A0A087XIM1_POEFO Loading...

Arpin

AlphaFold DB , UniProt , Accession A0A087XIM1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 226 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
1M39.3Very low48.4Very low238 Ų238138.2 Ų138.2100%1.17268%0.684SS**  090.50-74.5174.1176.700108.2R3M1-R3 PolarHBondContact O-N 3.1Å
2S44.6Very low49.6Very low118 Ų118138.8 Ų138.883%0.82569%0.692SS**  trans-73.6109.4179.1-56.60000108.7I4S2-I4 VanDerWaalsContact C-N 3.33Å; S2-I4 PolarHBondContact O-N 3.46Å
3R48.8Very low51.6Low212 Ų212133.6 Ų133.680%0.866%0.663SS**  trans-67.495.7167.7-72.6178.2176.7161.4-1.6107.1M1 Y5M1-R3 PolarHBondContact O-N 3.1Å; R3-Y5 VanDerWaalsContact C-N 3.34Å; R3-Y5 HydrophobicContact CB-CE2 4.38Å; R3-Y5 WeakPolarHBondContact O-CD2 3.48Å; R3-Y5 PolarHBondContact O-N 3.05Å
4I49.1Very low53.8Low139 Ų139130.9 Ų130.971%0.71366%0.659SS**  trans-70.997.6171-53.8172.5000105.5S2 H6S2-I4 VanDerWaalsContact C-N 3.33Å; S2-I4 PolarHBondContact O-N 3.46Å; I4-H6 PolarHBondContact O-N 2.87Å
5Y47.6Very low56Low194 Ų194125.8 Ų125.876%0.76164%0.638SS**  trans-60.9106.2168.5-74.4-91.2000107.4R3 N7R3-Y5 VanDerWaalsContact C-N 3.34Å; R3-Y5 HydrophobicContact CB-CE2 4.38Å; R3-Y5 WeakPolarHBondContact O-CD2 3.48Å; R3-Y5 PolarHBondContact O-N 3.05Å; Y5-N7 PolarHBondContact O-N 3.24Å
6H41Very low58.2Low162 Ų162121.6 Ų121.675%0.7562%0.615SS**  trans-75.770.9171.4-116.975.8000108.3I4 T8I4-H6 PolarHBondContact O-N 2.87Å; H6-T8 VanDerWaalsContact C-N 3.3Å; H6-T8 PolarHBondContact O-N 3.25Å; H6-T8 VanDerWaalsContact O-N 3.09Å
7N47Very low60.1Low121 Ų121120.5 Ų120.565%0.64761%0.611SS**  trans-80.683.7172.2-171.5-6000108.3Y5 S9Y5-N7 PolarHBondContact O-N 3.24Å; N7-S9 PolarHBondContact O-N 3.18Å; N7-S9 PolarHBondContact OD1-N 3.2Å; N7-S9 PolarHBondContact OD1-OG 3.37Å
8T47Very low61.8Low74 Ų74116.3 Ų116.345%0.45459%0.589SS.*  trans-96.852.3172.6-22.70000108.9H6H6-T8 VanDerWaalsContact C-N 3.3Å; H6-T8 PolarHBondContact O-N 3.25Å; H6-T8 VanDerWaalsContact O-N 3.09Å
9S52.8Low63.3Low66 Ų66116.1 Ų116.146%0.46260%0.599SS.*  trans-46.1146161.5-68.40000109N7 Q11N7-S9 PolarHBondContact O-N 3.18Å; N7-S9 PolarHBondContact OD1-N 3.2Å; N7-S9 PolarHBondContact OD1-OG 3.37Å; S9-Q11 PolarHBondContact O-N 2.94Å
10L59.2Low64.5Low43 Ų43111.1 Ų111.123%0.22557%0.572CS.*  trans-39.2112.2180-74.5162.3000110.8V44 M147 L152 T154L10-V44 HydrophobicContact CD1-CG1 4.44Å; L10-V44 HydrophobicContact CD1-CG2 4.1Å; L10-V44 HydrophobicContact CD2-CB 3.96Å; L10-V44 HydrophobicContact CD2-CG2 3.63Å; L10-M147 HydrophobicContact CD1-CE 3.12Å; L10-L152 HydrophobicContact CD1-CB 4.25Å; L10-L152 WeakPolarHBondContact CG-O 3.49Å; L10-T154 HydrophobicContact CD2-CG2 3.83Å
11Q55.9Low65.7Low153 Ų153111.3 Ų111.372%0.71558%0.575SS**  trans-56145.5-177.8-67.3-163.6-17.500109.4S9 K13S9-Q11 PolarHBondContact O-N 2.94Å; Q11-K13 VanDerWaalsContact C-N 3.31Å; Q11-K13 PolarHBondContact O-N 2.78Å
12N63.1Low68Low146 Ų146106.9 Ų106.978%0.78155%0.545SS*.  trans-6690.9-175.3-1593.4000109.9R46N12-R46 PolarHBondContact OD1-NH1 2.88Å
13K75.3Confident70.2Confident71 Ų71105.1 Ų105.131%0.30953%0.529SS..PPolyproline II helixtrans-78.4149.7-178.6-77.5-171.8175.4-160.20111.3Q11 D43 V44Q11-K13 VanDerWaalsContact C-N 3.31Å; Q11-K13 PolarHBondContact O-N 2.78Å; K13-D43 IonicContact NZ-OD1 3.73Å; K13-D43 PolarHBondContact NZ-OD1 2.81Å; K13-D43 IonicContact NZ-OD2 3.22Å; K13-D43 PolarHBondContact NZ-OD2 3.27Å; K13-V44 WeakPolarHBondContact CD-O 3.48Å; K13-V44 WeakPolarHBondContact CE-O 3.41Å; K13-V44 PolarHBondContact NZ-O 2.66Å
14P82.3Confident72.2Confident95 Ų9595.6 Ų95.662%0.61749%0.493SS*.PPolyproline II helixtrans-58.8143.3176.226.2-34.5000110.6
15V87.6Confident74.1Confident55 Ų5591.5 Ų91.533%0.33348%0.476SS..EExtended strand (participates in β ladder)trans-86.6119.9175.2-176.80000108.6R46V15-R46 HydrophobicContact CB-CB 4.45Å; V15-R46 HydrophobicContact CG2-CB 4.03Å
16H90.3Very high76Confident59 Ų5983.8 Ų83.827%0.27345%0.45SS..EExtended strand (participates in β ladder)trans-79.3121.7173.1-63.2-84.4000108.8R46 H47 S48 L132H16-R46 PolarHBondContact CD2-O 3.26Å; H16-R46 PolarHBondContact N-O 3.39Å; H16-H47 CarbonylContact O-C 3.55Å; H16-H47 WeakPolarHBondContact O-CA 3.45Å; H16-S48 PolarHBondContact O-N 2.77Å; H16-L132 WeakPolarHBondContact NE2-CD1 3.4Å
17N90.7Very high78.3Confident102 Ų10279.5 Ų79.555%0.54544%0.438SS..EExtended strand (participates in β ladder)trans-95.5124.9176.1-65.1-87.4000108.2S48 K56N17-S48 WeakPolarHBondContact CA-O 3.37Å; N17-K56 PolarHBondContact OD1-NZ 3.32Å
18E91.2Very high80.3Confident46 Ų4677.7 Ų77.722%0.21544%0.435CS..EExtended strand (participates in β ladder)trans-125.2128.8-177.2-61.2-72172.900108.9S48 I49 S50 I128E18-S48 PolarHBondContact N-O 2.86Å; E18-I49 HydrophobicContact CB-CD1 3.82Å; E18-I49 HydrophobicContact CG-CD1 4.33Å; E18-I49 WeakPolarHBondContact O-CA 3.38Å; E18-S50 PolarHBondContact O-N 3.05Å; E18-I128 HydrophobicContact CG-CG1 4.37Å; E18-I128 HydrophobicContact CG-CG2 3.77Å
19S89.1Confident82.2Confident112 Ų11275.1 Ų75.178%0.78342%0.417SS*.EExtended strand (participates in β ladder)trans-87.8123.1172.356.20000109.2
20F89.2Confident83.9Confident15 Ų1575.4 Ų75.47%0.06641%0.411CS..  trans-98131.1176.6-154.2-111.9000109.6R22 W24 Y29 I49 S50 E124 I128F20-R22 HydrophobicContact CD1-CB 4.17Å; F20-R22 WeakPolarHBondContact CD1-O 3.39Å; F20-R22 HydrophobicContact CE1-CB 4.01Å; F20-R22 PolarHBondContact O-N 2.82Å; F20-W24 HydrophobicContact CD1-CE3 4Å; F20-W24 HydrophobicContact CD2-CE3 4.36Å; F20-W24 HydrophobicContact CD2-CZ3 4.35Å; F20-W24 HydrophobicContact CE1-CE3 4.26Å; F20-W24 HydrophobicContact CE2-CZ3 4.39Å; F20-W24 HydrophobicContact CG-CE3 4.08Å; F20-Y29 WeakPolarHBondContact CZ-OH 3.35Å; F20-I49 HydrophobicContact CB-CG2 3.7Å; F20-I49 HydrophobicContact CG-CG2 4.28Å; F20-S50 PolarHBondContact N-O 3.05Å; F20-E124 HydrophobicContact CE2-CB 4.16Å; F20-E124 HydrophobicContact CE2-CG 4.44Å; F20-E124 HydrophobicContact CZ-CB 4.22Å; F20-E124 HydrophobicContact CZ-CG 4.1Å; F20-I128 HydrophobicContact CD2-CD1 4.46Å
21D87.9Confident85.3Confident117 Ų11776.2 Ų76.263%0.62642%0.42SS*.SBendtrans-78.61.2-172.363.5-26.3000113.7V52D21-V52 VanDerWaalsContact C-CG1 3.43Å; D21-V52 WeakPolarHBondContact O-CG1 3.37Å
22R88.8Confident86.9Confident145 Ų14571.8 Ų71.855%0.54742%0.416SS..SBendtrans-137.3173.6-179.2-62.3176.9180178.9-5.2110.6F20 W24 D51 E124F20-R22 HydrophobicContact CD1-CB 4.17Å; F20-R22 WeakPolarHBondContact CD1-O 3.39Å; F20-R22 HydrophobicContact CE1-CB 4.01Å; F20-R22 PolarHBondContact O-N 2.82Å; R22-W24 PolarHBondContact O-N 3.24Å; R22-D51 WeakPolarHBondContact O-CB 3.37Å; R22-E124 IonicContact NH1-OE2 2.56Å
23V89.9Confident88Confident80 Ų8066.4 Ų66.449%0.48539%0.389SS..  trans-63.5128170.4-1780000109C25 V52 N53V23-C25 PolarHBondContact O-N 3.32Å; V23-V52 HydrophobicContact CG2-CG2 3.89Å; V23-N53 WeakPolarHBondContact CG2-ND2 2.91Å
24W90.7Very high88.7Confident13 Ų1363 Ų635%0.04937%0.374CS..  trans-75.1114.5-179.3178-97.3000110.6F20 R22 P26 I49 D51 V57 F59 L125 W141 F168F20-W24 HydrophobicContact CD1-CE3 4Å; F20-W24 HydrophobicContact CD2-CE3 4.36Å; F20-W24 HydrophobicContact CD2-CZ3 4.35Å; F20-W24 HydrophobicContact CE1-CE3 4.26Å; F20-W24 HydrophobicContact CE2-CZ3 4.39Å; F20-W24 HydrophobicContact CG-CE3 4.08Å; R22-W24 PolarHBondContact O-N 3.24Å; W24-P26 HydrophobicContact CZ2-CG 4.1Å; W24-P26 VanDerWaalsContact NE1-CG 3.26Å; W24-I49 HydrophobicContact CD2-CG2 4.1Å; W24-I49 HydrophobicContact CE3-CB 4.39Å; W24-I49 HydrophobicContact CE3-CG2 3.63Å; W24-I49 HydrophobicContact CH2-CG1 4.15Å; W24-I49 HydrophobicContact CZ2-CG1 4.44Å; W24-I49 HydrophobicContact CZ3-CG1 4.22Å; W24-I49 HydrophobicContact CZ3-CG2 3.93Å; W24-D51 HydrophobicContact CB-CB 3.8Å; W24-D51 PolarHBondContact N-OD2 2.82Å; W24-V57 HydrophobicContact CD2-CG2 4.33Å; W24-V57 HydrophobicContact CG-CG2 4.05Å; W24-F59 AromaticContact CE2-CE2 3.67Å; W24-F59 HydrophobicContact CZ2-CD2 4.08Å; W24-F59 AromaticContact CZ2-CE2 3.43Å; W24-F59 HydrophobicContact CZ2-CE2 3.43Å; W24-F59 VanDerWaalsContact CZ2-CE2 3.43Å; W24-F59 AromaticContact CZ2-CZ 3.77Å; W24-F59 HydrophobicContact CZ2-CZ 3.77Å; W24-F59 AromaticContact NE1-CE2 3.54Å; W24-F59 AromaticContact NE1-CZ 3.74Å; W24-L125 HydrophobicContact CH2-CD2 3.8Å; W24-L125 HydrophobicContact CZ3-CD2 3.81Å; W24-W141 HydrophobicContact CH2-CE3 4.12Å; W24-W141 HydrophobicContact CH2-CH2 4.17Å; W24-W141 AromaticContact CH2-CZ3 3.75Å; W24-W141 HydrophobicContact CH2-CZ3 3.75Å; W24-W141 HydrophobicContact CZ2-CE3 4.4Å; W24-W141 HydrophobicContact CZ2-CZ3 4.3Å; W24-F168 HydrophobicContact CH2-CE1 4.37Å; W24-F168 HydrophobicContact CH2-CZ 4.09Å; W24-F168 AromaticContact CZ2-CE1 3.96Å; W24-F168 HydrophobicContact CZ2-CE1 3.96Å; W24-F168 AromaticContact CZ2-CZ 3.97Å; W24-F168 HydrophobicContact CZ2-CZ 3.97Å
25C89.6Confident89.2Confident53 Ų5358.5 Ų58.536%0.35835%0.345SS..  trans-141.490.3-178.4-171.10000110.4V23 S27 S28V23-C25 PolarHBondContact O-N 3.32Å; C25-S27 PolarHBondContact O-N 2.85Å; C25-S27 PolarHBondContact SG-OG 3.2Å; C25-S28 WeakPolarHBondContact O-CB 3.45Å; C25-S28 PolarHBondContact O-N 3.27Å; C25-S28 VanDerWaalsContact O-N 3.08Å; C25-S28 PolarHBondContact O-OG 3.21Å
26P88.1Confident89.3Confident32 Ų3256.3 Ų56.321%0.20833%0.331CS..G310 helixtrans-55.6-35.4-179.3-29.737.6000113.9W24 S28 Y29 F59 F168W24-P26 HydrophobicContact CZ2-CG 4.1Å; W24-P26 VanDerWaalsContact NE1-CG 3.26Å; P26-S28 PolarHBondContact O-N 3.1Å; P26-Y29 WeakPolarHBondContact O-CD2 3.26Å; P26-Y29 PolarHBondContact O-N 3.08Å; P26-Y29 VanDerWaalsContact O-N 3.1Å; P26-F59 HydrophobicContact CG-CZ 4.34Å; P26-F168 HydrophobicContact CB-CD1 4.16Å; P26-F168 HydrophobicContact CB-CD2 4.17Å; P26-F168 HydrophobicContact CB-CE1 3.9Å; P26-F168 HydrophobicContact CB-CE2 3.92Å; P26-F168 HydrophobicContact CB-CG 4.29Å; P26-F168 HydrophobicContact CB-CZ 3.78Å; P26-F168 HydrophobicContact CG-CE1 4.22Å; P26-F168 HydrophobicContact CG-CZ 4.26Å
27S88Confident89.4Confident71 Ų7153.5 Ų53.550%0.49732%0.318SS..G310 helixtrans-64.3-20.3-18050.60000113.6C25 Y29 E30C25-S27 PolarHBondContact O-N 2.85Å; C25-S27 PolarHBondContact SG-OG 3.2Å; S27-Y29 PolarHBondContact O-N 3.25Å; S27-E30 PolarHBondContact O-N 2.9Å
28S89.6Confident89.4Confident84 Ų8449.7 Ų49.759%0.58730%0.297SS*.G310 helixtrans-68.1-21.2175.373.30000112.7C25 P26C25-S28 WeakPolarHBondContact O-CB 3.45Å; C25-S28 PolarHBondContact O-N 3.27Å; C25-S28 VanDerWaalsContact O-N 3.08Å; C25-S28 PolarHBondContact O-OG 3.21Å; P26-S28 PolarHBondContact O-N 3.1Å
29Y87.8Confident89.5Confident19 Ų1947.6 Ų47.68%0.07529%0.287CS..G310 helixtrans-90.1-13.5177.1-56.8-72.7000113F20 P26 S27 S31 K122 E124 L125 S166 F168F20-Y29 WeakPolarHBondContact CZ-OH 3.35Å; P26-Y29 WeakPolarHBondContact O-CD2 3.26Å; P26-Y29 PolarHBondContact O-N 3.08Å; P26-Y29 VanDerWaalsContact O-N 3.1Å; S27-Y29 PolarHBondContact O-N 3.25Å; Y29-S31 PolarHBondContact O-N 2.91Å; Y29-K122 HydrophobicContact CD1-CB 4.08Å; Y29-K122 HydrophobicContact CD1-CD 4.3Å; Y29-K122 HydrophobicContact CD1-CG 3.76Å; Y29-K122 HydrophobicContact CE1-CB 4.25Å; Y29-K122 HydrophobicContact CE1-CG 4.43Å; Y29-K122 HydrophobicContact CG-CG 4.36Å; Y29-E124 HydrophobicContact CE1-CG 3.96Å; Y29-E124 WeakPolarHBondContact CE1-OE1 3.46Å; Y29-E124 VanDerWaalsContact OH-CD 3.31Å; Y29-E124 WeakPolarHBondContact OH-CG 3.45Å; Y29-L125 HydrophobicContact CD2-CD1 4.4Å; Y29-L125 HydrophobicContact CE2-CD1 4.44Å; Y29-L125 HydrophobicContact CG-CD1 4.5Å; Y29-S166 WeakPolarHBondContact O-CB 3.44Å; Y29-F168 AromaticContact CD2-CE2 3.65Å; Y29-F168 HydrophobicContact CD2-CE2 3.65Å; Y29-F168 HydrophobicContact CD2-CZ 4.25Å; Y29-F168 HydrophobicContact CE2-CE2 4.46Å; Y29-F168 HydrophobicContact CG-CE2 4.19Å
30E88.4Confident89.7Confident73 Ų7346.4 Ų46.434%0.34127%0.268SS..  trans-75.9109-178.6-60.7-178.6-165.800109.1S27 R163S27-E30 PolarHBondContact O-N 2.9Å; E30-R163 HydrophobicContact CG-CB 3.84Å; E30-R163 WeakPolarHBondContact OE1-CD 3.36Å; E30-R163 IonicContact OE1-NH1 3.52Å
31S88.2Confident89.9Confident59 Ų5945.8 Ų45.841%0.41327%0.265SS..  trans-146.1146-18055.40000110.6Y29 G164 N165Y29-S31 PolarHBondContact O-N 2.91Å; S31-G164 CarbonylContact O-C 3.57Å; S31-N165 WeakPolarHBondContact O-CA 3.4Å; S31-N165 WeakPolarHBondContact O-CB 3.46Å; S31-N165 PolarHBondContact O-N 2.9Å
32G88.5Confident90.2Very high60 Ų6043.8 Ų43.862%0.61925%0.253SS*.SBendtrans65.2-168.9179.900000114.1G164G32-G164 WeakPolarHBondContact O-CA 3.31Å
33P86.6Confident90.3Very high34 Ų3439 Ų3922%0.22124%0.239CC..SBendtrans-82-25.1-16628.6-32000114.4Q71 R72 F74P33-Q71 HydrophobicContact CG-CG 3.95Å; P33-R72 VanDerWaalsContact CB-O 3.3Å; P33-R72 WeakPolarHBondContact CB-O 3.3Å; P33-R72 WeakPolarHBondContact O-CB 3.48Å; P33-F74 HydrophobicContact CB-CD2 4.07Å; P33-F74 HydrophobicContact CB-CE2 3.94Å; P33-F74 WeakPolarHBondContact O-CE2 3.4Å
34G90.4Very high90.4Very high0 Ų035.4 Ų35.40%022%0.217CC..BIsolated β-bridgetrans81.8-172.2-175.700000114.5R72 G164 N165G34-R72 PolarHBondContact O-N 3.33Å; G34-G164 WeakPolarHBondContact CA-O 3.27Å; G34-N165 VanDerWaalsContact CA-OD1 3.29Å; G34-N165 WeakPolarHBondContact CA-OD1 3.29Å; G34-N165 PolarHBondContact N-OD1 3.37Å
35I91.7Very high90.5Very high0 Ų035 Ų350%022%0.216CC..EExtended strand (participates in β ladder)trans-126.3151.2-169.866.3169.6000111.6L37 H70 R72 L111 L116 M119 I120 F140 K161 T162I35-L37 HydrophobicContact CD1-CB 4.34Å; I35-L37 HydrophobicContact CD1-CD1 4.33Å; I35-H70 CarbonylContact C-O 3.59Å; I35-H70 WeakPolarHBondContact CA-O 3.42Å; I35-R72 WeakPolarHBondContact O-CD 3.29Å; I35-L111 HydrophobicContact CG2-CD1 3.86Å; I35-L116 HydrophobicContact CD1-CD1 3.16Å; I35-M119 HydrophobicContact CG2-SD 3.73Å; I35-I120 HydrophobicContact CD1-CG2 3.89Å; I35-F140 HydrophobicContact CD1-CE1 3.89Å; I35-F140 HydrophobicContact CD1-CZ 4.05Å; I35-K161 WeakPolarHBondContact O-CA 3.35Å; I35-T162 HydrophobicContact CD1-CG2 3.87Å; I35-T162 HydrophobicContact CG1-CG2 3.42Å; I35-T162 VanDerWaalsContact CG1-CG2 3.42Å; I35-T162 WeakPolarHBondContact CG1-OG1 2.61Å; I35-T162 PolarHBondContact N-OG1 2.9Å; I35-T162 PolarHBondContact O-N 3.35Å
36L90.8Very high90.7Very high8 Ų834.4 Ų34.44%0.04221%0.206CC..EExtended strand (participates in β ladder)trans-111.6115.4164.9175.862.8000107.1H70 R72 P83 F85 R159 L160 K161L36-H70 PolarHBondContact N-O 3.04Å; L36-H70 PolarHBondContact O-N 2.95Å; L36-R72 HydrophobicContact CB-CG 4.32Å; L36-P83 HydrophobicContact CB-CG 4.4Å; L36-P83 HydrophobicContact CD2-CG 3.82Å; L36-F85 HydrophobicContact CD2-CE1 4.28Å; L36-F85 HydrophobicContact CD2-CE2 4.17Å; L36-F85 HydrophobicContact CD2-CZ 3.44Å; L36-F85 VanDerWaalsContact CD2-CZ 3.44Å; L36-F85 HydrophobicContact CG-CZ 4.44Å; L36-R159 HydrophobicContact CD1-CG 3.85Å; L36-L160 WeakPolarHBondContact CA-O 3.41Å; L36-K161 HydrophobicContact CD1-CD 4.48Å; L36-K161 HydrophobicContact CD1-CG 3.64Å
37L91.5Very high90.9Very high0 Ų033 Ų330%020%0.197CC..EExtended strand (participates in β ladder)trans-122.3132.2-175.7-177.2154.2000109.9I35 I64 P66 R68 I69 L116 F140 R159 L160I35-L37 HydrophobicContact CD1-CB 4.34Å; I35-L37 HydrophobicContact CD1-CD1 4.33Å; L37-I64 HydrophobicContact CD2-CG2 3.58Å; L37-P66 HydrophobicContact CD1-CB 4.04Å; L37-P66 HydrophobicContact CG-CB 4.45Å; L37-R68 WeakPolarHBondContact CA-O 3.32Å; L37-I69 HydrophobicContact CD1-CG1 4.29Å; L37-L116 HydrophobicContact CD1-CD1 4.24Å; L37-L116 HydrophobicContact CD1-CD2 3.83Å; L37-F140 HydrophobicContact CD1-CE2 4.05Å; L37-F140 HydrophobicContact CD1-CZ 3.75Å; L37-R159 CarbonylContact O-C 3.57Å; L37-R159 WeakPolarHBondContact O-CA 3.09Å; L37-L160 HydrophobicContact CB-CD1 4Å; L37-L160 HydrophobicContact CB-CG 4.12Å; L37-L160 HydrophobicContact CD2-CD2 4.31Å; L37-L160 HydrophobicContact CD2-CG 4.36Å; L37-L160 PolarHBondContact N-O 2.73Å; L37-L160 PolarHBondContact O-N 3.35Å
38E91.6Very high91.1Very high23 Ų2329.6 Ų29.611%0.10717%0.173CC..EExtended strand (participates in β ladder)trans-111.6133.3164.9-68.9168.3-133.700108.5G67 R68 V158 R159E38-G67 WeakPolarHBondContact O-CA 3.38Å; E38-G67 PolarHBondContact O-N 3.32Å; E38-R68 HydrophobicContact CB-CB 4.3Å; E38-R68 PolarHBondContact N-O 3.1Å; E38-R68 PolarHBondContact O-N 3.43Å; E38-V158 WeakPolarHBondContact CA-O 3.28Å; E38-R159 HydrophobicContact CG-CB 3.99Å; E38-R159 HydrophobicContact CG-CG 3.76Å; E38-R159 VanDerWaalsContact CG-NE 3.29Å; E38-R159 IonicContact OE1-CZ 3.64Å; E38-R159 IonicContact OE1-NE 3.71Å; E38-R159 PolarHBondContact OE1-NE 2.92Å; E38-R159 IonicContact OE1-NH1 3.14Å; E38-R159 IonicContact OE1-NH2 2.74Å; E38-R159 PolarHBondContact OE1-NH2 3.17Å; E38-R159 IonicContact OE2-CZ 2.84Å; E38-R159 IonicContact OE2-NE 2.75Å; E38-R159 IonicContact OE2-NH2 2.86Å; E38-R159 PolarHBondContact OE2-NH2 2.77Å
39G92.8Very high91.3Very high1 Ų125.6 Ų25.61%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-177.2-178.5-179.700000112.6K65 E157 V158G39-K65 CarbonylContact C-O 3.56Å; G39-K65 WeakPolarHBondContact CA-O 3.41Å; G39-E157 VanDerWaalsContact C-OE2 3.3Å; G39-V158 PolarHBondContact N-O 3.3Å; G39-V158 WeakPolarHBondContact O-CG2 3.44Å; G39-V158 PolarHBondContact O-N 2.88Å
40K94.4Very high91.6Very high88 Ų8826.5 Ų26.538%0.38315%0.154SC..EExtended strand (participates in β ladder)trans-94128.6-175.2-168.8171.1-179.71690110.8M42 I64 K65 G155 E157K40-M42 HydrophobicContact CB-SD 4.29Å; K40-M42 HydrophobicContact CD-SD 4.22Å; K40-M42 HydrophobicContact CG-SD 4.18Å; K40-M42 PolarHBondContact O-N 3.2Å; K40-I64 WeakPolarHBondContact O-CA 3.44Å; K40-K65 PolarHBondContact N-O 3.1Å; K40-K65 PolarHBondContact O-N 3.16Å; K40-G155 VanDerWaalsContact CE-CA 3.49Å; K40-G155 WeakPolarHBondContact CE-O 3.3Å; K40-E157 WeakPolarHBondContact CB-OE1 3.49Å
41L93.6Very high91.8Very high1 Ų123.5 Ų23.51%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-68.5110.8169.7-177.760.9000108.8V44 L62 I64 L152 G155 Q156 V158L41-V44 HydrophobicContact CD1-CG2 3.96Å; L41-V44 HydrophobicContact CD2-CG2 3.96Å; L41-V44 HydrophobicContact CG-CG2 4.25Å; L41-L62 HydrophobicContact CD1-CB 3.85Å; L41-L62 HydrophobicContact CD1-CD2 4.32Å; L41-I64 HydrophobicContact CD1-CG1 3.98Å; L41-L152 HydrophobicContact CD2-CB 4.06Å; L41-L152 HydrophobicContact CD2-CD1 4.43Å; L41-G155 WeakPolarHBondContact O-CA 3.37Å; L41-G155 PolarHBondContact O-N 3.07Å; L41-Q156 PolarHBondContact N-O 2.81Å; L41-V158 HydrophobicContact CB-CG1 4.37Å
42M93.4Very high92Very high76 Ų7624.9 Ų24.937%0.37415%0.146SC..EExtended strand (participates in β ladder)trans-88-47-177.6-62.2-58.1-61.300111.2K40 Y63 K65 P134K40-M42 HydrophobicContact CB-SD 4.29Å; K40-M42 HydrophobicContact CD-SD 4.22Å; K40-M42 HydrophobicContact CG-SD 4.18Å; K40-M42 PolarHBondContact O-N 3.2Å; M42-Y63 WeakPolarHBondContact CB-O 3.34Å; M42-Y63 PolarHBondContact N-O 2.85Å; M42-K65 HydrophobicContact CG-CB 3.62Å; M42-K65 HydrophobicContact SD-CB 3.81Å; M42-K65 HydrophobicContact SD-CD 4.34Å; M42-P134 HydrophobicContact CB-CG 4.42Å
43D91.8Very high92.1Very high44 Ų4427.7 Ų27.724%0.23515%0.147CC..EExtended strand (participates in β ladder)trans-156.4170.2-180-159.620000112K13 Y63 P134K13-D43 IonicContact NZ-OD1 3.73Å; K13-D43 PolarHBondContact NZ-OD1 2.81Å; K13-D43 IonicContact NZ-OD2 3.22Å; K13-D43 PolarHBondContact NZ-OD2 3.27Å; D43-Y63 HydrophobicContact CB-CD2 3.99Å; D43-Y63 PolarHBondContact N-O 3.04Å; D43-Y63 WeakPolarHBondContact O-CB 3.34Å; D43-Y63 WeakPolarHBondContact O-CD2 3.39Å; D43-Y63 PolarHBondContact O-N 3.35Å; D43-P134 HydrophobicContact CB-CG 3.77Å
44V91.9Very high92.1Very high4 Ų429.1 Ų29.12%0.02417%0.168CC..EExtended strand (participates in β ladder)trans-136.6143178.6-179.30000110.4L10 K13 L41 Y60 V61 L62L10-V44 HydrophobicContact CD1-CG1 4.44Å; L10-V44 HydrophobicContact CD1-CG2 4.1Å; L10-V44 HydrophobicContact CD2-CB 3.96Å; L10-V44 HydrophobicContact CD2-CG2 3.63Å; K13-V44 WeakPolarHBondContact CD-O 3.48Å; K13-V44 WeakPolarHBondContact CE-O 3.41Å; K13-V44 PolarHBondContact NZ-O 2.66Å; L41-V44 HydrophobicContact CD1-CG2 3.96Å; L41-V44 HydrophobicContact CD2-CG2 3.96Å; L41-V44 HydrophobicContact CG-CG2 4.25Å; V44-Y60 HydrophobicContact CG1-CD1 3.55Å; V44-Y60 HydrophobicContact CG1-CE1 4.32Å; V44-Y60 HydrophobicContact CG1-CG 4.49Å; V44-V61 CarbonylContact C-O 3.5Å; V44-V61 WeakPolarHBondContact CA-O 3.44Å; V44-L62 HydrophobicContact CB-CD2 4.41Å; V44-L62 HydrophobicContact CG1-CD2 3.92Å; V44-L62 HydrophobicContact CG2-CD2 3.69Å
45S92.5Very high92.1Very high5 Ų533.9 Ų33.94%0.03519%0.19CC..EExtended strand (participates in β ladder)trans-132.3152169.860.20000111.4H47 Y60 V61 Y63S45-H47 PolarHBondContact OG-CD2 2.84Å; S45-H47 PolarHBondContact OG-NE2 2.81Å; S45-Y60 CarbonylContact O-C 3.59Å; S45-Y60 WeakPolarHBondContact O-CA 3.11Å; S45-V61 PolarHBondContact N-O 2.89Å; S45-V61 PolarHBondContact O-N 2.82Å; S45-Y63 VanDerWaalsContact OG-CE2 3.31Å; S45-Y63 WeakPolarHBondContact OG-CE2 2.82Å; S45-Y63 PolarHBondContact OG-OH 2.61Å
46R92.4Very high92.1Very high41 Ų4139.4 Ų39.416%0.15521%0.214CC..EExtended strand (participates in β ladder)trans-105.9130.3178.6-66.6179.273.2-179.57.7109.6N12 V15 H16 Y60 E144N12-R46 PolarHBondContact OD1-NH1 2.88Å; V15-R46 HydrophobicContact CB-CB 4.45Å; V15-R46 HydrophobicContact CG2-CB 4.03Å; H16-R46 PolarHBondContact CD2-O 3.26Å; H16-R46 PolarHBondContact N-O 3.39Å; R46-Y60 WeakPolarHBondContact CD-OH 3.39Å; R46-Y60 HydrophobicContact CG-CD1 3.92Å; R46-Y60 HydrophobicContact CG-CE1 3.55Å; R46-Y60 HydrophobicContact CG-CE2 4.17Å; R46-Y60 HydrophobicContact CG-CG 4.41Å; R46-Y60 PolarHBondContact NE-OH 3.47Å; R46-Y60 VanDerWaalsContact NE-OH 3.17Å; R46-E144 IonicContact CZ-OE1 2.74Å; R46-E144 IonicContact NE-OE1 3.9Å; R46-E144 IonicContact NH2-OE1 2.86Å; R46-E144 PolarHBondContact NH2-OE1 2.97Å
47H92.9Very high92.2Very high2 Ų240.5 Ų40.51%0.00922%0.221CC..EExtended strand (participates in β ladder)trans-126.7135.5-177.5-67.1-92.3000110H16 S45 I49 R58 F59 V61 I128H16-H47 CarbonylContact O-C 3.55Å; H16-H47 WeakPolarHBondContact O-CA 3.45Å; S45-H47 PolarHBondContact OG-CD2 2.84Å; S45-H47 PolarHBondContact OG-NE2 2.81Å; H47-I49 HydrophobicContact CB-CD1 4.13Å; H47-R58 CarbonylContact O-C 3.52Å; H47-R58 WeakPolarHBondContact O-CA 3.44Å; H47-F59 PolarHBondContact N-O 3.34Å; H47-F59 PolarHBondContact O-N 3.49Å; H47-V61 VanDerWaalsContact CD2-CG2 3.4Å; H47-V61 WeakPolarHBondContact CD2-CG2 3.17Å; H47-I128 WeakPolarHBondContact ND1-CG2 2.88Å
48S93.4Very high92.2Very high0 Ų046.8 Ų46.80%025%0.245CC..EExtended strand (participates in β ladder)trans-114.8113.8166.7-163.60000109H16 N17 E18 K56 V57H16-S48 PolarHBondContact O-N 2.77Å; N17-S48 WeakPolarHBondContact CA-O 3.37Å; E18-S48 PolarHBondContact N-O 2.86Å; S48-K56 WeakPolarHBondContact OG-CE 3.41Å; S48-K56 WeakPolarHBondContact OG-CG 3.33Å; S48-V57 CarbonylContact C-O 3.49Å; S48-V57 VanDerWaalsContact CA-O 3.28Å; S48-V57 WeakPolarHBondContact CA-O 3.22Å; S48-V57 PolarHBondContact OG-O 3.06Å
49I93.5Very high92.3Very high0 Ų046.4 Ų46.40%024%0.243CC..EExtended strand (participates in β ladder)trans-95.1127.4-179.7-45.3-55.1000108E18 F20 W24 H47 K56 V57 F59 I128 W141E18-I49 HydrophobicContact CB-CD1 3.82Å; E18-I49 HydrophobicContact CG-CD1 4.33Å; E18-I49 WeakPolarHBondContact O-CA 3.38Å; F20-I49 HydrophobicContact CB-CG2 3.7Å; F20-I49 HydrophobicContact CG-CG2 4.28Å; W24-I49 HydrophobicContact CD2-CG2 4.1Å; W24-I49 HydrophobicContact CE3-CB 4.39Å; W24-I49 HydrophobicContact CE3-CG2 3.63Å; W24-I49 HydrophobicContact CH2-CG1 4.15Å; W24-I49 HydrophobicContact CZ2-CG1 4.44Å; W24-I49 HydrophobicContact CZ3-CG1 4.22Å; W24-I49 HydrophobicContact CZ3-CG2 3.93Å; H47-I49 HydrophobicContact CB-CD1 4.13Å; I49-K56 WeakPolarHBondContact O-CA 3.28Å; I49-V57 HydrophobicContact CB-CG2 3.79Å; I49-V57 HydrophobicContact CG1-CG2 4.43Å; I49-V57 PolarHBondContact N-O 3.24Å; I49-V57 PolarHBondContact O-N 3.43Å; I49-F59 HydrophobicContact CG1-CD2 4.35Å; I49-I128 HydrophobicContact CD1-CD1 4.24Å; I49-W141 HydrophobicContact CD1-CH2 3.93Å; I49-W141 HydrophobicContact CD1-CZ3 3.91Å; I49-W141 HydrophobicContact CG1-CH2 4.38Å; I49-W141 HydrophobicContact CG1-CZ3 3.92Å
50S93.4Very high92.3Very high38 Ų3847.8 Ų47.827%0.26625%0.248SC..EExtended strand (participates in β ladder)trans-113.6122.7173.1-51.90000108.6E18 F20 Q55E18-S50 PolarHBondContact O-N 3.05Å; F20-S50 PolarHBondContact N-O 3.05Å; S50-Q55 WeakPolarHBondContact CA-O 3.09Å
51D92.7Very high92.3Very high10 Ų1043.6 Ų43.65%0.05323%0.23CC..  trans-92.4176.5-177.589.4-14.4000112.5R22 W24 N53 G54 Q55R22-D51 WeakPolarHBondContact O-CB 3.37Å; W24-D51 HydrophobicContact CB-CB 3.8Å; W24-D51 PolarHBondContact N-OD2 2.82Å; D51-N53 PolarHBondContact O-N 2.95Å; D51-N53 WeakPolarHBondContact OD1-CA 3.14Å; D51-N53 WeakPolarHBondContact OD1-CB 3.35Å; D51-N53 PolarHBondContact OD1-N 2.89Å; D51-G54 PolarHBondContact O-N 3.17Å; D51-G54 PolarHBondContact OD1-N 3.12Å; D51-G54 VanDerWaalsContact OD1-N 3.1Å; D51-Q55 PolarHBondContact N-O 3.4Å; D51-Q55 WeakPolarHBondContact OD1-CA 3.38Å; D51-Q55 VanDerWaalsContact OD1-CB 3.26Å; D51-Q55 WeakPolarHBondContact OD1-CB 3.34Å; D51-Q55 PolarHBondContact OD1-N 3.14Å
52V91.5Very high92.4Very high87 Ų8743.6 Ų43.653%0.52723%0.23SC..THydrogen-bonded Turntrans-63.8-21.2179.7-62.30000114.4D21 V23 G54D21-V52 VanDerWaalsContact C-CG1 3.43Å; D21-V52 WeakPolarHBondContact O-CG1 3.37Å; V23-V52 HydrophobicContact CG2-CG2 3.89Å; V52-G54 VanDerWaalsContact C-N 3.28Å
53N91.6Very high92.5Very high120 Ų12040 Ų4064%0.64221%0.212SC*.THydrogen-bonded Turntrans-88.41.7177-65.8-29000112.1V23 D51 Q55V23-N53 WeakPolarHBondContact CG2-ND2 2.91Å; D51-N53 PolarHBondContact O-N 2.95Å; D51-N53 WeakPolarHBondContact OD1-CA 3.14Å; D51-N53 WeakPolarHBondContact OD1-CB 3.35Å; D51-N53 PolarHBondContact OD1-N 2.89Å; N53-Q55 PolarHBondContact O-N 3.1Å
54G86.1Confident92.6Very high64 Ų6437.9 Ų37.966%0.6620%0.201SC*.  trans75.710.5-173.800000113.4D51 V52 K56D51-G54 PolarHBondContact O-N 3.17Å; D51-G54 PolarHBondContact OD1-N 3.12Å; D51-G54 VanDerWaalsContact OD1-N 3.1Å; V52-G54 VanDerWaalsContact C-N 3.28Å; G54-K56 PolarHBondContact O-N 2.85Å
55Q90.5Very high92.8Very high99 Ų9943 Ų4346%0.46322%0.223SC..  trans-68.8124.8171.7-170.5-17735.200108.8S50 D51 N53 V57S50-Q55 WeakPolarHBondContact CA-O 3.09Å; D51-Q55 PolarHBondContact N-O 3.4Å; D51-Q55 WeakPolarHBondContact OD1-CA 3.38Å; D51-Q55 VanDerWaalsContact OD1-CB 3.26Å; D51-Q55 WeakPolarHBondContact OD1-CB 3.34Å; D51-Q55 PolarHBondContact OD1-N 3.14Å; N53-Q55 PolarHBondContact O-N 3.1Å; Q55-V57 HydrophobicContact CG-CG1 4.21Å
56K92.3Very high92.9Very high116 Ų11643.3 Ų43.350%0.50423%0.225SC..EExtended strand (participates in β ladder)trans-110.3122.4176.7-168.9168.4-174.1166.40110.1N17 S48 I49 G54N17-K56 PolarHBondContact OD1-NZ 3.32Å; S48-K56 WeakPolarHBondContact OG-CE 3.41Å; S48-K56 WeakPolarHBondContact OG-CG 3.33Å; I49-K56 WeakPolarHBondContact O-CA 3.28Å; G54-K56 PolarHBondContact O-N 2.85Å
57V92.1Very high92.7Very high31 Ų3143.8 Ų43.819%0.18824%0.242CC..EExtended strand (participates in β ladder)trans-124.8155.3178.7-65.70000109.8W24 S48 I49 Q55 F59W24-V57 HydrophobicContact CD2-CG2 4.33Å; W24-V57 HydrophobicContact CG-CG2 4.05Å; S48-V57 CarbonylContact C-O 3.49Å; S48-V57 VanDerWaalsContact CA-O 3.28Å; S48-V57 WeakPolarHBondContact CA-O 3.22Å; S48-V57 PolarHBondContact OG-O 3.06Å; I49-V57 HydrophobicContact CB-CG2 3.79Å; I49-V57 HydrophobicContact CG1-CG2 4.43Å; I49-V57 PolarHBondContact N-O 3.24Å; I49-V57 PolarHBondContact O-N 3.43Å; Q55-V57 HydrophobicContact CG-CG1 4.21Å; V57-F59 HydrophobicContact CB-CE2 3.96Å; V57-F59 HydrophobicContact CG2-CD2 4.22Å; V57-F59 HydrophobicContact CG2-CE2 3.63Å
58R92.6Very high92.5Very high132 Ų13250.4 Ų50.450%0.49827%0.267SS..EExtended strand (participates in β ladder)trans-128135.2-176.5-66.9177-178.1175.32.3111.2H47 E144H47-R58 CarbonylContact O-C 3.52Å; H47-R58 WeakPolarHBondContact O-CA 3.44Å; R58-E144 HydrophobicContact CB-CB 3.94Å; R58-E144 WeakPolarHBondContact CD-OE2 3.46Å; R58-E144 IonicContact CZ-OE2 2.8Å; R58-E144 IonicContact NE-OE2 2.86Å; R58-E144 IonicContact NH1-OE2 2.58Å; R58-E144 PolarHBondContact NH1-OE2 2.82Å; R58-E144 VanDerWaalsContact NH1-OE2 3.07Å; R58-E144 PolarHBondContact O-N 3.47Å
59F92.9Very high92.3Very high16 Ų1650.9 Ų50.97%0.0727%0.269CS..EExtended strand (participates in β ladder)trans-134.9147.1-177.7-71.4-88.8000110.7W24 P26 H47 I49 V57 W141 Y142 P143 F168W24-F59 AromaticContact CE2-CE2 3.67Å; W24-F59 HydrophobicContact CZ2-CD2 4.08Å; W24-F59 AromaticContact CZ2-CE2 3.43Å; W24-F59 HydrophobicContact CZ2-CE2 3.43Å; W24-F59 VanDerWaalsContact CZ2-CE2 3.43Å; W24-F59 AromaticContact CZ2-CZ 3.77Å; W24-F59 HydrophobicContact CZ2-CZ 3.77Å; W24-F59 AromaticContact NE1-CE2 3.54Å; W24-F59 AromaticContact NE1-CZ 3.74Å; P26-F59 HydrophobicContact CG-CZ 4.34Å; H47-F59 PolarHBondContact N-O 3.34Å; H47-F59 PolarHBondContact O-N 3.49Å; I49-F59 HydrophobicContact CG1-CD2 4.35Å; V57-F59 HydrophobicContact CB-CE2 3.96Å; V57-F59 HydrophobicContact CG2-CD2 4.22Å; V57-F59 HydrophobicContact CG2-CE2 3.63Å; F59-W141 HydrophobicContact CB-CE3 3.72Å; F59-W141 HydrophobicContact CB-CZ3 4.14Å; F59-W141 HydrophobicContact CD1-CB 4.36Å; F59-W141 HydrophobicContact CD1-CE3 4.12Å; F59-W141 HydrophobicContact CD2-CE3 4.08Å; F59-W141 HydrophobicContact CD2-CZ3 4.22Å; F59-W141 AromaticContact CG-CE3 3.71Å; F59-W141 HydrophobicContact CG-CE3 3.71Å; F59-W141 HydrophobicContact CG-CZ3 4.22Å; F59-Y142 CarbonylContact C-O 3.59Å; F59-Y142 WeakPolarHBondContact CA-O 3.04Å; F59-P143 HydrophobicContact CE1-CB 4.48Å; F59-P143 HydrophobicContact CE1-CG 4.15Å; F59-F168 HydrophobicContact CE1-CD1 4.31Å; F59-F168 HydrophobicContact CE1-CE1 4.15Å; F59-F168 HydrophobicContact CZ-CE1 4.41Å
60Y92.8Very high92.1Very high30 Ų3051.2 Ų51.212%0.11827%0.271CS..EExtended strand (participates in β ladder)trans-93.1132.8157.9-77.9-108.7000108V44 S45 R46 Y142 E144 M147V44-Y60 HydrophobicContact CG1-CD1 3.55Å; V44-Y60 HydrophobicContact CG1-CE1 4.32Å; V44-Y60 HydrophobicContact CG1-CG 4.49Å; S45-Y60 CarbonylContact O-C 3.59Å; S45-Y60 WeakPolarHBondContact O-CA 3.11Å; R46-Y60 WeakPolarHBondContact CD-OH 3.39Å; R46-Y60 HydrophobicContact CG-CD1 3.92Å; R46-Y60 HydrophobicContact CG-CE1 3.55Å; R46-Y60 HydrophobicContact CG-CE2 4.17Å; R46-Y60 HydrophobicContact CG-CG 4.41Å; R46-Y60 PolarHBondContact NE-OH 3.47Å; R46-Y60 VanDerWaalsContact NE-OH 3.17Å; Y60-Y142 PolarHBondContact N-O 3.48Å; Y60-Y142 PolarHBondContact O-N 2.88Å; Y60-E144 HydrophobicContact CD2-CB 4.15Å; Y60-E144 HydrophobicContact CD2-CG 4.49Å; Y60-E144 HydrophobicContact CE2-CB 4.1Å; Y60-E144 HydrophobicContact CE2-CG 3.94Å; Y60-M147 HydrophobicContact CD1-CE 4.33Å; Y60-M147 HydrophobicContact CD1-CG 3.8Å; Y60-M147 HydrophobicContact CD1-SD 4.26Å; Y60-M147 HydrophobicContact CD2-CB 3.73Å; Y60-M147 HydrophobicContact CD2-CG 3.75Å; Y60-M147 HydrophobicContact CE1-CG 3.96Å; Y60-M147 HydrophobicContact CE2-CB 4.05Å; Y60-M147 HydrophobicContact CE2-CG 3.94Å; Y60-M147 HydrophobicContact CG-CB 4.06Å; Y60-M147 HydrophobicContact CG-CG 3.68Å; Y60-M147 HydrophobicContact CG-SD 4.26Å
61V94.9Very high91.9Very high0 Ų052.5 Ų52.50%027%0.273CS..EExtended strand (participates in β ladder)trans-103.1115.5169.6176.50000107.5V44 S45 H47 Y63 T129 A139 F140 W141V44-V61 CarbonylContact C-O 3.5Å; V44-V61 WeakPolarHBondContact CA-O 3.44Å; S45-V61 PolarHBondContact N-O 2.89Å; S45-V61 PolarHBondContact O-N 2.82Å; H47-V61 VanDerWaalsContact CD2-CG2 3.4Å; H47-V61 WeakPolarHBondContact CD2-CG2 3.17Å; V61-Y63 HydrophobicContact CG1-CD1 4.44Å; V61-Y63 HydrophobicContact CG1-CE1 3.89Å; V61-Y63 HydrophobicContact CG1-CE2 4.28Å; V61-T129 HydrophobicContact CB-CG2 4.47Å; V61-T129 HydrophobicContact CG1-CG2 3.79Å; V61-T129 HydrophobicContact CG2-CG2 4Å; V61-A139 HydrophobicContact CG1-CB 3.72Å; V61-F140 CarbonylContact C-O 3.6Å; V61-F140 WeakPolarHBondContact CA-O 3.33Å; V61-W141 HydrophobicContact CG2-CD2 3.88Å; V61-W141 HydrophobicContact CG2-CE3 4.14Å; V61-W141 HydrophobicContact CG2-CG 4.27Å; V61-W141 HydrophobicContact CG2-CZ2 4.29Å; V61-W141 HydrophobicContact CG2-CZ3 4.45Å
62L94.9Very high91.6Very high1 Ų152.9 Ų52.91%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-92.6119.9177.7-52.3-173.9000108.4L41 V44 I64 F140 M147 L152 I169 L172L41-L62 HydrophobicContact CD1-CB 3.85Å; L41-L62 HydrophobicContact CD1-CD2 4.32Å; V44-L62 HydrophobicContact CB-CD2 4.41Å; V44-L62 HydrophobicContact CG1-CD2 3.92Å; V44-L62 HydrophobicContact CG2-CD2 3.69Å; L62-I64 HydrophobicContact CB-CD1 4.08Å; L62-I64 HydrophobicContact CB-CG1 4.24Å; L62-F140 PolarHBondContact N-O 3.06Å; L62-F140 PolarHBondContact O-N 3Å; L62-M147 HydrophobicContact CD2-SD 4.43Å; L62-L152 HydrophobicContact CD1-CD1 4.01Å; L62-L152 HydrophobicContact CD2-CD1 4.43Å; L62-I169 HydrophobicContact CD1-CD1 3.72Å; L62-I169 HydrophobicContact CG-CD1 4.4Å; L62-L172 HydrophobicContact CD1-CD2 3.58Å
63Y95.5Very high91Very high0 Ų052.9 Ų52.90%027%0.266CS..EExtended strand (participates in β ladder)trans-93110.3175.5-61.5-74000109.4M42 D43 S45 V61 T129 L132 R133 P134 W138 A139M42-Y63 WeakPolarHBondContact CB-O 3.34Å; M42-Y63 PolarHBondContact N-O 2.85Å; D43-Y63 HydrophobicContact CB-CD2 3.99Å; D43-Y63 PolarHBondContact N-O 3.04Å; D43-Y63 WeakPolarHBondContact O-CB 3.34Å; D43-Y63 WeakPolarHBondContact O-CD2 3.39Å; D43-Y63 PolarHBondContact O-N 3.35Å; S45-Y63 VanDerWaalsContact OG-CE2 3.31Å; S45-Y63 WeakPolarHBondContact OG-CE2 2.82Å; S45-Y63 PolarHBondContact OG-OH 2.61Å; V61-Y63 HydrophobicContact CG1-CD1 4.44Å; V61-Y63 HydrophobicContact CG1-CE1 3.89Å; V61-Y63 HydrophobicContact CG1-CE2 4.28Å; Y63-T129 PolarHBondContact OH-O 2.58Å; Y63-L132 HydrophobicContact CE2-CB 4.35Å; Y63-L132 VanDerWaalsContact OH-CB 3.28Å; Y63-L132 WeakPolarHBondContact OH-CB 3.31Å; Y63-R133 HydrophobicContact CD1-CB 4.05Å; Y63-R133 HydrophobicContact CD1-CG 3.89Å; Y63-R133 HydrophobicContact CE1-CB 3.78Å; Y63-R133 HydrophobicContact CE1-CG 4.09Å; Y63-P134 HydrophobicContact CG-CG 4.44Å; Y63-W138 WeakPolarHBondContact CA-O 3.48Å; Y63-A139 HydrophobicContact CD1-CB 4.14Å; Y63-A139 HydrophobicContact CE1-CB 3.94Å
64I95Very high90.3Very high0 Ų051.7 Ų51.70%026%0.255CS..EExtended strand (participates in β ladder)trans-117.8130-170.7-61.7171.5000109.5L37 K40 L41 L62 P66 S137 W138 F140 V158 L160L37-I64 HydrophobicContact CD2-CG2 3.58Å; K40-I64 WeakPolarHBondContact O-CA 3.44Å; L41-I64 HydrophobicContact CD1-CG1 3.98Å; L62-I64 HydrophobicContact CB-CD1 4.08Å; L62-I64 HydrophobicContact CB-CG1 4.24Å; I64-P66 WeakPolarHBondContact O-CD 3.45Å; I64-S137 WeakPolarHBondContact O-CA 3.44Å; I64-W138 PolarHBondContact N-O 3.36Å; I64-W138 PolarHBondContact O-N 3.04Å; I64-F140 HydrophobicContact CB-CD2 4.08Å; I64-F140 HydrophobicContact CB-CE2 4.2Å; I64-F140 HydrophobicContact CD1-CD2 3.95Å; I64-F140 HydrophobicContact CG1-CD2 4.28Å; I64-V158 HydrophobicContact CD1-CG2 3.78Å; I64-V158 HydrophobicContact CG1-CG2 4.25Å; I64-V158 HydrophobicContact CG2-CG2 4.27Å; I64-L160 HydrophobicContact CD1-CD2 3.19Å
65K95.9Very high89.9Confident111 Ų11153.4 Ų53.448%0.48325%0.246SC..EExtended strand (participates in β ladder)trans-85.4114.3169.8179.3173.3-176.2178.60108.4G39 K40 M42G39-K65 CarbonylContact C-O 3.56Å; G39-K65 WeakPolarHBondContact CA-O 3.41Å; K40-K65 PolarHBondContact N-O 3.1Å; K40-K65 PolarHBondContact O-N 3.16Å; M42-K65 HydrophobicContact CG-CB 3.62Å; M42-K65 HydrophobicContact SD-CB 3.81Å; M42-K65 HydrophobicContact SD-CD 4.34Å
66P93.5Very high89.1Confident12 Ų1254.4 Ų54.48%0.07827%0.271CS..EExtended strand (participates in β ladder)trans-64.7138.7-178.826.1-33.7000110.8L37 I64 I69 E113 L116 W138L37-P66 HydrophobicContact CD1-CB 4.04Å; L37-P66 HydrophobicContact CG-CB 4.45Å; I64-P66 WeakPolarHBondContact O-CD 3.45Å; P66-I69 HydrophobicContact CB-CD1 3.7Å; P66-I69 HydrophobicContact CB-CG1 3.68Å; P66-I69 HydrophobicContact CG-CD1 4.23Å; P66-E113 HydrophobicContact CG-CG 4.2Å; P66-L116 HydrophobicContact CB-CD2 4.28Å; P66-L116 HydrophobicContact CG-CD2 4.27Å; P66-W138 HydrophobicContact CG-CD2 4.48Å; P66-W138 HydrophobicContact CG-CE3 3.57Å; P66-W138 HydrophobicContact CG-CH2 3.98Å; P66-W138 HydrophobicContact CG-CZ3 3.28Å
67G89.1Confident88.1Confident50 Ų5053 Ų5352%0.51528%0.276SS..EExtended strand (participates in β ladder)trans-110.4-47.8165.400000111.2E38E38-G67 WeakPolarHBondContact O-CA 3.38Å; E38-G67 PolarHBondContact O-N 3.32Å
68R87.6Confident86.9Confident142 Ų14254.2 Ų54.254%0.53630%0.295SS..EExtended strand (participates in β ladder)trans-132.4129.5175.2-61.7179-178.5-179.6-0.6109.8L37 E38L37-R68 WeakPolarHBondContact CA-O 3.32Å; E38-R68 HydrophobicContact CB-CB 4.3Å; E38-R68 PolarHBondContact N-O 3.1Å; E38-R68 PolarHBondContact O-N 3.43Å
69I90.6Very high85.9Confident9 Ų953.3 Ų53.35%0.04630%0.295CS..EExtended strand (participates in β ladder)trans-125.4124.1-178.1-46.2161.1000106.8L37 P66 R110 L111 E113 L116L37-I69 HydrophobicContact CD1-CG1 4.29Å; P66-I69 HydrophobicContact CB-CD1 3.7Å; P66-I69 HydrophobicContact CB-CG1 3.68Å; P66-I69 HydrophobicContact CG-CD1 4.23Å; I69-R110 CarbonylContact O-C 3.58Å; I69-R110 VanDerWaalsContact O-CA 3.25Å; I69-R110 WeakPolarHBondContact O-CA 3.4Å; I69-L111 HydrophobicContact CB-CB 4.23Å; I69-L111 HydrophobicContact CG2-CB 3.83Å; I69-L111 HydrophobicContact CG2-CD1 4.2Å; I69-L111 PolarHBondContact O-N 3.31Å; I69-E113 HydrophobicContact CD1-CG 4.22Å; I69-L116 HydrophobicContact CD1-CB 4.07Å; I69-L116 HydrophobicContact CD1-CD2 3.72Å; I69-L116 HydrophobicContact CD1-CG 4.46Å; I69-L116 HydrophobicContact CG1-CD2 4.3Å; I69-L116 HydrophobicContact CG2-CB 4.38Å; I69-L116 HydrophobicContact CG2-CD1 4.22Å
70H89.2Confident85Confident8 Ų854.3 Ų54.34%0.03730%0.299CS..EExtended strand (participates in β ladder)trans-128.8147.1175.6-61.981.6000110.2I35 L36 P83 F85 D109I35-H70 CarbonylContact C-O 3.59Å; I35-H70 WeakPolarHBondContact CA-O 3.42Å; L36-H70 PolarHBondContact N-O 3.04Å; L36-H70 PolarHBondContact O-N 2.95Å; H70-P83 HydrophobicContact CB-CB 3.69Å; H70-P83 HydrophobicContact CB-CG 4.12Å; H70-F85 AromaticContact CE1-CD1 3.31Å; H70-F85 WeakPolarHBondContact CE1-CD1 3.48Å; H70-F85 AromaticContact CE1-CE1 3.61Å; H70-F85 AromaticContact ND1-CD1 3.76Å; H70-F85 AromaticContact ND1-CE1 3.57Å; H70-F85 AromaticContact NE2-CD1 3.62Å; H70-D109 VanDerWaalsContact CA-O 3.27Å; H70-D109 WeakPolarHBondContact CA-O 3.47Å
71Q88Confident84Confident65 Ų6554.8 Ų54.830%0.30431%0.306SS..EExtended strand (participates in β ladder)trans-73.8135.5168.7-166.4172.5-11.100109.7P33 P83 D109 L111P33-Q71 HydrophobicContact CG-CG 3.95Å; Q71-P83 WeakPolarHBondContact O-CG 3.34Å; Q71-D109 PolarHBondContact N-O 3.27Å; Q71-L111 HydrophobicContact CB-CD1 3.97Å; Q71-L111 HydrophobicContact CB-CD2 4.29Å; Q71-L111 HydrophobicContact CB-CG 4.21Å
72R86.6Confident82.5Confident18 Ų1859.5 Ų59.57%0.06833%0.328CS..  trans-67.9143.1170.7-66.9175.572-156.7-3.4108.8P33 G34 I35 L36 F74 E80 T162P33-R72 VanDerWaalsContact CB-O 3.3Å; P33-R72 WeakPolarHBondContact CB-O 3.3Å; P33-R72 WeakPolarHBondContact O-CB 3.48Å; G34-R72 PolarHBondContact O-N 3.33Å; I35-R72 WeakPolarHBondContact O-CD 3.29Å; L36-R72 HydrophobicContact CB-CG 4.32Å; R72-F74 HydrophobicContact CB-CE2 4.04Å; R72-E80 IonicContact CZ-OE1 3.07Å; R72-E80 IonicContact CZ-OE2 3.65Å; R72-E80 IonicContact NE-OE1 3.9Å; R72-E80 PolarHBondContact NE-OE1 3.04Å; R72-E80 IonicContact NE-OE2 3.69Å; R72-E80 VanDerWaalsContact NH2-CD 3.25Å; R72-E80 IonicContact NH2-OE1 3.88Å; R72-E80 PolarHBondContact NH2-OE1 2.77Å; R72-E80 IonicContact NH2-OE2 2.96Å; R72-E80 PolarHBondContact NH2-OE2 2.69Å; R72-T162 PolarHBondContact NH1-O 3.47Å
73K79.6Confident81Confident87 Ų8759.7 Ų59.738%0.37833%0.329SS..EExtended strand (participates in β ladder)trans-122.2144.6177.2-80.2-174.3166.3168.60110.5E80 V81 D109K73-E80 WeakPolarHBondContact O-CA 3.3Å; K73-V81 HydrophobicContact CB-CG2 3.58Å; K73-V81 PolarHBondContact O-N 2.96Å; K73-D109 WeakPolarHBondContact CE-OD1 3.45Å; K73-D109 VanDerWaalsContact CE-OD2 3.31Å; K73-D109 WeakPolarHBondContact CE-OD2 3.02Å; K73-D109 IonicContact NZ-OD1 3Å; K73-D109 PolarHBondContact NZ-OD1 2.99Å; K73-D109 IonicContact NZ-OD2 2.73Å; K73-D109 PolarHBondContact NZ-OD2 2.91Å
74F77.2Confident79.4Confident94 Ų9462.5 Ų62.541%0.41234%0.344SS..EExtended strand (participates in β ladder)trans-126.3134176.9-62.2-93.6000107.9P33 R72 K79 E80P33-F74 HydrophobicContact CB-CD2 4.07Å; P33-F74 HydrophobicContact CB-CE2 3.94Å; P33-F74 WeakPolarHBondContact O-CE2 3.4Å; R72-F74 HydrophobicContact CB-CE2 4.04Å; F74-K79 WeakPolarHBondContact CA-O 3.39Å; F74-E80 HydrophobicContact CD1-CB 4.04Å; F74-E80 HydrophobicContact CE1-CB 3.84Å; F74-E80 HydrophobicContact CE1-CG 4.15Å; F74-E80 HydrophobicContact CZ-CG 4.4Å
75E76.8Confident77.5Confident101 Ų10165.6 Ų65.647%0.47236%0.357SS..  trans-66.9162.6166.8-82173.6-168.100110.4S77 G78 K79 V81E75-S77 WeakPolarHBondContact CB-OG 3.28Å; E75-S77 PolarHBondContact O-N 2.85Å; E75-S77 PolarHBondContact OE2-OG 2.79Å; E75-G78 PolarHBondContact O-N 3.17Å; E75-K79 PolarHBondContact N-O 3.06Å; E75-V81 HydrophobicContact CG-CG1 3.53Å; E75-V81 HydrophobicContact CG-CG2 4.39Å; E75-V81 WeakPolarHBondContact OE1-CG1 3.35Å
76A73.4Confident75.2Confident119 Ų11963.1 Ų63.198%0.98335%0.354SS*.THydrogen-bonded Turntrans-57.4-20.3172.700000113.1G78A76-G78 PolarHBondContact O-N 2.74Å
77S71.5Confident73Confident87 Ų8767.5 Ų67.561%0.60838%0.377SS*.THydrogen-bonded Turntrans-74.6-6.9173.363.20000114E75 K79E75-S77 WeakPolarHBondContact CB-OG 3.28Å; E75-S77 PolarHBondContact O-N 2.85Å; E75-S77 PolarHBondContact OE2-OG 2.79Å; S77-K79 VanDerWaalsContact C-N 3.27Å; S77-K79 PolarHBondContact O-N 2.92Å; S77-K79 PolarHBondContact OG-N 2.73Å
78G68.4Low70.9Confident56 Ų5669.1 Ų69.158%0.57738%0.377SS*.SBendtrans80.91.1-174.200000114.2E75 A76E75-G78 PolarHBondContact O-N 3.17Å; A76-G78 PolarHBondContact O-N 2.74Å
79K71.2Confident68.7Low114 Ų11469.2 Ų69.250%0.49638%0.377SS..PPolyproline II helixtrans-78.2129.8176.7-170.9176.5178.4-179.90110.5F74 E75 S77 V81F74-K79 WeakPolarHBondContact CA-O 3.39Å; E75-K79 PolarHBondContact N-O 3.06Å; S77-K79 VanDerWaalsContact C-N 3.27Å; S77-K79 PolarHBondContact O-N 2.92Å; S77-K79 PolarHBondContact OG-N 2.73Å; K79-V81 PolarHBondContact O-N 2.87Å
80E73.6Confident66.5Low36 Ų3676.2 Ų76.217%0.16841%0.407CS..EExtended strand (participates in β ladder)trans-66.2124.7172.5-170.3178.3174.900109.6R72 K73 F74 K161R72-E80 IonicContact CZ-OE1 3.07Å; R72-E80 IonicContact CZ-OE2 3.65Å; R72-E80 IonicContact NE-OE1 3.9Å; R72-E80 PolarHBondContact NE-OE1 3.04Å; R72-E80 IonicContact NE-OE2 3.69Å; R72-E80 VanDerWaalsContact NH2-CD 3.25Å; R72-E80 IonicContact NH2-OE1 3.88Å; R72-E80 PolarHBondContact NH2-OE1 2.77Å; R72-E80 IonicContact NH2-OE2 2.96Å; R72-E80 PolarHBondContact NH2-OE2 2.69Å; K73-E80 WeakPolarHBondContact O-CA 3.3Å; F74-E80 HydrophobicContact CD1-CB 4.04Å; F74-E80 HydrophobicContact CE1-CB 3.84Å; F74-E80 HydrophobicContact CE1-CG 4.15Å; F74-E80 HydrophobicContact CZ-CG 4.4Å; E80-K161 WeakPolarHBondContact OE1-CE 3.35Å; E80-K161 IonicContact OE1-NZ 3.65Å; E80-K161 PolarHBondContact OE1-NZ 2.8Å; E80-K161 IonicContact OE2-NZ 2.91Å; E80-K161 PolarHBondContact OE2-NZ 3.38Å; E80-K161 VanDerWaalsContact OE2-NZ 3.14Å
81V71.4Confident64.5Low41 Ų4177.5 Ų77.525%0.24842%0.415CS..EExtended strand (participates in β ladder)trans-103.9144.2173.5-78.30000110.1K73 E75 K79K73-V81 HydrophobicContact CB-CG2 3.58Å; K73-V81 PolarHBondContact O-N 2.96Å; E75-V81 HydrophobicContact CG-CG1 3.53Å; E75-V81 HydrophobicContact CG-CG2 4.39Å; E75-V81 WeakPolarHBondContact OE1-CG1 3.35Å; K79-V81 PolarHBondContact O-N 2.87Å
82E63Low62.1Low99 Ų9981.5 Ų81.546%0.46344%0.439SS..PPolyproline II helixtrans-61126.4-179.8-168.7163.6-165.300109.8F85E82-F85 HydrophobicContact CG-CD2 4.03Å; E82-F85 HydrophobicContact CG-CE2 3.67Å
83P64.4Low60Low5 Ų583.5 Ų83.53%0.03245%0.453CS..PPolyproline II helixtrans-57.8147.4175.8-22.733.7000110.3L36 H70 Q71 F85 D109L36-P83 HydrophobicContact CB-CG 4.4Å; L36-P83 HydrophobicContact CD2-CG 3.82Å; H70-P83 HydrophobicContact CB-CB 3.69Å; H70-P83 HydrophobicContact CB-CG 4.12Å; Q71-P83 WeakPolarHBondContact O-CG 3.34Å; P83-F85 WeakPolarHBondContact O-CD2 3.29Å; P83-F85 PolarHBondContact O-N 2.88Å; P83-D109 HydrophobicContact CB-CB 4.34Å
84N60.6Low58.5Low58 Ų5883.4 Ų83.431%0.3148%0.477SS..  trans-72.3102.6178.1-173.89.8000110.1S86 D109N84-S86 VanDerWaalsContact C-N 3.3Å; N84-S86 PolarHBondContact OD1-N 3.03Å; N84-S86 VanDerWaalsContact OD1-N 3.13Å; N84-S86 PolarHBondContact OD1-O 2.79Å; N84-S86 PolarHBondContact OD1-OG 2.79Å; N84-D109 PolarHBondContact N-OD2 3.36Å; N84-D109 VanDerWaalsContact N-OD2 3.1Å
85F55Low57Low65 Ų6587.1 Ų87.129%0.28549%0.493SS..  trans-80.6-4.8177.4-70.7-81.7000114.1L36 H70 E82 P83L36-F85 HydrophobicContact CD2-CE1 4.28Å; L36-F85 HydrophobicContact CD2-CE2 4.17Å; L36-F85 HydrophobicContact CD2-CZ 3.44Å; L36-F85 VanDerWaalsContact CD2-CZ 3.44Å; L36-F85 HydrophobicContact CG-CZ 4.44Å; H70-F85 AromaticContact CE1-CD1 3.31Å; H70-F85 WeakPolarHBondContact CE1-CD1 3.48Å; H70-F85 AromaticContact CE1-CE1 3.61Å; H70-F85 AromaticContact ND1-CD1 3.76Å; H70-F85 AromaticContact ND1-CE1 3.57Å; H70-F85 AromaticContact NE2-CD1 3.62Å; E82-F85 HydrophobicContact CG-CD2 4.03Å; E82-F85 HydrophobicContact CG-CE2 3.67Å; P83-F85 WeakPolarHBondContact O-CD2 3.29Å; P83-F85 PolarHBondContact O-N 2.88Å
86S49Very low55.7Low59 Ų5989.4 Ų89.441%0.41351%0.508SS..  trans-107.6123.7-172.663.60000112.4N84 T88N84-S86 VanDerWaalsContact C-N 3.3Å; N84-S86 PolarHBondContact OD1-N 3.03Å; N84-S86 VanDerWaalsContact OD1-N 3.13Å; N84-S86 PolarHBondContact OD1-O 2.79Å; N84-S86 PolarHBondContact OD1-OG 2.79Å; S86-T88 VanDerWaalsContact C-N 3.26Å; S86-T88 PolarHBondContact O-N 2.8Å
87D47.7Very low54.2Low104 Ų10493 Ų9356%0.55651%0.506SS*.SBendtrans-74.9-13.9173-72.4-37.4000112.7S108D87-S108 PolarHBondContact OD1-OG 3.25Å
88T43.3Very low52.8Low84 Ų8493.6 Ų93.652%0.51551%0.511SS..  trans-144.9130.5-178.2480000112.3S86 V102S86-T88 VanDerWaalsContact C-N 3.26Å; S86-T88 PolarHBondContact O-N 2.8Å; T88-V102 HydrophobicContact CG2-CG1 3.4Å
89R41.9Very low51.5Low145 Ų14594.7 Ų94.755%0.54751%0.51SS..EExtended strand (participates in β ladder)trans-103.8119.1166.5-177.7174.7174.6168.6-5.6108V91 K105R89-V91 HydrophobicContact CG-CG1 4.39Å; R89-V91 PolarHBondContact O-N 2.8Å; R89-V91 VanDerWaalsContact O-N 3.11Å; R89-K105 HydrophobicContact CB-CB 4.44Å; R89-K105 HydrophobicContact CB-CD 4.39Å; R89-K105 VanDerWaalsContact NH1-NZ 3.19Å
90K44.3Very low50Low155 Ų15597.7 Ų97.767%0.67452%0.519SS*.EExtended strand (participates in β ladder)trans-64.9110.7164.2-79.2-176.4176.4179.60107.7
91V46.8Very low48.6Very low35 Ų35101.6 Ų101.621%0.21254%0.535CS..EExtended strand (participates in β ladder)trans-90.1122170.8-72.80000107.9R89 T93 K101 E103R89-V91 HydrophobicContact CG-CG1 4.39Å; R89-V91 PolarHBondContact O-N 2.8Å; R89-V91 VanDerWaalsContact O-N 3.11Å; V91-T93 PolarHBondContact O-N 2.99Å; V91-T93 VanDerWaalsContact O-N 3.09Å; V91-K101 WeakPolarHBondContact CG2-O 3.4Å; V91-E103 HydrophobicContact CG2-CB 4.42Å; V91-E103 HydrophobicContact CG2-CG 4.11Å
92N39.5Very low47.2Very low150 Ų150103.7 Ų103.780%0.80255%0.548SS*.EExtended strand (participates in β ladder)trans-7595.5171.4-172.5-14.5000106.9G94N92-G94 PolarHBondContact O-N 3.42Å
93T41.1Very low46.1Very low60 Ų60103.1 Ų103.137%0.36855%0.545SS..  trans-68.8110.3166.445.80000106.3V91 F95 S99V91-T93 PolarHBondContact O-N 2.99Å; V91-T93 VanDerWaalsContact O-N 3.09Å; T93-F95 PolarHBondContact O-N 2.88Å; T93-S99 PolarHBondContact OG1-O 2.81Å; T93-S99 VanDerWaalsContact OG1-O 3.14Å
94G49.2Very low45Very low84 Ų84107.5 Ų107.587%0.86658%0.583SS**SBendtrans-64.560.9-172.600000115.1N92N92-G94 PolarHBondContact O-N 3.42Å
95F44.6Very low44.2Very low172 Ų172110.1 Ų110.175%0.75459%0.591SS**SBendtrans-128.2122.4170.7-157-99.8000108.5T93 M97T93-F95 PolarHBondContact O-N 2.88Å; F95-M97 PolarHBondContact O-N 3.01Å
96L50.9Low43.6Very low150 Ų150110.1 Ų110.179%0.78561%0.609SS**THydrogen-bonded Turntrans-4.6100.7178.1-138.675.4000116.1S98L96-S98 VanDerWaalsContact C-N 3.32Å; L96-S98 PolarHBondContact O-N 3.45Å; L96-S98 PolarHBondContact O-OG 3.03Å
97M40.5Very low43.6Very low193 Ų193116.2 Ų116.295%0.95163%0.631SS**THydrogen-bonded Turntrans50.411.1154.1-71.9-65.4-170.800121.3F95F95-M97 PolarHBondContact O-N 3.01Å
98S43.1Very low43.9Very low100 Ų100113.3 Ų113.370%0.69962%0.619SS**  trans-163.441.4-177.343.20000118.3L96L96-S98 VanDerWaalsContact C-N 3.32Å; L96-S98 PolarHBondContact O-N 3.45Å; L96-S98 PolarHBondContact O-OG 3.03Å
99S40Very low45.3Very low80 Ų80110.1 Ų110.156%0.55960%0.599SS**  trans-148.1106.2167.2-61.50000112.1T93T93-S99 PolarHBondContact OG1-O 2.81Å; T93-S99 VanDerWaalsContact OG1-O 3.14Å
100Y40.6Very low47.2Very low176 Ų176109.9 Ų109.969%0.6960%0.598SS**EExtended strand (participates in β ladder)trans-93.8115166.537.7-91.7000108.5
101K43Very low49.2Very low118 Ų118103.2 Ų103.251%0.51357%0.57SS.*EExtended strand (participates in β ladder)trans-91.8123.5168.1-162.5179.3175.6-154.10108.4V91 E103V91-K101 WeakPolarHBondContact CG2-O 3.4Å; K101-E103 HydrophobicContact CD-CG 4.09Å; K101-E103 WeakPolarHBondContact CE-OE1 3.37Å; K101-E103 HydrophobicContact CG-CG 4.1Å; K101-E103 IonicContact NZ-OE1 2.8Å; K101-E103 PolarHBondContact NZ-OE1 3.12Å; K101-E103 PolarHBondContact O-N 3.39Å
102V43.5Very low51.2Low85 Ų85105 Ų10552%0.51558%0.581SS.*EExtended strand (participates in β ladder)trans-83.7100.8172.2-178.40000106.4T88T88-V102 HydrophobicContact CG2-CG1 3.4Å
103E38.8Very low53.7Low87 Ų87102.7 Ų102.741%0.40757%0.565SS.*EExtended strand (participates in β ladder)trans-97.2130.2171.8-66.2-166.7153.400109.3V91 K101 K105V91-E103 HydrophobicContact CG2-CB 4.42Å; V91-E103 HydrophobicContact CG2-CG 4.11Å; K101-E103 HydrophobicContact CD-CG 4.09Å; K101-E103 WeakPolarHBondContact CE-OE1 3.37Å; K101-E103 HydrophobicContact CG-CG 4.1Å; K101-E103 IonicContact NZ-OE1 2.8Å; K101-E103 PolarHBondContact NZ-OE1 3.12Å; K101-E103 PolarHBondContact O-N 3.39Å; E103-K105 PolarHBondContact O-N 3.26Å
104A41.7Very low56.1Low98 Ų98105.6 Ų105.681%0.8158%0.579SS**  trans-66.997.3170.500000108G106A104-G106 PolarHBondContact O-N 3Å
105K43.4Very low58.1Low112 Ų112105.3 Ų105.349%0.48756%0.555SS.*  trans-93.594.1-175.6-160-179.5-173.1-1780110.3R89 E103R89-K105 HydrophobicContact CB-CB 4.44Å; R89-K105 HydrophobicContact CB-CD 4.39Å; R89-K105 VanDerWaalsContact NH1-NZ 3.19Å; E103-K105 PolarHBondContact O-N 3.26Å
106G42.8Very low60.4Low65 Ų6597.1 Ų97.167%0.6752%0.519SS*.SBendtrans76.9157.6160.900000115.4A104 S108A104-G106 PolarHBondContact O-N 3Å; G106-S108 PolarHBondContact O-N 3.4Å; G106-S108 VanDerWaalsContact O-N 3.08Å
107E48.1Very low62.4Low188 Ų18891.4 Ų91.488%0.87949%0.491SS*.  trans-49.7115.5175.2-67.3176.8147.400109.5D109E107-D109 PolarHBondContact O-N 2.87Å
108S54.9Low64.8Low42 Ų4289.6 Ų89.629%0.29448%0.48SS..  trans-56131.9172-171.50000107.6D87 G106 R110D87-S108 PolarHBondContact OD1-OG 3.25Å; G106-S108 PolarHBondContact O-N 3.4Å; G106-S108 VanDerWaalsContact O-N 3.08Å; S108-R110 PolarHBondContact O-N 3.43Å; S108-R110 VanDerWaalsContact OG-CB 3.29Å; S108-R110 WeakPolarHBondContact OG-CB 3.41Å
109D71.6Confident67.1Low18 Ų1886.2 Ų86.210%0.09645%0.454CS..SBendtrans-69.15.2175.8-69.3-41.1000112.8H70 Q71 K73 P83 N84 E107 L111H70-D109 VanDerWaalsContact CA-O 3.27Å; H70-D109 WeakPolarHBondContact CA-O 3.47Å; Q71-D109 PolarHBondContact N-O 3.27Å; K73-D109 WeakPolarHBondContact CE-OD1 3.45Å; K73-D109 VanDerWaalsContact CE-OD2 3.31Å; K73-D109 WeakPolarHBondContact CE-OD2 3.02Å; K73-D109 IonicContact NZ-OD1 3Å; K73-D109 PolarHBondContact NZ-OD1 2.99Å; K73-D109 IonicContact NZ-OD2 2.73Å; K73-D109 PolarHBondContact NZ-OD2 2.91Å; P83-D109 HydrophobicContact CB-CB 4.34Å; N84-D109 PolarHBondContact N-OD2 3.36Å; N84-D109 VanDerWaalsContact N-OD2 3.1Å; E107-D109 PolarHBondContact O-N 2.87Å; D109-L111 PolarHBondContact O-N 2.86Å
110R82Confident69.6Low140 Ų14082.5 Ų82.553%0.52843%0.428SS..BIsolated β-bridgetrans-67.9123.2177.7-172.2175-178174.2-0110I69 S108I69-R110 CarbonylContact O-C 3.58Å; I69-R110 VanDerWaalsContact O-CA 3.25Å; I69-R110 WeakPolarHBondContact O-CA 3.4Å; S108-R110 PolarHBondContact O-N 3.43Å; S108-R110 VanDerWaalsContact OG-CB 3.29Å; S108-R110 WeakPolarHBondContact OG-CB 3.41Å
111L86.3Confident72Confident14 Ų1477.3 Ų77.37%0.07341%0.412CS..PPolyproline II helixtrans-93.6149.7175.6-61.3173.9000110.4I35 I69 Q71 D109 Q115 M119I35-L111 HydrophobicContact CG2-CD1 3.86Å; I69-L111 HydrophobicContact CB-CB 4.23Å; I69-L111 HydrophobicContact CG2-CB 3.83Å; I69-L111 HydrophobicContact CG2-CD1 4.2Å; I69-L111 PolarHBondContact O-N 3.31Å; Q71-L111 HydrophobicContact CB-CD1 3.97Å; Q71-L111 HydrophobicContact CB-CD2 4.29Å; Q71-L111 HydrophobicContact CB-CG 4.21Å; D109-L111 PolarHBondContact O-N 2.86Å; L111-Q115 HydrophobicContact CB-CB 4.25Å; L111-Q115 HydrophobicContact CD2-CB 4.33Å; L111-M119 HydrophobicContact CD1-CE 3.83Å; L111-M119 HydrophobicContact CD1-SD 3.74Å; L111-M119 HydrophobicContact CD2-CE 4.02Å
112T90Very high74.4Confident73 Ų7373.6 Ų73.645%0.44840%0.396SS..PPolyproline II helixtrans-80.2164.3168.767.40000111.2D114 Q115 L116T112-D114 PolarHBondContact O-N 3.25Å; T112-Q115 PolarHBondContact O-N 3.19Å; T112-Q115 WeakPolarHBondContact OG1-CG 3.4Å; T112-Q115 PolarHBondContact OG1-N 3.12Å; T112-L116 PolarHBondContact O-N 2.86Å
113E91.8Very high76.6Confident102 Ų10274.7 Ų74.748%0.47740%0.403SS..Hα-helixtrans-62.1-31.8174.8-69-175.617500112.6P66 I69 L116 S117 W138P66-E113 HydrophobicContact CG-CG 4.2Å; I69-E113 HydrophobicContact CD1-CG 4.22Å; E113-L116 WeakPolarHBondContact O-CB 3.4Å; E113-S117 WeakPolarHBondContact O-CB 3.49Å; E113-S117 PolarHBondContact O-N 3.46Å; E113-S117 PolarHBondContact O-OG 2.88Å; E113-W138 HydrophobicContact CB-CH2 3.71Å; E113-W138 HydrophobicContact CB-CZ2 3.76Å; E113-W138 HydrophobicContact CG-CH2 3.76Å; E113-W138 HydrophobicContact CG-CZ2 4.26Å
114D91.4Very high79.1Confident121 Ų12173.2 Ų73.265%0.64740%0.396SS*.Hα-helixtrans-66.9-44.2173.8-66.5-56.5000111.5T112 S117 Q118T112-D114 PolarHBondContact O-N 3.25Å; D114-S117 WeakPolarHBondContact O-CB 3.31Å; D114-S117 PolarHBondContact O-N 3.16Å; D114-Q118 WeakPolarHBondContact O-CG 3.43Å; D114-Q118 PolarHBondContact O-N 2.84Å
115Q90.9Very high81.5Confident78 Ų7868.7 Ų68.736%0.36436%0.358SS..Hα-helixtrans-64.9-40.8176-72.8175.4-38.900111.6L111 T112 S117 Q118 M119L111-Q115 HydrophobicContact CB-CB 4.25Å; L111-Q115 HydrophobicContact CD2-CB 4.33Å; T112-Q115 PolarHBondContact O-N 3.19Å; T112-Q115 WeakPolarHBondContact OG1-CG 3.4Å; T112-Q115 PolarHBondContact OG1-N 3.12Å; Q115-S117 VanDerWaalsContact C-N 3.31Å; Q115-S117 PolarHBondContact O-N 2.74Å; Q115-Q118 PolarHBondContact O-N 2.75Å; Q115-M119 WeakPolarHBondContact O-CG 3.34Å; Q115-M119 PolarHBondContact O-N 3.09Å
116L92.4Very high83.8Confident0 Ų065.2 Ų65.20%035%0.346CS..Hα-helixtrans-54.6-50.3172.1172.962.4000110.7I35 L37 P66 I69 T112 E113 Q118 M119 I120 W138 F140I35-L116 HydrophobicContact CD1-CD1 3.16Å; L37-L116 HydrophobicContact CD1-CD1 4.24Å; L37-L116 HydrophobicContact CD1-CD2 3.83Å; P66-L116 HydrophobicContact CB-CD2 4.28Å; P66-L116 HydrophobicContact CG-CD2 4.27Å; I69-L116 HydrophobicContact CD1-CB 4.07Å; I69-L116 HydrophobicContact CD1-CD2 3.72Å; I69-L116 HydrophobicContact CD1-CG 4.46Å; I69-L116 HydrophobicContact CG1-CD2 4.3Å; I69-L116 HydrophobicContact CG2-CB 4.38Å; I69-L116 HydrophobicContact CG2-CD1 4.22Å; T112-L116 PolarHBondContact O-N 2.86Å; E113-L116 WeakPolarHBondContact O-CB 3.4Å; L116-Q118 VanDerWaalsContact C-N 3.33Å; L116-Q118 PolarHBondContact O-N 2.77Å; L116-M119 PolarHBondContact O-N 3.42Å; L116-M119 VanDerWaalsContact O-N 3.12Å; L116-I120 HydrophobicContact CD1-CD1 4.01Å; L116-I120 HydrophobicContact CD1-CG1 4.34Å; L116-I120 HydrophobicContact CD1-CG2 3.91Å; L116-I120 HydrophobicContact CG-CD1 4.24Å; L116-I120 WeakPolarHBondContact O-CG1 3.28Å; L116-I120 PolarHBondContact O-N 2.9Å; L116-W138 HydrophobicContact CD2-CB 4.5Å; L116-W138 HydrophobicContact CD2-CD2 3.71Å; L116-W138 HydrophobicContact CD2-CE3 4.27Å; L116-W138 HydrophobicContact CD2-CG 3.82Å; L116-W138 HydrophobicContact CD2-CZ2 4.41Å; L116-W138 HydrophobicContact CG-CD2 4.47Å; L116-W138 HydrophobicContact CG-CG 4.28Å; L116-F140 HydrophobicContact CD1-CZ 4.35Å
117S92.8Very high86.1Confident29 Ų2969.1 Ų69.120%0.20335%0.345CS..Hα-helixtrans-57.6-45179.1-610000111.9E113 D114 Q115 M119 N121 W138E113-S117 WeakPolarHBondContact O-CB 3.49Å; E113-S117 PolarHBondContact O-N 3.46Å; E113-S117 PolarHBondContact O-OG 2.88Å; D114-S117 WeakPolarHBondContact O-CB 3.31Å; D114-S117 PolarHBondContact O-N 3.16Å; Q115-S117 VanDerWaalsContact C-N 3.31Å; Q115-S117 PolarHBondContact O-N 2.74Å; S117-M119 VanDerWaalsContact C-N 3.3Å; S117-M119 PolarHBondContact O-N 3.33Å; S117-N121 WeakPolarHBondContact O-CB 3.12Å; S117-N121 PolarHBondContact O-N 2.86Å; S117-W138 PolarHBondContact OG-NE1 3.14Å
118Q91.6Very high88.1Confident155 Ų15560.8 Ų60.872%0.72431%0.306SS*.Hα-helixtrans-62.8-35.7177.5-69.7174.811.900112.8D114 Q115 L116D114-Q118 WeakPolarHBondContact O-CG 3.43Å; D114-Q118 PolarHBondContact O-N 2.84Å; Q115-Q118 PolarHBondContact O-N 2.75Å; L116-Q118 VanDerWaalsContact C-N 3.33Å; L116-Q118 PolarHBondContact O-N 2.77Å
119M90.9Very high89.9Confident30 Ų3059 Ų5915%0.14829%0.293CS..Hα-helixtrans-73.9-46.8-179.8-70.1-174.6-174.200112I35 L111 Q115 L116 S117 K122 N165I35-M119 HydrophobicContact CG2-SD 3.73Å; L111-M119 HydrophobicContact CD1-CE 3.83Å; L111-M119 HydrophobicContact CD1-SD 3.74Å; L111-M119 HydrophobicContact CD2-CE 4.02Å; Q115-M119 WeakPolarHBondContact O-CG 3.34Å; Q115-M119 PolarHBondContact O-N 3.09Å; L116-M119 PolarHBondContact O-N 3.42Å; L116-M119 VanDerWaalsContact O-N 3.12Å; S117-M119 VanDerWaalsContact C-N 3.3Å; S117-M119 PolarHBondContact O-N 3.33Å; M119-K122 PolarHBondContact O-NZ 3.24Å; M119-N165 HydrophobicContact CB-CB 4.1Å; M119-N165 HydrophobicContact CG-CB 4.42Å; M119-N165 CarbonylContact O-C 3.57Å
120I92.4Very high90.7Very high1 Ų161.8 Ų61.81%0.00531%0.308CS..Hα-helixtrans-99-26.1-167.775.8169.1000114.4I35 L116 K122 W138 F140 P167I35-I120 HydrophobicContact CD1-CG2 3.89Å; L116-I120 HydrophobicContact CD1-CD1 4.01Å; L116-I120 HydrophobicContact CD1-CG1 4.34Å; L116-I120 HydrophobicContact CD1-CG2 3.91Å; L116-I120 HydrophobicContact CG-CD1 4.24Å; L116-I120 WeakPolarHBondContact O-CG1 3.28Å; L116-I120 PolarHBondContact O-N 2.9Å; I120-K122 PolarHBondContact O-N 3.1Å; I120-W138 HydrophobicContact CD1-CB 3.69Å; I120-W138 VanDerWaalsContact CD1-CD1 3.44Å; I120-W138 HydrophobicContact CD1-CG 3.87Å; I120-F140 HydrophobicContact CD1-CD1 4.49Å; I120-F140 HydrophobicContact CD1-CE1 3.69Å; I120-F140 HydrophobicContact CD1-CE2 4.23Å; I120-F140 HydrophobicContact CD1-CZ 3.53Å; I120-F140 HydrophobicContact CG2-CE1 4.24Å; I120-P167 HydrophobicContact CB-CB 4.3Å; I120-P167 WeakPolarHBondContact O-CD 3.38Å
121N92.3Very high91.1Very high67 Ų6762.6 Ų62.636%0.35832%0.316SS..  trans-76.5103.5-175.2-69.1-13.4000109.9S117 V126S117-N121 WeakPolarHBondContact O-CB 3.12Å; S117-N121 PolarHBondContact O-N 2.86Å; N121-V126 HydrophobicContact CB-CG2 3.8Å
122K92.6Very high91.1Very high40 Ų4064.9 Ų64.917%0.17433%0.327CS..  trans-97.4124.6169.7-50.7-55.5179.7-166.80108.4Y29 M119 I120 E124 L125 V126 N165Y29-K122 HydrophobicContact CD1-CB 4.08Å; Y29-K122 HydrophobicContact CD1-CD 4.3Å; Y29-K122 HydrophobicContact CD1-CG 3.76Å; Y29-K122 HydrophobicContact CE1-CB 4.25Å; Y29-K122 HydrophobicContact CE1-CG 4.43Å; Y29-K122 HydrophobicContact CG-CG 4.36Å; M119-K122 PolarHBondContact O-NZ 3.24Å; I120-K122 PolarHBondContact O-N 3.1Å; K122-E124 PolarHBondContact O-N 2.8Å; K122-E124 VanDerWaalsContact O-N 3.1Å; K122-L125 HydrophobicContact CB-CB 4.36Å; K122-L125 HydrophobicContact CB-CD1 4.1Å; K122-L125 HydrophobicContact CB-CG 4.16Å; K122-L125 HydrophobicContact CG-CD1 4.27Å; K122-L125 PolarHBondContact O-N 2.98Å; K122-V126 WeakPolarHBondContact O-CG2 3.46Å; K122-V126 PolarHBondContact O-N 2.9Å; K122-N165 WeakPolarHBondContact CE-O 3.37Å; K122-N165 PolarHBondContact NZ-O 3.43Å
123T90.4Very high91.2Very high108 Ų10866.1 Ų66.166%0.66332%0.324SS*.Hα-helixtrans-50.4-42.5-170.1-52.50000113.2K127T123-K127 WeakPolarHBondContact O-CG 3.39Å; T123-K127 PolarHBondContact O-N 2.56Å
124E90.9Very high91.2Very high56 Ų5663 Ų6326%0.26231%0.313SS..Hα-helixtrans-70.5-34.3179.851.1-145.4140.300113.8F20 R22 Y29 K122F20-E124 HydrophobicContact CE2-CB 4.16Å; F20-E124 HydrophobicContact CE2-CG 4.44Å; F20-E124 HydrophobicContact CZ-CB 4.22Å; F20-E124 HydrophobicContact CZ-CG 4.1Å; R22-E124 IonicContact NH1-OE2 2.56Å; Y29-E124 HydrophobicContact CE1-CG 3.96Å; Y29-E124 WeakPolarHBondContact CE1-OE1 3.46Å; Y29-E124 VanDerWaalsContact OH-CD 3.31Å; Y29-E124 WeakPolarHBondContact OH-CG 3.45Å; K122-E124 PolarHBondContact O-N 2.8Å; K122-E124 VanDerWaalsContact O-N 3.1Å
125L91.6Very high91.2Very high3 Ų362 Ų622%0.01632%0.321CS..Hα-helixtrans-77.2-36.4175.1-58-179000112.1W24 Y29 K122 K127 I128 T129 W141 P167 F168W24-L125 HydrophobicContact CH2-CD2 3.8Å; W24-L125 HydrophobicContact CZ3-CD2 3.81Å; Y29-L125 HydrophobicContact CD2-CD1 4.4Å; Y29-L125 HydrophobicContact CE2-CD1 4.44Å; Y29-L125 HydrophobicContact CG-CD1 4.5Å; K122-L125 HydrophobicContact CB-CB 4.36Å; K122-L125 HydrophobicContact CB-CD1 4.1Å; K122-L125 HydrophobicContact CB-CG 4.16Å; K122-L125 HydrophobicContact CG-CD1 4.27Å; K122-L125 PolarHBondContact O-N 2.98Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 3.46Å; L125-I128 WeakPolarHBondContact O-CB 3.34Å; L125-I128 PolarHBondContact O-N 2.93Å; L125-I128 VanDerWaalsContact O-N 3.14Å; L125-T129 PolarHBondContact O-N 2.94Å; L125-T129 VanDerWaalsContact O-N 3.17Å; L125-T129 PolarHBondContact O-OG1 2.8Å; L125-W141 HydrophobicContact CB-CZ2 4.14Å; L125-W141 HydrophobicContact CD2-CH2 4.31Å; L125-W141 HydrophobicContact CD2-CZ2 3.96Å; L125-P167 HydrophobicContact CD1-CG 3.51Å; L125-F168 HydrophobicContact CD1-CE2 3.91Å; L125-F168 HydrophobicContact CD1-CZ 3.95Å
126V91.8Very high91.1Very high40 Ų4060.5 Ų60.524%0.24233%0.326CS..Hα-helixtrans-61.5-40.1178.51720000111N121 K122 I128 T129 D130N121-V126 HydrophobicContact CB-CG2 3.8Å; K122-V126 WeakPolarHBondContact O-CG2 3.46Å; K122-V126 PolarHBondContact O-N 2.9Å; V126-I128 PolarHBondContact O-N 2.83Å; V126-I128 VanDerWaalsContact O-N 3.12Å; V126-T129 PolarHBondContact O-N 2.81Å; V126-T129 VanDerWaalsContact O-N 3.1Å; V126-D130 HydrophobicContact CG1-CB 4.04Å; V126-D130 WeakPolarHBondContact O-CB 3.2Å; V126-D130 PolarHBondContact O-N 2.75Å
127K91.3Very high91.1Very high146 Ų14660.5 Ų60.564%0.63533%0.326SS*.Hα-helixtrans-54.4-32.6176.4-73.9173.6-175.9179.90113.5T123 L125T123-K127 WeakPolarHBondContact O-CG 3.39Å; T123-K127 PolarHBondContact O-N 2.56Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 3.46Å
128I90.5Very high91.3Very high13 Ų1359.8 Ų59.87%0.06732%0.319CS..Hα-helixtrans-78.4-47.2178.2-62.9166.2000110E18 F20 H47 I49 L125 V126 W141E18-I128 HydrophobicContact CG-CG1 4.37Å; E18-I128 HydrophobicContact CG-CG2 3.77Å; F20-I128 HydrophobicContact CD2-CD1 4.46Å; H47-I128 WeakPolarHBondContact ND1-CG2 2.88Å; I49-I128 HydrophobicContact CD1-CD1 4.24Å; L125-I128 WeakPolarHBondContact O-CB 3.34Å; L125-I128 PolarHBondContact O-N 2.93Å; L125-I128 VanDerWaalsContact O-N 3.14Å; V126-I128 PolarHBondContact O-N 2.83Å; V126-I128 VanDerWaalsContact O-N 3.12Å; I128-W141 HydrophobicContact CB-CH2 4.46Å; I128-W141 HydrophobicContact CB-CZ2 4.42Å; I128-W141 HydrophobicContact CD1-CH2 4.04Å; I128-W141 HydrophobicContact CD1-CZ2 4.46Å; I128-W141 HydrophobicContact CG2-CH2 4.06Å; I128-W141 HydrophobicContact CG2-CZ2 4.32Å
129T91.8Very high91.5Very high4 Ų452.9 Ų52.93%0.02529%0.288CS..Hα-helixtrans-86.8-26.2-167.959.20000114.8V61 Y63 L125 V126 K131 L132 R133 A139 W141V61-T129 HydrophobicContact CB-CG2 4.47Å; V61-T129 HydrophobicContact CG1-CG2 3.79Å; V61-T129 HydrophobicContact CG2-CG2 4Å; Y63-T129 PolarHBondContact OH-O 2.58Å; L125-T129 PolarHBondContact O-N 2.94Å; L125-T129 VanDerWaalsContact O-N 3.17Å; L125-T129 PolarHBondContact O-OG1 2.8Å; V126-T129 PolarHBondContact O-N 2.81Å; V126-T129 VanDerWaalsContact O-N 3.1Å; T129-K131 VanDerWaalsContact C-N 3.32Å; T129-K131 PolarHBondContact O-N 2.86Å; T129-L132 PolarHBondContact O-N 2.93Å; T129-R133 PolarHBondContact O-N 3.22Å; T129-A139 HydrophobicContact CG2-CB 3.91Å; T129-W141 HydrophobicContact CG2-CZ2 3.59Å
130D89.8Confident91.8Very high77 Ų7751.4 Ų51.441%0.41228%0.281SS..G310 helixtrans-65.9-32.8-169.3-16452.6000112.9V126 L132 R133V126-D130 HydrophobicContact CG1-CB 4.04Å; V126-D130 WeakPolarHBondContact O-CB 3.2Å; V126-D130 PolarHBondContact O-N 2.75Å; D130-L132 PolarHBondContact O-N 3.28Å; D130-L132 VanDerWaalsContact O-N 3.12Å; D130-R133 PolarHBondContact O-N 3.37Å; D130-R133 IonicContact OD1-CZ 2.82Å; D130-R133 VanDerWaalsContact OD1-CZ 3.22Å; D130-R133 IonicContact OD1-NE 3.47Å; D130-R133 PolarHBondContact OD1-NE 3.17Å; D130-R133 IonicContact OD1-NH2 3.62Å; D130-R133 PolarHBondContact OD1-NH2 3.43Å
131K88.9Confident91.9Very high158 Ų15851.5 Ų51.569%0.68728%0.281SS*.G310 helixtrans-58.8-27.3178-59.9175.9-171.4166.70113.7T129T129-K131 VanDerWaalsContact C-N 3.32Å; T129-K131 PolarHBondContact O-N 2.86Å
132L87.9Confident91.9Very high61 Ų6148.9 Ų48.932%0.31927%0.267SS..G310 helixtrans-113.10.9-173.7-61.7172.8000111.7H16 Y63 T129 D130 P134H16-L132 WeakPolarHBondContact NE2-CD1 3.4Å; Y63-L132 HydrophobicContact CE2-CB 4.35Å; Y63-L132 VanDerWaalsContact OH-CB 3.28Å; Y63-L132 WeakPolarHBondContact OH-CB 3.31Å; T129-L132 PolarHBondContact O-N 2.93Å; D130-L132 PolarHBondContact O-N 3.28Å; D130-L132 VanDerWaalsContact O-N 3.12Å; L132-P134 VanDerWaalsContact O-CD 3.3Å; L132-P134 WeakPolarHBondContact O-CD 3.47Å
133R91.8Very high91.9Very high99 Ų9948.5 Ų48.537%0.37427%0.268SS..PPolyproline II helixtrans-80.2120.2-170.2-17617167.8115.6-3.5111.1Y63 T129 D130 S137Y63-R133 HydrophobicContact CD1-CB 4.05Å; Y63-R133 HydrophobicContact CD1-CG 3.89Å; Y63-R133 HydrophobicContact CE1-CB 3.78Å; Y63-R133 HydrophobicContact CE1-CG 4.09Å; T129-R133 PolarHBondContact O-N 3.22Å; D130-R133 PolarHBondContact O-N 3.37Å; D130-R133 IonicContact OD1-CZ 2.82Å; D130-R133 VanDerWaalsContact OD1-CZ 3.22Å; D130-R133 IonicContact OD1-NE 3.47Å; D130-R133 PolarHBondContact OD1-NE 3.17Å; D130-R133 IonicContact OD1-NH2 3.62Å; D130-R133 PolarHBondContact OD1-NH2 3.43Å; R133-S137 WeakPolarHBondContact CD-O 3.35Å; R133-S137 PolarHBondContact NH1-O 3.15Å
134P91.6Very high91.7Very high38 Ų3844.8 Ų44.825%0.24724%0.243CC..PPolyproline II helixtrans-62.2150.1169.6-21.132.8000112.2M42 D43 Y63 L132 S137M42-P134 HydrophobicContact CB-CG 4.42Å; D43-P134 HydrophobicContact CB-CG 3.77Å; Y63-P134 HydrophobicContact CG-CG 4.44Å; L132-P134 VanDerWaalsContact O-CD 3.3Å; L132-P134 WeakPolarHBondContact O-CD 3.47Å; P134-S137 WeakPolarHBondContact CD-OG 3.39Å; P134-S137 WeakPolarHBondContact O-CB 3.49Å; P134-S137 PolarHBondContact O-N 3.3Å; P134-S137 PolarHBondContact O-OG 3.06Å
135A90.1Very high91.5Very high100 Ų10045.5 Ų45.583%0.82626%0.255SS*.THydrogen-bonded Turntrans-59.7138.3177.500000112.1S137A135-S137 VanDerWaalsContact C-N 3.27Å; A135-S137 PolarHBondContact O-N 2.66Å
136G89.3Confident91.1Very high45 Ų4546.6 Ų46.646%0.46426%0.26SS..THydrogen-bonded Turntrans68.623.6-179.300000114.2W138G136-W138 WeakPolarHBondContact O-CZ3 3.5Å
137S93.9Very high90.7Very high0 Ų045.3 Ų45.30%025%0.251CS..  trans-123.1157.9175.975.70000112.4I64 R133 P134 A135I64-S137 WeakPolarHBondContact O-CA 3.44Å; R133-S137 WeakPolarHBondContact CD-O 3.35Å; R133-S137 PolarHBondContact NH1-O 3.15Å; P134-S137 WeakPolarHBondContact CD-OG 3.39Å; P134-S137 WeakPolarHBondContact O-CB 3.49Å; P134-S137 PolarHBondContact O-N 3.3Å; P134-S137 PolarHBondContact O-OG 3.06Å; A135-S137 VanDerWaalsContact C-N 3.27Å; A135-S137 PolarHBondContact O-N 2.66Å
138W95.9Very high89.9Confident15 Ų1544.1 Ų44.16%0.05725%0.251CS..EExtended strand (participates in β ladder)trans-119.1143.5177.8-78.8-99000110Y63 I64 P66 E113 L116 S117 I120 G136 F140Y63-W138 WeakPolarHBondContact CA-O 3.48Å; I64-W138 PolarHBondContact N-O 3.36Å; I64-W138 PolarHBondContact O-N 3.04Å; P66-W138 HydrophobicContact CG-CD2 4.48Å; P66-W138 HydrophobicContact CG-CE3 3.57Å; P66-W138 HydrophobicContact CG-CH2 3.98Å; P66-W138 HydrophobicContact CG-CZ3 3.28Å; E113-W138 HydrophobicContact CB-CH2 3.71Å; E113-W138 HydrophobicContact CB-CZ2 3.76Å; E113-W138 HydrophobicContact CG-CH2 3.76Å; E113-W138 HydrophobicContact CG-CZ2 4.26Å; L116-W138 HydrophobicContact CD2-CB 4.5Å; L116-W138 HydrophobicContact CD2-CD2 3.71Å; L116-W138 HydrophobicContact CD2-CE3 4.27Å; L116-W138 HydrophobicContact CD2-CG 3.82Å; L116-W138 HydrophobicContact CD2-CZ2 4.41Å; L116-W138 HydrophobicContact CG-CD2 4.47Å; L116-W138 HydrophobicContact CG-CG 4.28Å; S117-W138 PolarHBondContact OG-NE1 3.14Å; I120-W138 HydrophobicContact CD1-CB 3.69Å; I120-W138 VanDerWaalsContact CD1-CD1 3.44Å; I120-W138 HydrophobicContact CD1-CG 3.87Å; G136-W138 WeakPolarHBondContact O-CZ3 3.5Å; W138-F140 HydrophobicContact CB-CD2 4.44Å; W138-F140 HydrophobicContact CB-CE2 3.7Å; W138-F140 HydrophobicContact CB-CZ 4.18Å; W138-F140 WeakPolarHBondContact O-CD2 3.37Å
139A96.3Very high89.3Confident9 Ų949.4 Ų49.47%0.07427%0.274CS..EExtended strand (participates in β ladder)trans-90.9119.9-17600000110.7V61 Y63 T129 P167V61-A139 HydrophobicContact CG1-CB 3.72Å; Y63-A139 HydrophobicContact CD1-CB 4.14Å; Y63-A139 HydrophobicContact CE1-CB 3.94Å; T129-A139 HydrophobicContact CG2-CB 3.91Å; A139-P167 WeakPolarHBondContact O-CB 3.33Å
140F96.1Very high88.5Confident0 Ų049.6 Ų49.60%028%0.275CS..EExtended strand (participates in β ladder)trans-117.7133176.2-66.5-81.7000110.9I35 L37 V61 L62 I64 L116 I120 W138 L160 T162 P167 I169I35-F140 HydrophobicContact CD1-CE1 3.89Å; I35-F140 HydrophobicContact CD1-CZ 4.05Å; L37-F140 HydrophobicContact CD1-CE2 4.05Å; L37-F140 HydrophobicContact CD1-CZ 3.75Å; V61-F140 CarbonylContact C-O 3.6Å; V61-F140 WeakPolarHBondContact CA-O 3.33Å; L62-F140 PolarHBondContact N-O 3.06Å; L62-F140 PolarHBondContact O-N 3Å; I64-F140 HydrophobicContact CB-CD2 4.08Å; I64-F140 HydrophobicContact CB-CE2 4.2Å; I64-F140 HydrophobicContact CD1-CD2 3.95Å; I64-F140 HydrophobicContact CG1-CD2 4.28Å; L116-F140 HydrophobicContact CD1-CZ 4.35Å; I120-F140 HydrophobicContact CD1-CD1 4.49Å; I120-F140 HydrophobicContact CD1-CE1 3.69Å; I120-F140 HydrophobicContact CD1-CE2 4.23Å; I120-F140 HydrophobicContact CD1-CZ 3.53Å; I120-F140 HydrophobicContact CG2-CE1 4.24Å; W138-F140 HydrophobicContact CB-CD2 4.44Å; W138-F140 HydrophobicContact CB-CE2 3.7Å; W138-F140 HydrophobicContact CB-CZ 4.18Å; W138-F140 WeakPolarHBondContact O-CD2 3.37Å; F140-L160 HydrophobicContact CB-CD2 4.44Å; F140-L160 HydrophobicContact CD1-CD1 4.1Å; F140-L160 HydrophobicContact CD1-CD2 4.27Å; F140-L160 HydrophobicContact CD2-CD2 3.97Å; F140-L160 HydrophobicContact CE1-CD1 4.02Å; F140-L160 HydrophobicContact CE2-CD2 4.29Å; F140-L160 HydrophobicContact CG-CD2 3.96Å; F140-L160 HydrophobicContact CZ-CD1 4.44Å; F140-T162 HydrophobicContact CD1-CG2 3.97Å; F140-T162 HydrophobicContact CE1-CG2 3.76Å; F140-P167 CarbonylContact C-O 3.34Å; F140-P167 VanDerWaalsContact CA-O 3.29Å; F140-P167 WeakPolarHBondContact CA-O 3.49Å; F140-I169 HydrophobicContact CB-CD1 3.72Å; F140-I169 HydrophobicContact CB-CG1 3.79Å
141W95Very high88.1Confident2 Ų253.4 Ų53.41%0.00829%0.29CS..EExtended strand (participates in β ladder)trans-96.1125.8-173.5-68.164.6000110.3W24 I49 F59 V61 L125 I128 T129 P167 F168 I169W24-W141 HydrophobicContact CH2-CE3 4.12Å; W24-W141 HydrophobicContact CH2-CH2 4.17Å; W24-W141 AromaticContact CH2-CZ3 3.75Å; W24-W141 HydrophobicContact CH2-CZ3 3.75Å; W24-W141 HydrophobicContact CZ2-CE3 4.4Å; W24-W141 HydrophobicContact CZ2-CZ3 4.3Å; I49-W141 HydrophobicContact CD1-CH2 3.93Å; I49-W141 HydrophobicContact CD1-CZ3 3.91Å; I49-W141 HydrophobicContact CG1-CH2 4.38Å; I49-W141 HydrophobicContact CG1-CZ3 3.92Å; F59-W141 HydrophobicContact CB-CE3 3.72Å; F59-W141 HydrophobicContact CB-CZ3 4.14Å; F59-W141 HydrophobicContact CD1-CB 4.36Å; F59-W141 HydrophobicContact CD1-CE3 4.12Å; F59-W141 HydrophobicContact CD2-CE3 4.08Å; F59-W141 HydrophobicContact CD2-CZ3 4.22Å; F59-W141 AromaticContact CG-CE3 3.71Å; F59-W141 HydrophobicContact CG-CE3 3.71Å; F59-W141 HydrophobicContact CG-CZ3 4.22Å; V61-W141 HydrophobicContact CG2-CD2 3.88Å; V61-W141 HydrophobicContact CG2-CE3 4.14Å; V61-W141 HydrophobicContact CG2-CG 4.27Å; V61-W141 HydrophobicContact CG2-CZ2 4.29Å; V61-W141 HydrophobicContact CG2-CZ3 4.45Å; L125-W141 HydrophobicContact CB-CZ2 4.14Å; L125-W141 HydrophobicContact CD2-CH2 4.31Å; L125-W141 HydrophobicContact CD2-CZ2 3.96Å; I128-W141 HydrophobicContact CB-CH2 4.46Å; I128-W141 HydrophobicContact CB-CZ2 4.42Å; I128-W141 HydrophobicContact CD1-CH2 4.04Å; I128-W141 HydrophobicContact CD1-CZ2 4.46Å; I128-W141 HydrophobicContact CG2-CH2 4.06Å; I128-W141 HydrophobicContact CG2-CZ2 4.32Å; T129-W141 HydrophobicContact CG2-CZ2 3.59Å; W141-P167 PolarHBondContact N-O 2.74Å; W141-F168 HydrophobicContact CB-CD1 3.53Å; W141-F168 HydrophobicContact CB-CE1 3.71Å; W141-F168 HydrophobicContact CB-CG 4.38Å; W141-F168 HydrophobicContact CD2-CE1 4.28Å; W141-F168 HydrophobicContact CE3-CE1 4.36Å; W141-F168 HydrophobicContact CG-CD1 4.29Å; W141-F168 HydrophobicContact CG-CE1 4.04Å; W141-I169 PolarHBondContact O-N 3Å
142Y93.1Very high87.8Confident13 Ų1346.2 Ų46.25%0.05126%0.26CS..EExtended strand (participates in β ladder)trans-125.8127.1179-159.1-134.8000110.3F59 Y60 E146 M147 T150 I169 L172F59-Y142 CarbonylContact C-O 3.59Å; F59-Y142 WeakPolarHBondContact CA-O 3.04Å; Y60-Y142 PolarHBondContact N-O 3.48Å; Y60-Y142 PolarHBondContact O-N 2.88Å; Y142-E146 HydrophobicContact CD1-CB 4.45Å; Y142-E146 HydrophobicContact CD2-CB 4.42Å; Y142-E146 VanDerWaalsContact CE1-C 3.45Å; Y142-E146 HydrophobicContact CE1-CB 3.83Å; Y142-E146 HydrophobicContact CE2-CB 3.8Å; Y142-E146 VanDerWaalsContact CZ-CB 3.48Å; Y142-M147 HydrophobicContact CD1-CB 3.97Å; Y142-M147 HydrophobicContact CD1-SD 3.82Å; Y142-M147 HydrophobicContact CE1-CB 4.29Å; Y142-M147 HydrophobicContact CE1-SD 4.24Å; Y142-T150 PolarHBondContact OH-OG1 3.32Å; Y142-T150 VanDerWaalsContact OH-OG1 3.09Å; Y142-I169 HydrophobicContact CD2-CB 3.78Å; Y142-I169 HydrophobicContact CD2-CD1 4.29Å; Y142-I169 HydrophobicContact CD2-CG2 3.74Å; Y142-I169 HydrophobicContact CE2-CB 4.39Å; Y142-I169 HydrophobicContact CE2-CG2 3.87Å; Y142-I169 HydrophobicContact CG-CD1 4.43Å; Y142-L172 HydrophobicContact CD1-CD2 4.35Å; Y142-L172 HydrophobicContact CE1-CD2 4.11Å; Y142-L172 HydrophobicContact CE2-CB 4.39Å
143P90.9Very high87.6Confident31 Ų3147.1 Ų47.120%0.20126%0.262CS..EExtended strand (participates in β ladder)trans-59.2139.7178.1-23.133.5000112.1F59 S145 E146 M147F59-P143 HydrophobicContact CE1-CB 4.48Å; F59-P143 HydrophobicContact CE1-CG 4.15Å; P143-S145 PolarHBondContact O-N 2.82Å; P143-E146 HydrophobicContact CB-CG 4.27Å; P143-E146 HydrophobicContact CG-CG 4.4Å; P143-E146 PolarHBondContact O-N 2.83Å; P143-M147 PolarHBondContact O-N 2.97Å
144E88Confident87.5Confident31 Ų3146.1 Ų46.115%0.14527%0.267CS..Hα-helixtrans-54.9-40.6177172.8166.1-88.200112.1R46 R58 Y60 E146 M147 D148R46-E144 IonicContact CZ-OE1 2.74Å; R46-E144 IonicContact NE-OE1 3.9Å; R46-E144 IonicContact NH2-OE1 2.86Å; R46-E144 PolarHBondContact NH2-OE1 2.97Å; R58-E144 HydrophobicContact CB-CB 3.94Å; R58-E144 WeakPolarHBondContact CD-OE2 3.46Å; R58-E144 IonicContact CZ-OE2 2.8Å; R58-E144 IonicContact NE-OE2 2.86Å; R58-E144 IonicContact NH1-OE2 2.58Å; R58-E144 PolarHBondContact NH1-OE2 2.82Å; R58-E144 VanDerWaalsContact NH1-OE2 3.07Å; R58-E144 PolarHBondContact O-N 3.47Å; Y60-E144 HydrophobicContact CD2-CB 4.15Å; Y60-E144 HydrophobicContact CD2-CG 4.49Å; Y60-E144 HydrophobicContact CE2-CB 4.1Å; Y60-E144 HydrophobicContact CE2-CG 3.94Å; E144-E146 PolarHBondContact O-N 2.65Å; E144-E146 VanDerWaalsContact O-N 3.16Å; E144-M147 WeakPolarHBondContact O-CB 3.43Å; E144-M147 PolarHBondContact O-N 2.85Å; E144-M147 VanDerWaalsContact O-N 3.1Å; E144-D148 PolarHBondContact O-N 3.41Å
145S85Confident87.3Confident71 Ų7146 Ų4650%0.49727%0.274SS..Hα-helixtrans-61-24.4177.752.90000115P143 K149P143-S145 PolarHBondContact O-N 2.82Å; S145-K149 WeakPolarHBondContact O-CE 3.48Å
146E83.5Confident87.2Confident26 Ų2643.5 Ų43.512%0.12125%0.245CC..Hα-helixtrans-93.6-29.7176.7-62.6-58.8116.400111.4Y142 P143 E144 D148 K149 T150Y142-E146 HydrophobicContact CD1-CB 4.45Å; Y142-E146 HydrophobicContact CD2-CB 4.42Å; Y142-E146 VanDerWaalsContact CE1-C 3.45Å; Y142-E146 HydrophobicContact CE1-CB 3.83Å; Y142-E146 HydrophobicContact CE2-CB 3.8Å; Y142-E146 VanDerWaalsContact CZ-CB 3.48Å; P143-E146 HydrophobicContact CB-CG 4.27Å; P143-E146 HydrophobicContact CG-CG 4.4Å; P143-E146 PolarHBondContact O-N 2.83Å; E144-E146 PolarHBondContact O-N 2.65Å; E144-E146 VanDerWaalsContact O-N 3.16Å; E146-D148 VanDerWaalsContact C-N 3.33Å; E146-K149 PolarHBondContact O-N 3.1Å; E146-K149 IonicContact OE1-NZ 3.91Å; E146-K149 PolarHBondContact OE1-NZ 3.08Å; E146-K149 IonicContact OE2-NZ 3.82Å; E146-T150 PolarHBondContact O-N 2.84Å; E146-T150 PolarHBondContact O-OG1 2.93Å
147M83.4Confident87.2Confident12 Ų1245.6 Ų45.66%0.05924%0.242CC..Hα-helixtrans-63-39.3172.5-168.270-167.300111.8L10 Y60 L62 Y142 P143 E144 K149 T150 L152L10-M147 HydrophobicContact CD1-CE 3.12Å; Y60-M147 HydrophobicContact CD1-CE 4.33Å; Y60-M147 HydrophobicContact CD1-CG 3.8Å; Y60-M147 HydrophobicContact CD1-SD 4.26Å; Y60-M147 HydrophobicContact CD2-CB 3.73Å; Y60-M147 HydrophobicContact CD2-CG 3.75Å; Y60-M147 HydrophobicContact CE1-CG 3.96Å; Y60-M147 HydrophobicContact CE2-CB 4.05Å; Y60-M147 HydrophobicContact CE2-CG 3.94Å; Y60-M147 HydrophobicContact CG-CB 4.06Å; Y60-M147 HydrophobicContact CG-CG 3.68Å; Y60-M147 HydrophobicContact CG-SD 4.26Å; L62-M147 HydrophobicContact CD2-SD 4.43Å; Y142-M147 HydrophobicContact CD1-CB 3.97Å; Y142-M147 HydrophobicContact CD1-SD 3.82Å; Y142-M147 HydrophobicContact CE1-CB 4.29Å; Y142-M147 HydrophobicContact CE1-SD 4.24Å; P143-M147 PolarHBondContact O-N 2.97Å; E144-M147 WeakPolarHBondContact O-CB 3.43Å; E144-M147 PolarHBondContact O-N 2.85Å; E144-M147 VanDerWaalsContact O-N 3.1Å; M147-K149 PolarHBondContact O-N 2.92Å; M147-K149 VanDerWaalsContact O-N 3.1Å; M147-T150 CarbonylContact O-C 3.51Å; M147-T150 PolarHBondContact O-N 3.38Å; M147-L152 HydrophobicContact CE-CB 4.02Å; M147-L152 HydrophobicContact CE-CD1 3.84Å; M147-L152 HydrophobicContact CE-CG 4.24Å; M147-L152 HydrophobicContact SD-CD1 3.96Å
148D75.2Confident87.1Confident121 Ų12145.7 Ų45.765%0.64724%0.243SC*.THydrogen-bonded Turntrans-61.3-23179.7-68.6-20.6000113.4E144 E146E144-D148 PolarHBondContact O-N 3.41Å; E146-D148 VanDerWaalsContact C-N 3.33Å
149K77.6Confident86.8Confident124 Ų12447 Ų4754%0.53925%0.248SC..THydrogen-bonded Turntrans-93-9.5176.9-55.3170.5-166.8160.20112.6S145 E146 M147S145-K149 WeakPolarHBondContact O-CE 3.48Å; E146-K149 PolarHBondContact O-N 3.1Å; E146-K149 IonicContact OE1-NZ 3.91Å; E146-K149 PolarHBondContact OE1-NZ 3.08Å; E146-K149 IonicContact OE2-NZ 3.82Å; M147-K149 PolarHBondContact O-N 2.92Å; M147-K149 VanDerWaalsContact O-N 3.1Å
150T75.9Confident86.6Confident9 Ų946.6 Ų46.66%0.05524%0.244CC..  trans-118.9101.6-171.6-460000108.7Y142 E146 M147 L152 L172 C183Y142-T150 PolarHBondContact OH-OG1 3.32Å; Y142-T150 VanDerWaalsContact OH-OG1 3.09Å; E146-T150 PolarHBondContact O-N 2.84Å; E146-T150 PolarHBondContact O-OG1 2.93Å; M147-T150 CarbonylContact O-C 3.51Å; M147-T150 PolarHBondContact O-N 3.38Å; T150-L152 HydrophobicContact CG2-CD1 4.27Å; T150-L152 HydrophobicContact CG2-CD2 4.12Å; T150-L152 HydrophobicContact CG2-CG 3.91Å; T150-L152 PolarHBondContact O-N 3.36Å; T150-L172 HydrophobicContact CG2-CD2 4.39Å; T150-C183 HydrophobicContact CG2-CB 3.95Å
151E80.5Confident86.5Confident156 Ų15648.5 Ų48.573%0.72925%0.253SS*.  trans-64.6132.9167.6-63.5177.5166.800107.8K174E151-K174 WeakPolarHBondContact O-CE 3.4Å; E151-K174 PolarHBondContact O-NZ 2.82Å
152L82.8Confident86.4Confident7 Ų748.4 Ų48.44%0.03725%0.252CS..  trans-143.4150.7172.3-69172.1000108.3L10 L41 L62 M147 T150 V158 L172 K174L10-L152 HydrophobicContact CD1-CB 4.25Å; L10-L152 WeakPolarHBondContact CG-O 3.49Å; L41-L152 HydrophobicContact CD2-CB 4.06Å; L41-L152 HydrophobicContact CD2-CD1 4.43Å; L62-L152 HydrophobicContact CD1-CD1 4.01Å; L62-L152 HydrophobicContact CD2-CD1 4.43Å; M147-L152 HydrophobicContact CE-CB 4.02Å; M147-L152 HydrophobicContact CE-CD1 3.84Å; M147-L152 HydrophobicContact CE-CG 4.24Å; M147-L152 HydrophobicContact SD-CD1 3.96Å; T150-L152 HydrophobicContact CG2-CD1 4.27Å; T150-L152 HydrophobicContact CG2-CD2 4.12Å; T150-L152 HydrophobicContact CG2-CG 3.91Å; T150-L152 PolarHBondContact O-N 3.36Å; L152-V158 HydrophobicContact CD2-CG1 4.08Å; L152-L172 HydrophobicContact CD1-CD2 3.48Å; L152-L172 VanDerWaalsContact CD1-CD2 3.48Å; L152-L172 HydrophobicContact CD2-CD2 4.39Å; L152-L172 HydrophobicContact CG-CD2 4.47Å; L152-K174 HydrophobicContact CD2-CG 4.08Å
153E84.6Confident86.3Confident80 Ų8051.4 Ų51.437%0.37426%0.263SS..  trans-128.6141.7173.7-54.8173.7160.700109.9G155 Q156E153-G155 PolarHBondContact O-N 2.9Å; E153-Q156 HydrophobicContact CB-CG 3.95Å; E153-Q156 WeakPolarHBondContact O-CB 2.83Å; E153-Q156 WeakPolarHBondContact O-CG 3.05Å; E153-Q156 PolarHBondContact O-N 2.93Å; E153-Q156 VanDerWaalsContact O-N 3.16Å; E153-Q156 PolarHBondContact OE2-NE2 2.92Å
154T88.1Confident86.3Confident78 Ų7850.4 Ų50.448%0.47926%0.259SS..THydrogen-bonded Turntrans-59.2133.3172.350.20000109.7L10L10-T154 HydrophobicContact CD2-CG2 3.83Å
155G87.2Confident86.5Confident37 Ų3750.4 Ų50.438%0.38126%0.26SS..THydrogen-bonded Turntrans96.2-7.7-176.700000114.4K40 L41 E153K40-G155 VanDerWaalsContact CE-CA 3.49Å; K40-G155 WeakPolarHBondContact CE-O 3.3Å; L41-G155 WeakPolarHBondContact O-CA 3.37Å; L41-G155 PolarHBondContact O-N 3.07Å; E153-G155 PolarHBondContact O-N 2.9Å
156Q88.6Confident86.9Confident47 Ų4747 Ų4722%0.2224%0.236CC..  trans-75.6148.5175.4-69.5179.5-19.500112L41 E153L41-Q156 PolarHBondContact N-O 2.81Å; E153-Q156 HydrophobicContact CB-CG 3.95Å; E153-Q156 WeakPolarHBondContact O-CB 2.83Å; E153-Q156 WeakPolarHBondContact O-CG 3.05Å; E153-Q156 PolarHBondContact O-N 2.93Å; E153-Q156 VanDerWaalsContact O-N 3.16Å; E153-Q156 PolarHBondContact OE2-NE2 2.92Å
157E90.4Very high87.4Confident89 Ų8946 Ų4642%0.41623%0.232SC..EExtended strand (participates in β ladder)trans-78.2130167.7-69.6-65142.600109.3G39 K40 V175G39-E157 VanDerWaalsContact C-OE2 3.3Å; K40-E157 WeakPolarHBondContact CB-OE1 3.49Å; E157-V175 HydrophobicContact CB-CB 4.01Å; E157-V175 PolarHBondContact O-N 3.37Å
158V90.6Very high88Confident1 Ų145.7 Ų45.71%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-127.6146.7-178.1-62.70000110.2E38 G39 L41 I64 L152 L172 A173E38-V158 WeakPolarHBondContact CA-O 3.28Å; G39-V158 PolarHBondContact N-O 3.3Å; G39-V158 WeakPolarHBondContact O-CG2 3.44Å; G39-V158 PolarHBondContact O-N 2.88Å; L41-V158 HydrophobicContact CB-CG1 4.37Å; I64-V158 HydrophobicContact CD1-CG2 3.78Å; I64-V158 HydrophobicContact CG1-CG2 4.25Å; I64-V158 HydrophobicContact CG2-CG2 4.27Å; L152-V158 HydrophobicContact CD2-CG1 4.08Å; V158-L172 HydrophobicContact CB-CD1 4.06Å; V158-L172 HydrophobicContact CG2-CD1 4.45Å; V158-A173 CarbonylContact C-O 3.54Å; V158-A173 WeakPolarHBondContact CA-O 3.37Å
159R90.8Very high88.8Confident43 Ų4340.1 Ų40.116%0.16220%0.2CC..EExtended strand (participates in β ladder)trans-114.5123.9169.3-176.2173.9-67.1-173.4-0.6108.3L36 L37 E38 L172 A173 V175L36-R159 HydrophobicContact CD1-CG 3.85Å; L37-R159 CarbonylContact O-C 3.57Å; L37-R159 WeakPolarHBondContact O-CA 3.09Å; E38-R159 HydrophobicContact CG-CB 3.99Å; E38-R159 HydrophobicContact CG-CG 3.76Å; E38-R159 VanDerWaalsContact CG-NE 3.29Å; E38-R159 IonicContact OE1-CZ 3.64Å; E38-R159 IonicContact OE1-NE 3.71Å; E38-R159 PolarHBondContact OE1-NE 2.92Å; E38-R159 IonicContact OE1-NH1 3.14Å; E38-R159 IonicContact OE1-NH2 2.74Å; E38-R159 PolarHBondContact OE1-NH2 3.17Å; E38-R159 IonicContact OE2-CZ 2.84Å; E38-R159 IonicContact OE2-NE 2.75Å; E38-R159 IonicContact OE2-NH2 2.86Å; E38-R159 PolarHBondContact OE2-NH2 2.77Å; R159-L172 CarbonylContact O-C 3.49Å; R159-A173 PolarHBondContact N-O 3.09Å; R159-A173 PolarHBondContact O-N 3.4Å; R159-V175 HydrophobicContact CB-CG2 3.84Å
160L92.1Very high89.4Confident1 Ų136 Ų361%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-126.4152.517869.386.1000112.5L36 L37 I64 F140 T162 I169 S171 L172L36-L160 WeakPolarHBondContact CA-O 3.41Å; L37-L160 HydrophobicContact CB-CD1 4Å; L37-L160 HydrophobicContact CB-CG 4.12Å; L37-L160 HydrophobicContact CD2-CD2 4.31Å; L37-L160 HydrophobicContact CD2-CG 4.36Å; L37-L160 PolarHBondContact N-O 2.73Å; L37-L160 PolarHBondContact O-N 3.35Å; I64-L160 HydrophobicContact CD1-CD2 3.19Å; F140-L160 HydrophobicContact CB-CD2 4.44Å; F140-L160 HydrophobicContact CD1-CD1 4.1Å; F140-L160 HydrophobicContact CD1-CD2 4.27Å; F140-L160 HydrophobicContact CD2-CD2 3.97Å; F140-L160 HydrophobicContact CE1-CD1 4.02Å; F140-L160 HydrophobicContact CE2-CD2 4.29Å; F140-L160 HydrophobicContact CG-CD2 3.96Å; F140-L160 HydrophobicContact CZ-CD1 4.44Å; L160-T162 HydrophobicContact CD1-CG2 3.84Å; L160-I169 HydrophobicContact CD2-CD1 4.3Å; L160-S171 CarbonylContact C-O 3.54Å; L160-S171 WeakPolarHBondContact CA-O 3.47Å; L160-L172 HydrophobicContact CB-CD1 3.83Å
161K92.9Very high90Very high40 Ų4037.4 Ų37.417%0.17419%0.193CC..EExtended strand (participates in β ladder)trans-115.9139.3166-65.6-177.7178.7-162.70108.4I35 L36 E80 F170 S171I35-K161 WeakPolarHBondContact O-CA 3.35Å; L36-K161 HydrophobicContact CD1-CD 4.48Å; L36-K161 HydrophobicContact CD1-CG 3.64Å; E80-K161 WeakPolarHBondContact OE1-CE 3.35Å; E80-K161 IonicContact OE1-NZ 3.65Å; E80-K161 PolarHBondContact OE1-NZ 2.8Å; E80-K161 IonicContact OE2-NZ 2.91Å; E80-K161 PolarHBondContact OE2-NZ 3.38Å; E80-K161 VanDerWaalsContact OE2-NZ 3.14Å; K161-F170 HydrophobicContact CB-CB 4.37Å; K161-F170 HydrophobicContact CB-CD1 4.3Å; K161-F170 WeakPolarHBondContact O-CA 3.42Å; K161-F170 WeakPolarHBondContact O-CB 3.01Å; K161-F170 PolarHBondContact O-N 2.88Å; K161-S171 PolarHBondContact N-O 3.27Å; K161-S171 PolarHBondContact O-N 2.93Å
162T93.3Very high90.3Very high0 Ų030.1 Ų30.10%016%0.159CC..EExtended strand (participates in β ladder)trans-94.9158173.961.70000112.3I35 R72 F140 L160 G164 S166 F168I35-T162 HydrophobicContact CD1-CG2 3.87Å; I35-T162 HydrophobicContact CG1-CG2 3.42Å; I35-T162 VanDerWaalsContact CG1-CG2 3.42Å; I35-T162 WeakPolarHBondContact CG1-OG1 2.61Å; I35-T162 PolarHBondContact N-OG1 2.9Å; I35-T162 PolarHBondContact O-N 3.35Å; R72-T162 PolarHBondContact NH1-O 3.47Å; F140-T162 HydrophobicContact CD1-CG2 3.97Å; F140-T162 HydrophobicContact CE1-CG2 3.76Å; L160-T162 HydrophobicContact CD1-CG2 3.84Å; T162-G164 WeakPolarHBondContact CB-O 3.35Å; T162-G164 PolarHBondContact O-N 3.37Å; T162-G164 PolarHBondContact OG1-O 3.45Å; T162-S166 VanDerWaalsContact CB-O 3.3Å; T162-S166 WeakPolarHBondContact CB-O 3.43Å; T162-S166 WeakPolarHBondContact CG2-O 3.15Å; T162-F168 CarbonylContact C-O 3.57Å; T162-F168 VanDerWaalsContact CA-O 3.28Å; T162-F168 WeakPolarHBondContact CA-O 3.41Å
163R90.8Very high90.5Very high75 Ų7530.2 Ų30.228%0.28316%0.161SC..SBendtrans-80.596.9168.7-62.4-175.2-176.3-165.8-4.1109.5E30 S166 F168 F170E30-R163 HydrophobicContact CG-CB 3.84Å; E30-R163 WeakPolarHBondContact OE1-CD 3.36Å; E30-R163 IonicContact OE1-NH1 3.52Å; R163-S166 VanDerWaalsContact O-CB 3.28Å; R163-S166 WeakPolarHBondContact O-CB 3.25Å; R163-S166 PolarHBondContact O-OG 3.06Å; R163-F168 PolarHBondContact N-O 3.32Å; R163-F170 HydrophobicContact CG-CB 3.64Å; R163-F170 HydrophobicContact CG-CD2 4.04Å; R163-F170 HydrophobicContact CG-CG 4.33Å
164G90.3Very high90.6Very high11 Ų1128.4 Ų28.411%0.11315%0.152CC..BIsolated β-bridgetrans55.2-162.5-169.700000112.3S31 G32 G34 T162 S166S31-G164 CarbonylContact O-C 3.57Å; G32-G164 WeakPolarHBondContact O-CA 3.31Å; G34-G164 WeakPolarHBondContact CA-O 3.27Å; T162-G164 WeakPolarHBondContact CB-O 3.35Å; T162-G164 PolarHBondContact O-N 3.37Å; T162-G164 PolarHBondContact OG1-O 3.45Å; G164-S166 PolarHBondContact O-N 3.32Å
165N92.8Very high90.2Very high30 Ų3026.2 Ų26.216%0.1614%0.138CC..SBendtrans-75.762.7173.5-56.8-10.2000109.3S31 G34 M119 K122S31-N165 WeakPolarHBondContact O-CA 3.4Å; S31-N165 WeakPolarHBondContact O-CB 3.46Å; S31-N165 PolarHBondContact O-N 2.9Å; G34-N165 VanDerWaalsContact CA-OD1 3.29Å; G34-N165 WeakPolarHBondContact CA-OD1 3.29Å; G34-N165 PolarHBondContact N-OD1 3.37Å; M119-N165 HydrophobicContact CB-CB 4.1Å; M119-N165 HydrophobicContact CG-CB 4.42Å; M119-N165 CarbonylContact O-C 3.57Å; K122-N165 WeakPolarHBondContact CE-O 3.37Å; K122-N165 PolarHBondContact NZ-O 3.43Å
166S93.6Very high89.1Confident0 Ų029.5 Ų29.50%015%0.147CC..SBendtrans-136.1159.9177.185.20000109.3Y29 T162 R163 G164 F168Y29-S166 WeakPolarHBondContact O-CB 3.44Å; T162-S166 VanDerWaalsContact CB-O 3.3Å; T162-S166 WeakPolarHBondContact CB-O 3.43Å; T162-S166 WeakPolarHBondContact CG2-O 3.15Å; R163-S166 VanDerWaalsContact O-CB 3.28Å; R163-S166 WeakPolarHBondContact O-CB 3.25Å; R163-S166 PolarHBondContact O-OG 3.06Å; G164-S166 PolarHBondContact O-N 3.32Å; S166-F168 PolarHBondContact O-N 2.86Å; S166-F168 PolarHBondContact OG-N 2.82Å
167P94.3Very high87.4Confident4 Ų432.8 Ų32.83%0.02618%0.175CC..SBendtrans-79.51.5176.334.6-35000112.4I120 L125 A139 F140 W141I120-P167 HydrophobicContact CB-CB 4.3Å; I120-P167 WeakPolarHBondContact O-CD 3.38Å; L125-P167 HydrophobicContact CD1-CG 3.51Å; A139-P167 WeakPolarHBondContact O-CB 3.33Å; F140-P167 CarbonylContact C-O 3.34Å; F140-P167 VanDerWaalsContact CA-O 3.29Å; F140-P167 WeakPolarHBondContact CA-O 3.49Å; W141-P167 PolarHBondContact N-O 2.74Å
168F94.9Very high85.5Confident7 Ų731.9 Ų31.93%0.03119%0.19CC..BIsolated β-bridgetrans-80.4128.7-179.7-63.8-78000111.1W24 P26 Y29 F59 L125 W141 T162 R163 S166W24-F168 HydrophobicContact CH2-CE1 4.37Å; W24-F168 HydrophobicContact CH2-CZ 4.09Å; W24-F168 AromaticContact CZ2-CE1 3.96Å; W24-F168 HydrophobicContact CZ2-CE1 3.96Å; W24-F168 AromaticContact CZ2-CZ 3.97Å; W24-F168 HydrophobicContact CZ2-CZ 3.97Å; P26-F168 HydrophobicContact CB-CD1 4.16Å; P26-F168 HydrophobicContact CB-CD2 4.17Å; P26-F168 HydrophobicContact CB-CE1 3.9Å; P26-F168 HydrophobicContact CB-CE2 3.92Å; P26-F168 HydrophobicContact CB-CG 4.29Å; P26-F168 HydrophobicContact CB-CZ 3.78Å; P26-F168 HydrophobicContact CG-CE1 4.22Å; P26-F168 HydrophobicContact CG-CZ 4.26Å; Y29-F168 AromaticContact CD2-CE2 3.65Å; Y29-F168 HydrophobicContact CD2-CE2 3.65Å; Y29-F168 HydrophobicContact CD2-CZ 4.25Å; Y29-F168 HydrophobicContact CE2-CE2 4.46Å; Y29-F168 HydrophobicContact CG-CE2 4.19Å; F59-F168 HydrophobicContact CE1-CD1 4.31Å; F59-F168 HydrophobicContact CE1-CE1 4.15Å; F59-F168 HydrophobicContact CZ-CE1 4.41Å; L125-F168 HydrophobicContact CD1-CE2 3.91Å; L125-F168 HydrophobicContact CD1-CZ 3.95Å; W141-F168 HydrophobicContact CB-CD1 3.53Å; W141-F168 HydrophobicContact CB-CE1 3.71Å; W141-F168 HydrophobicContact CB-CG 4.38Å; W141-F168 HydrophobicContact CD2-CE1 4.28Å; W141-F168 HydrophobicContact CE3-CE1 4.36Å; W141-F168 HydrophobicContact CG-CD1 4.29Å; W141-F168 HydrophobicContact CG-CE1 4.04Å; T162-F168 CarbonylContact C-O 3.57Å; T162-F168 VanDerWaalsContact CA-O 3.28Å; T162-F168 WeakPolarHBondContact CA-O 3.41Å; R163-F168 PolarHBondContact N-O 3.32Å; S166-F168 PolarHBondContact O-N 2.86Å; S166-F168 PolarHBondContact OG-N 2.82Å
169I93.6Very high83.4Confident3 Ų335.9 Ų35.92%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-75.9129.2-179.8-64.9177.1000109.6L62 F140 W141 Y142 L160 S171 L172L62-I169 HydrophobicContact CD1-CD1 3.72Å; L62-I169 HydrophobicContact CG-CD1 4.4Å; F140-I169 HydrophobicContact CB-CD1 3.72Å; F140-I169 HydrophobicContact CB-CG1 3.79Å; W141-I169 PolarHBondContact O-N 3Å; Y142-I169 HydrophobicContact CD2-CB 3.78Å; Y142-I169 HydrophobicContact CD2-CD1 4.29Å; Y142-I169 HydrophobicContact CD2-CG2 3.74Å; Y142-I169 HydrophobicContact CE2-CB 4.39Å; Y142-I169 HydrophobicContact CE2-CG2 3.87Å; Y142-I169 HydrophobicContact CG-CD1 4.43Å; L160-I169 HydrophobicContact CD2-CD1 4.3Å; I169-S171 WeakPolarHBondContact CG2-O 3.4Å; I169-L172 HydrophobicContact CG2-CB 4.06Å
170F89.4Confident81.5Confident37 Ų3735.2 Ų35.216%0.16222%0.215CC..EExtended strand (participates in β ladder)trans-87.5-47.4169.6177.8-104.7000111.4K161 R163 F185 A191K161-F170 HydrophobicContact CB-CB 4.37Å; K161-F170 HydrophobicContact CB-CD1 4.3Å; K161-F170 WeakPolarHBondContact O-CA 3.42Å; K161-F170 WeakPolarHBondContact O-CB 3.01Å; K161-F170 PolarHBondContact O-N 2.88Å; R163-F170 HydrophobicContact CG-CB 3.64Å; R163-F170 HydrophobicContact CG-CD2 4.04Å; R163-F170 HydrophobicContact CG-CG 4.33Å; F170-F185 HydrophobicContact CE2-CE1 4.46Å; F170-A191 HydrophobicContact CE1-CB 3.6Å; F170-A191 HydrophobicContact CZ-CB 3.57Å
171S87.5Confident79.4Confident40 Ų4038.9 Ų38.928%0.2824%0.237SC..EExtended strand (participates in β ladder)trans-143.4143.6-178.6-179.70000109.3L160 K161 I169L160-S171 CarbonylContact C-O 3.54Å; L160-S171 WeakPolarHBondContact CA-O 3.47Å; K161-S171 PolarHBondContact N-O 3.27Å; K161-S171 PolarHBondContact O-N 2.93Å; I169-S171 WeakPolarHBondContact CG2-O 3.4Å
172L88.3Confident77.1Confident2 Ų241.5 Ų41.51%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-135.4135.8178.2-174.861.9000109.7L62 Y142 T150 L152 V158 R159 L160 I169L62-L172 HydrophobicContact CD1-CD2 3.58Å; Y142-L172 HydrophobicContact CD1-CD2 4.35Å; Y142-L172 HydrophobicContact CE1-CD2 4.11Å; Y142-L172 HydrophobicContact CE2-CB 4.39Å; T150-L172 HydrophobicContact CG2-CD2 4.39Å; L152-L172 HydrophobicContact CD1-CD2 3.48Å; L152-L172 VanDerWaalsContact CD1-CD2 3.48Å; L152-L172 HydrophobicContact CD2-CD2 4.39Å; L152-L172 HydrophobicContact CG-CD2 4.47Å; V158-L172 HydrophobicContact CB-CD1 4.06Å; V158-L172 HydrophobicContact CG2-CD1 4.45Å; R159-L172 CarbonylContact O-C 3.49Å; L160-L172 HydrophobicContact CB-CD1 3.83Å; I169-L172 HydrophobicContact CG2-CB 4.06Å
173A86.2Confident74.6Confident10 Ų1042.9 Ų42.98%0.08326%0.259CS..EExtended strand (participates in β ladder)trans-141.3149.7177.400000110.3V158 R159 V180V158-A173 CarbonylContact C-O 3.54Å; V158-A173 WeakPolarHBondContact CA-O 3.37Å; R159-A173 PolarHBondContact N-O 3.09Å; R159-A173 PolarHBondContact O-N 3.4Å; A173-V180 HydrophobicContact CB-CG1 3.58Å
174K86.5Confident72.3Confident41 Ų4144.4 Ų44.418%0.17827%0.272CS..EExtended strand (participates in β ladder)trans-82145.5170.6-64.3-179.6-176.6172.30109.7E151 L152 V180 T181E151-K174 WeakPolarHBondContact O-CE 3.4Å; E151-K174 PolarHBondContact O-NZ 2.82Å; L152-K174 HydrophobicContact CD2-CG 4.08Å; K174-V180 WeakPolarHBondContact O-CA 3.47Å; K174-V180 WeakPolarHBondContact O-CG1 3.48Å; K174-T181 PolarHBondContact N-O 2.99Å; K174-T181 PolarHBondContact O-N 3.16Å
175V80.2Confident69.7Low33 Ų3346.9 Ų46.920%0.228%0.28CS..EExtended strand (participates in β ladder)trans-111.3103.5171.5-173.90000107.1E157 R159 V180E157-V175 HydrophobicContact CB-CB 4.01Å; E157-V175 PolarHBondContact O-N 3.37Å; R159-V175 HydrophobicContact CB-CG2 3.84Å; V175-V180 HydrophobicContact CG1-CG2 4.3Å; V175-V180 HydrophobicContact CG2-CG2 4.08Å
176D65.1Low67Low105 Ų10549.6 Ų49.656%0.56131%0.306SS*.EExtended strand (participates in β ladder)trans-107.5120.7176.3-176.228.5000110.1G178 T179D176-G178 PolarHBondContact O-N 3.47Å; D176-T179 PolarHBondContact N-O 2.8Å; D176-T179 PolarHBondContact O-N 3.13Å
177S52.3Low64.1Low117 Ų11752.1 Ų52.182%0.81833%0.333SS*.THydrogen-bonded Turntrans48.434.8173.3-53.60000115T179S177-T179 VanDerWaalsContact C-N 3.35Å
178G50.9Low61.4Low70 Ų7055.6 Ų55.672%0.72235%0.351SS*.THydrogen-bonded Turntrans84.5-4.6-17800000115.8D176D176-G178 PolarHBondContact O-N 3.47Å
179T44.9Very low58.8Low85 Ų8564.5 Ų64.552%0.52139%0.393SS..EExtended strand (participates in β ladder)trans-101.6122170.7-54.30000109.3D176 S177 T181D176-T179 PolarHBondContact N-O 2.8Å; D176-T179 PolarHBondContact O-N 3.13Å; S177-T179 VanDerWaalsContact C-N 3.35Å; T179-T181 PolarHBondContact O-N 3.37Å
180V51.9Low56.3Low28 Ų2872.8 Ų72.817%0.1743%0.429CS..EExtended strand (participates in β ladder)trans-84.2107.3177.3-176.80000109A173 K174 V175 K182 W195A173-V180 HydrophobicContact CB-CG1 3.58Å; K174-V180 WeakPolarHBondContact O-CA 3.47Å; K174-V180 WeakPolarHBondContact O-CG1 3.48Å; V175-V180 HydrophobicContact CG1-CG2 4.3Å; V175-V180 HydrophobicContact CG2-CG2 4.08Å; V180-K182 PolarHBondContact O-N 2.88Å; V180-W195 HydrophobicContact CB-CH2 3.46Å; V180-W195 VanDerWaalsContact CB-CH2 3.46Å; V180-W195 HydrophobicContact CB-CZ2 4.46Å; V180-W195 HydrophobicContact CB-CZ3 4.09Å; V180-W195 HydrophobicContact CG1-CH2 3.57Å; V180-W195 HydrophobicContact CG1-CZ3 3.83Å; V180-W195 HydrophobicContact CG2-CH2 3.68Å; V180-W195 HydrophobicContact CG2-CZ2 4.34Å
181T48.4Very low54.1Low78 Ų7872.5 Ų72.548%0.47943%0.434SS..EExtended strand (participates in β ladder)trans-81.9111.2173.810.50000108.6K174 T179 C183K174-T181 PolarHBondContact N-O 2.99Å; K174-T181 PolarHBondContact O-N 3.16Å; T179-T181 PolarHBondContact O-N 3.37Å; T181-C183 PolarHBondContact O-N 3.05Å
182K44.4Very low51.9Low95 Ų9571.7 Ų71.741%0.41343%0.432SS..EExtended strand (participates in β ladder)trans-63.7127.9-178.5-170.4-180-174.9-156.70110.7V180 N184 T196V180-K182 PolarHBondContact O-N 2.88Å; K182-N184 WeakPolarHBondContact CD-OD1 3.41Å; K182-N184 WeakPolarHBondContact CE-OD1 3.41Å; K182-N184 WeakPolarHBondContact CG-OD1 3.35Å; K182-N184 PolarHBondContact NZ-OD1 2.91Å; K182-T196 HydrophobicContact CD-CG2 3.85Å
183C40.5Very low49.8Very low30 Ų3073.5 Ų73.520%0.20345%0.447CS..  trans-100.8113.7158.8-64.90000107T150 T181 F185T150-C183 HydrophobicContact CG2-CB 3.95Å; T181-C183 PolarHBondContact O-N 3.05Å; C183-F185 PolarHBondContact O-N 3.1Å
184N42.2Very low47.8Very low106 Ų10675.3 Ų75.357%0.56746%0.459SS*.  trans-74.7123.3-170-71.7-55000111.8K182K182-N184 WeakPolarHBondContact CD-OD1 3.41Å; K182-N184 WeakPolarHBondContact CE-OD1 3.41Å; K182-N184 WeakPolarHBondContact CG-OD1 3.35Å; K182-N184 PolarHBondContact NZ-OD1 2.91Å
185F36.9Very low45.7Very low63 Ų6376.7 Ų76.728%0.27646%0.463SS..  trans-65.5135.4157.2-179.2-115.8000109.8F170 C183 D188F170-F185 HydrophobicContact CE2-CE1 4.46Å; C183-F185 PolarHBondContact O-N 3.1Å; F185-D188 HydrophobicContact CD1-CB 4.35Å; F185-D188 HydrophobicContact CE1-CB 3.96Å
186A34.4Very low44Very low87 Ų8777.2 Ų77.272%0.71947%0.466SS*.SBendtrans-101.830.3178.900000113.4
187G33.9Very low43.2Very low54 Ų5477 Ų7756%0.55747%0.465SS*.SBendtrans-132.9-3.6-173.800000117.4
188D36.4Very low43.1Very low77 Ų7777.5 Ų77.541%0.41245%0.452SS..  trans-161.398.7171.4-170.818.2000109.6F185 K190 A191F185-D188 HydrophobicContact CD1-CB 4.35Å; F185-D188 HydrophobicContact CE1-CB 3.96Å; D188-K190 PolarHBondContact O-N 3.32Å; D188-K190 PolarHBondContact OD1-N 2.91Å; D188-A191 PolarHBondContact O-N 3.21Å
189E40.8Very low42.8Very low193 Ų19378.2 Ų78.290%0.90244%0.439SS*.Hα-helixtrans-56.1-20.1177.6-92.6177.2132.300113
190K42.1Very low42.9Very low177 Ų17780.4 Ų80.477%0.7745%0.445SS*.Hα-helixtrans-80.8-28.9-173.9-77-178.2175.5176.80114.9D188D188-K190 PolarHBondContact O-N 3.32Å; D188-K190 PolarHBondContact OD1-N 2.91Å
191A42.6Very low42.7Very low32 Ų3281.3 Ų81.326%0.26446%0.455SS..Hα-helixtrans-83.4-18.1-171.900000114.1F170 D188F170-A191 HydrophobicContact CE1-CB 3.6Å; F170-A191 HydrophobicContact CZ-CB 3.57Å; D188-A191 PolarHBondContact O-N 3.21Å
192G40.8Very low42.4Very low23 Ų2383.8 Ų83.824%0.23747%0.466CS..Hα-helixtrans-96.9-21-177.800000115.4T196G192-T196 PolarHBondContact O-OG1 3.01Å; G192-T196 VanDerWaalsContact O-OG1 3.06Å
193A44.4Very low42.2Very low40 Ų4086.2 Ų86.233%0.33148%0.476SS..Hα-helixtrans-74.2-42.9-172.400000113.1W195 T196 D197A193-W195 PolarHBondContact O-N 3.37Å; A193-T196 PolarHBondContact O-N 3.01Å; A193-T196 PolarHBondContact O-OG1 2.79Å; A193-D197 WeakPolarHBondContact O-CB 3.47Å; A193-D197 VanDerWaalsContact O-CG 3.22Å; A193-D197 PolarHBondContact O-N 3Å
194S44.8Very low42Very low48 Ų4889.4 Ų89.434%0.33650%0.495SS..Hα-helixtrans-68.5-11.2-170.3-168.90000115
195W42.6Very low41.9Very low70 Ų7091.5 Ų91.527%0.26551%0.506SS..Hα-helixtrans-105.5-37.7178.2-173.761.2000112.7V180 A193 D197 K198 I199V180-W195 HydrophobicContact CB-CH2 3.46Å; V180-W195 VanDerWaalsContact CB-CH2 3.46Å; V180-W195 HydrophobicContact CB-CZ2 4.46Å; V180-W195 HydrophobicContact CB-CZ3 4.09Å; V180-W195 HydrophobicContact CG1-CH2 3.57Å; V180-W195 HydrophobicContact CG1-CZ3 3.83Å; V180-W195 HydrophobicContact CG2-CH2 3.68Å; V180-W195 HydrophobicContact CG2-CZ2 4.34Å; A193-W195 PolarHBondContact O-N 3.37Å; W195-D197 VanDerWaalsContact C-N 3.28Å; W195-D197 PolarHBondContact O-N 2.96Å; W195-K198 PolarHBondContact O-N 3.02Å; W195-I199 HydrophobicContact CZ2-CD1 3.96Å; W195-I199 PolarHBondContact O-N 2.8Å
196T44.6Very low42.1Very low44 Ų4491.8 Ų91.827%0.2753%0.527SS..Hα-helixtrans-63.6-36.1171.241.50000111.8K182 G192 A193 K198 I199 M200K182-T196 HydrophobicContact CD-CG2 3.85Å; G192-T196 PolarHBondContact O-OG1 3.01Å; G192-T196 VanDerWaalsContact O-OG1 3.06Å; A193-T196 PolarHBondContact O-N 3.01Å; A193-T196 PolarHBondContact O-OG1 2.79Å; T196-K198 VanDerWaalsContact C-N 3.3Å; T196-K198 PolarHBondContact O-N 3.11Å; T196-I199 PolarHBondContact O-N 3.35Å; T196-M200 WeakPolarHBondContact O-CB 3.48Å; T196-M200 WeakPolarHBondContact O-CG 3.46Å; T196-M200 PolarHBondContact O-N 3.25Å
197D48Very low42.3Very low101 Ų10192.1 Ų92.154%0.5452%0.524SS..Hα-helixtrans-64.9-33.7179.4-70-19.6000112.2A193 W195 A201A193-D197 WeakPolarHBondContact O-CB 3.47Å; A193-D197 VanDerWaalsContact O-CG 3.22Å; A193-D197 PolarHBondContact O-N 3Å; W195-D197 VanDerWaalsContact C-N 3.28Å; W195-D197 PolarHBondContact O-N 2.96Å; D197-A201 WeakPolarHBondContact O-CA 3.17Å; D197-A201 WeakPolarHBondContact O-CB 3.25Å; D197-A201 PolarHBondContact O-N 2.89Å
198K50.1Low42.5Very low126 Ų12695.1 Ų95.155%0.54854%0.536SS..Hα-helixtrans-74.4-35.9176.9-77.4-173.2-173.7176.30113.2W195 T196 N202W195-K198 PolarHBondContact O-N 3.02Å; T196-K198 VanDerWaalsContact C-N 3.3Å; T196-K198 PolarHBondContact O-N 3.11Å; K198-N202 VanDerWaalsContact O-CB 3.29Å; K198-N202 WeakPolarHBondContact O-CB 3.35Å; K198-N202 PolarHBondContact O-N 3.09Å
199I44.1Very low42.2Very low86 Ų8697.1 Ų97.144%0.44156%0.556SS.*Hα-helixtrans-75.7-34.8177.3-63.3-156.8000111.4W195 T196 K203W195-I199 HydrophobicContact CZ2-CD1 3.96Å; W195-I199 PolarHBondContact O-N 2.8Å; T196-I199 PolarHBondContact O-N 3.35Å; I199-K203 PolarHBondContact O-N 3.22Å
200M47.6Very low41.8Very low131 Ų13197.5 Ų97.565%0.64556%0.558SS**Hα-helixtrans-69.1-43.5170.4-73.8-78.8-136.900111.5T196 N202 K203 T204T196-M200 WeakPolarHBondContact O-CB 3.48Å; T196-M200 WeakPolarHBondContact O-CG 3.46Å; T196-M200 PolarHBondContact O-N 3.25Å; M200-N202 VanDerWaalsContact C-N 3.3Å; M200-N202 PolarHBondContact O-N 3.25Å; M200-K203 CarbonylContact O-C 3.43Å; M200-K203 WeakPolarHBondContact O-CA 3.29Å; M200-K203 PolarHBondContact O-N 3.02Å; M200-T204 PolarHBondContact O-N 3.21Å; M200-T204 PolarHBondContact O-OG1 3.27Å; M200-T204 VanDerWaalsContact O-OG1 3.05Å
201A47.6Very low41.3Very low46 Ų4692.2 Ų92.238%0.3855%0.553SS.*Hα-helixtrans-58.7-42176.100000111.7D197 K203 T204 D205D197-A201 WeakPolarHBondContact O-CA 3.17Å; D197-A201 WeakPolarHBondContact O-CB 3.25Å; D197-A201 PolarHBondContact O-N 2.89Å; A201-K203 PolarHBondContact O-N 2.68Å; A201-T204 VanDerWaalsContact CA-OG1 3.25Å; A201-T204 WeakPolarHBondContact CA-OG1 3.47Å; A201-T204 PolarHBondContact O-N 3Å; A201-T204 PolarHBondContact O-OG1 3.13Å; A201-D205 PolarHBondContact O-N 3.14Å; A201-D205 VanDerWaalsContact O-N 3.1Å
202N41.2Very low40.9Very low131 Ų13197 Ų9770%0.70158%0.582SS**Hα-helixtrans-73.2-13.7177.8-151.653.5000113.4K198 M200K198-N202 VanDerWaalsContact O-CB 3.29Å; K198-N202 WeakPolarHBondContact O-CB 3.35Å; K198-N202 PolarHBondContact O-N 3.09Å; M200-N202 VanDerWaalsContact C-N 3.3Å; M200-N202 PolarHBondContact O-N 3.25Å
203K40.1Very low40.3Very low146 Ų14699.6 Ų99.664%0.63561%0.609SS**Hα-helixtrans-89.7-29.4168.6-85.1-176.7174.3-179.40112.6I199 M200 A201I199-K203 PolarHBondContact O-N 3.22Å; M200-K203 CarbonylContact O-C 3.43Å; M200-K203 WeakPolarHBondContact O-CA 3.29Å; M200-K203 PolarHBondContact O-N 3.02Å; A201-K203 PolarHBondContact O-N 2.68Å
204T37.9Very low39.7Very low97 Ų97102.6 Ų102.660%0.59563%0.634SS**Hα-helixtrans-75.1-26.3174.836.50000113.4M200 A201 G206M200-T204 PolarHBondContact O-N 3.21Å; M200-T204 PolarHBondContact O-OG1 3.27Å; M200-T204 VanDerWaalsContact O-OG1 3.05Å; A201-T204 VanDerWaalsContact CA-OG1 3.25Å; A201-T204 WeakPolarHBondContact CA-OG1 3.47Å; A201-T204 PolarHBondContact O-N 3Å; A201-T204 PolarHBondContact O-OG1 3.13Å; T204-G206 PolarHBondContact O-N 3.36Å
205D39.1Very low39.2Very low149 Ų149105.6 Ų105.680%0.79766%0.661SS**THydrogen-bonded Turntrans-78.13.4174.7-78.6-16.2000114.1A201A201-D205 PolarHBondContact O-N 3.14Å; A201-D205 VanDerWaalsContact O-N 3.1Å
206G40.3Very low38.7Very low70 Ų70105.7 Ų105.772%0.72268%0.684SS**THydrogen-bonded Turntrans-101.81.7175.700000115.3T204T204-G206 PolarHBondContact O-N 3.36Å
207S39.8Very low38.2Very low93 Ų93112.8 Ų112.865%0.6571%0.714SS**SBendtrans-151.878.6-173.4166.20000111.8
208S38.1Very low37.5Very low118 Ų118111.3 Ų111.383%0.82572%0.723SS**  trans159.697.1137.457.70000111.5
209S30.8Very low36.7Very low119 Ų119110.3 Ų110.383%0.83274%0.738SS**  trans-159.170.4144.5580000109G211S209-G211 VanDerWaalsContact C-N 3.32Å; S209-G211 PolarHBondContact O-N 2.85Å; S209-G211 VanDerWaalsContact O-N 3.13Å
210Q31.8Very low36.4Very low201 Ų201115.2 Ų115.294%0.93976%0.759SS**  trans-62103.1148.4-90.5-179.4-37.700106.3
211G30.4Very low36.1Very low65 Ų65117.8 Ų117.867%0.6777%0.769SS**  trans-68.8142.5162.600000109.5S209S209-G211 VanDerWaalsContact C-N 3.32Å; S209-G211 PolarHBondContact O-N 2.85Å; S209-G211 VanDerWaalsContact O-N 3.13Å
212P34.5Very low35.7Very low133 Ų133122.5 Ų122.586%0.86479%0.788SS**  trans-80.2128178.931.4-30.2000110.6
213G29.5Very low35.6Very low77 Ų77124.4 Ų124.479%0.79479%0.793SS**  trans82.4108150.900000117.9
214A31.2Very low36.1Very low104 Ų104129 Ų12986%0.8681%0.806SS**  -167.5133.6127.500000110.1
215A34.8Very low36Very low111 Ų111132 Ų13292%0.91782%0.819SS**  trans-48.6149.6178.900000115.1
216G32Very low36.1Very low71 Ų71136.4 Ų136.473%0.73284%0.842SS**  trans-174.170.6171.600000110.8
217E33.9Very low35.9Very low194 Ų194139.8 Ų139.891%0.90785%0.848SS**  trans27.7112.6156.3-73.2153.113200119.4
218G32.3Very low35.7Very low70 Ų70142.2 Ų142.272%0.72286%0.859SS**  trans-70.4137.3157.100000110.1E220G218-E220 PolarHBondContact O-N 3.2Å
219A34.5Very low35.6Very low105 Ų105143.6 Ų143.687%0.86886%0.861SS**  trans-72103.9164.600000107.8
220E37Very low35.9Very low188 Ų188145 Ų14588%0.87986%0.862SS**  trans-88123.2162.859-161.915500108.4G218G218-E220 PolarHBondContact O-N 3.2Å
221E41.2Very low36.1Very low186 Ų186141.5 Ų141.587%0.86986%0.858SS**  trans-89109.6171.4-37.3176.3-15600106.1
222D40Very low36.5Very low145 Ų145146.6 Ų146.678%0.77587%0.87SS**  trans-168.4150.8143.6-124.5-25.5000115.2
223E38.6Very low36.6Very low171 Ų171147.6 Ų147.680%0.79987%0.871SS**  trans85.1111.3150.8-71175.9168.200121.9
224W50.8Low37.2Very low242 Ų242153 Ų15392%0.91788%0.876SS**  trans-60.4140.3160.2-62.468.8000112.7
225D36.1Very low37.7Very low161 Ų161157.1 Ų157.186%0.86188%0.878SS**  172141112.5-106.1-18.1000112.7
226D41Very low37.9Very low241 Ų241161.3 Ų161.3100%1.28987%0.874SS**  trans77.20173.9-12515.2000120.1

Retrieved 226 of 226 residues in 371.5 ms (Link to these results)

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