContact O-N 3.02Å; L212-G215 VanDerWaalsContact O-N 3.08Å; T213-G215 PolarHBondContact O-N 2.75Å; G215-R217 VanDerWaalsContact C-N 3.26Å; G215-R217 PolarHBondContact O-N 3.13Å; G215-A249 CarbonylContact C-O 3.56Å; G215-A249 WeakPolarHBondContact CA-O 3.34Å
216G68.9Low82.9Confident39 Ų3927.2 Ų27.240%0.40216%0.158SC..SBendtrans77.1-8.1176.300000116.7A249G216-A249 PolarHBondContact N-O 2.8Å
217R69.4Low82.9Confident39 Ų3925.7 Ų25.715%0.14715%0.149CC..  trans-140.1123.6166.3-64.3-175.1-174.5169.7-0.9111.2I42 E187 I188 L212 G215I42-R217 PolarHBondContact O-NH2 3.13Å; E187-R217 WeakPolarHBondContact O-CD 3.39Å; E187-R217 PolarHBondContact O-NH1 2.98Å; I188-R217 HydrophobicContact CG2-CB 3.85Å; L212-R217 HydrophobicContact CD1-CB 4.03Å; L212-R217 HydrophobicContact CD1-CG 3.87Å; L212-R217 HydrophobicContact CG-CB 4.47Å; G215-R217 VanDerWaalsContact C-N 3.26Å; G215-R217 PolarHBondContact O-N 3.13Å
218D64Low82.9Confident23 Ų2325.5 Ų25.512%0.12315%0.149CC..  trans-165165.2177.2-163.17.2000110.4I165 A249 G255I165-D218 VanDerWaalsContact CD1-C 3.43Å; D218-A249 VanDerWaalsContact CB-CA 3.45Å; D218-A249 HydrophobicContact CB-CB 3.65Å; D218-A249 PolarHBondContact OD2-N 3.45Å; D218-G255 WeakPolarHBondContact OD1-CA 3.36Å
219S66.4Low82.9Confident10 Ų1025.5 Ų25.57%0.0715%0.149CC..  trans-70.7151.2160.955.70000110.3V242 Y257S219-V242 WeakPolarHBondContact OG-CG1 3.4Å; S219-Y257 PolarHBondContact OG-OH 2.76Å
220C75.3Confident82.8Confident11 Ų1125.5 Ų25.57%0.07415%0.149CC..  trans-137.5-173.9-178.4-162.60000111.7N170 G222 D223 C248N170-C220 HydrophobicContact CB-CB 4.38Å; N170-C220 WeakPolarHBondContact O-CB 3.05Å; N170-C220 PolarHBondContact O-SG 3.1Å; N170-C220 VanDerWaalsContact O-SG 3.39Å; C220-G222 PolarHBondContact O-N 2.56Å; C220-D223 PolarHBondContact N-OD2 3.43Å; C220-D223 WeakPolarHBondContact O-CB 3.21Å; C220-D223 PolarHBondContact O-N 3.32Å; C220-C248 WeakPolarHBondContact CA-SG 3.13Å; C220-C248 HydrophobicContact CB-CB 3.68Å; C220-C248 WeakPolarHBondContact CB-SG 3.06Å; C220-C248 WeakPolarHBondContact SG-CB 3.41Å; C220-C248 CovalentContact SG-SG 2.01Å; C220-C248 PolarHBondContact SG-SG 3.46Å
221Q63.4Low82.7Confident80 Ų8027.2 Ų27.237%0.37416%0.161SC..THydrogen-bonded Turntrans-57.2125.2-179.1-63.98039.700110.6G169 N170 C248G169-Q221 CarbonylContact C-O 3.57Å; G169-Q221 WeakPolarHBondContact CA-O 3.37Å; N170-Q221 PolarHBondContact N-O 2.95Å; Q221-C248 PolarHBondContact NE2-SG 3.32Å; Q221-C248 VanDerWaalsContact NE2-SG 3.42Å
222G67.4Low82.6Confident17 Ų1730.1 Ų30.118%0.17518%0.175CC..THydrogen-bonded Turntrans104.2-20.7-174.700000113.9H64 C220 S224H64-G222 PolarHBondContact NE2-O 2.71Å; C220-G222 PolarHBondContact O-N 2.56Å; G222-S224 VanDerWaalsContact C-N 3.33Å
223D84.2Confident82.7Confident16 Ų1631.2 Ų31.29%0.08620%0.195CC..  trans-82.9-12175.7-61.6-43.8000113.3G167 W168 G169 C220 G225 G226 V242G167-D223 WeakPolarHBondContact CA-OD1 3.35Å; W168-D223 PolarHBondContact N-OD1 2.88Å; G169-D223 VanDerWaalsContact CA-OD1 3.3Å; G169-D223 WeakPolarHBondContact CA-OD1 3.49Å; G169-D223 PolarHBondContact N-OD1 3.25Å; C220-D223 PolarHBondContact N-OD2 3.43Å; C220-D223 WeakPolarHBondContact O-CB 3.21Å; C220-D223 PolarHBondContact O-N 3.32Å; D223-G225 PolarHBondContact O-N 2.05Å; D223-G226 VanDerWaalsContact O-CA 3.32Å; D223-G226 WeakPolarHBondContact O-CA 3.47Å; D223-G226 PolarHBondContact O-N 2.94Å; D223-V242 HydrophobicContact CB-CG1 4.27Å; D223-V242 HydrophobicContact CB-CG2 4.5Å; D223-V242 WeakPolarHBondContact O-CB 3.14Å
224S91.7Very high83Confident23 Ų2332.5 Ų32.516%0.16120%0.203CC..THydrogen-bonded Turntrans-41.9130.6176.3-76.20000112.9C66 G67 H81 G222 G226C66-S224 CarbonylContact C-O 3.52Å; C66-S224 WeakPolarHBondContact CA-O 3.46Å; C66-S224 VanDerWaalsContact CB-O 3.25Å; C66-S224 WeakPolarHBondContact CB-O 2.98Å; G67-S224 PolarHBondContact N-O 2.68Å; H81-S224 PolarHBondContact CE1-OG 3.26Å; H81-S224 WeakPolarHBondContact NE2-CB 3.44Å; H81-S224 PolarHBondContact NE2-OG 2.86Å; G222-S224 VanDerWaalsContact C-N 3.33Å; S224-G226 PolarHBondContact O-N 3.06Å
225G97Very high83.6Confident0 Ų029.1 Ų29.10%018%0.184CC..THydrogen-bonded Turntrans78.3-11-175.700000115.1G67 G68 D223 V242G67-G225 CarbonylContact O-C 3.58Å; G68-G225 WeakPolarHBondContact CA-O 3.47Å; D223-G225 PolarHBondContact O-N 2.05Å; G225-V242 PolarHBondContact N-O 3.18Å
226G97.6Very high84.5Confident0 Ų030 Ų300%019%0.186CC..  trans-63.8159173.600000112.9D223 S224 V242D223-G226 VanDerWaalsContact O-CA 3.32Å; D223-G226 WeakPolarHBondContact O-CA 3.47Å; D223-G226 PolarHBondContact O-N 2.94Å; S224-G226 PolarHBondContact O-N 3.06Å; G226-V242 WeakPolarHBondContact O-CG2 3.36Å; G226-V242 PolarHBondContact O-N 3.12Å
227P98.1Very high85.9Confident0 Ų028.1 Ų28.10%017%0.167CC..EExtended strand (participates in β ladder)trans-83.2142.7-175.433.2-33.3000112.4V229 Q238P227-V229 HydrophobicContact CB-CG1 4.09Å; P227-Q238 HydrophobicContact CB-CG 4.05Å
228M97.7Very high87.3Confident0 Ų026.2 Ų26.20%016%0.16CC..EExtended strand (participates in β ladder)trans-105.5122.4155-176.6179.277.800108.4W164 I165 I188 I208 A210 Q238 S239 G240 Y257W164-M228 CarbonylContact O-C 3.55Å; W164-M228 WeakPolarHBondContact O-CA 3.25Å; I165-M228 HydrophobicContact CG2-CB 3.89Å; I165-M228 HydrophobicContact CG2-CG 3.81Å; I165-M228 HydrophobicContact CG2-SD 4.49Å; I188-M228 HydrophobicContact CD1-SD 4.45Å; I208-M228 HydrophobicContact CD1-CE 3.94Å; I208-M228 HydrophobicContact CG1-CE 4.25Å; I208-M228 HydrophobicContact CG2-CE 3.83Å; A210-M228 HydrophobicContact CB-CE 4.43Å; A210-M228 HydrophobicContact CB-SD 3.52Å; A210-M228 VanDerWaalsContact CB-SD 3.52Å; M228-Q238 CarbonylContact O-C 3.59Å; M228-Q238 WeakPolarHBondContact O-CA 3.45Å; M228-Q238 WeakPolarHBondContact O-CG 3.39Å; M228-S239 VanDerWaalsContact CE-OG 3.26Å; M228-S239 WeakPolarHBondContact CE-OG 3.21Å; M228-S239 PolarHBondContact O-N 2.82Å; M228-S239 PolarHBondContact O-OG 2.96Å; M228-G240 PolarHBondContact N-O 2.96Å; M228-G240 PolarHBondContact O-N 3.16Å; M228-G240 VanDerWaalsContact O-N 3.15Å; M228-Y257 HydrophobicContact CB-CD1 3.79Å; M228-Y257 HydrophobicContact CB-CE1 3.92Å; M228-Y257 HydrophobicContact CE-CG 4.43Å; M228-Y257 HydrophobicContact CG-CE1 4.41Å; M228-Y257 HydrophobicContact SD-CD1 4.11Å; M228-Y257 HydrophobicContact SD-CD2 4.06Å; M228-Y257 HydrophobicContact SD-CE1 4.08Å; M228-Y257 HydrophobicContact SD-CE2 4.07Å; M228-Y257 HydrophobicContact SD-CG 4.13Å
229V97.4Very high88.9Confident0 Ų025.1 Ų25.10%015%0.154CC..EExtended strand (participates in β ladder)trans-122.7142.1-174.6-61.90000112.2W53 W55 V148 S163 W164 P227 W236 V237 Q238W53-V229 HydrophobicContact CE3-CG2 4.2Å; W53-V229 HydrophobicContact CH2-CG2 4.33Å; W53-V229 HydrophobicContact CZ3-CG2 3.58Å; W55-V229 HydrophobicContact CZ2-CG1 4.48Å; W55-V229 HydrophobicContact CZ2-CG2 4.37Å; V148-V229 HydrophobicContact CG2-CG1 3.81Å; S163-V229 CarbonylContact C-O 3.57Å; S163-V229 VanDerWaalsContact CA-O 3.29Å; S163-V229 WeakPolarHBondContact CA-O 3.43Å; W164-V229 HydrophobicContact CB-CG2 4.03Å; W164-V229 PolarHBondContact N-O 3.22Å; W164-V229 PolarHBondContact O-N 3.09Å; P227-V229 HydrophobicContact CB-CG1 4.09Å; V229-W236 HydrophobicContact CB-CE3 4.07Å; V229-W236 HydrophobicContact CG2-CD2 4.41Å; V229-W236 HydrophobicContact CG2-CE3 3.61Å; V229-W236 HydrophobicContact CG2-CZ3 4.05Å; V229-V237 CarbonylContact C-O 3.47Å; V229-V237 WeakPolarHBondContact CA-O 3.3Å; V229-Q238 HydrophobicContact CG1-CB 4.13Å; V229-Q238 HydrophobicContact CG1-CG 4.28Å
230S95.1Very high90.4Very high0 Ų024.7 Ų24.70%015%0.15CC..EExtended strand (participates in β ladder)trans-119.2140.3173.3-43.70000109.4S163 V237 S239S163-S230 PolarHBondContact OG-OG 2.86Å; S230-V237 PolarHBondContact N-O 3.34Å; S230-V237 PolarHBondContact O-N 3.45Å; S230-S239 PolarHBondContact OG-OG 3.06Å
231S92.1Very high91.5Very high36 Ų3624.1 Ų24.125%0.25215%0.147SC..EExtended strand (participates in β ladder)trans-89.9131.1176.7-175.60000110.5G233S231-G233 VanDerWaalsContact C-N 3.26Å; S231-G233 PolarHBondContact OG-N 3.18Å
232N88Confident93.2Very high67 Ų6720.6 Ų20.636%0.35813%0.131SC..  trans-91.113.6170.171.87.7000112.6T234 R235 F281N232-T234 VanDerWaalsContact C-N 3.32Å; N232-T234 PolarHBondContact O-N 2.83Å; N232-T234 PolarHBondContact OD1-N 2.02Å; N232-R235 PolarHBondContact N-O 3.37Å; N232-R235 PolarHBondContact OD1-N 2.85Å; N232-R235 PolarHBondContact OD1-O 3.11Å; N232-F281 HydrophobicContact CB-CD2 3.92Å; N232-F281 HydrophobicContact CB-CE2 3.8Å
233G85.7Confident94.4Very high59 Ų5920.2 Ų20.261%0.60813%0.125SC*.SBendtrans92.2-25.8-174.900000114S231S231-G233 VanDerWaalsContact C-N 3.26Å; S231-G233 PolarHBondContact OG-N 3.18Å
234T86.9Confident94.6Very high120 Ų12021.7 Ų21.774%0.73613%0.131SC*.SBendtrans-116.5-38.2-179.8-47.30000112.8N232N232-T234 VanDerWaalsContact C-N 3.32Å; N232-T234 PolarHBondContact O-N 2.83Å; N232-T234 PolarHBondContact OD1-N 2.02Å
235R92.5Very high94.1Very high67 Ų6722.3 Ų22.325%0.25314%0.141SC..SBendtrans-134150.8-178-62.2-173.3-178-101.32.8110.6A27 C29 G30 C149 N232A27-R235 PolarHBondContact O-NH1 2.89Å; A27-R235 PolarHBondContact O-NH2 3.04Å; C29-R235 PolarHBondContact O-NH1 3.39Å; G30-R235 WeakPolarHBondContact O-CA 3.44Å; C149-R235 VanDerWaalsContact SG-CD 3.57Å; N232-R235 PolarHBondContact N-O 3.37Å; N232-R235 PolarHBondContact OD1-N 2.85Å; N232-R235 PolarHBondContact OD1-O 3.11Å
236W96.4Very high93.1Very high22 Ų2226.9 Ų26.98%0.08316%0.161CC..EExtended strand (participates in β ladder)trans-83.2127.4165.8-67.597.2000110G30 S36 W53 W55 C149 W164 V229G30-W236 VanDerWaalsContact CA-O 3.26Å; G30-W236 WeakPolarHBondContact CA-O 3.36Å; G30-W236 PolarHBondContact O-N 2.89Å; S36-W236 WeakPolarHBondContact OG-CZ2 3.23Å; W53-W236 HydrophobicContact CH2-CE3 4.42Å; W53-W236 AromaticContact CH2-CH2 3.76Å; W53-W236 HydrophobicContact CH2-CH2 3.76Å; W53-W236 HydrophobicContact CH2-CZ2 4Å; W53-W236 AromaticContact CH2-CZ3 3.98Å; W53-W236 HydrophobicContact CH2-CZ3 3.98Å; W53-W236 HydrophobicContact CZ3-CD2 4.02Å; W53-W236 HydrophobicContact CZ3-CE3 4Å; W53-W236 HydrophobicContact CZ3-CH2 4.11Å; W53-W236 HydrophobicContact CZ3-CZ2 4.15Å; W53-W236 HydrophobicContact CZ3-CZ3 4.03Å; W55-W236 HydrophobicContact CH2-CB 3.38Å; W55-W236 AromaticContact CH2-CD1 3.4Å; W55-W236 VanDerWaalsContact CH2-CD1 3.4Å; W55-W236 HydrophobicContact CH2-CD2 4.35Å; W55-W236 AromaticContact CH2-CG 3.42Å; W55-W236 HydrophobicContact CH2-CG 3.42Å; W55-W236 VanDerWaalsContact CH2-CG 3.42Å; W55-W236 HydrophobicContact CZ2-CB 3.6Å; W55-W236 HydrophobicContact CZ2-CD2 4.37Å; W55-W236 AromaticContact CZ2-CG 3.76Å; W55-W236 HydrophobicContact CZ2-CG 3.76Å; W55-W236 HydrophobicContact CZ3-CB 4.22Å; W55-W236 HydrophobicContact CZ3-CG 4.49Å; C149-W236 WeakPolarHBondContact CB-O 3.48Å; C149-W236 PolarHBondContact N-O 3.2Å; W164-W236 HydrophobicContact CB-CZ3 4.32Å; W164-W236 AromaticContact CD1-CH2 3.55Å; W164-W236 AromaticContact CD1-CZ3 3.54Å; W164-W236 HydrophobicContact CG-CH2 4.11Å; W164-W236 HydrophobicContact CG-CZ3 4.07Å; W164-W236 AromaticContact NE1-CH2 3.86Å; V229-W236 HydrophobicContact CB-CE3 4.07Å; V229-W236 HydrophobicContact CG2-CD2 4.41Å; V229-W236 HydrophobicContact CG2-CE3 3.61Å; V229-W236 HydrophobicContact CG2-CZ3 4.05Å
237V97.9Very high92Very high0 Ų030.7 Ų30.70%018%0.179CC..EExtended strand (participates in β ladder)trans-120.7121.6-177.4-174.70000108.2C149 A151 V229 S230 S239 V279 F281C149-V237 HydrophobicContact CB-CG2 4.36Å; C149-V237 CarbonylContact O-C 3.55Å; C149-V237 WeakPolarHBondContact O-CA 3.28Å; A151-V237 HydrophobicContact CB-CG1 3.98Å; V229-V237 CarbonylContact C-O 3.47Å; V229-V237 WeakPolarHBondContact CA-O 3.3Å; S230-V237 PolarHBondContact N-O 3.34Å; S230-V237 PolarHBondContact O-N 3.45Å; V237-S239 PolarHBondContact O-N 2.75Å; V237-V279 HydrophobicContact CG2-CB 4.05Å; V237-V279 HydrophobicContact CG2-CG1 4.02Å; V237-F281 HydrophobicContact CB-CD2 4.18Å; V237-F281 HydrophobicContact CG2-CD2 4.21Å
238Q98.4Very high90.8Very high0 Ų031.7 Ų31.70%019%0.186CC..EExtended strand (participates in β ladder)trans-72.4115.3177.2-165.7178.6-1000110.1S69 V148 C149 L150 A151 P227 M228 V229 G240 V260S69-Q238 PolarHBondContact OG-NE2 3.07Å; S69-Q238 VanDerWaalsContact OG-NE2 3.11Å; S69-Q238 PolarHBondContact OG-OE1 3.48Å; V148-Q238 HydrophobicContact CG1-CB 3.99Å; V148-Q238 HydrophobicContact CG2-CB 4.08Å; C149-Q238 PolarHBondContact O-N 2.81Å; L150-Q238 HydrophobicContact CD2-CB 4.23Å; A151-Q238 VanDerWaalsContact CB-O 3.26Å; A151-Q238 WeakPolarHBondContact CB-O 3.5Å; A151-Q238 PolarHBondContact N-O 3.1Å; A151-Q238 VanDerWaalsContact N-O 3.1Å; P227-Q238 HydrophobicContact CB-CG 4.05Å; M228-Q238 CarbonylContact O-C 3.59Å; M228-Q238 WeakPolarHBondContact O-CA 3.45Å; M228-Q238 WeakPolarHBondContact O-CG 3.39Å; V229-Q238 HydrophobicContact CG1-CB 4.13Å; V229-Q238 HydrophobicContact CG1-CG 4.28Å; Q238-G240 WeakPolarHBondContact CG-O 3.3Å; Q238-G240 PolarHBondContact NE2-O 2.97Å; Q238-V260 HydrophobicContact CG-CG2 4.08Å; Q238-V260 WeakPolarHBondContact O-CB 3.03Å
239S98Very high89.6Confident0 Ų032.9 Ų32.90%020%0.195CC..EExtended strand (participates in β ladder)trans-98.8-28.9-177.555.90000111.9M228 S230 V237 V260M228-S239 VanDerWaalsContact CE-OG 3.26Å; M228-S239 WeakPolarHBondContact CE-OG 3.21Å; M228-S239 PolarHBondContact O-N 2.82Å; M228-S239 PolarHBondContact O-OG 2.96Å; S230-S239 PolarHBondContact OG-OG 3.06Å; V237-S239 PolarHBondContact O-N 2.75Å; S239-V260 PolarHBondContact O-N 3.21Å; S239-V260 VanDerWaalsContact O-N 3.15Å
240G98.3Very high88.7Confident0 Ų036.2 Ų36.20%021%0.211CC..EExtended strand (participates in β ladder)trans-141.8163.9-178.600000114.5M228 Q238 A258M228-G240 PolarHBondContact N-O 2.96Å; M228-G240 PolarHBondContact O-N 3.16Å; M228-G240 VanDerWaalsContact O-N 3.15Å; Q238-G240 WeakPolarHBondContact CG-O 3.3Å; Q238-G240 PolarHBondContact NE2-O 2.97Å; G240-A258 CarbonylContact C-O 3.5Å; G240-A258 VanDerWaalsContact CA-O 3.25Å; G240-A258 WeakPolarHBondContact CA-O 3.24Å
241I98.7Very high88.2Confident0 Ų039.6 Ų39.60%023%0.233CC..EExtended strand (participates in β ladder)trans-123.2125.8169.5-53.8168.8000106.8L77 A79 V130 S243 Y257 A258 V260L77-I241 HydrophobicContact CD1-CD1 4Å; L77-I241 HydrophobicContact CD2-CD1 3.85Å; L77-I241 HydrophobicContact CD2-CG1 4.19Å; L77-I241 HydrophobicContact CG-CD1 3.73Å; L77-I241 HydrophobicContact CG-CG1 4.35Å; A79-I241 HydrophobicContact CB-CG2 4.09Å; V130-I241 HydrophobicContact CB-CD1 4.05Å; V130-I241 HydrophobicContact CG2-CD1 3.53Å; I241-S243 PolarHBondContact O-N 2.92Å; I241-Y257 CarbonylContact O-C 3.56Å; I241-Y257 WeakPolarHBondContact O-CA 3.3Å; I241-Y257 VanDerWaalsContact O-CB 3.29Å; I241-Y257 WeakPolarHBondContact O-CB 3.3Å; I241-A258 HydrophobicContact CB-CB 4.19Å; I241-A258 HydrophobicContact CD1-CB 4.44Å; I241-A258 PolarHBondContact N-O 3.45Å; I241-A258 PolarHBondContact O-N 3.21Å; I241-V260 HydrophobicContact CD1-CG2 4.33Å; I241-V260 HydrophobicContact CG1-CG2 3.9Å
242V97.1Very high87.8Confident5 Ų539.4 Ų39.43%0.0324%0.237CC..EExtended strand (participates in β ladder)trans-56.2122.8179.9177.40000109.7S219 D223 G225 G226 Y257S219-V242 WeakPolarHBondContact OG-CG1 3.4Å; D223-V242 HydrophobicContact CB-CG1 4.27Å; D223-V242 HydrophobicContact CB-CG2 4.5Å; D223-V242 WeakPolarHBondContact O-CB 3.14Å; G225-V242 PolarHBondContact N-O 3.18Å; G226-V242 WeakPolarHBondContact O-CG2 3.36Å; G226-V242 PolarHBondContact O-N 3.12Å; V242-Y257 HydrophobicContact CB-CD1 4.37Å; V242-Y257 HydrophobicContact CB-CE1 4.36Å; V242-Y257 HydrophobicContact CG2-CD1 3.99Å; V242-Y257 HydrophobicContact CG2-CE1 3.64Å
243S94.1Very high87.8Confident9 Ų940.3 Ų40.36%0.06324%0.236CC..EExtended strand (participates in β ladder)trans-120.2-67.5-175.5-178.40000111.9H81 D129 I241 V256H81-S243 PolarHBondContact CE1-O 3.48Å; H81-S243 VanDerWaalsContact CE1-O 3.25Å; D129-S243 VanDerWaalsContact OD2-CB 3.28Å; D129-S243 WeakPolarHBondContact OD2-CB 3.4Å; D129-S243 PolarHBondContact OD2-OG 3.47Å; I241-S243 PolarHBondContact O-N 2.92Å; S243-V256 WeakPolarHBondContact CB-O 3.5Å; S243-V256 PolarHBondContact N-O 3.09Å
244F88.8Confident88.1Confident48 Ų4838.1 Ų38.121%0.21121%0.211CC..EExtended strand (participates in β ladder)trans-153.6169.8-178.669.8-87.5000112.6K126 Y200 I203 M207 V256K126-F244 HydrophobicContact CB-CD1 3.57Å; K126-F244 HydrophobicContact CB-CE1 3.77Å; K126-F244 HydrophobicContact CG-CB 4.47Å; K126-F244 HydrophobicContact CG-CD1 3.8Å; K126-F244 HydrophobicContact CG-CE1 4.34Å; K126-F244 HydrophobicContact CG-CG 4.29Å; Y200-F244 HydrophobicContact CD1-CE2 4.32Å; Y200-F244 HydrophobicContact CE1-CE2 4.38Å; I203-F244 HydrophobicContact CD1-CZ 4.46Å; M207-F244 HydrophobicContact CE-CE1 4.17Å; M207-F244 HydrophobicContact SD-CE1 4.13Å; M207-F244 HydrophobicContact SD-CZ 4.2Å; F244-V256 HydrophobicContact CD1-CB 4.02Å; F244-V256 HydrophobicContact CD1-CG1 4.18Å; F244-V256 HydrophobicContact CD2-CB 4.13Å; F244-V256 HydrophobicContact CD2-CG2 4.16Å; F244-V256 HydrophobicContact CE1-CB 3.7Å; F244-V256 HydrophobicContact CE1-CG1 3.46Å; F244-V256 VanDerWaalsContact CE1-CG1 3.46Å; F244-V256 HydrophobicContact CE1-CG2 4.36Å; F244-V256 HydrophobicContact CE2-CB 3.82Å; F244-V256 HydrophobicContact CE2-CG1 4.23Å; F244-V256 HydrophobicContact CE2-CG2 3.62Å; F244-V256 HydrophobicContact CG-CB 4.23Å; F244-V256 HydrophobicContact CZ-CB 3.6Å; F244-V256 HydrophobicContact CZ-CG1 3.5Å; F244-V256 VanDerWaalsContact CZ-CG1 3.5Å; F244-V256 HydrophobicContact CZ-CG2 3.74Å; F244-V256 PolarHBondContact N-O 2.77Å; F244-V256 VanDerWaalsContact N-O 3.11Å; F244-V256 WeakPolarHBondContact O-CA 3.34Å; F244-V256 WeakPolarHBondContact O-CB 3.38Å; F244-V256 PolarHBondContact O-N 3.32Å
245G80.6Confident88.4Confident36 Ų3632.4 Ų32.437%0.37118%0.176SC..  trans-167.4161.7174.300000110.5
246F75Confident88.6Confident96 Ų9629.2 Ų29.242%0.42116%0.164SC..SBendtrans-85.3112170-177.4-93000109.7Y200 Q250 Y253Y200-F246 HydrophobicContact CE1-CB 4.1Å; Y200-F246 PolarHBondContact OH-N 2.98Å; Y200-F246 VanDerWaalsContact OH-N 3.1Å; F246-Q250 HydrophobicContact CD1-CB 4.4Å; F246-Q250 HydrophobicContact CD1-CG 4.06Å; F246-Q250 HydrophobicContact CE1-CG 4.31Å; F246-Y253 HydrophobicContact CB-CD1 3.58Å; F246-Y253 HydrophobicContact CB-CE1 4.17Å; F246-Y253 HydrophobicContact CB-CG 3.89Å; F246-Y253 HydrophobicContact CD1-CD1 4.26Å; F246-Y253 HydrophobicContact CD1-CD2 4.1Å; F246-Y253 HydrophobicContact CD1-CE1 4.44Å; F246-Y253 HydrophobicContact CD1-CE2 4.29Å; F246-Y253 HydrophobicContact CD1-CG 4.08Å; F246-Y253 HydrophobicContact CG-CD1 4.08Å; F246-Y253 HydrophobicContact CG-CE1 4.26Å; F246-Y253 HydrophobicContact CG-CG 4.3Å
247E75.1Confident88.7Confident80 Ų8028.2 Ų28.237%0.37416%0.16SC..THydrogen-bonded Turntrans52.3-157.8-169.5-61.3-176.2166.200111.2F173 Q250F173-E247 HydrophobicContact CD2-CB 4.36Å; F173-E247 HydrophobicContact CD2-CG 4.43Å; F173-E247 HydrophobicContact CE2-CG 4.48Å; E247-Q250 HydrophobicContact CB-CB 4.37Å
248C72.5Confident88.7Confident21 Ų2128.3 Ų28.314%0.14216%0.161CC..THydrogen-bonded Turntrans-119.7122.6176.1-56.20000108.9C220 Q221 Q250C220-C248 WeakPolarHBondContact CA-SG 3.13Å; C220-C248 HydrophobicContact CB-CB 3.68Å; C220-C248 WeakPolarHBondContact CB-SG 3.06Å; C220-C248 WeakPolarHBondContact SG-CB 3.41Å; C220-C248 CovalentContact SG-SG 2.01Å; C220-C248 PolarHBondContact SG-SG 3.46Å; Q221-C248 PolarHBondContact NE2-SG 3.32Å; Q221-C248 VanDerWaalsContact NE2-SG 3.42Å; C248-Q250 PolarHBondContact O-N 2.94Å
249A72.5Confident88.7Confident24 Ų2429.6 Ų29.620%0.19817%0.165CC..THydrogen-bonded Turntrans60.432.117500000114.1G215 G216 D218G215-A249 CarbonylContact C-O 3.56Å; G215-A249 WeakPolarHBondContact CA-O 3.34Å; G216-A249 PolarHBondContact N-O 2.8Å; D218-A249 VanDerWaalsContact CB-CA 3.45Å; D218-A249 HydrophobicContact CB-CB 3.65Å; D218-A249 PolarHBondContact OD2-N 3.45Å
250Q79.2Confident88.7Confident71 Ų7129.6 Ų29.633%0.33217%0.165SC..  trans-71.9131.6178.6-179.167.4-7.800110.6F246 E247 C248 G252 Y253F246-Q250 HydrophobicContact CD1-CB 4.4Å; F246-Q250 HydrophobicContact CD1-CG 4.06Å; F246-Q250 HydrophobicContact CE1-CG 4.31Å; E247-Q250 HydrophobicContact CB-CB 4.37Å; C248-Q250 PolarHBondContact O-N 2.94Å; Q250-G252 PolarHBondContact O-N 3.01Å; Q250-Y253 HydrophobicContact CB-CD2 4.46Å; Q250-Y253 HydrophobicContact CG-CD2 3.81Å; Q250-Y253 PolarHBondContact O-N 3.45Å; Q250-Y253 VanDerWaalsContact O-N 3.08Å
251P83.4Confident88.7Confident70 Ų7030.1 Ų30.146%0.45517%0.169SC..THydrogen-bonded Turntrans-55133.3176.8-23.632000111.9E214 Y253E214-P251 WeakPolarHBondContact O-CG 3.34Å; P251-Y253 VanDerWaalsContact C-N 3.25Å; P251-Y253 PolarHBondContact O-N 2.75Å
252G85.1Confident88.7Confident33 Ų3337 Ų3734%0.3420%0.195SC..THydrogen-bonded Turntrans78.2-5.2-178.800000115.8S199 T213 Q250 P254S199-G252 WeakPolarHBondContact CB-O 3.25Å; S199-G252 PolarHBondContact OG-O 2.89Å; T213-G252 PolarHBondContact O-N 2.85Å; Q250-G252 PolarHBondContact O-N 3.01Å; G252-P254 WeakPolarHBondContact O-CD 3.35Å
253Y88.4Confident88.7Confident86 Ų8637 Ų3734%0.33720%0.195SC..  trans-116.892.3177.7-71.7-90.2000110S199 Y200 F246 Q250 P251S199-Y253 WeakPolarHBondContact O-CE1 3.08Å; Y200-Y253 AromaticContact CE1-CD1 3.98Å; Y200-Y253 HydrophobicContact CE1-CD1 3.98Å; Y200-Y253 HydrophobicContact CE2-CD1 4.43Å; Y200-Y253 AromaticContact CZ-CD1 3.9Å; F246-Y253 HydrophobicContact CB-CD1 3.58Å; F246-Y253 HydrophobicContact CB-CE1 4.17Å; F246-Y253 HydrophobicContact CB-CG 3.89Å; F246-Y253 HydrophobicContact CD1-CD1 4.26Å; F246-Y253 HydrophobicContact CD1-CD2 4.1Å; F246-Y253 HydrophobicContact CD1-CE1 4.44Å; F246-Y253 HydrophobicContact CD1-CE2 4.29Å; F246-Y253 HydrophobicContact CD1-CG 4.08Å; F246-Y253 HydrophobicContact CG-CD1 4.08Å; F246-Y253 HydrophobicContact CG-CE1 4.26Å; F246-Y253 HydrophobicContact CG-CG 4.3Å; Q250-Y253 HydrophobicContact CB-CD2 4.46Å; Q250-Y253 HydrophobicContact CG-CD2 3.81Å; Q250-Y253 PolarHBondContact O-N 3.45Å; Q250-Y253 VanDerWaalsContact O-N 3.08Å; P251-Y253 VanDerWaalsContact C-N 3.25Å; P251-Y253 PolarHBondContact O-N 2.75Å
254P92.1Very high88.9Confident12 Ų1238.8 Ų38.88%0.07820%0.202CC..  trans-67154.7175.229.7-35000110.8V191 C196 Y200 C209 G252V191-P254 HydrophobicContact CB-CB 4.46Å; V191-P254 HydrophobicContact CG1-CG 4.38Å; V191-P254 HydrophobicContact CG2-CB 4.08Å; C196-P254 HydrophobicContact CB-CG 4.46Å; Y200-P254 HydrophobicContact CE2-CG 4.25Å; Y200-P254 VanDerWaalsContact CE2-O 3.24Å; Y200-P254 WeakPolarHBondContact CE2-O 3.35Å; Y200-P254 PolarHBondContact OH-O 3.2Å; C209-P254 HydrophobicContact CB-CB 4.33Å; C209-P254 HydrophobicContact CB-CG 4.21Å; G252-P254 WeakPolarHBondContact O-CD 3.35Å
255G93.1Very high89.2Confident0 Ų041.7 Ų41.70%022%0.22CC..EExtended strand (participates in β ladder)trans-65.8146.916900000111C209 A210 D218 Y257C209-G255 VanDerWaalsContact CA-O 3.28Å; C209-G255 WeakPolarHBondContact CA-O 3.33Å; A210-G255 PolarHBondContact N-O 2.86Å; A210-G255 VanDerWaalsContact N-O 3.07Å; A210-G255 PolarHBondContact O-N 3.23Å; D218-G255 WeakPolarHBondContact OD1-CA 3.36Å; G255-Y257 VanDerWaalsContact C-CE2 3.45Å; G255-Y257 WeakPolarHBondContact O-CD2 3.49Å; G255-Y257 VanDerWaalsContact O-CE2 3.3Å; G255-Y257 WeakPolarHBondContact O-CE2 3.47Å
256V95.9Very high90Very high0 Ų041 Ų410%021%0.206CC..EExtended strand (participates in β ladder)trans-113.1131.8179.2-170.70000109.8Y200 I203 M207 S243 F244Y200-V256 HydrophobicContact CD2-CG2 4.07Å; Y200-V256 HydrophobicContact CE2-CG2 3.76Å; I203-V256 HydrophobicContact CD1-CG1 4.1Å; I203-V256 HydrophobicContact CD1-CG2 3.93Å; M207-V256 HydrophobicContact CB-CG1 3.91Å; M207-V256 HydrophobicContact CG-CG1 4.07Å; M207-V256 HydrophobicContact SD-CG1 3.97Å; S243-V256 WeakPolarHBondContact CB-O 3.5Å; S243-V256 PolarHBondContact N-O 3.09Å; F244-V256 HydrophobicContact CD1-CB 4.02Å; F244-V256 HydrophobicContact CD1-CG1 4.18Å; F244-V256 HydrophobicContact CD2-CB 4.13Å; F244-V256 HydrophobicContact CD2-CG2 4.16Å; F244-V256 HydrophobicContact CE1-CB 3.7Å; F244-V256 HydrophobicContact CE1-CG1 3.46Å; F244-V256 VanDerWaalsContact CE1-CG1 3.46Å; F244-V256 HydrophobicContact CE1-CG2 4.36Å; F244-V256 HydrophobicContact CE2-CB 3.82Å; F244-V256 HydrophobicContact CE2-CG1 4.23Å; F244-V256 HydrophobicContact CE2-CG2 3.62Å; F244-V256 HydrophobicContact CG-CB 4.23Å; F244-V256 HydrophobicContact CZ-CB 3.6Å; F244-V256 HydrophobicContact CZ-CG1 3.5Å; F244-V256 VanDerWaalsContact CZ-CG1 3.5Å; F244-V256 HydrophobicContact CZ-CG2 3.74Å; F244-V256 PolarHBondContact N-O 2.77Å; F244-V256 VanDerWaalsContact N-O 3.11Å; F244-V256 WeakPolarHBondContact O-CA 3.34Å; F244-V256 WeakPolarHBondContact O-CB 3.38Å; F244-V256 PolarHBondContact O-N 3.32Å
257Y97.9Very high91Very high1 Ų136.5 Ų36.50%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-127.3145.6-172.8-54.7-106.3000109.8I165 I188 M207 I208 A210 S219 M228 I241 V242 G255 R259I165-Y257 HydrophobicContact CG2-CE1 3.73Å; I188-Y257 HydrophobicContact CD1-CE2 4.47Å; I188-Y257 VanDerWaalsContact CD1-OH 3.3Å; I188-Y257 WeakPolarHBondContact CD1-OH 3Å; M207-Y257 CarbonylContact C-O 3.53Å; M207-Y257 VanDerWaalsContact CA-O 3.32Å; M207-Y257 WeakPolarHBondContact CA-O 3.19Å; I208-Y257 PolarHBondContact N-O 3.1Å; I208-Y257 WeakPolarHBondContact O-CB 3.39Å; I208-Y257 WeakPolarHBondContact O-CD2 3.11Å; I208-Y257 PolarHBondContact O-N 2.69Å; A210-Y257 HydrophobicContact CB-CD2 4.46Å; A210-Y257 HydrophobicContact CB-CE2 3.94Å; S219-Y257 PolarHBondContact OG-OH 2.76Å; M228-Y257 HydrophobicContact CB-CD1 3.79Å; M228-Y257 HydrophobicContact CB-CE1 3.92Å; M228-Y257 HydrophobicContact CE-CG 4.43Å; M228-Y257 HydrophobicContact CG-CE1 4.41Å; M228-Y257 HydrophobicContact SD-CD1 4.11Å; M228-Y257 HydrophobicContact SD-CD2 4.06Å; M228-Y257 HydrophobicContact SD-CE1 4.08Å; M228-Y257 HydrophobicContact SD-CE2 4.07Å; M228-Y257 HydrophobicContact SD-CG 4.13Å; I241-Y257 CarbonylContact O-C 3.56Å; I241-Y257 WeakPolarHBondContact O-CA 3.3Å; I241-Y257 VanDerWaalsContact O-CB 3.29Å; I241-Y257 WeakPolarHBondContact O-CB 3.3Å; V242-Y257 HydrophobicContact CB-CD1 4.37Å; V242-Y257 HydrophobicContact CB-CE1 4.36Å; V242-Y257 HydrophobicContact CG2-CD1 3.99Å; V242-Y257 HydrophobicContact CG2-CE1 3.64Å; G255-Y257 VanDerWaalsContact C-CE2 3.45Å; G255-Y257 WeakPolarHBondContact O-CD2 3.49Å; G255-Y257 VanDerWaalsContact O-CE2 3.3Å; G255-Y257 WeakPolarHBondContact O-CE2 3.47Å; Y257-R259 PolarHBondContact O-N 3.02Å
258A98.4Very high92Very high2 Ų234.9 Ų34.92%0.01718%0.184CC..EExtended strand (participates in β ladder)trans-69126.4168.800000109.4D129 G240 I241 V260 Y263D129-A258 WeakPolarHBondContact O-CB 3.46Å; G240-A258 CarbonylContact C-O 3.5Å; G240-A258 VanDerWaalsContact CA-O 3.25Å; G240-A258 WeakPolarHBondContact CA-O 3.24Å; I241-A258 HydrophobicContact CB-CB 4.19Å; I241-A258 HydrophobicContact CD1-CB 4.44Å; I241-A258 PolarHBondContact N-O 3.45Å; I241-A258 PolarHBondContact O-N 3.21Å; A258-V260 PolarHBondContact O-N 2.69Å; A258-Y263 HydrophobicContact CB-CE2 3.93Å
259R98.4Very high93Very high27 Ų2740.5 Ų40.510%0.10221%0.208CC..EExtended strand (participates in β ladder)trans-78.7101.3-174.1-176.6-176.7-65.7-88.6-0.4111.2N193 S205 N206 M207 I208 Y257 S261 R262 Y263N193-R259 PolarHBondContact OD1-NH2 2.88Å; S205-R259 PolarHBondContact O-NE 2.69Å; N206-R259 VanDerWaalsContact O-CB 3.3Å; N206-R259 WeakPolarHBondContact O-CB 3.33Å; N206-R259 PolarHBondContact O-N 2.78Å; M207-R259 VanDerWaalsContact O-CZ 3.32Å; M207-R259 PolarHBondContact O-NE 2.88Å; M207-R259 PolarHBondContact O-NH2 2.68Å; I208-R259 HydrophobicContact CB-CB 4.17Å; I208-R259 HydrophobicContact CB-CG 4.31Å; I208-R259 HydrophobicContact CG2-CB 4.16Å; Y257-R259 PolarHBondContact O-N 3.02Å; R259-S261 PolarHBondContact O-N 3.42Å; R259-S261 VanDerWaalsContact O-N 3.08Å; R259-R262 HydrophobicContact CB-CG 4.11Å; R259-R262 HydrophobicContact CG-CG 3.99Å; R259-R262 WeakPolarHBondContact O-CB 3.29Å; R259-R262 PolarHBondContact O-N 3.06Å; R259-Y263 WeakPolarHBondContact O-CD2 3.46Å; R259-Y263 VanDerWaalsContact O-CE2 3.25Å; R259-Y263 WeakPolarHBondContact O-CE2 3.49Å
260V98.6Very high94.1Very high0 Ų042 Ų420%021%0.211CC..G310 helixtrans-51.4-39.9-173.8173.50000113.5L77 L150 A151 Q238 S239 I241 A258 R262 Y263L77-V260 HydrophobicContact CD2-CG2 4.33Å; L150-V260 HydrophobicContact CB-CG1 4.12Å; L150-V260 HydrophobicContact CD2-CG1 3.92Å; A151-V260 HydrophobicContact CB-CB 4.4Å; A151-V260 HydrophobicContact CB-CG1 4.31Å; Q238-V260 HydrophobicContact CG-CG2 4.08Å; Q238-V260 WeakPolarHBondContact O-CB 3.03Å; S239-V260 PolarHBondContact O-N 3.21Å; S239-V260 VanDerWaalsContact O-N 3.15Å; I241-V260 HydrophobicContact CD1-CG2 4.33Å; I241-V260 HydrophobicContact CG1-CG2 3.9Å; A258-V260 PolarHBondContact O-N 2.69Å; V260-R262 PolarHBondContact O-N 2.67Å; V260-Y263 PolarHBondContact O-N 3.22Å
261S98Very high94.6Very high12 Ų1239.1 Ų39.18%0.08420%0.198CC..G310 helixtrans-62.8-15.5-179600000114.7A151 A152 A153 R259A151-S261 WeakPolarHBondContact O-CA 3Å; A152-S261 VanDerWaalsContact O-CB 3.26Å; A152-S261 WeakPolarHBondContact O-CB 3.41Å; A153-S261 WeakPolarHBondContact CA-O 3.02Å; R259-S261 PolarHBondContact O-N 3.42Å; R259-S261 VanDerWaalsContact O-N 3.08Å
262R98.1Very high94.6Very high144 Ų14438.7 Ų38.754%0.54321%0.206SC..G310 helixtrans-82.6-17175.5-64.7-72.4-173.2-160.3-2.8113.1S205 R259 V260S205-R262 PolarHBondContact O-NE 3.05Å; R259-R262 HydrophobicContact CB-CG 4.11Å; R259-R262 HydrophobicContact CG-CG 3.99Å; R259-R262 WeakPolarHBondContact O-CB 3.29Å; R259-R262 PolarHBondContact O-N 3.06Å; V260-R262 PolarHBondContact O-N 2.67Å
263Y98.1Very high94Very high4 Ų442.1 Ų42.12%0.01623%0.231CC..SBendtrans-108.17.7-173.4-51.5-72.3000113.5H118 N128 V130 N206 A258 R259 V260 N265 W266 I267H118-Y263 AromaticContact CD2-CD1 3.99Å; N128-Y263 WeakPolarHBondContact CA-OH 3.32Å; N128-Y263 HydrophobicContact CB-CE1 4.31Å; V130-Y263 HydrophobicContact CB-CD2 4.43Å; V130-Y263 HydrophobicContact CB-CE2 4.47Å; V130-Y263 HydrophobicContact CB-CG 4.5Å; V130-Y263 HydrophobicContact CG1-CD1 3.63Å; V130-Y263 HydrophobicContact CG1-CD2 4.24Å; V130-Y263 HydrophobicContact CG1-CE1 3.75Å; V130-Y263 HydrophobicContact CG1-CE2 4.35Å; V130-Y263 HydrophobicContact CG1-CG 3.87Å; N206-Y263 WeakPolarHBondContact CB-OH 3.48Å; N206-Y263 PolarHBondContact O-OH 2.84Å; A258-Y263 HydrophobicContact CB-CE2 3.93Å; R259-Y263 WeakPolarHBondContact O-CD2 3.46Å; R259-Y263 VanDerWaalsContact O-CE2 3.25Å; R259-Y263 WeakPolarHBondContact O-CE2 3.49Å; V260-Y263 PolarHBondContact O-N 3.22Å; Y263-N265 VanDerWaalsContact C-N 3.32Å; Y263-N265 PolarHBondContact O-N 3.18Å; Y263-W266 PolarHBondContact O-N 3.49Å; Y263-I267 WeakPolarHBondContact O-CB 3.43Å; Y263-I267 VanDerWaalsContact O-CG1 3.23Å; Y263-I267 WeakPolarHBondContact O-CG1 3.48Å; Y263-I267 PolarHBondContact O-N 3.29Å
264Q96.9Very high93.2Very high47 Ų4740 Ų4022%0.2223%0.225CC..Hα-helixtrans-51.8-48.4-178.3169.9172.5-36.100112.7A153 I267 S268 F278A153-Q264 HydrophobicContact CB-CB 4.25Å; Q264-I267 PolarHBondContact O-N 3.08Å; Q264-S268 WeakPolarHBondContact O-CB 3.39Å; Q264-S268 PolarHBondContact O-N 3.01Å; Q264-S268 PolarHBondContact O-OG 3.1Å; Q264-F278 HydrophobicContact CB-CD1 4.21Å; Q264-F278 HydrophobicContact CB-CE1 3.69Å; Q264-F278 HydrophobicContact CB-CZ 3.97Å; Q264-F278 HydrophobicContact CG-CD1 3.93Å; Q264-F278 HydrophobicContact CG-CD2 4.15Å; Q264-F278 HydrophobicContact CG-CE1 3.68Å; Q264-F278 HydrophobicContact CG-CE2 3.9Å; Q264-F278 HydrophobicContact CG-CG 4.16Å; Q264-F278 HydrophobicContact CG-CZ 3.68Å
265N95.8Very high92.3Very high110 Ų11041.2 Ų41.259%0.58823%0.234SC*.Hα-helixtrans-63.1-51.8-176.9-68.9-7.7000110.7Y263 I267 S268 E269Y263-N265 VanDerWaalsContact C-N 3.32Å; Y263-N265 PolarHBondContact O-N 3.18Å; N265-I267 PolarHBondContact O-N 3.1Å; N265-S268 PolarHBondContact O-N 2.84Å; N265-S268 VanDerWaalsContact O-N 3.15Å; N265-E269 WeakPolarHBondContact O-CG 3.34Å; N265-E269 PolarHBondContact O-N 2.76Å
266W97.4Very high91.8Very high21 Ų2142.3 Ų42.38%0.0824%0.239CC..Hα-helixtrans-57.6-46.8177.8175.280.1000112.1I116 H118 V130 L132 Y263 S268 E269 Q270I116-W266 HydrophobicContact CG2-CZ2 4.14Å; H118-W266 HydrophobicContact CB-CZ2 4.31Å; H118-W266 AromaticContact CD2-CD1 3.8Å; H118-W266 AromaticContact CD2-CD2 3.57Å; H118-W266 AromaticContact CD2-CE2 3.8Å; H118-W266 AromaticContact CD2-CG 3.61Å; H118-W266 AromaticContact CD2-NE1 3.9Å; H118-W266 AromaticContact NE2-CD1 3.96Å; H118-W266 AromaticContact NE2-CG 3.86Å; V130-W266 HydrophobicContact CB-CZ3 4.44Å; V130-W266 HydrophobicContact CG1-CE3 4.14Å; V130-W266 HydrophobicContact CG1-CH2 4.33Å; V130-W266 HydrophobicContact CG1-CZ3 3.86Å; V130-W266 HydrophobicContact CG2-CH2 4.45Å; V130-W266 HydrophobicContact CG2-CZ3 3.77Å; L132-W266 HydrophobicContact CB-CH2 4.34Å; L132-W266 HydrophobicContact CD1-CE3 4.41Å; L132-W266 HydrophobicContact CD1-CH2 3.79Å; L132-W266 HydrophobicContact CD1-CZ2 4.45Å; L132-W266 HydrophobicContact CD1-CZ3 3.75Å; L132-W266 HydrophobicContact CG-CH2 3.77Å; L132-W266 HydrophobicContact CG-CZ3 3.81Å; Y263-W266 PolarHBondContact O-N 3.49Å; W266-S268 VanDerWaalsContact C-N 3.33Å; W266-S268 PolarHBondContact O-N 2.75Å; W266-E269 PolarHBondContact O-N 3.21Å; W266-Q270 HydrophobicContact CD2-CG 4.44Å; W266-Q270 HydrophobicContact CZ2-CG 4.21Å; W266-Q270 WeakPolarHBondContact O-CG 3.42Å; W266-Q270 PolarHBondContact O-N 2.83Å; W266-Q270 VanDerWaalsContact O-N 3.14Å
267I97.1Very high91.4Very high1 Ų142.5 Ų42.51%0.00524%0.241CC..Hα-helixtrans-58.9-46.8177.1-67.5172.8000110.1I71 L77 L150 Y263 Q264 N265 E269 Q270 L271 L276 F278I71-I267 HydrophobicContact CD1-CG2 4.36Å; L77-I267 HydrophobicContact CD1-CD1 4.03Å; L77-I267 HydrophobicContact CD2-CD1 4.49Å; L150-I267 HydrophobicContact CD1-CD1 4.17Å; L150-I267 HydrophobicContact CD1-CG2 4.13Å; Y263-I267 WeakPolarHBondContact O-CB 3.43Å; Y263-I267 VanDerWaalsContact O-CG1 3.23Å; Y263-I267 WeakPolarHBondContact O-CG1 3.48Å; Y263-I267 PolarHBondContact O-N 3.29Å; Q264-I267 PolarHBondContact O-N 3.08Å; N265-I267 PolarHBondContact O-N 3.1Å; I267-E269 VanDerWaalsContact C-N 3.34Å; I267-E269 PolarHBondContact O-N 3.18Å; I267-Q270 PolarHBondContact O-N 3.08Å; I267-L271 HydrophobicContact CG2-CD1 3.85Å; I267-L271 WeakPolarHBondContact O-CD1 3.44Å; I267-L271 PolarHBondContact O-N 3.3Å; I267-L276 HydrophobicContact CG2-CD1 3.41Å; I267-L276 VanDerWaalsContact CG2-CD1 3.41Å; I267-F278 HydrophobicContact CB-CZ 4.18Å; I267-F278 HydrophobicContact CG2-CZ 4.02Å
268S94.9Very high91.3Very high46 Ų4644.7 Ų44.732%0.32225%0.25SS..Hα-helixtrans-63.1-40.1-179-56.40000112Q264 N265 W266 Q270 L271 G272 F278Q264-S268 WeakPolarHBondContact O-CB 3.39Å; Q264-S268 PolarHBondContact O-N 3.01Å; Q264-S268 PolarHBondContact O-OG 3.1Å; N265-S268 PolarHBondContact O-N 2.84Å; N265-S268 VanDerWaalsContact O-N 3.15Å; W266-S268 VanDerWaalsContact C-N 3.33Å; W266-S268 PolarHBondContact O-N 2.75Å; S268-Q270 VanDerWaalsContact C-N 3.35Å; S268-Q270 PolarHBondContact O-N 3.49Å; S268-L271 PolarHBondContact O-N 3.33Å; S268-G272 PolarHBondContact O-N 3.19Å; S268-F278 WeakPolarHBondContact OG-CE2 3.21Å
269E94.7Very high91Very high140 Ų14046.1 Ų46.165%0.65426%0.259SS*.Hα-helixtrans-62-39.7176.5-73.7168.8-171.900112.4N265 W266 I267N265-E269 WeakPolarHBondContact O-CG 3.34Å; N265-E269 PolarHBondContact O-N 2.76Å; W266-E269 PolarHBondContact O-N 3.21Å; I267-E269 VanDerWaalsContact C-N 3.34Å; I267-E269 PolarHBondContact O-N 3.18Å
270Q94.5Very high90.9Very high56 Ų5648.8 Ų48.826%0.26228%0.278SS..Hα-helixtrans-72.4-34-179.8-63.5-47.5-4700113.5I116 L132 W266 I267 S268I116-Q270 HydrophobicContact CD1-CB 4.37Å; I116-Q270 HydrophobicContact CD1-CG 4.48Å; I116-Q270 HydrophobicContact CG2-CG 4.3Å; L132-Q270 HydrophobicContact CD1-CB 3.54Å; L132-Q270 HydrophobicContact CD1-CG 3.86Å; W266-Q270 HydrophobicContact CD2-CG 4.44Å; W266-Q270 HydrophobicContact CZ2-CG 4.21Å; W266-Q270 WeakPolarHBondContact O-CG 3.42Å; W266-Q270 PolarHBondContact O-N 2.83Å; W266-Q270 VanDerWaalsContact O-N 3.14Å; I267-Q270 PolarHBondContact O-N 3.08Å; S268-Q270 VanDerWaalsContact C-N 3.35Å; S268-Q270 PolarHBondContact O-N 3.49Å
271L89.6Confident90.6Very high10 Ų1049 Ų495%0.05228%0.279CS..Hα-helixtrans-85.4-19.3-178.3-83.186.6000113.1I71 W75 L132 I267 S268 A273 D274 L276I71-L271 HydrophobicContact CD1-CD1 4.4Å; I71-L271 HydrophobicContact CD1-CD2 4.25Å; W75-L271 HydrophobicContact CB-CD2 3.91Å; W75-L271 HydrophobicContact CD2-CD1 4.14Å; W75-L271 HydrophobicContact CD2-CD2 4.05Å; W75-L271 HydrophobicContact CD2-CG 3.75Å; W75-L271 HydrophobicContact CE3-CD1 4.21Å; W75-L271 HydrophobicContact CE3-CG 4.3Å; W75-L271 HydrophobicContact CG-CD1 4.46Å; W75-L271 HydrophobicContact CG-CD2 3.59Å; W75-L271 HydrophobicContact CG-CG 3.87Å; W75-L271 HydrophobicContact CZ2-CG 4.14Å; W75-L271 HydrophobicContact CZ3-CD1 4.48Å; L132-L271 HydrophobicContact CD1-CD1 3.63Å; L132-L271 HydrophobicContact CD2-CD1 4.09Å; L132-L271 HydrophobicContact CG-CD1 4.49Å; I267-L271 HydrophobicContact CG2-CD1 3.85Å; I267-L271 WeakPolarHBondContact O-CD1 3.44Å; I267-L271 PolarHBondContact O-N 3.3Å; S268-L271 PolarHBondContact O-N 3.33Å; L271-A273 PolarHBondContact O-N 2.91Å; L271-A273 VanDerWaalsContact O-N 3.17Å; L271-D274 HydrophobicContact CB-CB 4.06Å; L271-D274 HydrophobicContact CD2-CB 4.12Å; L271-D274 PolarHBondContact O-N 3.31Å; L271-D274 VanDerWaalsContact O-N 3.15Å; L271-L276 HydrophobicContact CB-CD1 4.41Å; L271-L276 HydrophobicContact CD1-CD1 4.35Å; L271-L276 HydrophobicContact CD2-CD1 3.81Å; L271-L276 HydrophobicContact CD2-CD2 3.54Å; L271-L276 HydrophobicContact CD2-CG 3.78Å; L271-L276 HydrophobicContact CG-CD1 4.4Å
272G83.8Confident90.3Very high60 Ų6058.5 Ų58.562%0.61931%0.313SS*.THydrogen-bonded Turntrans62.4-115.5176.100000112.1S268 D274S268-G272 PolarHBondContact O-N 3.19Å; G272-D274 VanDerWaalsContact C-N 3.28Å; G272-D274 PolarHBondContact O-N 2.88Å
273A71.4Confident89.3Confident105 Ų10552.3 Ų52.387%0.86829%0.294SS*.THydrogen-bonded Turntrans-80.3-5.2-17900000113.8L271 P275L271-A273 PolarHBondContact O-N 2.91Å; L271-A273 VanDerWaalsContact O-N 3.17Å; A273-P275 WeakPolarHBondContact O-CD 3.01Å
274D72.9Confident87.9Confident41 Ų4156.4 Ų56.422%0.21932%0.324CS..SBendtrans-69.9119.5179.6-93.8-29.7000111H73 W75 L271 G272 L276H73-D274 IonicContact CE1-OD1 3.05Å; H73-D274 PolarHBondContact CE1-OD1 2.62Å; W75-D274 VanDerWaalsContact CD1-OD2 3.25Å; W75-D274 PolarHBondContact NE1-OD2 3.35Å; L271-D274 HydrophobicContact CB-CB 4.06Å; L271-D274 HydrophobicContact CD2-CB 4.12Å; L271-D274 PolarHBondContact O-N 3.31Å; L271-D274 VanDerWaalsContact O-N 3.15Å; G272-D274 VanDerWaalsContact C-N 3.28Å; G272-D274 PolarHBondContact O-N 2.88Å; D274-L276 PolarHBondContact O-N 3.42Å
275P72.1Confident86Confident39 Ų3959.5 Ų59.525%0.25335%0.348SS..  trans-80.5115-171.129.5-32000111.1P23 V26 A273P23-P275 HydrophobicContact CB-CB 3.63Å; P23-P275 HydrophobicContact CB-CG 3Å; P23-P275 HydrophobicContact CG-CB 3.44Å; P23-P275 VanDerWaalsContact CG-CB 3.44Å; P23-P275 HydrophobicContact CG-CG 3.24Å; V26-P275 HydrophobicContact CG2-CB 3.83Å; A273-P275 WeakPolarHBondContact O-CD 3.01Å
276L83.8Confident83.9Confident23 Ų2357.2 Ų57.212%0.1234%0.34CS..  trans-94.9143.2-179.5-73.5172.7000112.8I71 L150 I267 L271 D274 F278I71-L276 HydrophobicContact CB-CD2 4.28Å; I71-L276 HydrophobicContact CD1-CD2 4.05Å; I71-L276 HydrophobicContact CG1-CD2 4.24Å; L150-L276 HydrophobicContact CD1-CD1 4.41Å; L150-L276 HydrophobicContact CD1-CD2 4.38Å; I267-L276 HydrophobicContact CG2-CD1 3.41Å; I267-L276 VanDerWaalsContact CG2-CD1 3.41Å; L271-L276 HydrophobicContact CB-CD1 4.41Å; L271-L276 HydrophobicContact CD1-CD1 4.35Å; L271-L276 HydrophobicContact CD2-CD1 3.81Å; L271-L276 HydrophobicContact CD2-CD2 3.54Å; L271-L276 HydrophobicContact CD2-CG 3.78Å; L271-L276 HydrophobicContact CG-CD1 4.4Å; D274-L276 PolarHBondContact O-N 3.42Å; L276-F278 VanDerWaalsContact C-N 3.26Å; L276-F278 HydrophobicContact CB-CD2 3.74Å; L276-F278 HydrophobicContact CB-CE2 3.68Å; L276-F278 HydrophobicContact CD1-CD2 4.38Å; L276-F278 HydrophobicContact CD1-CE2 3.48Å; L276-F278 VanDerWaalsContact CD1-CE2 3.48Å; L276-F278 HydrophobicContact CD1-CZ 3.98Å; L276-F278 HydrophobicContact CG-CE2 4.25Å; L276-F278 PolarHBondContact O-N 3.08Å
277G87.8Confident81.2Confident3 Ų360.7 Ų60.73%0.03137%0.374CS..  trans-80.76417400000112.6C149 L150C149-G277 CarbonylContact C-O 3.51Å; C149-G277 VanDerWaalsContact CA-O 3.26Å; C149-G277 WeakPolarHBondContact CA-O 3.25Å; C149-G277 VanDerWaalsContact CB-O 3.26Å; C149-G277 WeakPolarHBondContact CB-O 3.18Å; L150-G277 PolarHBondContact N-O 2.01Å
278F94.2Very high78.5Confident47 Ų4763.4 Ų63.421%0.20640%0.396CS..EExtended strand (participates in β ladder)trans-73126.2170.5-76.2-74000110.5L150 A152 Q264 I267 S268 L276L150-F278 HydrophobicContact CB-CD1 3.57Å; L150-F278 HydrophobicContact CB-CE1 3.51Å; L150-F278 HydrophobicContact CB-CG 4.38Å; L150-F278 HydrophobicContact CB-CZ 4.29Å; L150-F278 HydrophobicContact CD1-CE1 3.86Å; L150-F278 HydrophobicContact CD1-CZ 3.83Å; L150-F278 HydrophobicContact CG-CE1 4.35Å; L150-F278 CarbonylContact O-C 3.58Å; L150-F278 WeakPolarHBondContact O-CA 3.5Å; A152-F278 HydrophobicContact CB-CB 4.12Å; Q264-F278 HydrophobicContact CB-CD1 4.21Å; Q264-F278 HydrophobicContact CB-CE1 3.69Å; Q264-F278 HydrophobicContact CB-CZ 3.97Å; Q264-F278 HydrophobicContact CG-CD1 3.93Å; Q264-F278 HydrophobicContact CG-CD2 4.15Å; Q264-F278 HydrophobicContact CG-CE1 3.68Å; Q264-F278 HydrophobicContact CG-CE2 3.9Å; Q264-F278 HydrophobicContact CG-CG 4.16Å; Q264-F278 HydrophobicContact CG-CZ 3.68Å; I267-F278 HydrophobicContact CB-CZ 4.18Å; I267-F278 HydrophobicContact CG2-CZ 4.02Å; S268-F278 WeakPolarHBondContact OG-CE2 3.21Å; L276-F278 VanDerWaalsContact C-N 3.26Å; L276-F278 HydrophobicContact CB-CD2 3.74Å; L276-F278 HydrophobicContact CB-CE2 3.68Å; L276-F278 HydrophobicContact CD1-CD2 4.38Å; L276-F278 HydrophobicContact CD1-CE2 3.48Å; L276-F278 VanDerWaalsContact CD1-CE2 3.48Å; L276-F278 HydrophobicContact CD1-CZ 3.98Å; L276-F278 HydrophobicContact CG-CE2 4.25Å; L276-F278 PolarHBondContact O-N 3.08Å
279V94.1Very high76Confident32 Ų3265.8 Ų65.819%0.19441%0.411CS..EExtended strand (participates in β ladder)trans-125.8128-179.1177.60000109C149 L150 A152 S155 V237 F281C149-V279 HydrophobicContact CB-CB 4.41Å; C149-V279 HydrophobicContact CB-CG2 3.79Å; L150-V279 PolarHBondContact O-N 3.14Å; A152-V279 PolarHBondContact N-O 3.34Å; S155-V279 PolarHBondContact OG-O 2.79Å; V237-V279 HydrophobicContact CG2-CB 4.05Å; V237-V279 HydrophobicContact CG2-CG1 4.02Å; V279-F281 PolarHBondContact O-N 3.39Å
280T94.4Very high73.2Confident83 Ų8368.2 Ų68.251%0.50942%0.422SS..  trans-69.5117.4171.4-53.30000109.4R282T280-R282 HydrophobicContact CG2-CG 4.37Å
281F94.3Very high70.9Confident5 Ų575.4 Ų75.42%0.02245%0.446CS..  trans-98.5129.2172.9-165.6-81.3000109.4S155 D156 F157 Q161 N232 V237 V279S155-F281 CarbonylContact C-O 3.51Å; S155-F281 VanDerWaalsContact CA-O 3.26Å; S155-F281 WeakPolarHBondContact CA-O 3.12Å; S155-F281 PolarHBondContact OG-N 3.35Å; D156-F281 PolarHBondContact N-O 2.98Å; F157-F281 AromaticContact CD1-CD1 3.53Å; F157-F281 HydrophobicContact CD1-CD1 3.53Å; F157-F281 AromaticContact CD1-CE1 3.7Å; F157-F281 HydrophobicContact CD1-CE1 3.7Å; F157-F281 HydrophobicContact CD1-CG 4.02Å; F157-F281 HydrophobicContact CD1-CZ 4.32Å; F157-F281 HydrophobicContact CE1-CB 3.77Å; F157-F281 AromaticContact CE1-CD1 3.36Å; F157-F281 HydrophobicContact CE1-CD1 3.36Å; F157-F281 AromaticContact CE1-CD2 3.76Å; F157-F281 HydrophobicContact CE1-CD2 3.76Å; F157-F281 AromaticContact CE1-CE1 3.82Å; F157-F281 HydrophobicContact CE1-CE1 3.82Å; F157-F281 HydrophobicContact CE1-CE2 4.15Å; F157-F281 AromaticContact CE1-CG 3.34Å; F157-F281 HydrophobicContact CE1-CG 3.34Å; F157-F281 HydrophobicContact CE1-CZ 4.19Å; F157-F281 HydrophobicContact CE2-CB 4.38Å; F157-F281 HydrophobicContact CG-CD1 4.3Å; F157-F281 HydrophobicContact CZ-CB 3.62Å; F157-F281 HydrophobicContact CZ-CD1 4.05Å; F157-F281 HydrophobicContact CZ-CD2 4.35Å; F157-F281 AromaticContact CZ-CG 3.77Å; F157-F281 HydrophobicContact CZ-CG 3.77Å; Q161-F281 HydrophobicContact CG-CE1 4.11Å; Q161-F281 HydrophobicContact CG-CZ 4.27Å; N232-F281 HydrophobicContact CB-CD2 3.92Å; N232-F281 HydrophobicContact CB-CE2 3.8Å; V237-F281 HydrophobicContact CB-CD2 4.18Å; V237-F281 HydrophobicContact CG2-CD2 4.21Å; V279-F281 PolarHBondContact O-N 3.39Å
282R90.3Very high68.4Low211 Ų21179.5 Ų79.580%0.79648%0.482SS*.BIsolated β-bridgetrans-120.6105171.4-65.1-173.5-179.3176.30.7107.4T280 S284T280-R282 HydrophobicContact CG2-CG 4.37Å; R282-S284 PolarHBondContact O-N 3.39Å
283G77.2Confident66.1Low14 Ų1480.8 Ų80.814%0.14449%0.486CS..  trans-57.8130.4171.100000109.6D156 L158D156-G283 PolarHBondContact O-N 2.77Å; L158-G283 WeakPolarHBondContact CD1-O 3.43Å
284S68.6Low64.6Low90 Ų9080.1 Ų80.163%0.62948%0.481SS*.  trans-76.9139.6162.8-68.50000107.6R282 S286R282-S284 PolarHBondContact O-N 3.39Å; S284-S286 VanDerWaalsContact C-N 3.34Å; S284-S286 PolarHBondContact O-N 2.93Å
285P56.8Low63Low112 Ų11282.9 Ų82.973%0.72750%0.504SS*.  trans-60.2102.6167-1426.7000107L158L158-P285 HydrophobicContact CD1-CB 4.29Å; L158-P285 HydrophobicContact CD1-CG 3.98Å
286S52Low61.5Low62 Ų6287.4 Ų87.443%0.43453%0.53SS..PPolyproline II helixtrans-65.5136.8163.5520000106.2S284 A288S284-S286 VanDerWaalsContact C-N 3.34Å; S284-S286 PolarHBondContact O-N 2.93Å; S286-A288 PolarHBondContact O-N 3.26Å
287A41.8Very low59.3Low95 Ų9593.3 Ų93.379%0.78556%0.561SS**PPolyproline II helixtrans-49119.4169.600000106.7
288A40.3Very low56.9Low57 Ų5798 Ų9847%0.47159%0.591SS.*PPolyproline II helixtrans-46.2137.8-176.600000109S286 H290S286-A288 PolarHBondContact O-N 3.26Å; A288-H290 PolarHBondContact O-N 3.29Å; A288-H290 VanDerWaalsContact O-N 3.1Å
289P41.3Very low54.3Low97 Ų97100.5 Ų100.563%0.6362%0.621SS**PPolyproline II helixtrans-50.4128.6172.420.6-29.7000107.3W291P289-W291 PolarHBondContact O-N 3.34Å; P289-W291 PolarHBondContact O-NE1 3.04Å
290H37.2Very low51.8Low190 Ų190106.4 Ų106.488%0.8865%0.65SS**  trans-51.2106-178.2-79.5-83.8000108.7A288 A292A288-H290 PolarHBondContact O-N 3.29Å; A288-H290 VanDerWaalsContact O-N 3.1Å; H290-A292 VanDerWaalsContact C-N 3.3Å; H290-A292 PolarHBondContact O-N 2.99Å
291W45.7Very low49.1Very low207 Ų207107.7 Ų107.778%0.78466%0.662SS**  trans-65.294.5174.5-58.178.4000106.5P289 A293P289-W291 PolarHBondContact O-N 3.34Å; P289-W291 PolarHBondContact O-NE1 3.04Å; W291-A293 PolarHBondContact O-N 2.91Å
292A35.8Very low46.4Very low97 Ų97113 Ų11380%0.80270%0.698SS**  trans-71.583.7160.400000106.2H290 A294H290-A292 VanDerWaalsContact C-N 3.3Å; H290-A292 PolarHBondContact O-N 2.99Å; A292-A294 VanDerWaalsContact C-N 3.35Å; A292-A294 PolarHBondContact O-N 3.44Å
293A36.8Very low44.1Very low86 Ų86110 Ų11071%0.71170%0.697SS**  trans-55110.2154.800000105.2W291 S295W291-A293 PolarHBondContact O-N 2.91Å; A293-S295 PolarHBondContact O-N 2.76Å
294A38.6Very low42.4Very low91 Ų91117 Ų11775%0.75273%0.73SS**  trans-60.795.1168.100000106.2A292 V296A292-A294 VanDerWaalsContact C-N 3.35Å; A292-A294 PolarHBondContact O-N 3.44Å; A294-V296 VanDerWaalsContact C-N 3.32Å; A294-V296 PolarHBondContact O-N 2.89Å
295S39.8Very low41.1Very low100 Ų100118.1 Ų118.170%0.69973%0.733SS**  trans-61.9100.4169.345.50000106.4A293 L297A293-S295 PolarHBondContact O-N 2.76Å; S295-L297 PolarHBondContact O-N 2.91Å
296V40.1Very low40.3Very low133 Ų133119.9 Ų119.981%0.80674%0.735SS**  trans-62.495164.4-179.30000105.8A294 P298A294-V296 VanDerWaalsContact C-N 3.32Å; A294-V296 PolarHBondContact O-N 2.89Å; V296-P298 WeakPolarHBondContact O-CD 3.42Å
297L37.4Very low39.9Very low148 Ų148125.7 Ų125.778%0.77578%0.776SS**  trans-63.3120.9164.4-82.5156.1000106.5S295 A299S295-L297 PolarHBondContact O-N 2.91Å; L297-A299 PolarHBondContact O-N 3.14Å; L297-A299 VanDerWaalsContact O-N 3.14Å
298P37.2Very low39.8Very low100 Ų100127.2 Ų127.265%0.64978%0.775SS**  trans-68.2117.6171.324.2-22.1000107V296 L300V296-P298 WeakPolarHBondContact O-CD 3.42Å; P298-L300 PolarHBondContact O-N 2.92Å
299A40.7Very low39.8Very low101 Ų101130.9 Ų130.984%0.83579%0.791SS**  trans-59.9101.6166.300000107.6L297 C301L297-A299 PolarHBondContact O-N 3.14Å; L297-A299 VanDerWaalsContact O-N 3.14Å; A299-C301 PolarHBondContact O-N 3.18Å; A299-C301 VanDerWaalsContact O-N 3.07Å
300L41.8Very low39.7Very low155 Ų155132.8 Ų132.881%0.81280%0.8SS**  trans-65.2109.3168.2-104.393.9000107.8P298 C302P298-L300 PolarHBondContact O-N 2.92Å; L300-C302 PolarHBondContact O-N 3.07Å
301C37.9Very low39.9Very low111 Ų111129.4 Ų129.475%0.7580%0.796SS**  trans-68.1104169.1-152.50000108.1A299 L303A299-C301 PolarHBondContact O-N 3.18Å; A299-C301 VanDerWaalsContact O-N 3.07Å; C301-L303 PolarHBondContact O-N 3.12Å; C301-L303 VanDerWaalsContact O-N 3.12Å
302C37.9Very low39.5Very low116 Ų116124.6 Ų124.678%0.78480%0.797SS**  trans-74.891165-870000109L300L300-C302 PolarHBondContact O-N 3.07Å
303L41.6Very low39.8Very low147 Ų147126.4 Ų126.477%0.7780%0.796SS**  trans-85.695.6156.5-90.7153.9000107.8C301 V305C301-L303 PolarHBondContact O-N 3.12Å; C301-L303 VanDerWaalsContact O-N 3.12Å; L303-V305 PolarHBondContact O-N 3.36Å
304L40.8Very low40Very low162 Ų162129.3 Ų129.385%0.84880%0.802SS**  trans-82.597.5161.7-94.2155.3000107.9
305V41.1Very low40.1Very low114 Ų114132.2 Ų132.269%0.69181%0.806SS**  trans-85.1131.8154.7175.90000106.8L303L303-V305 PolarHBondContact O-N 3.36Å
306L40.7Very low40.1Very low148 Ų148134.9 Ų134.978%0.77582%0.815SS**  trans-177.8105.7149.4-91.3152.2000105.4
307S43.9Very low40.1Very low184 Ų184135.1 Ų135.1100%1.28782%0.816SS**  69.80102.3-57.60000113.4

Retrieved 307 of 307 residues in 173.1 ms (Link to these results)