A0A3Q0KUT9_SCHMA Loading...

Putative shc transforming protein

AlphaFold DB , UniProt , Accession A0A3Q0KUT9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 455 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
1M35.4Very low44.7Very low242 Ų242155.3 Ų155.3100%1.19278%0.778SS**  0106.70-73.3169.5174.200106.6
2S37.2Very low48Very low124 Ų124148.8 Ų148.887%0.86775%0.747SS**  trans-125.3120.8170.3-57.40000105.4
3I40.8Very low51.2Low169 Ų169141.2 Ų141.287%0.86771%0.707SS**  trans-99.2108.3176.9-61.6172.3000105.3
4E32.7Very low53.9Low180 Ų180140.2 Ų140.284%0.84170%0.699SS**  trans-82.6130.7178-163155.8-171.400109.3Q6E4-Q6 PolarHBondContact O-N 3.3Å
5P34.3Very low56.3Low110 Ų110135.9 Ų135.971%0.71468%0.679SS**  trans-82.3115.5-167.730.3-33.7000112R7P5-R7 PolarHBondContact O-N 3.24Å
6Q29.7Very low58.4Low173 Ų173131.9 Ų131.981%0.80867%0.668SS**  trans-57.9103.6163.3-77.3-177.5-6300109.7E4 S8E4-Q6 PolarHBondContact O-N 3.3Å; Q6-S8 PolarHBondContact O-N 2.69Å
7R33.3Very low60.4Low234 Ų234129.5 Ų129.588%0.88365%0.654SS**  trans-90.295.8169.3-169.9-167.6-57.3-170.34.7107.8P5 Q9P5-R7 PolarHBondContact O-N 3.24Å; R7-Q9 PolarHBondContact O-N 2.77Å; R7-Q9 VanDerWaalsContact O-N 3.15Å
8S38.8Very low62.1Low98 Ų98122.3 Ų122.369%0.68562%0.618SS**PPolyproline II helixtrans-53.8118.1176.954.80000110.9Q6 Q10Q6-S8 PolarHBondContact O-N 2.69Å; S8-Q10 PolarHBondContact O-N 3.46Å
9Q54.6Low63.5Low120 Ų120117.3 Ų117.356%0.56160%0.597SS**PPolyproline II helixtrans-61.9128.5167.4-70.8175.9-74.600108.6R7R7-Q9 PolarHBondContact O-N 2.77Å; R7-Q9 VanDerWaalsContact O-N 3.15Å
10Q69.1Low64.6Low177 Ų177113.9 Ų113.983%0.82759%0.587SS**PPolyproline II helixtrans-94.1119.4170-66.9-175.1-65.200107.7S8S8-Q10 PolarHBondContact O-N 3.46Å
11W85.7Confident65.7Low81 Ų81115.9 Ų115.931%0.30760%0.599SS.*PPolyproline II helixtrans-65.6152.2167.4-64.7122.7000110.5I164 Q168 Q171W11-I164 HydrophobicContact CE3-CG2 3.95Å; W11-I164 HydrophobicContact CZ3-CG2 4.23Å; W11-Q168 VanDerWaalsContact CB-CD 3.47Å; W11-Q168 HydrophobicContact CB-CG 4.12Å; W11-Q168 HydrophobicContact CD2-CB 3.82Å; W11-Q168 HydrophobicContact CD2-CG 3.76Å; W11-Q168 HydrophobicContact CE3-CB 3.56Å; W11-Q168 HydrophobicContact CE3-CG 4.06Å; W11-Q168 HydrophobicContact CG-CB 4.33Å; W11-Q168 HydrophobicContact CG-CG 3.8Å; W11-Q168 HydrophobicContact CH2-CB 4.43Å; W11-Q168 HydrophobicContact CZ3-CB 3.89Å; W11-Q171 HydrophobicContact CZ2-CB 4.07Å; W11-Q171 HydrophobicContact CZ2-CG 4.07Å
12L84.8Confident68.1Low78 Ų78106.2 Ų106.241%0.40856%0.557SS.*SBendtrans-74.8-26.4-176.3-66.1174.1000113.1D161 I164L12-D161 HydrophobicContact CD1-CB 3.64Å; L12-I164 HydrophobicContact CD1-CB 4.02Å; L12-I164 HydrophobicContact CD1-CD1 4.4Å; L12-I164 HydrophobicContact CD1-CG2 3.93Å; L12-I164 HydrophobicContact CG-CG2 3.93Å
13H89Confident70.7Confident50 Ų50101.8 Ų101.823%0.23153%0.531CS..SBendtrans-121.2157.9-174.8-49.8-71.7000111.2Q17 V24 F26 T165 Q168H13-Q17 HydrophobicContact CB-CB 4.28Å; H13-V24 HydrophobicContact CB-CG2 4.41Å; H13-V24 VanDerWaalsContact CE1-CG1 3.49Å; H13-V24 WeakPolarHBondContact CE1-CG1 3.33Å; H13-F26 AromaticContact NE2-CZ 3.57Å; H13-T165 VanDerWaalsContact CD2-CG2 3.48Å; H13-T165 WeakPolarHBondContact CD2-CG2 3.35Å; H13-T165 PolarHBondContact CD2-OG1 2.87Å; H13-T165 WeakPolarHBondContact NE2-CB 3.27Å; H13-T165 WeakPolarHBondContact NE2-CG2 3.21Å; H13-T165 PolarHBondContact NE2-OG1 3.34Å; H13-Q168 PolarHBondContact O-NE2 3.5Å
14H89.9Confident73.4Confident127 Ų12794.5 Ų94.559%0.58849%0.494SS*.  trans-75.2141.4162.8-171.8-102.5000109.4S16 Q17H14-S16 PolarHBondContact ND1-OG 2.75Å; H14-S16 PolarHBondContact O-N 3.36Å; H14-Q17 HydrophobicContact CB-CG 4.43Å; H14-Q17 VanDerWaalsContact O-CB 3.29Å; H14-Q17 WeakPolarHBondContact O-CB 3.49Å; H14-Q17 PolarHBondContact O-N 3.29Å
15D89.6Confident76.4Confident75 Ų7589.4 Ų89.440%0.40148%0.476SS..G310 helixtrans-57-31.1-171.2-60.9-30.1000113.6Q17 L18 A19 Q168 L172D15-Q17 PolarHBondContact O-N 3.29Å; D15-L18 CarbonylContact O-C 3.53Å; D15-L18 PolarHBondContact O-N 3.24Å; D15-A19 PolarHBondContact O-N 3.34Å; D15-Q168 PolarHBondContact OD1-NE2 3.06Å; D15-L172 HydrophobicContact CB-CD1 3.77Å; D15-L172 HydrophobicContact CB-CD2 3.69Å; D15-L172 HydrophobicContact CB-CG 4.38Å
16S89.9Confident79.4Confident73 Ų7385 Ų8551%0.5145%0.445SS..G310 helixtrans-66.6-14.7174.969.10000114.9H14 L18 A22H14-S16 PolarHBondContact ND1-OG 2.75Å; H14-S16 PolarHBondContact O-N 3.36Å; S16-L18 VanDerWaalsContact C-N 3.3Å; S16-A22 VanDerWaalsContact O-CB 3.32Å; S16-A22 WeakPolarHBondContact O-CB 3.37Å
17Q92.4Very high82.6Confident91 Ų9181.9 Ų81.943%0.42543%0.431SS..G310 helixtrans-80.3-16.5172.2-59.7177.3-10300111.9H13 H14 D15 G23 V24H13-Q17 HydrophobicContact CB-CB 4.28Å; H14-Q17 HydrophobicContact CB-CG 4.43Å; H14-Q17 VanDerWaalsContact O-CB 3.29Å; H14-Q17 WeakPolarHBondContact O-CB 3.49Å; H14-Q17 PolarHBondContact O-N 3.29Å; D15-Q17 PolarHBondContact O-N 3.29Å; Q17-G23 CarbonylContact O-C 3.22Å; Q17-G23 VanDerWaalsContact O-CA 3.23Å; Q17-G23 WeakPolarHBondContact O-CA 3.31Å; Q17-G23 PolarHBondContact O-N 3.49Å; Q17-G23 VanDerWaalsContact O-N 3.07Å; Q17-V24 HydrophobicContact CB-CG2 4.23Å
18L91.2Very high85.6Confident0 Ų071 Ų710%039%0.39CS..SBendtrans-11011176.3-65.8171.9000112D15 S16 V24 I98 T99 S100 T165 Q168 A169 L172D15-L18 CarbonylContact O-C 3.53Å; D15-L18 PolarHBondContact O-N 3.24Å; S16-L18 VanDerWaalsContact C-N 3.3Å; L18-V24 HydrophobicContact CD2-CB 4.02Å; L18-V24 HydrophobicContact CD2-CG2 3.6Å; L18-V24 HydrophobicContact CG-CG2 4.18Å; L18-I98 HydrophobicContact CD2-CB 4.43Å; L18-I98 HydrophobicContact CD2-CG2 4.11Å; L18-I98 WeakPolarHBondContact CD2-O 3.4Å; L18-T99 CarbonylContact O-C 3.3Å; L18-S100 VanDerWaalsContact O-CB 3.32Å; L18-S100 WeakPolarHBondContact O-CB 3.38Å; L18-S100 PolarHBondContact O-N 3Å; L18-T165 HydrophobicContact CD1-CG2 4.37Å; L18-T165 HydrophobicContact CD2-CG2 3.83Å; L18-Q168 HydrophobicContact CD1-CB 3.72Å; L18-Q168 VanDerWaalsContact CD1-CD 3.44Å; L18-Q168 HydrophobicContact CD1-CG 3.58Å; L18-A169 HydrophobicContact CD1-CB 4.5Å; L18-L172 HydrophobicContact CB-CD1 3.8Å; L18-L172 HydrophobicContact CD1-CD1 4.12Å
19A88.7Confident88.4Confident27 Ų2768.6 Ų68.622%0.22337%0.368CS..SBendtrans-60159169.600000111.2D15 D21 A22D15-A19 PolarHBondContact O-N 3.34Å; A19-D21 WeakPolarHBondContact CB-OD1 3.43Å; A19-D21 PolarHBondContact O-N 3.37Å; A19-A22 HydrophobicContact CB-CB 4.18Å; A19-A22 CarbonylContact O-C 3.58Å; A19-A22 VanDerWaalsContact O-C 3.3Å; A19-A22 WeakPolarHBondContact O-CA 3.5Å; A19-A22 PolarHBondContact O-N 3.1Å; A19-A22 VanDerWaalsContact O-O 3.08Å
20A85Confident90.4Very high48 Ų4863 Ų6340%0.39734%0.342SS..THydrogen-bonded Turntrans-67.1-21.1-174.300000115Q101A20-Q101 HydrophobicContact CB-CB 4.33Å; A20-Q101 HydrophobicContact CB-CG 3.76Å
21D86.9Confident91.8Very high157 Ų15754.6 Ų54.684%0.8430%0.303SS*.THydrogen-bonded Turntrans-96.6-4.2172.763-38.2000113.1A19A19-D21 WeakPolarHBondContact CB-OD1 3.43Å; A19-D21 PolarHBondContact O-N 3.37Å
22A87Confident92.3Very high39 Ų3950.8 Ų50.832%0.32229%0.288SS..  trans-110.1-167.4171.400000109.9S16 A19 T99S16-A22 VanDerWaalsContact O-CB 3.32Å; S16-A22 WeakPolarHBondContact O-CB 3.37Å; A19-A22 HydrophobicContact CB-CB 4.18Å; A19-A22 CarbonylContact O-C 3.58Å; A19-A22 VanDerWaalsContact O-C 3.3Å; A19-A22 WeakPolarHBondContact O-CA 3.5Å; A19-A22 PolarHBondContact O-N 3.1Å; A19-A22 VanDerWaalsContact O-O 3.08Å; A22-T99 WeakPolarHBondContact O-CG2 3.48Å
23G92Very high92.9Very high31 Ų3147 Ų4732%0.3227%0.269SS..  trans172.9155.4170.800000112Q17 I98Q17-G23 CarbonylContact O-C 3.22Å; Q17-G23 VanDerWaalsContact O-CA 3.23Å; Q17-G23 WeakPolarHBondContact O-CA 3.31Å; Q17-G23 PolarHBondContact O-N 3.49Å; Q17-G23 VanDerWaalsContact O-N 3.07Å; G23-I98 VanDerWaalsContact CA-O 3.28Å; G23-I98 WeakPolarHBondContact CA-O 3.43Å
24V96.1Very high93.2Very high15 Ų1544.7 Ų44.79%0.09126%0.258CS..EExtended strand (participates in β ladder)trans-105.4121.9169.2-178.60000108.3H13 Q17 L18 F26 T97 I98 T165H13-V24 HydrophobicContact CB-CG2 4.41Å; H13-V24 VanDerWaalsContact CE1-CG1 3.49Å; H13-V24 WeakPolarHBondContact CE1-CG1 3.33Å; Q17-V24 HydrophobicContact CB-CG2 4.23Å; L18-V24 HydrophobicContact CD2-CB 4.02Å; L18-V24 HydrophobicContact CD2-CG2 3.6Å; L18-V24 HydrophobicContact CG-CG2 4.18Å; V24-F26 HydrophobicContact CB-CE2 4.32Å; V24-F26 HydrophobicContact CG1-CD2 4.14Å; V24-F26 HydrophobicContact CG1-CE2 3.45Å; V24-F26 VanDerWaalsContact CG1-CE2 3.45Å; V24-F26 HydrophobicContact CG1-CZ 3.87Å; V24-T97 WeakPolarHBondContact O-CA 3.44Å; V24-I98 PolarHBondContact N-O 3.14Å; V24-I98 PolarHBondContact O-N 3.17Å; V24-T165 HydrophobicContact CB-CG2 4.03Å; V24-T165 HydrophobicContact CG1-CG2 4.21Å; V24-T165 HydrophobicContact CG2-CG2 4.35Å
25T96.6Very high93.4Very high73 Ų7340.1 Ų40.145%0.44824%0.24SC..EExtended strand (participates in β ladder)trans-106.5130.6-177-54.90000111Y95 L96 T97T25-Y95 HydrophobicContact CG2-CD1 3.68Å; T25-Y95 HydrophobicContact CG2-CG 3.89Å; T25-L96 WeakPolarHBondContact CA-O 3.3Å; T25-T97 WeakPolarHBondContact CG2-OG1 3.28Å; T25-T97 PolarHBondContact OG1-OG1 2.86Å
26F97.2Very high93.6Very high17 Ų1736.9 Ų36.98%0.07522%0.222CC..EExtended strand (participates in β ladder)trans-115.6137.2174.4-66-95.5000110.5H13 V24 L28 Y95 L96 I98 L158 D161 V162 T165H13-F26 AromaticContact NE2-CZ 3.57Å; V24-F26 HydrophobicContact CB-CE2 4.32Å; V24-F26 HydrophobicContact CG1-CD2 4.14Å; V24-F26 HydrophobicContact CG1-CE2 3.45Å; V24-F26 VanDerWaalsContact CG1-CE2 3.45Å; V24-F26 HydrophobicContact CG1-CZ 3.87Å; F26-L28 HydrophobicContact CB-CD1 4.48Å; F26-L28 HydrophobicContact CB-CD2 4.47Å; F26-L28 HydrophobicContact CB-CG 4.14Å; F26-Y95 WeakPolarHBondContact O-CA 3.44Å; F26-L96 PolarHBondContact N-O 3.4Å; F26-L96 PolarHBondContact O-N 2.9Å; F26-I98 HydrophobicContact CD2-CD1 3.8Å; F26-I98 HydrophobicContact CE2-CD1 3.74Å; F26-L158 HydrophobicContact CD1-CD2 4.46Å; F26-D161 HydrophobicContact CE1-CB 4.32Å; F26-V162 HydrophobicContact CB-CG2 4.06Å; F26-V162 HydrophobicContact CD1-CG2 3.5Å; F26-V162 VanDerWaalsContact CD1-CG2 3.5Å; F26-V162 HydrophobicContact CD2-CG2 3.94Å; F26-V162 HydrophobicContact CE1-CG2 3.8Å; F26-V162 HydrophobicContact CE2-CG2 4.21Å; F26-V162 HydrophobicContact CG-CG2 3.57Å; F26-V162 HydrophobicContact CZ-CG2 4.15Å; F26-T165 HydrophobicContact CE2-CG2 3.94Å; F26-T165 HydrophobicContact CZ-CG2 4.36Å
27E96.9Very high93.7Very high109 Ų10938.7 Ų38.751%0.50923%0.226SC..EExtended strand (participates in β ladder)trans-80.2119167.9169.1159.6-161.300109Y95 I108E27-Y95 HydrophobicContact CB-CD1 4.44Å; E27-Y95 HydrophobicContact CB-CE1 4.25Å; E27-I108 HydrophobicContact CB-CD1 4.35Å; E27-I108 HydrophobicContact CG-CD1 3.61Å; E27-I108 WeakPolarHBondContact OE1-CD1 3.26Å
28L96.8Very high93.2Very high6 Ų635.8 Ų35.83%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-138.7168.3-174.5-63.7-177.3000110.4F26 N93 V94 L96 I136 F152 C154 V162F26-L28 HydrophobicContact CB-CD1 4.48Å; F26-L28 HydrophobicContact CB-CD2 4.47Å; F26-L28 HydrophobicContact CB-CG 4.14Å; L28-N93 WeakPolarHBondContact O-CA 3.39Å; L28-V94 HydrophobicContact CB-CG2 4.26Å; L28-V94 PolarHBondContact N-O 2.64Å; L28-V94 PolarHBondContact O-N 3.41Å; L28-V94 VanDerWaalsContact O-O 3.09Å; L28-L96 HydrophobicContact CD1-CB 3.76Å; L28-L96 HydrophobicContact CD1-CD2 3.63Å; L28-L96 HydrophobicContact CD1-CG 4.34Å; L28-I136 HydrophobicContact CD1-CD1 4.1Å; L28-F152 HydrophobicContact CD1-CB 4.15Å; L28-F152 HydrophobicContact CD1-CD1 4.33Å; L28-F152 HydrophobicContact CD1-CG 4.36Å; L28-C154 HydrophobicContact CD2-CB 3.79Å; L28-C154 WeakPolarHBondContact CD2-SG 3.14Å; L28-V162 HydrophobicContact CD2-CG2 4.43Å
29Q96.7Very high92.8Very high47 Ų4736.1 Ų36.122%0.2222%0.216CC..EExtended strand (participates in β ladder)trans-108.1125.2163.7-174.5168.8101.300110V31 I91 N93 F152 E153Q29-V31 PolarHBondContact O-N 3.43Å; Q29-I91 HydrophobicContact CG-CD1 4.45Å; Q29-N93 PolarHBondContact NE2-OD1 3.32Å; Q29-F152 CarbonylContact O-C 3.53Å; Q29-F152 VanDerWaalsContact O-CA 3.23Å; Q29-F152 WeakPolarHBondContact O-CA 3.13Å; Q29-E153 HydrophobicContact CB-CB 4.38Å; Q29-E153 PolarHBondContact N-O 3.23Å; Q29-E153 PolarHBondContact O-N 3.26Å
30Y97.4Very high92.4Very high3 Ų334.8 Ų34.81%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-80.4117172.7176.1-123.9000109.1G32 A33 T88 W89 I91 V92 F115 Y150 V151 F152Y30-G32 VanDerWaalsContact CE2-O 3.24Å; Y30-G32 WeakPolarHBondContact CE2-O 3.26Å; Y30-A33 WeakPolarHBondContact OH-CB 3.28Å; Y30-A33 PolarHBondContact OH-N 3.42Å; Y30-T88 WeakPolarHBondContact CE1-O 3.48Å; Y30-W89 HydrophobicContact CD1-CB 4.21Å; Y30-W89 WeakPolarHBondContact CD1-O 3.39Å; Y30-W89 HydrophobicContact CE1-CB 4.28Å; Y30-I91 WeakPolarHBondContact O-CA 3.4Å; Y30-I91 PolarHBondContact O-N 3.44Å; Y30-V92 PolarHBondContact N-O 3.09Å; Y30-V92 PolarHBondContact O-N 3.46Å; Y30-F115 HydrophobicContact CD1-CE1 4.29Å; Y30-F115 HydrophobicContact CD1-CZ 4.47Å; Y30-F115 HydrophobicContact CD2-CZ 4.16Å; Y30-F115 AromaticContact CE1-CE1 3.82Å; Y30-F115 HydrophobicContact CE1-CE1 3.82Å; Y30-F115 HydrophobicContact CE1-CZ 4.17Å; Y30-F115 HydrophobicContact CE2-CE1 4.29Å; Y30-F115 AromaticContact CE2-CZ 3.83Å; Y30-F115 HydrophobicContact CE2-CZ 3.83Å; Y30-F115 HydrophobicContact CG-CZ 4.47Å; Y30-F115 AromaticContact CZ-CE1 3.82Å; Y30-F115 AromaticContact CZ-CZ 3.84Å; Y30-Y150 HydrophobicContact CE2-CD1 4.07Å; Y30-V151 WeakPolarHBondContact CD2-O 2.96Å; Y30-F152 AromaticContact CD2-CD1 3.92Å; Y30-F152 HydrophobicContact CD2-CD1 3.92Å; Y30-F152 AromaticContact CD2-CE1 3.53Å; Y30-F152 HydrophobicContact CD2-CE1 3.53Å; Y30-F152 HydrophobicContact CD2-CE2 4.3Å; Y30-F152 HydrophobicContact CD2-CG 4.46Å; Y30-F152 AromaticContact CD2-CZ 3.73Å; Y30-F152 HydrophobicContact CD2-CZ 3.73Å; Y30-F152 HydrophobicContact CE2-CE1 4.46Å; Y30-F152 HydrophobicContact CE2-CZ 4.23Å; Y30-F152 HydrophobicContact CG-CD1 4.42Å; Y30-F152 HydrophobicContact CG-CE1 4.06Å
31V96.9Very high91.9Very high0 Ų033.9 Ų33.90%019%0.193CC..EExtended strand (participates in β ladder)trans-87.2-33.7-174.2-165.90000110.5Q29 V59 V63 L65 A90 I91 F135 V151 E153Q29-V31 PolarHBondContact O-N 3.43Å; V31-V59 HydrophobicContact CB-CG1 3.99Å; V31-V59 HydrophobicContact CG1-CG1 3.72Å; V31-V63 HydrophobicContact CG1-CG2 4.22Å; V31-L65 HydrophobicContact CG1-CD1 3.8Å; V31-A90 WeakPolarHBondContact O-CA 3.46Å; V31-A90 WeakPolarHBondContact O-CB 3.43Å; V31-I91 HydrophobicContact CG1-CD1 4.16Å; V31-F135 HydrophobicContact CG2-CD1 4.32Å; V31-F135 HydrophobicContact CG2-CE1 4.04Å; V31-V151 HydrophobicContact CB-CB 4.42Å; V31-V151 HydrophobicContact CB-CG1 4.12Å; V31-V151 HydrophobicContact CG2-CG1 4.18Å; V31-V151 PolarHBondContact N-O 2.81Å; V31-E153 HydrophobicContact CG2-CB 3.91Å
32G96.9Very high91.3Very high0 Ų028.4 Ų28.40%017%0.167CC..EExtended strand (participates in β ladder)trans146.2-172.7-179.700000111.8Y30 V151Y30-G32 VanDerWaalsContact CE2-O 3.24Å; Y30-G32 WeakPolarHBondContact CE2-O 3.26Å; G32-V151 PolarHBondContact O-N 3.39Å
33A96.8Very high90.8Very high0 Ų027.3 Ų27.30%016%0.156CC..EExtended strand (participates in β ladder)trans-131.8163.9175.700000112.4Y30 T85 D86 M148 C149 Y150Y30-A33 WeakPolarHBondContact OH-CB 3.28Å; Y30-A33 PolarHBondContact OH-N 3.42Å; A33-T85 VanDerWaalsContact O-CG2 3.29Å; A33-T85 WeakPolarHBondContact O-CG2 3.38Å; A33-D86 HydrophobicContact CB-CB 4.45Å; A33-D86 PolarHBondContact N-O 3.01Å; A33-D86 PolarHBondContact O-N 3.24Å; A33-M148 HydrophobicContact CB-CE 3.83Å; A33-C149 CarbonylContact C-O 3.5Å; A33-C149 WeakPolarHBondContact CA-O 3.37Å; A33-C149 WeakPolarHBondContact CB-O 3.49Å; A33-Y150 HydrophobicContact CB-CD1 3.74Å; A33-Y150 HydrophobicContact CB-CE1 3.96Å; A33-Y150 HydrophobicContact CB-CG 4.26Å
34I95.8Very high90.1Very high1 Ų130.3 Ų30.31%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-141.5139.1174.1-167.6165.4000110.7S55 R58 V59 I81 T85 C149I34-S55 VanDerWaalsContact CG2-CB 3.48Å; I34-S55 WeakPolarHBondContact CG2-OG 3.41Å; I34-R58 HydrophobicContact CD1-CB 3.95Å; I34-R58 HydrophobicContact CD1-CG 3.61Å; I34-V59 HydrophobicContact CB-CG2 3.95Å; I34-V59 HydrophobicContact CG2-CG2 4Å; I34-I81 HydrophobicContact CD1-CG2 3.48Å; I34-I81 VanDerWaalsContact CD1-CG2 3.48Å; I34-I81 HydrophobicContact CG1-CG2 3.85Å; I34-I81 HydrophobicContact CG2-CG2 4.47Å; I34-T85 HydrophobicContact CB-CG2 4.3Å; I34-C149 HydrophobicContact CG2-CB 4.03Å; I34-C149 PolarHBondContact N-O 3.03Å; I34-C149 PolarHBondContact O-N 3.21Å
35P95.3Very high89.3Confident31 Ų3133.7 Ų33.720%0.20118%0.181CC..EExtended strand (participates in β ladder)trans-62.7147.1178.7-19.830.7000112.1G82 S84 R147 M148P35-G82 PolarHBondContact O-N 3.44Å; P35-S84 WeakPolarHBondContact CD-O 3.32Å; P35-R147 CarbonylContact C-O 3.5Å; P35-R147 WeakPolarHBondContact CA-O 3.38Å; P35-M148 VanDerWaalsContact CA-SD 3.57Å; P35-M148 HydrophobicContact CB-SD 3.89Å; P35-M148 HydrophobicContact CG-CE 4.18Å; P35-M148 HydrophobicContact CG-SD 3.76Å
36V93.9Very high88.6Confident6 Ų635.7 Ų35.74%0.03619%0.189CC..BIsolated β-bridgetrans-115.9116.6170.1-172.50000107.8T38 I40 I51 F80 V139 R147 C149V36-T38 HydrophobicContact CG1-CG2 4.35Å; V36-T38 PolarHBondContact O-N 2.97Å; V36-I40 HydrophobicContact CG1-CD1 4.15Å; V36-I40 HydrophobicContact CG1-CG1 3.85Å; V36-I51 HydrophobicContact CG1-CG2 4.11Å; V36-I51 HydrophobicContact CG2-CG2 4.48Å; V36-F80 CarbonylContact C-O 3.5Å; V36-F80 WeakPolarHBondContact CA-O 3.45Å; V36-F80 WeakPolarHBondContact CG1-O 3.49Å; V36-V139 HydrophobicContact CB-CG1 4.3Å; V36-V139 HydrophobicContact CG2-CG1 3.82Å; V36-R147 HydrophobicContact CB-CB 4.35Å; V36-R147 PolarHBondContact N-O 3.35Å; V36-C149 HydrophobicContact CG2-CB 3.72Å
37L90.8Very high88.2Confident111 Ų11136.7 Ų36.758%0.58120%0.195SC*.SBendtrans-79.6-2.2-169.8-56-177.9000113.7F80 I81L37-F80 PolarHBondContact N-O 2.75Å; L37-I81 WeakPolarHBondContact CD1-O 3.27Å
38T83Confident87.8Confident30 Ų3032.3 Ų32.318%0.18417%0.174CC..SBendtrans-129.4159.2176.3-170.60000110.7V36 I40 S42 V43 I51 F80 R147V36-T38 HydrophobicContact CG1-CG2 4.35Å; V36-T38 PolarHBondContact O-N 2.97Å; T38-I40 PolarHBondContact O-N 2.87Å; T38-S42 PolarHBondContact OG1-OG 3.03Å; T38-V43 HydrophobicContact CG2-CG1 4.27Å; T38-I51 HydrophobicContact CG2-CD1 4.35Å; T38-F80 HydrophobicContact CG2-CB 4.04Å; T38-F80 HydrophobicContact CG2-CD1 3.57Å; T38-F80 HydrophobicContact CG2-CE1 4.34Å; T38-F80 HydrophobicContact CG2-CG 4.06Å; T38-R147 WeakPolarHBondContact O-CD 3.16Å
39S81.8Confident87.4Confident7 Ų733.1 Ų33.15%0.04918%0.179CC..  trans-64.4121.1159.8179.30000109.1K41 S42 R147 G353S39-K41 PolarHBondContact O-N 3.11Å; S39-K41 WeakPolarHBondContact OG-CB 3.42Å; S39-K41 PolarHBondContact OG-N 3.04Å; S39-S42 WeakPolarHBondContact O-CB 3.3Å; S39-S42 PolarHBondContact O-N 3.24Å; S39-S42 PolarHBondContact O-OG 2.85Å; S39-R147 PolarHBondContact OG-NH2 3.33Å; S39-G353 VanDerWaalsContact CB-O 3.28Å; S39-G353 WeakPolarHBondContact CB-O 3.45Å; S39-G353 PolarHBondContact OG-O 2.84Å
40I81.2Confident87.1Confident0 Ų034.9 Ų34.90%018%0.184CC..G310 helixtrans-59.7-27.6170.6-68.4-157.9000110.8V36 T38 S42 V43 R48 I51 F124 V139V36-I40 HydrophobicContact CG1-CD1 4.15Å; V36-I40 HydrophobicContact CG1-CG1 3.85Å; T38-I40 PolarHBondContact O-N 2.87Å; I40-S42 PolarHBondContact O-N 2.82Å; I40-S42 VanDerWaalsContact O-N 3.16Å; I40-V43 WeakPolarHBondContact O-CG2 3.31Å; I40-V43 PolarHBondContact O-N 2.96Å; I40-R48 HydrophobicContact CG2-CB 3.7Å; I40-R48 HydrophobicContact CG2-CG 3.5Å; I40-R48 VanDerWaalsContact CG2-CG 3.5Å; I40-R48 WeakPolarHBondContact O-CD 3.32Å; I40-R48 VanDerWaalsContact O-CZ 3.23Å; I40-R48 PolarHBondContact O-NE 3.25Å; I40-I51 HydrophobicContact CD1-CG2 3.94Å; I40-F124 HydrophobicContact CG2-CB 3.65Å; I40-F124 HydrophobicContact CG2-CD1 4.3Å; I40-F124 HydrophobicContact CG2-CD2 4.45Å; I40-F124 HydrophobicContact CG2-CG 3.92Å; I40-V139 HydrophobicContact CD1-CB 3.8Å; I40-V139 HydrophobicContact CD1-CG1 3.78Å; I40-V139 HydrophobicContact CD1-CG2 3.48Å; I40-V139 VanDerWaalsContact CD1-CG2 3.48Å; I40-V139 HydrophobicContact CG1-CG1 4.18Å
41K73.4Confident86.8Confident29 Ų2934.8 Ų34.813%0.12618%0.183CC..G310 helixtrans-67.1-10.3172.6-57.8-170.9-175.5-164.90114.1S39 R48 N268 F269 G353 P355S39-K41 PolarHBondContact O-N 3.11Å; S39-K41 WeakPolarHBondContact OG-CB 3.42Å; S39-K41 PolarHBondContact OG-N 3.04Å; K41-R48 PolarHBondContact O-NH2 2.9Å; K41-R48 VanDerWaalsContact O-NH2 3.07Å; K41-N268 VanDerWaalsContact CE-O 3.28Å; K41-N268 WeakPolarHBondContact CE-O 3.5Å; K41-N268 PolarHBondContact NZ-O 3.15Å; K41-F269 HydrophobicContact CB-CD2 4.08Å; K41-F269 HydrophobicContact CB-CE2 3.98Å; K41-F269 HydrophobicContact CD-CD2 4.11Å; K41-F269 HydrophobicContact CD-CE2 4.46Å; K41-F269 HydrophobicContact CG-CD2 4.22Å; K41-G353 CarbonylContact C-O 3.54Å; K41-G353 WeakPolarHBondContact CB-O 3.29Å; K41-P355 HydrophobicContact CD-CG 4.44Å
42S74.5Confident86.7Confident42 Ų4234.8 Ų34.829%0.29418%0.183SC..G310 helixtrans-83.7-28.117577.40000115.2T38 S39 I40T38-S42 PolarHBondContact OG1-OG 3.03Å; S39-S42 WeakPolarHBondContact O-CB 3.3Å; S39-S42 PolarHBondContact O-N 3.24Å; S39-S42 PolarHBondContact O-OG 2.85Å; I40-S42 PolarHBondContact O-N 2.82Å; I40-S42 VanDerWaalsContact O-N 3.16Å
43V76.1Confident86.4Confident16 Ų1637.5 Ų37.510%0.09719%0.194CC..SBendtrans-99.2159.9-170.3-57.20000110.7T38 I40 I47 R48 I51 F80T38-V43 HydrophobicContact CG2-CG1 4.27Å; I40-V43 WeakPolarHBondContact O-CG2 3.31Å; I40-V43 PolarHBondContact O-N 2.96Å; V43-I47 HydrophobicContact CB-CB 3.97Å; V43-I47 HydrophobicContact CB-CG2 3.78Å; V43-I47 HydrophobicContact CG1-CG2 4.11Å; V43-I47 HydrophobicContact CG2-CB 3.96Å; V43-I47 HydrophobicContact CG2-CG2 3.75Å; V43-R48 HydrophobicContact CG2-CG 3.66Å; V43-R48 VanDerWaalsContact O-CZ 3.24Å; V43-R48 PolarHBondContact O-NE 3.47Å; V43-R48 PolarHBondContact O-NH2 3.28Å; V43-I51 HydrophobicContact CG2-CD1 4.1Å; V43-F80 HydrophobicContact CG1-CE1 4.28Å; V43-F80 HydrophobicContact CG1-CZ 4.32Å
44N77Confident86.2Confident94 Ų9438.9 Ų38.950%0.50321%0.205SC..  trans-68.6155.4175.372.723.6000111.3N46 I47 R48N44-N46 PolarHBondContact O-N 3Å; N44-N46 VanDerWaalsContact O-N 3.15Å; N44-N46 PolarHBondContact OD1-N 2.91Å; N44-I47 WeakPolarHBondContact O-CA 3.18Å; N44-I47 PolarHBondContact O-N 2.92Å; N44-I47 VanDerWaalsContact OD1-CG1 3.26Å; N44-I47 WeakPolarHBondContact OD1-CG1 3.38Å; N44-I47 PolarHBondContact OD1-N 3.33Å; N44-R48 WeakPolarHBondContact O-CG 3.41Å; N44-R48 PolarHBondContact O-N 3.35Å
45I80.2Confident86.1Confident85 Ų8538.8 Ų38.844%0.43620%0.204SC..Hα-helixtrans-53.5-38.7-174.6-167.1171.2000113.1I47 R48 T49 F124I45-I47 VanDerWaalsContact C-N 3.28Å; I45-I47 PolarHBondContact O-N 3Å; I45-R48 WeakPolarHBondContact O-CA 3.45Å; I45-R48 WeakPolarHBondContact O-CB 3.44Å; I45-R48 PolarHBondContact O-N 3.11Å; I45-T49 PolarHBondContact O-N 3.19Å; I45-T49 PolarHBondContact O-OG1 3.29Å; I45-F124 HydrophobicContact CG1-CE2 4.33Å
46N82.7Confident86.1Confident115 Ų11537.3 Ų37.362%0.61520%0.195SC*.Hα-helixtrans-61.8-32.7176.3-67.2-35.5000113.1N44 R50N44-N46 PolarHBondContact O-N 3Å; N44-N46 VanDerWaalsContact O-N 3.15Å; N44-N46 PolarHBondContact OD1-N 2.91Å; N46-R50 WeakPolarHBondContact O-CB 3.26Å; N46-R50 WeakPolarHBondContact O-CD 3.49Å; N46-R50 VanDerWaalsContact O-CG 3.26Å; N46-R50 WeakPolarHBondContact O-CG 3.43Å; N46-R50 PolarHBondContact O-N 2.93Å
47I87.7Confident86Confident38 Ų3839.1 Ų39.120%0.19520%0.201CC..Hα-helixtrans-78.3-35.2171.7-64.7165.4000110.8V43 N44 I45 T49 R50 I51 F80V43-I47 HydrophobicContact CB-CB 3.97Å; V43-I47 HydrophobicContact CB-CG2 3.78Å; V43-I47 HydrophobicContact CG1-CG2 4.11Å; V43-I47 HydrophobicContact CG2-CB 3.96Å; V43-I47 HydrophobicContact CG2-CG2 3.75Å; N44-I47 WeakPolarHBondContact O-CA 3.18Å; N44-I47 PolarHBondContact O-N 2.92Å; N44-I47 VanDerWaalsContact OD1-CG1 3.26Å; N44-I47 WeakPolarHBondContact OD1-CG1 3.38Å; N44-I47 PolarHBondContact OD1-N 3.33Å; I45-I47 VanDerWaalsContact C-N 3.28Å; I45-I47 PolarHBondContact O-N 3Å; I47-T49 PolarHBondContact O-N 2.81Å; I47-R50 PolarHBondContact O-N 3.28Å; I47-I51 HydrophobicContact CG2-CD1 3.85Å; I47-I51 HydrophobicContact CG2-CG1 4.15Å; I47-I51 WeakPolarHBondContact O-CG1 3.34Å; I47-I51 PolarHBondContact O-N 2.86Å; I47-F80 HydrophobicContact CG2-CD2 4.1Å; I47-F80 HydrophobicContact CG2-CE2 3.75Å; I47-F80 HydrophobicContact CG2-CZ 4.47Å
48R87.9Confident86.1Confident18 Ų1838.1 Ų38.17%0.06819%0.189CC..Hα-helixtrans-56.1-53.4174.9-53.1-175.9-171.2-157.73110.9I40 K41 V43 N44 I45 R50 I51 C52 F124 D267I40-R48 HydrophobicContact CG2-CB 3.7Å; I40-R48 HydrophobicContact CG2-CG 3.5Å; I40-R48 VanDerWaalsContact CG2-CG 3.5Å; I40-R48 WeakPolarHBondContact O-CD 3.32Å; I40-R48 VanDerWaalsContact O-CZ 3.23Å; I40-R48 PolarHBondContact O-NE 3.25Å; K41-R48 PolarHBondContact O-NH2 2.9Å; K41-R48 VanDerWaalsContact O-NH2 3.07Å; V43-R48 HydrophobicContact CG2-CG 3.66Å; V43-R48 VanDerWaalsContact O-CZ 3.24Å; V43-R48 PolarHBondContact O-NE 3.47Å; V43-R48 PolarHBondContact O-NH2 3.28Å; N44-R48 WeakPolarHBondContact O-CG 3.41Å; N44-R48 PolarHBondContact O-N 3.35Å; I45-R48 WeakPolarHBondContact O-CA 3.45Å; I45-R48 WeakPolarHBondContact O-CB 3.44Å; I45-R48 PolarHBondContact O-N 3.11Å; R48-R50 VanDerWaalsContact C-N 3.31Å; R48-R50 PolarHBondContact O-N 3.46Å; R48-I51 PolarHBondContact O-N 2.95Å; R48-C52 PolarHBondContact O-N 2.87Å; R48-F124 HydrophobicContact CB-CD1 4.05Å; R48-F124 HydrophobicContact CB-CD2 3.87Å; R48-F124 HydrophobicContact CB-CE1 3.72Å; R48-F124 HydrophobicContact CB-CE2 3.56Å; R48-F124 HydrophobicContact CB-CG 4.13Å; R48-F124 HydrophobicContact CB-CZ 3.47Å; R48-F124 VanDerWaalsContact CB-CZ 3.47Å; R48-F124 HydrophobicContact CG-CD2 4.36Å; R48-F124 HydrophobicContact CG-CE2 4.31Å; R48-D267 IonicContact CZ-OD1 3.54Å; R48-D267 IonicContact CZ-OD2 3.79Å; R48-D267 IonicContact NE-OD2 2.75Å; R48-D267 IonicContact NH1-OD1 3.18Å; R48-D267 PolarHBondContact NH1-OD1 2.96Å; R48-D267 IonicContact NH1-OD2 2.74Å; R48-D267 PolarHBondContact NH1-OD2 3.01Å
49T89.1Confident86.6Confident22 Ų2236.7 Ų36.714%0.13518%0.18CC..Hα-helixtrans-62.4-36.5177.7-47.70000112.5I45 I47 R53I45-T49 PolarHBondContact O-N 3.19Å; I45-T49 PolarHBondContact O-OG1 3.29Å; I47-T49 PolarHBondContact O-N 2.81Å; T49-R53 VanDerWaalsContact CG2-NH2 3.27Å; T49-R53 WeakPolarHBondContact O-CG 3.33Å; T49-R53 PolarHBondContact O-N 3.05Å; T49-R53 VanDerWaalsContact O-N 3.09Å
50R90.6Very high87.2Confident85 Ų8536.3 Ų36.332%0.32118%0.178SC..Hα-helixtrans-68.3-41.9175.7-84.3169.769.9-138.68.5112.4N46 I47 R48 A54 D74 S76 I77N46-R50 WeakPolarHBondContact O-CB 3.26Å; N46-R50 WeakPolarHBondContact O-CD 3.49Å; N46-R50 VanDerWaalsContact O-CG 3.26Å; N46-R50 WeakPolarHBondContact O-CG 3.43Å; N46-R50 PolarHBondContact O-N 2.93Å; I47-R50 PolarHBondContact O-N 3.28Å; R48-R50 VanDerWaalsContact C-N 3.31Å; R48-R50 PolarHBondContact O-N 3.46Å; R50-A54 WeakPolarHBondContact O-CB 3.42Å; R50-A54 PolarHBondContact O-N 3.03Å; R50-D74 IonicContact CZ-OD2 2.67Å; R50-D74 IonicContact NE-OD2 3.78Å; R50-D74 PolarHBondContact NE-OD2 3.08Å; R50-D74 IonicContact NH2-OD1 3.6Å; R50-D74 PolarHBondContact NH2-OD1 2.75Å; R50-D74 IonicContact NH2-OD2 2.81Å; R50-D74 PolarHBondContact NH2-OD2 2.81Å; R50-S76 PolarHBondContact NH2-OG 3.02Å; R50-I77 HydrophobicContact CB-CD1 3.71Å; R50-I77 HydrophobicContact CB-CG1 4.38Å; R50-I77 HydrophobicContact CG-CD1 4.39Å
51I92.2Very high87.7Confident0 Ų041.3 Ų41.30%020%0.202CC..Hα-helixtrans-57.5-53.8171.7-70.7166.6000109.6V36 T38 I40 V43 I47 R48 R53 A54 S55 I77 F80 I81V36-I51 HydrophobicContact CG1-CG2 4.11Å; V36-I51 HydrophobicContact CG2-CG2 4.48Å; T38-I51 HydrophobicContact CG2-CD1 4.35Å; I40-I51 HydrophobicContact CD1-CG2 3.94Å; V43-I51 HydrophobicContact CG2-CD1 4.1Å; I47-I51 HydrophobicContact CG2-CD1 3.85Å; I47-I51 HydrophobicContact CG2-CG1 4.15Å; I47-I51 WeakPolarHBondContact O-CG1 3.34Å; I47-I51 PolarHBondContact O-N 2.86Å; R48-I51 PolarHBondContact O-N 2.95Å; I51-R53 PolarHBondContact O-N 3.42Å; I51-A54 PolarHBondContact O-N 2.58Å; I51-A54 VanDerWaalsContact O-N 3.16Å; I51-S55 PolarHBondContact O-N 2.84Å; I51-S55 PolarHBondContact O-OG 3.4Å; I51-I77 HydrophobicContact CB-CG2 4.34Å; I51-I77 HydrophobicContact CG1-CG2 3.77Å; I51-F80 HydrophobicContact CD1-CB 3.74Å; I51-F80 HydrophobicContact CD1-CD2 3.91Å; I51-F80 HydrophobicContact CD1-CG 3.92Å; I51-F80 HydrophobicContact CG1-CB 3.97Å; I51-F80 HydrophobicContact CG1-CD2 4.06Å; I51-F80 HydrophobicContact CG1-CG 4.35Å; I51-I81 HydrophobicContact CG2-CD1 4.33Å; I51-I81 HydrophobicContact CG2-CG1 4.17Å
52C93.2Very high88.6Confident0 Ų043.1 Ų43.10%021%0.212CC..Hα-helixtrans-54.5-46.9-179.7-830000113.6R48 S55 I56 F124 C137R48-C52 PolarHBondContact O-N 2.87Å; C52-S55 WeakPolarHBondContact O-CB 3.39Å; C52-S55 PolarHBondContact O-N 3.3Å; C52-I56 WeakPolarHBondContact O-CG1 3.41Å; C52-I56 PolarHBondContact O-N 2.91Å; C52-F124 HydrophobicContact CB-CE1 4.35Å; C52-F124 VanDerWaalsContact SG-CD1 3.5Å; C52-C137 WeakPolarHBondContact CB-SG 3.37Å
53R91.9Very high89.4Confident58 Ų5843.2 Ų43.222%0.21921%0.211CC..Hα-helixtrans-66.5-39.1177.5-70.2169.9-175.4166.516.3113.2T49 I51 S55 I56 R57 G128 D129T49-R53 VanDerWaalsContact CG2-NH2 3.27Å; T49-R53 WeakPolarHBondContact O-CG 3.33Å; T49-R53 PolarHBondContact O-N 3.05Å; T49-R53 VanDerWaalsContact O-N 3.09Å; I51-R53 PolarHBondContact O-N 3.42Å; R53-S55 VanDerWaalsContact C-N 3.33Å; R53-I56 PolarHBondContact O-N 2.74Å; R53-R57 VanDerWaalsContact O-CG 3.32Å; R53-R57 WeakPolarHBondContact O-CG 3.41Å; R53-R57 PolarHBondContact O-N 3.22Å; R53-G128 PolarHBondContact NE-O 3.34Å; R53-D129 HydrophobicContact CG-CB 4.4Å
54A92Very high90Very high28 Ų2845 Ų4523%0.23123%0.233CC..Hα-helixtrans-64.9-39174.400000111.3R50 I51 R57 R58 I77 I81R50-A54 WeakPolarHBondContact O-CB 3.42Å; R50-A54 PolarHBondContact O-N 3.03Å; I51-A54 PolarHBondContact O-N 2.58Å; I51-A54 VanDerWaalsContact O-N 3.16Å; A54-R57 PolarHBondContact O-N 2.77Å; A54-R58 VanDerWaalsContact O-CB 3.27Å; A54-R58 WeakPolarHBondContact O-CB 3.28Å; A54-R58 PolarHBondContact O-N 3.01Å; A54-I77 HydrophobicContact CB-CD1 4.15Å; A54-I77 HydrophobicContact CB-CG2 3.99Å; A54-I81 HydrophobicContact CB-CD1 3.55Å
55S94.1Very high90.5Very high0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-61.8-48.8172.9-65.60000112.5I34 I51 C52 R53 R57 R58 V59 C149I34-S55 VanDerWaalsContact CG2-CB 3.48Å; I34-S55 WeakPolarHBondContact CG2-OG 3.41Å; I51-S55 PolarHBondContact O-N 2.84Å; I51-S55 PolarHBondContact O-OG 3.4Å; C52-S55 WeakPolarHBondContact O-CB 3.39Å; C52-S55 PolarHBondContact O-N 3.3Å; R53-S55 VanDerWaalsContact C-N 3.33Å; S55-R57 PolarHBondContact O-N 2.82Å; S55-R58 PolarHBondContact O-N 3.33Å; S55-V59 WeakPolarHBondContact O-CB 3.33Å; S55-V59 VanDerWaalsContact O-CG2 3.3Å; S55-V59 WeakPolarHBondContact O-CG2 3.45Å; S55-V59 PolarHBondContact O-N 3.17Å; S55-C149 WeakPolarHBondContact CB-SG 3.43Å
56I94.2Very high90.4Very high0 Ų048.8 Ų48.80%024%0.244CC..Hα-helixtrans-53.7-54.1174.9-70.3167.8000109.9C52 R53 R58 V59 C60 F135 C137 V151C52-I56 WeakPolarHBondContact O-CG1 3.41Å; C52-I56 PolarHBondContact O-N 2.91Å; R53-I56 PolarHBondContact O-N 2.74Å; I56-R58 PolarHBondContact O-N 3.04Å; I56-V59 PolarHBondContact O-N 3.17Å; I56-C60 WeakPolarHBondContact O-CB 3.31Å; I56-C60 PolarHBondContact O-N 3.42Å; I56-C60 PolarHBondContact O-SG 3.49Å; I56-F135 HydrophobicContact CD1-CB 4.37Å; I56-F135 HydrophobicContact CG2-CB 3.72Å; I56-F135 HydrophobicContact CG2-CD1 4.25Å; I56-F135 HydrophobicContact CG2-CG 4.03Å; I56-C137 HydrophobicContact CD1-CB 4.11Å; I56-C137 HydrophobicContact CG1-CB 3.83Å; I56-V151 HydrophobicContact CB-CG1 4.41Å; I56-V151 HydrophobicContact CG1-CG1 4.07Å; I56-V151 HydrophobicContact CG1-CG2 4.13Å; I56-V151 HydrophobicContact CG2-CG1 4.33Å
57R92Very high90.2Very high43 Ų4345.3 Ų45.316%0.16223%0.225CC..Hα-helixtrans-59.2-46-178.4-69176.8-176.6-174.3-3.1112.2R53 A54 S55 V59 C60 E61 L67 D129 D131R53-R57 VanDerWaalsContact O-CG 3.32Å; R53-R57 WeakPolarHBondContact O-CG 3.41Å; R53-R57 PolarHBondContact O-N 3.22Å; A54-R57 PolarHBondContact O-N 2.77Å; S55-R57 PolarHBondContact O-N 2.82Å; R57-V59 PolarHBondContact O-N 2.99Å; R57-C60 PolarHBondContact O-N 2.97Å; R57-E61 WeakPolarHBondContact O-CB 3.23Å; R57-E61 VanDerWaalsContact O-CG 3.25Å; R57-E61 WeakPolarHBondContact O-CG 3.4Å; R57-E61 PolarHBondContact O-N 2.67Å; R57-L67 HydrophobicContact CB-CD1 3.97Å; R57-L67 HydrophobicContact CG-CD1 3.76Å; R57-D129 IonicContact CZ-OD2 3.97Å; R57-D129 IonicContact NE-OD2 3.01Å; R57-D129 PolarHBondContact NE-OD2 3.02Å; R57-D129 IonicContact NH2-OD1 2.66Å; R57-D129 PolarHBondContact NH2-OD1 2.7Å; R57-D129 IonicContact NH2-OD2 3.82Å; R57-D129 PolarHBondContact NH2-OD2 3.18Å; R57-D131 IonicContact CZ-OD2 3.39Å; R57-D131 IonicContact NH2-OD2 3.48Å; R57-D131 PolarHBondContact NH2-OD2 2.99Å
58R92.3Very high89.4Confident90 Ų9048.8 Ų48.834%0.3425%0.25SS..Hα-helixtrans-64.4-39.4-178.8-164.275.1-164.484.629112.5I34 A54 S55 I56 E61 D62I34-R58 HydrophobicContact CD1-CB 3.95Å; I34-R58 HydrophobicContact CD1-CG 3.61Å; A54-R58 VanDerWaalsContact O-CB 3.27Å; A54-R58 WeakPolarHBondContact O-CB 3.28Å; A54-R58 PolarHBondContact O-N 3.01Å; S55-R58 PolarHBondContact O-N 3.33Å; I56-R58 PolarHBondContact O-N 3.04Å; R58-E61 IonicContact CZ-OE2 2.77Å; R58-E61 IonicContact NH1-OE2 3.98Å; R58-E61 PolarHBondContact NH1-OE2 3.18Å; R58-D62 IonicContact CZ-OD1 2.78Å; R58-D62 IonicContact CZ-OD2 2.66Å; R58-D62 IonicContact NH1-OD1 3.79Å; R58-D62 PolarHBondContact NH1-OD1 2.77Å; R58-D62 IonicContact NH1-OD2 2.73Å; R58-D62 IonicContact NH2-OD1 3.38Å; R58-D62 PolarHBondContact NH2-OD1 2.8Å; R58-D62 IonicContact NH2-OD2 3.41Å; R58-D62 PolarHBondContact NH2-OD2 3.06Å; R58-D62 PolarHBondContact O-N 3.14Å; R58-D62 VanDerWaalsContact O-N 3.13Å
59V94.9Very high88.4Confident0 Ų049.4 Ų49.40%026%0.257CS..Hα-helixtrans-65.4-46.8174170.60000110.8V31 I34 S55 I56 R57 E61 D62 V63 T85 M87 V151V31-V59 HydrophobicContact CB-CG1 3.99Å; V31-V59 HydrophobicContact CG1-CG1 3.72Å; I34-V59 HydrophobicContact CB-CG2 3.95Å; I34-V59 HydrophobicContact CG2-CG2 4Å; S55-V59 WeakPolarHBondContact O-CB 3.33Å; S55-V59 VanDerWaalsContact O-CG2 3.3Å; S55-V59 WeakPolarHBondContact O-CG2 3.45Å; S55-V59 PolarHBondContact O-N 3.17Å; I56-V59 PolarHBondContact O-N 3.17Å; R57-V59 PolarHBondContact O-N 2.99Å; V59-E61 PolarHBondContact O-N 3Å; V59-D62 PolarHBondContact O-N 2.83Å; V59-V63 WeakPolarHBondContact O-CG2 3.07Å; V59-V63 PolarHBondContact O-N 2.82Å; V59-T85 HydrophobicContact CB-CG2 4.25Å; V59-T85 HydrophobicContact CG2-CG2 3.63Å; V59-M87 HydrophobicContact CG1-CE 4.26Å; V59-V151 HydrophobicContact CB-CB 4.3Å; V59-V151 HydrophobicContact CB-CG2 4.04Å; V59-V151 HydrophobicContact CG1-CB 4Å; V59-V151 HydrophobicContact CG1-CG1 4.32Å; V59-V151 HydrophobicContact CG1-CG2 4.26Å; V59-V151 HydrophobicContact CG2-CB 4.46Å; V59-V151 HydrophobicContact CG2-CG2 3.84Å
60C93.4Very high87.2Confident0 Ų056.4 Ų56.40%029%0.294CS..Hα-helixtrans-60.6-43176.8-64.80000112.4I56 R57 G64 L65 L67 F135I56-C60 WeakPolarHBondContact O-CB 3.31Å; I56-C60 PolarHBondContact O-N 3.42Å; I56-C60 PolarHBondContact O-SG 3.49Å; R57-C60 PolarHBondContact O-N 2.97Å; C60-G64 PolarHBondContact O-N 2.85Å; C60-L65 HydrophobicContact CB-CB 4.05Å; C60-L65 HydrophobicContact CB-CD1 4.36Å; C60-L65 PolarHBondContact O-N 3.32Å; C60-L67 HydrophobicContact CB-CD1 3.84Å; C60-L67 HydrophobicContact CB-CD2 3.87Å; C60-L67 HydrophobicContact CB-CG 3.99Å; C60-F135 WeakPolarHBondContact SG-CE1 3.14Å
61E91.9Very high86Confident105 Ų10558.8 Ų58.849%0.49130%0.303SS..Hα-helixtrans-60.1-48.5177.2-78.5169-175.800112.8R57 R58 V59 V63 G64R57-E61 WeakPolarHBondContact O-CB 3.23Å; R57-E61 VanDerWaalsContact O-CG 3.25Å; R57-E61 WeakPolarHBondContact O-CG 3.4Å; R57-E61 PolarHBondContact O-N 2.67Å; R58-E61 IonicContact CZ-OE2 2.77Å; R58-E61 IonicContact NH1-OE2 3.98Å; R58-E61 PolarHBondContact NH1-OE2 3.18Å; V59-E61 PolarHBondContact O-N 3Å; E61-V63 VanDerWaalsContact C-N 3.3Å; E61-V63 PolarHBondContact O-N 3.22Å; E61-G64 PolarHBondContact O-N 2.9Å
62D92.3Very high84.6Confident66 Ų6663.9 Ų63.935%0.35334%0.338SS..Hα-helixtrans-70-27.9-176.6-77.6-11.8000112.7R58 V59 T85 M87R58-D62 IonicContact CZ-OD1 2.78Å; R58-D62 IonicContact CZ-OD2 2.66Å; R58-D62 IonicContact NH1-OD1 3.79Å; R58-D62 PolarHBondContact NH1-OD1 2.77Å; R58-D62 IonicContact NH1-OD2 2.73Å; R58-D62 IonicContact NH2-OD1 3.38Å; R58-D62 PolarHBondContact NH2-OD1 2.8Å; R58-D62 IonicContact NH2-OD2 3.41Å; R58-D62 PolarHBondContact NH2-OD2 3.06Å; R58-D62 PolarHBondContact O-N 3.14Å; R58-D62 VanDerWaalsContact O-N 3.13Å; V59-D62 PolarHBondContact O-N 2.83Å; D62-T85 HydrophobicContact CB-CG2 4.49Å; D62-T85 WeakPolarHBondContact CB-OG1 3.36Å; D62-T85 VanDerWaalsContact OD2-CB 3.26Å; D62-T85 WeakPolarHBondContact OD2-CB 3.32Å; D62-T85 PolarHBondContact OD2-OG1 3.37Å; D62-M87 HydrophobicContact CB-SD 4.23Å
63V91.5Very high83.4Confident45 Ų4567.1 Ų67.127%0.27337%0.365SS..Hα-helixtrans-76.7-23.7169.8173.50000112.4V31 V59 E61 L65 M87 A90 I91V31-V63 HydrophobicContact CG1-CG2 4.22Å; V59-V63 WeakPolarHBondContact O-CG2 3.07Å; V59-V63 PolarHBondContact O-N 2.82Å; E61-V63 VanDerWaalsContact C-N 3.3Å; E61-V63 PolarHBondContact O-N 3.22Å; V63-L65 HydrophobicContact CG1-CG 4.17Å; V63-M87 HydrophobicContact CG2-CE 3.74Å; V63-M87 HydrophobicContact CG2-SD 3.5Å; V63-M87 WeakPolarHBondContact CG2-SD 3.37Å; V63-A90 HydrophobicContact CG2-CB 4.3Å; V63-I91 HydrophobicContact CG1-CD1 3.74Å; V63-I91 HydrophobicContact CG1-CG1 3.4Å
64G89.3Confident82.4Confident53 Ų5367.5 Ų67.555%0.54637%0.372SS..THydrogen-bonded Turntrans93.814.6-178.900000115.3C60 E61C60-G64 PolarHBondContact O-N 2.85Å; E61-G64 PolarHBondContact O-N 2.9Å
65L86.8Confident81.8Confident51 Ų5174.2 Ų74.227%0.26740%0.395SS..  trans-67.6129.6171.6-64.3177.4000110.2V31 C60 V63 L67 I91 F135V31-L65 HydrophobicContact CG1-CD1 3.8Å; C60-L65 HydrophobicContact CB-CB 4.05Å; C60-L65 HydrophobicContact CB-CD1 4.36Å; C60-L65 PolarHBondContact O-N 3.32Å; V63-L65 HydrophobicContact CG1-CG 4.17Å; L65-L67 PolarHBondContact O-N 2.81Å; L65-I91 HydrophobicContact CD1-CD1 4.33Å; L65-F135 HydrophobicContact CD1-CE1 4.05Å; L65-F135 HydrophobicContact CD1-CZ 4.1Å
66K77.9Confident81.2Confident207 Ų20776.7 Ų76.790%0.941%0.413SS*.  trans-87.988.3-174.2-68.7-176.8-177.5173.90111.7
67L79.5Confident80.8Confident43 Ų4377.1 Ų77.123%0.22542%0.415CS..  trans-65.8143.8172.7-52.8-175.9000110.9R57 C60 L65 S69 T132R57-L67 HydrophobicContact CB-CD1 3.97Å; R57-L67 HydrophobicContact CG-CD1 3.76Å; C60-L67 HydrophobicContact CB-CD1 3.84Å; C60-L67 HydrophobicContact CB-CD2 3.87Å; C60-L67 HydrophobicContact CB-CG 3.99Å; L65-L67 PolarHBondContact O-N 2.81Å; L67-S69 PolarHBondContact O-N 3.09Å; L67-S69 VanDerWaalsContact O-N 3.1Å; L67-T132 HydrophobicContact CD1-CG2 4.02Å; L67-T132 HydrophobicContact CD2-CG2 4Å; L67-T132 HydrophobicContact CG-CG2 4.47Å
68P71.1Confident80.4Confident111 Ų11180 Ų8072%0.72143%0.43SS*.SBendtrans-72.6-4.4-171.729.4-36.5000114.4D131P68-D131 WeakPolarHBondContact CD-O 3.27Å; P68-D131 HydrophobicContact CG-CB 4.19Å; P68-D131 VanDerWaalsContact CG-O 3.26Å; P68-D131 WeakPolarHBondContact CG-O 3.33Å
69S66.8Low80.2Confident31 Ų3181.9 Ų81.922%0.21744%0.443CS..  trans-140.298.2-162-178.60000110.9L67 R71 D131L67-S69 PolarHBondContact O-N 3.09Å; L67-S69 VanDerWaalsContact O-N 3.1Å; S69-R71 PolarHBondContact O-N 2.95Å; S69-R71 WeakPolarHBondContact OG-CD 3.39Å; S69-R71 WeakPolarHBondContact OG-CG 3.43Å; S69-D131 WeakPolarHBondContact CB-OD2 3.38Å; S69-D131 VanDerWaalsContact OG-CG 3.3Å; S69-D131 PolarHBondContact OG-OD2 2.88Å
70N62.8Low80Confident168 Ų16883.7 Ų83.790%0.89845%0.451SS*.  trans-77.963.2171.3-167.4-19.9000110.3S72N70-S72 PolarHBondContact O-N 2.95Å
71R66.5Low80Confident136 Ų13684.7 Ų84.751%0.51346%0.456SS..  trans-73.6115.4169.3-86169.7175.2163.7-5.2107.9S69 A73 D129 D131S69-R71 PolarHBondContact O-N 2.95Å; S69-R71 WeakPolarHBondContact OG-CD 3.39Å; S69-R71 WeakPolarHBondContact OG-CG 3.43Å; R71-A73 PolarHBondContact O-N 2.85Å; R71-D129 IonicContact NH1-OD1 2.66Å; R71-D131 WeakPolarHBondContact CD-OD2 3.42Å; R71-D131 IonicContact CZ-OD1 2.92Å; R71-D131 IonicContact CZ-OD2 3.38Å; R71-D131 IonicContact NE-OD2 2.66Å; R71-D131 IonicContact NH1-OD1 2.72Å; R71-D131 PolarHBondContact NH1-OD1 3.02Å; R71-D131 IonicContact NH1-OD2 3.66Å; R71-D131 PolarHBondContact NH1-OD2 3.37Å; R71-D131 IonicContact NH2-OD1 3.4Å
72S63.3Low79.9Confident106 Ų10680 Ų8074%0.74144%0.435SS*.  trans-48.3133.4178.557.80000112.1N70 D74N70-S72 PolarHBondContact O-N 2.95Å; S72-D74 PolarHBondContact O-N 3.02Å
73A67Low79.7Confident69 Ų6982.5 Ų82.557%0.5746%0.456SS*.  trans-49.8133.3178.100000112R71 K75R71-A73 PolarHBondContact O-N 2.85Å; A73-K75 PolarHBondContact O-N 3.22Å
74D70.8Confident79.6Confident66 Ų6684.1 Ų84.135%0.35347%0.469SS..  trans-82.5100.3-179.1-179.6-20.9000109.1R50 S72 S76 I77R50-D74 IonicContact CZ-OD2 2.67Å; R50-D74 IonicContact NE-OD2 3.78Å; R50-D74 PolarHBondContact NE-OD2 3.08Å; R50-D74 IonicContact NH2-OD1 3.6Å; R50-D74 PolarHBondContact NH2-OD1 2.75Å; R50-D74 IonicContact NH2-OD2 2.81Å; R50-D74 PolarHBondContact NH2-OD2 2.81Å; S72-D74 PolarHBondContact O-N 3.02Å; D74-S76 PolarHBondContact O-N 3.43Å; D74-S76 WeakPolarHBondContact OD1-CB 3.21Å; D74-S76 PolarHBondContact OD1-N 3.44Å; D74-S76 VanDerWaalsContact OD1-N 3.1Å; D74-S76 PolarHBondContact OD1-OG 3.29Å; D74-I77 HydrophobicContact CB-CD1 3.6Å; D74-I77 HydrophobicContact CB-CG1 3.9Å; D74-I77 WeakPolarHBondContact O-CB 3.1Å; D74-I77 PolarHBondContact O-N 2.82Å
75K78.7Confident79.8Confident169 Ų16982.9 Ų82.974%0.73545%0.451SS*.THydrogen-bonded Turntrans-55.6-17.3-176.3-59.7-179.4-179.1-179.50114.9A73 I77A73-K75 PolarHBondContact O-N 3.22Å; K75-I77 VanDerWaalsContact C-N 3.3Å
76S82.4Confident80.1Confident52 Ų5283.4 Ų83.436%0.36445%0.454SS..THydrogen-bonded Turntrans-80.1-14174.770.70000113.5R50 D74 Q79 F80R50-S76 PolarHBondContact NH2-OG 3.02Å; D74-S76 PolarHBondContact O-N 3.43Å; D74-S76 WeakPolarHBondContact OD1-CB 3.21Å; D74-S76 PolarHBondContact OD1-N 3.44Å; D74-S76 VanDerWaalsContact OD1-N 3.1Å; D74-S76 PolarHBondContact OD1-OG 3.29Å; S76-Q79 PolarHBondContact O-NE2 2.73Å; S76-F80 WeakPolarHBondContact O-CE2 3.3Å
77I86.2Confident80.8Confident8 Ų876.7 Ų76.74%0.04143%0.426CS..THydrogen-bonded Turntrans-97.2-30.6178.7-45175000111.6R50 I51 A54 D74 K75 Q79 F80 I81R50-I77 HydrophobicContact CB-CD1 3.71Å; R50-I77 HydrophobicContact CB-CG1 4.38Å; R50-I77 HydrophobicContact CG-CD1 4.39Å; I51-I77 HydrophobicContact CB-CG2 4.34Å; I51-I77 HydrophobicContact CG1-CG2 3.77Å; A54-I77 HydrophobicContact CB-CD1 4.15Å; A54-I77 HydrophobicContact CB-CG2 3.99Å; D74-I77 HydrophobicContact CB-CD1 3.6Å; D74-I77 HydrophobicContact CB-CG1 3.9Å; D74-I77 WeakPolarHBondContact O-CB 3.1Å; D74-I77 PolarHBondContact O-N 2.82Å; K75-I77 VanDerWaalsContact C-N 3.3Å; I77-Q79 PolarHBondContact O-N 3.41Å; I77-F80 WeakPolarHBondContact O-CB 3.45Å; I77-F80 PolarHBondContact O-N 3.49Å; I77-I81 HydrophobicContact CG2-CD1 3.76Å; I77-I81 HydrophobicContact CG2-CG1 4.33Å
78E84Confident81.3Confident105 Ų10578 Ų7849%0.49144%0.436SS..G310 helixtrans-50.2-34.7-176.8-68.9173.2-173.700113.4F80 I81E78-F80 PolarHBondContact O-N 2.74Å; E78-I81 PolarHBondContact O-N 3.19Å
79Q88.2Confident82.2Confident129 Ų12978.6 Ų78.660%0.60342%0.424SS*.G310 helixtrans-64.6-16.2175.666-175.1-20.600115.4S76 I77S76-Q79 PolarHBondContact O-NE2 2.73Å; I77-Q79 PolarHBondContact O-N 3.41Å
80F90.5Very high83.4Confident38 Ų3878.5 Ų78.517%0.16743%0.425CS..G310 helixtrans-102.6-7.2-177.9-56.7-54.2000113.3V36 L37 T38 V43 I47 I51 S76 I77 E78V36-F80 CarbonylContact C-O 3.5Å; V36-F80 WeakPolarHBondContact CA-O 3.45Å; V36-F80 WeakPolarHBondContact CG1-O 3.49Å; L37-F80 PolarHBondContact N-O 2.75Å; T38-F80 HydrophobicContact CG2-CB 4.04Å; T38-F80 HydrophobicContact CG2-CD1 3.57Å; T38-F80 HydrophobicContact CG2-CE1 4.34Å; T38-F80 HydrophobicContact CG2-CG 4.06Å; V43-F80 HydrophobicContact CG1-CE1 4.28Å; V43-F80 HydrophobicContact CG1-CZ 4.32Å; I47-F80 HydrophobicContact CG2-CD2 4.1Å; I47-F80 HydrophobicContact CG2-CE2 3.75Å; I47-F80 HydrophobicContact CG2-CZ 4.47Å; I51-F80 HydrophobicContact CD1-CB 3.74Å; I51-F80 HydrophobicContact CD1-CD2 3.91Å; I51-F80 HydrophobicContact CD1-CG 3.92Å; I51-F80 HydrophobicContact CG1-CB 3.97Å; I51-F80 HydrophobicContact CG1-CD2 4.06Å; I51-F80 HydrophobicContact CG1-CG 4.35Å; S76-F80 WeakPolarHBondContact O-CE2 3.3Å; I77-F80 WeakPolarHBondContact O-CB 3.45Å; I77-F80 PolarHBondContact O-N 3.49Å; E78-F80 PolarHBondContact O-N 2.74Å
81I91.9Very high84.8Confident20 Ų2073.8 Ų73.810%0.10340%0.399CS..BIsolated β-bridgetrans-119.2142.4-171.9-61.6178.5000109.6I34 L37 I51 A54 I77 E78I34-I81 HydrophobicContact CD1-CG2 3.48Å; I34-I81 VanDerWaalsContact CD1-CG2 3.48Å; I34-I81 HydrophobicContact CG1-CG2 3.85Å; I34-I81 HydrophobicContact CG2-CG2 4.47Å; L37-I81 WeakPolarHBondContact CD1-O 3.27Å; I51-I81 HydrophobicContact CG2-CD1 4.33Å; I51-I81 HydrophobicContact CG2-CG1 4.17Å; A54-I81 HydrophobicContact CB-CD1 3.55Å; I77-I81 HydrophobicContact CG2-CD1 3.76Å; I77-I81 HydrophobicContact CG2-CG1 4.33Å; E78-I81 PolarHBondContact O-N 3.19Å
82G90.3Very high86.2Confident6 Ų669 Ų696%0.06239%0.385CS..  trans-65.4148.8-18000000112.9P35 S84P35-G82 PolarHBondContact O-N 3.44Å; G82-S84 VanDerWaalsContact C-N 3.3Å; G82-S84 PolarHBondContact O-N 3.12Å
83P87.8Confident87.8Confident120 Ų12067.3 Ų67.378%0.77937%0.368SS*.SBendtrans-73.7-21.6-177.931.2-36.8000113.5
84S90.9Very high89.3Confident78 Ų7864 Ų6455%0.54534%0.341SS..SBendtrans-123.6131.8-176.254.60000110.1P35 G82P35-S84 WeakPolarHBondContact CD-O 3.32Å; G82-S84 VanDerWaalsContact C-N 3.3Å; G82-S84 PolarHBondContact O-N 3.12Å
85T93.2Very high90.5Very high28 Ų2865.1 Ų65.117%0.17234%0.34CS..  trans-85.3145.1177.168.90000110A33 I34 V59 D62 M87A33-T85 VanDerWaalsContact O-CG2 3.29Å; A33-T85 WeakPolarHBondContact O-CG2 3.38Å; I34-T85 HydrophobicContact CB-CG2 4.3Å; V59-T85 HydrophobicContact CB-CG2 4.25Å; V59-T85 HydrophobicContact CG2-CG2 3.63Å; D62-T85 HydrophobicContact CB-CG2 4.49Å; D62-T85 WeakPolarHBondContact CB-OG1 3.36Å; D62-T85 VanDerWaalsContact OD2-CB 3.26Å; D62-T85 WeakPolarHBondContact OD2-CB 3.32Å; D62-T85 PolarHBondContact OD2-OG1 3.37Å; T85-M87 HydrophobicContact CG2-CE 3.43Å; T85-M87 VanDerWaalsContact CG2-CE 3.43Å; T85-M87 HydrophobicContact CG2-SD 4.24Å
86D93.1Very high91.4Very high61 Ų6157 Ų5733%0.32631%0.305SS..BIsolated β-bridgetrans-95.8107.2176-173.8-2.3000109.3A33 T88 M148A33-D86 HydrophobicContact CB-CB 4.45Å; A33-D86 PolarHBondContact N-O 3.01Å; A33-D86 PolarHBondContact O-N 3.24Å; D86-T88 VanDerWaalsContact OD1-CB 3.23Å; D86-T88 WeakPolarHBondContact OD1-CB 3.4Å; D86-T88 PolarHBondContact OD1-N 3.25Å; D86-T88 PolarHBondContact OD1-OG1 2.59Å; D86-M148 HydrophobicContact CB-CE 3.8Å
87M91.8Very high92.2Very high66 Ų6655.9 Ų55.933%0.32530%0.296SS..  trans-97.612.1-177.5-52.3-79.670.300112.4V59 D62 V63 T85 W89 A90V59-M87 HydrophobicContact CG1-CE 4.26Å; D62-M87 HydrophobicContact CB-SD 4.23Å; V63-M87 HydrophobicContact CG2-CE 3.74Å; V63-M87 HydrophobicContact CG2-SD 3.5Å; V63-M87 WeakPolarHBondContact CG2-SD 3.37Å; T85-M87 HydrophobicContact CG2-CE 3.43Å; T85-M87 VanDerWaalsContact CG2-CE 3.43Å; T85-M87 HydrophobicContact CG2-SD 4.24Å; M87-W89 PolarHBondContact O-N 2.98Å; M87-W89 VanDerWaalsContact O-N 3.17Å; M87-A90 HydrophobicContact CB-CB 4.09Å; M87-A90 HydrophobicContact CE-CB 4.23Å; M87-A90 WeakPolarHBondContact O-CB 3.12Å; M87-A90 PolarHBondContact O-N 2.94Å; M87-A90 HydrophobicContact SD-CB 4.47Å
88T89.2Confident92.7Very high71 Ų7155.5 Ų55.544%0.43629%0.294SS..THydrogen-bonded Turntrans-63.1118.2175.4-47.20000108.7Y30 D86 A90Y30-T88 WeakPolarHBondContact CE1-O 3.48Å; D86-T88 VanDerWaalsContact OD1-CB 3.23Å; D86-T88 WeakPolarHBondContact OD1-CB 3.4Å; D86-T88 PolarHBondContact OD1-N 3.25Å; D86-T88 PolarHBondContact OD1-OG1 2.59Å; T88-A90 VanDerWaalsContact C-N 3.31Å; T88-A90 PolarHBondContact O-N 3.33Å
89W90.1Very high93.2Very high124 Ų12450.9 Ų50.947%0.4727%0.273SS..THydrogen-bonded Turntrans62.324.1-171.6-41-74.3000116.1Y30 M87 V92 L114 F115Y30-W89 HydrophobicContact CD1-CB 4.21Å; Y30-W89 WeakPolarHBondContact CD1-O 3.39Å; Y30-W89 HydrophobicContact CE1-CB 4.28Å; M87-W89 PolarHBondContact O-N 2.98Å; M87-W89 VanDerWaalsContact O-N 3.17Å; W89-V92 HydrophobicContact CB-CG2 4.16Å; W89-V92 WeakPolarHBondContact O-CB 3.38Å; W89-V92 VanDerWaalsContact O-CG2 3.25Å; W89-V92 WeakPolarHBondContact O-CG2 3.4Å; W89-L114 HydrophobicContact CB-CD1 3.89Å; W89-L114 HydrophobicContact CB-CD2 4.37Å; W89-L114 HydrophobicContact CD2-CB 4.39Å; W89-L114 HydrophobicContact CD2-CD1 4.47Å; W89-L114 HydrophobicContact CD2-CD2 3.94Å; W89-L114 HydrophobicContact CE3-CB 4.36Å; W89-L114 HydrophobicContact CG-CD1 4.11Å; W89-L114 HydrophobicContact CG-CD2 3.76Å; W89-L114 HydrophobicContact CG-CG 4.45Å; W89-F115 HydrophobicContact CE3-CD1 4.3Å; W89-F115 HydrophobicContact CE3-CE1 4.41Å; W89-F115 HydrophobicContact CZ3-CD1 4.1Å
90A92.2Very high93.4Very high28 Ų2844.9 Ų44.923%0.23125%0.245CC..THydrogen-bonded Turntrans-60.2140.1172.400000112.7V31 V63 M87 T88 V92V31-A90 WeakPolarHBondContact O-CA 3.46Å; V31-A90 WeakPolarHBondContact O-CB 3.43Å; V63-A90 HydrophobicContact CG2-CB 4.3Å; M87-A90 HydrophobicContact CB-CB 4.09Å; M87-A90 HydrophobicContact CE-CB 4.23Å; M87-A90 WeakPolarHBondContact O-CB 3.12Å; M87-A90 PolarHBondContact O-N 2.94Å; M87-A90 HydrophobicContact SD-CB 4.47Å; T88-A90 VanDerWaalsContact C-N 3.31Å; T88-A90 PolarHBondContact O-N 3.33Å; A90-V92 VanDerWaalsContact C-N 3.34Å
91I93.8Very high93.3Very high69 Ų6948.4 Ų48.435%0.35426%0.262SS..THydrogen-bonded Turntrans58.745-179.1-54.7-64.1000111.6Q29 Y30 V31 V63 L65Q29-I91 HydrophobicContact CG-CD1 4.45Å; Y30-I91 WeakPolarHBondContact O-CA 3.4Å; Y30-I91 PolarHBondContact O-N 3.44Å; V31-I91 HydrophobicContact CG1-CD1 4.16Å; V63-I91 HydrophobicContact CG1-CD1 3.74Å; V63-I91 HydrophobicContact CG1-CG1 3.4Å; L65-I91 HydrophobicContact CD1-CD1 4.33Å
92V94.8Very high93.4Very high36 Ų3648.3 Ų48.322%0.21826%0.263CS..EExtended strand (participates in β ladder)trans-109.5132.6170.4176.40000109Y30 W89 A90 V94 T107Y30-V92 PolarHBondContact N-O 3.09Å; Y30-V92 PolarHBondContact O-N 3.46Å; W89-V92 HydrophobicContact CB-CG2 4.16Å; W89-V92 WeakPolarHBondContact O-CB 3.38Å; W89-V92 VanDerWaalsContact O-CG2 3.25Å; W89-V92 WeakPolarHBondContact O-CG2 3.4Å; A90-V92 VanDerWaalsContact C-N 3.34Å; V92-V94 HydrophobicContact CG1-CG1 4.16Å; V92-T107 HydrophobicContact CG1-CG2 3.85Å
93N96.9Very high93.6Very high71 Ų7148 Ų4838%0.3826%0.26SS..EExtended strand (participates in β ladder)trans-76.3129.3174.4-62.8-3.6000109.4L28 Q29 I108L28-N93 WeakPolarHBondContact O-CA 3.39Å; Q29-N93 PolarHBondContact NE2-OD1 3.32Å; N93-I108 HydrophobicContact CB-CD1 3.88Å; N93-I108 HydrophobicContact CB-CG1 4.37Å; N93-I108 PolarHBondContact O-N 3.36Å; N93-I108 VanDerWaalsContact O-N 3.12Å
94V97.8Very high94.1Very high0 Ų043 Ų430%023%0.227CC..EExtended strand (participates in β ladder)trans-135.4150.6-169.3-65.60000112.3L28 V92 V105 E106 L114 F152L28-V94 HydrophobicContact CB-CG2 4.26Å; L28-V94 PolarHBondContact N-O 2.64Å; L28-V94 PolarHBondContact O-N 3.41Å; L28-V94 VanDerWaalsContact O-O 3.09Å; V92-V94 HydrophobicContact CG1-CG1 4.16Å; V94-V105 HydrophobicContact CB-CG1 3.8Å; V94-V105 HydrophobicContact CG1-CG1 3.82Å; V94-V105 HydrophobicContact CG2-CG1 3.97Å; V94-E106 CarbonylContact C-O 3.45Å; V94-E106 WeakPolarHBondContact CA-O 3.18Å; V94-E106 VanDerWaalsContact CB-O 3.31Å; V94-E106 WeakPolarHBondContact CB-O 3.43Å; V94-L114 HydrophobicContact CG1-CD1 3.69Å; V94-F152 HydrophobicContact CG2-CD1 4.15Å; V94-F152 HydrophobicContact CG2-CE1 4.18Å
95Y97.7Very high94.3Very high88 Ų8839.2 Ų39.235%0.34520%0.201SC..EExtended strand (participates in β ladder)trans-87.6119.4159.2-69.8-54.9000109.2T25 F26 E27 V105 E106 I108T25-Y95 HydrophobicContact CG2-CD1 3.68Å; T25-Y95 HydrophobicContact CG2-CG 3.89Å; F26-Y95 WeakPolarHBondContact O-CA 3.44Å; E27-Y95 HydrophobicContact CB-CD1 4.44Å; E27-Y95 HydrophobicContact CB-CE1 4.25Å; Y95-V105 WeakPolarHBondContact O-CA 3.18Å; Y95-E106 PolarHBondContact N-O 3.03Å; Y95-E106 PolarHBondContact O-N 3.16Å; Y95-I108 HydrophobicContact CD1-CD1 4.47Å; Y95-I108 HydrophobicContact CD1-CG1 4.25Å; Y95-I108 HydrophobicContact CD2-CB 4.48Å; Y95-I108 HydrophobicContact CD2-CG1 3.89Å; Y95-I108 HydrophobicContact CE1-CD1 4.25Å; Y95-I108 HydrophobicContact CE1-CG1 4.18Å; Y95-I108 HydrophobicContact CE2-CB 4.09Å; Y95-I108 HydrophobicContact CE2-CG1 3.81Å; Y95-I108 HydrophobicContact CE2-CG2 3.95Å; Y95-I108 HydrophobicContact CG-CG1 4.11Å
96L97.6Very high94.5Very high0 Ų041.2 Ų41.20%021%0.208CC..EExtended strand (participates in β ladder)trans-95.1107.4165.9173.163.6000108.5T25 F26 L28 I98 L103 T104 V105 V162T25-L96 WeakPolarHBondContact CA-O 3.3Å; F26-L96 PolarHBondContact N-O 3.4Å; F26-L96 PolarHBondContact O-N 2.9Å; L28-L96 HydrophobicContact CD1-CB 3.76Å; L28-L96 HydrophobicContact CD1-CD2 3.63Å; L28-L96 HydrophobicContact CD1-CG 4.34Å; L96-I98 HydrophobicContact CD2-CD1 4.41Å; L96-I98 HydrophobicContact CD2-CG1 4.46Å; L96-I98 HydrophobicContact CG-CD1 4.48Å; L96-I98 HydrophobicContact CG-CG1 4.12Å; L96-L103 HydrophobicContact CD1-CB 4.31Å; L96-T104 WeakPolarHBondContact CA-O 3.43Å; L96-V105 HydrophobicContact CD1-CG2 3.72Å; L96-V162 HydrophobicContact CD2-CG1 3.97Å
97T97.4Very high94.7Very high28 Ų2838.9 Ų38.917%0.17220%0.196CC..EExtended strand (participates in β ladder)trans-97.8125.4175.3-60.70000110.2V24 T25 T99 T104V24-T97 WeakPolarHBondContact O-CA 3.44Å; T25-T97 WeakPolarHBondContact CG2-OG1 3.28Å; T25-T97 PolarHBondContact OG1-OG1 2.86Å; T97-T99 HydrophobicContact CG2-CG2 4.44Å; T97-T104 PolarHBondContact N-O 2.73Å; T97-T104 PolarHBondContact O-N 2.98Å
98I96.8Very high94.8Very high0 Ų037.8 Ų37.80%019%0.191CC..EExtended strand (participates in β ladder)trans-111.8128.1-174.1-58.4161.1000109.4L18 G23 V24 F26 L96 L103 V162 T165 I166 A169L18-I98 HydrophobicContact CD2-CB 4.43Å; L18-I98 HydrophobicContact CD2-CG2 4.11Å; L18-I98 WeakPolarHBondContact CD2-O 3.4Å; G23-I98 VanDerWaalsContact CA-O 3.28Å; G23-I98 WeakPolarHBondContact CA-O 3.43Å; V24-I98 PolarHBondContact N-O 3.14Å; V24-I98 PolarHBondContact O-N 3.17Å; F26-I98 HydrophobicContact CD2-CD1 3.8Å; F26-I98 HydrophobicContact CE2-CD1 3.74Å; L96-I98 HydrophobicContact CD2-CD1 4.41Å; L96-I98 HydrophobicContact CD2-CG1 4.46Å; L96-I98 HydrophobicContact CG-CD1 4.48Å; L96-I98 HydrophobicContact CG-CG1 4.12Å; I98-L103 HydrophobicContact CB-CD2 4.23Å; I98-L103 HydrophobicContact CG1-CD2 3.95Å; I98-L103 HydrophobicContact CG2-CD2 3.89Å; I98-V162 HydrophobicContact CD1-CG1 4.2Å; I98-T165 HydrophobicContact CB-CG2 4.43Å; I98-T165 HydrophobicContact CD1-CG2 3.96Å; I98-T165 HydrophobicContact CG2-CG2 4.27Å; I98-I166 HydrophobicContact CD1-CD1 4.37Å; I98-I166 HydrophobicContact CD1-CG1 3.55Å; I98-I166 HydrophobicContact CG1-CG1 4.02Å; I98-I166 HydrophobicContact CG2-CG1 4.28Å; I98-A169 HydrophobicContact CG2-CB 3.61Å
99T95.6Very high95Very high7 Ų741.3 Ų41.34%0.04321%0.207CC..  trans-136.4166.6176.875.70000110.1L18 A22 T97 Q101 T102L18-T99 CarbonylContact O-C 3.3Å; A22-T99 WeakPolarHBondContact O-CG2 3.48Å; T97-T99 HydrophobicContact CG2-CG2 4.44Å; T99-Q101 PolarHBondContact O-N 2.68Å; T99-Q101 VanDerWaalsContact O-N 3.08Å; T99-Q101 PolarHBondContact OG1-N 3.08Å; T99-T102 PolarHBondContact N-O 3.05Å; T99-T102 PolarHBondContact OG1-N 3.1Å; T99-T102 PolarHBondContact OG1-O 2.79Å; T99-T102 VanDerWaalsContact OG1-O 3.08Å; T99-T102 PolarHBondContact OG1-OG1 3.04Å
100S91.1Very high95.1Very high4 Ų440.7 Ų40.73%0.02821%0.213CC..SBendtrans-63.8-11.3176.276.50000113.7L18 L119 G173 D176L18-S100 VanDerWaalsContact O-CB 3.32Å; L18-S100 WeakPolarHBondContact O-CB 3.38Å; L18-S100 PolarHBondContact O-N 3Å; S100-L119 VanDerWaalsContact O-CD2 3.31Å; S100-L119 WeakPolarHBondContact O-CD2 3.46Å; S100-G173 WeakPolarHBondContact O-CA 3.42Å; S100-D176 WeakPolarHBondContact CB-OD2 3.32Å; S100-D176 PolarHBondContact OG-OD2 2.75Å
101Q88.8Confident95.1Very high111 Ų11141.7 Ų41.752%0.51923%0.226SC..SBendtrans-116-29.6-178.7-65.2-172.51200114.2A20 T99 L119A20-Q101 HydrophobicContact CB-CB 4.33Å; A20-Q101 HydrophobicContact CB-CG 3.76Å; T99-Q101 PolarHBondContact O-N 2.68Å; T99-Q101 VanDerWaalsContact O-N 3.08Å; T99-Q101 PolarHBondContact OG1-N 3.08Å; Q101-L119 WeakPolarHBondContact O-CB 3.31Å; Q101-L119 PolarHBondContact O-N 3.01Å
102T94Very high95.1Very high19 Ų1941.8 Ų41.812%0.11723%0.23CC..EExtended strand (participates in β ladder)trans-147.2151.5-173.2640000114.1T99 T104 Q116 H117T99-T102 PolarHBondContact N-O 3.05Å; T99-T102 PolarHBondContact OG1-N 3.1Å; T99-T102 PolarHBondContact OG1-O 2.79Å; T99-T102 VanDerWaalsContact OG1-O 3.08Å; T99-T102 PolarHBondContact OG1-OG1 3.04Å; T102-T104 PolarHBondContact OG1-OG1 3.12Å; T102-Q116 HydrophobicContact CG2-CG 4.19Å; T102-Q116 PolarHBondContact OG1-NE2 2.92Å; T102-H117 CarbonylContact C-O 3.55Å; T102-H117 VanDerWaalsContact CA-O 3.29Å; T102-H117 WeakPolarHBondContact CA-O 3.41Å
103L95.8Very high95.1Very high0 Ų044.2 Ų44.20%024%0.241CC..EExtended strand (participates in β ladder)trans-104117.8159.8-57-175000108L96 I98 Q116 H117 L119 V122 Y138 I166L96-L103 HydrophobicContact CD1-CB 4.31Å; I98-L103 HydrophobicContact CB-CD2 4.23Å; I98-L103 HydrophobicContact CG1-CD2 3.95Å; I98-L103 HydrophobicContact CG2-CD2 3.89Å; L103-Q116 WeakPolarHBondContact O-CA 3.47Å; L103-H117 PolarHBondContact N-O 3.44Å; L103-H117 PolarHBondContact O-N 3.05Å; L103-L119 HydrophobicContact CD1-CD1 4.45Å; L103-L119 HydrophobicContact CD2-CD1 3.78Å; L103-L119 HydrophobicContact CG-CD1 3.86Å; L103-V122 HydrophobicContact CD1-CG2 3.85Å; L103-V122 HydrophobicContact CG-CG2 4.46Å; L103-Y138 HydrophobicContact CD1-CD1 3.88Å; L103-Y138 HydrophobicContact CD1-CD2 4.17Å; L103-Y138 HydrophobicContact CD1-CE1 3.8Å; L103-Y138 HydrophobicContact CD1-CE2 4.12Å; L103-Y138 HydrophobicContact CD1-CG 4.06Å; L103-I166 HydrophobicContact CD1-CG2 4.48Å; L103-I166 HydrophobicContact CD2-CG1 4.31Å; L103-I166 HydrophobicContact CD2-CG2 4.34Å
104T96.7Very high94.9Very high13 Ų1341.6 Ų41.68%0.0823%0.227CC..EExtended strand (participates in β ladder)trans-114.3130.8-175.1-50.40000109.4L96 T97 T102 E106 L113 Q116L96-T104 WeakPolarHBondContact CA-O 3.43Å; T97-T104 PolarHBondContact N-O 2.73Å; T97-T104 PolarHBondContact O-N 2.98Å; T102-T104 PolarHBondContact OG1-OG1 3.12Å; T104-E106 HydrophobicContact CG2-CG 4.36Å; T104-L113 HydrophobicContact CG2-CD1 3.46Å; T104-L113 VanDerWaalsContact CG2-CD1 3.46Å; T104-Q116 HydrophobicContact CG2-CG 4.33Å; T104-Q116 PolarHBondContact OG1-NE2 3.36Å
105V97Very high94.7Very high0 Ų042.8 Ų42.80%023%0.232CC..EExtended strand (participates in β ladder)trans-122.7113.7-177.3-179.60000110.7V94 Y95 L96 L114 F115 F152V94-V105 HydrophobicContact CB-CG1 3.8Å; V94-V105 HydrophobicContact CG1-CG1 3.82Å; V94-V105 HydrophobicContact CG2-CG1 3.97Å; Y95-V105 WeakPolarHBondContact O-CA 3.18Å; L96-V105 HydrophobicContact CD1-CG2 3.72Å; V105-L114 HydrophobicContact CG1-CB 4.48Å; V105-L114 HydrophobicContact CG1-CD1 4.25Å; V105-L114 PolarHBondContact O-N 3.27Å; V105-F115 HydrophobicContact CB-CD2 3.97Å; V105-F115 HydrophobicContact CB-CE2 3.7Å; V105-F115 HydrophobicContact CB-CZ 4.04Å; V105-F115 HydrophobicContact CG1-CE1 4.45Å; V105-F115 HydrophobicContact CG1-CE2 4.16Å; V105-F115 HydrophobicContact CG1-CZ 3.99Å; V105-F115 HydrophobicContact CG2-CD2 4.01Å; V105-F115 HydrophobicContact CG2-CE2 3.47Å; V105-F115 VanDerWaalsContact CG2-CE2 3.47Å; V105-F115 HydrophobicContact CG2-CZ 4.09Å; V105-F115 PolarHBondContact N-O 3Å; V105-F152 HydrophobicContact CG1-CE1 4.2Å; V105-F152 HydrophobicContact CG2-CE1 4.11Å; V105-F152 HydrophobicContact CG2-CZ 4.05Å
106E96.5Very high94.5Very high70 Ų7043.6 Ų43.633%0.32724%0.239SC..EExtended strand (participates in β ladder)trans-122.9146.5-176.1-70.9170.7-175.900111V94 Y95 T104 V112 L113V94-E106 CarbonylContact C-O 3.45Å; V94-E106 WeakPolarHBondContact CA-O 3.18Å; V94-E106 VanDerWaalsContact CB-O 3.31Å; V94-E106 WeakPolarHBondContact CB-O 3.43Å; Y95-E106 PolarHBondContact N-O 3.03Å; Y95-E106 PolarHBondContact O-N 3.16Å; T104-E106 HydrophobicContact CG2-CG 4.36Å; E106-V112 CarbonylContact C-O 3.6Å; E106-V112 WeakPolarHBondContact CA-O 3.46Å; E106-L113 HydrophobicContact CG-CB 4.23Å; E106-L113 HydrophobicContact CG-CD1 3.94Å
107T96.6Very high94.3Very high12 Ų1244.2 Ų44.27%0.07424%0.242CC..EExtended strand (participates in β ladder)trans-70.5140.7175.255.70000112.2V92 N110 G111 V112 L114V92-T107 HydrophobicContact CG1-CG2 3.85Å; T107-N110 PolarHBondContact OG1-OD1 3.43Å; T107-G111 VanDerWaalsContact O-CA 3.3Å; T107-G111 WeakPolarHBondContact O-CA 3.35Å; T107-G111 PolarHBondContact O-N 2.95Å; T107-V112 HydrophobicContact CG2-CB 4.43Å; T107-V112 PolarHBondContact N-O 2.86Å; T107-V112 WeakPolarHBondContact OG1-CB 3.34Å; T107-V112 PolarHBondContact OG1-N 3.09Å; T107-V112 PolarHBondContact OG1-O 3.31Å; T107-L114 HydrophobicContact CG2-CD1 4.21Å; T107-L114 HydrophobicContact CG2-CD2 3.6Å; T107-L114 HydrophobicContact CG2-CG 3.96Å
108I95.4Very high93.9Very high42 Ų4246 Ų4622%0.21525%0.25CS..THydrogen-bonded Turntrans-69.1-40.3177.7-61-178.1000111.6E27 N93 Y95 N110E27-I108 HydrophobicContact CB-CD1 4.35Å; E27-I108 HydrophobicContact CG-CD1 3.61Å; E27-I108 WeakPolarHBondContact OE1-CD1 3.26Å; N93-I108 HydrophobicContact CB-CD1 3.88Å; N93-I108 HydrophobicContact CB-CG1 4.37Å; N93-I108 PolarHBondContact O-N 3.36Å; N93-I108 VanDerWaalsContact O-N 3.12Å; Y95-I108 HydrophobicContact CD1-CD1 4.47Å; Y95-I108 HydrophobicContact CD1-CG1 4.25Å; Y95-I108 HydrophobicContact CD2-CB 4.48Å; Y95-I108 HydrophobicContact CD2-CG1 3.89Å; Y95-I108 HydrophobicContact CE1-CD1 4.25Å; Y95-I108 HydrophobicContact CE1-CG1 4.18Å; Y95-I108 HydrophobicContact CE2-CB 4.09Å; Y95-I108 HydrophobicContact CE2-CG1 3.81Å; Y95-I108 HydrophobicContact CE2-CG2 3.95Å; Y95-I108 HydrophobicContact CG-CG1 4.11Å; I108-N110 VanDerWaalsContact C-N 3.29Å; I108-N110 PolarHBondContact O-N 2.97Å
109D92.8Very high93.4Very high145 Ų14546.3 Ų46.378%0.77525%0.252SS*.THydrogen-bonded Turntrans-63.1-31.2-172.1-63.7-40.4000114.2
110N92.2Very high92.9Very high112 Ų11251.3 Ų51.360%0.59927%0.273SS*.THydrogen-bonded Turntrans-152.39.7-171.262.2-10.6000115.9T107 I108 V112T107-N110 PolarHBondContact OG1-OD1 3.43Å; I108-N110 VanDerWaalsContact C-N 3.29Å; I108-N110 PolarHBondContact O-N 2.97Å; N110-V112 VanDerWaalsContact C-N 3.29Å; N110-V112 PolarHBondContact O-N 3.07Å
111G91.8Very high92.7Very high48 Ų4852.1 Ų52.150%0.49528%0.277SS..  trans63.431.417500000114T107T107-G111 VanDerWaalsContact O-CA 3.3Å; T107-G111 WeakPolarHBondContact O-CA 3.35Å; T107-G111 PolarHBondContact O-N 2.95Å
112V93.5Very high92.7Very high72 Ų7246.9 Ų46.944%0.43625%0.253SS..  trans-85.8116.2178.21730000108.9E106 T107 N110 L114E106-V112 CarbonylContact C-O 3.6Å; E106-V112 WeakPolarHBondContact CA-O 3.46Å; T107-V112 HydrophobicContact CG2-CB 4.43Å; T107-V112 PolarHBondContact N-O 2.86Å; T107-V112 WeakPolarHBondContact OG1-CB 3.34Å; T107-V112 PolarHBondContact OG1-N 3.09Å; T107-V112 PolarHBondContact OG1-O 3.31Å; N110-V112 VanDerWaalsContact C-N 3.29Å; N110-V112 PolarHBondContact O-N 3.07Å; V112-L114 PolarHBondContact O-N 3.2Å; V112-L114 VanDerWaalsContact O-N 3.17Å
113L95.2Very high92.4Very high86 Ų8646 Ų4645%0.4525%0.248SC..EExtended strand (participates in β ladder)trans-58115.1169.8-177.865.2000110.2T104 E106 F115 Q116T104-L113 HydrophobicContact CG2-CD1 3.46Å; T104-L113 VanDerWaalsContact CG2-CD1 3.46Å; E106-L113 HydrophobicContact CG-CB 4.23Å; E106-L113 HydrophobicContact CG-CD1 3.94Å; L113-F115 WeakPolarHBondContact CD1-O 3.44Å; L113-Q116 HydrophobicContact CD1-CB 4.33Å
114L93.2Very high92.2Very high16 Ų1646 Ų468%0.08425%0.248CC..EExtended strand (participates in β ladder)trans-80.5-49.3173.4-59.4-173.1000110.2W89 V94 V105 T107 V112W89-L114 HydrophobicContact CB-CD1 3.89Å; W89-L114 HydrophobicContact CB-CD2 4.37Å; W89-L114 HydrophobicContact CD2-CB 4.39Å; W89-L114 HydrophobicContact CD2-CD1 4.47Å; W89-L114 HydrophobicContact CD2-CD2 3.94Å; W89-L114 HydrophobicContact CE3-CB 4.36Å; W89-L114 HydrophobicContact CG-CD1 4.11Å; W89-L114 HydrophobicContact CG-CD2 3.76Å; W89-L114 HydrophobicContact CG-CG 4.45Å; V94-L114 HydrophobicContact CG1-CD1 3.69Å; V105-L114 HydrophobicContact CG1-CB 4.48Å; V105-L114 HydrophobicContact CG1-CD1 4.25Å; V105-L114 PolarHBondContact O-N 3.27Å; T107-L114 HydrophobicContact CG2-CD1 4.21Å; T107-L114 HydrophobicContact CG2-CD2 3.6Å; T107-L114 HydrophobicContact CG2-CG 3.96Å; V112-L114 PolarHBondContact O-N 3.2Å; V112-L114 VanDerWaalsContact O-N 3.17Å
115F93.5Very high92.1Very high26 Ų2645.4 Ų45.411%0.11424%0.244CC..EExtended strand (participates in β ladder)trans-164157.2177.345.8-95.7000111.3Y30 W89 V105 L113 H117 Y150 F152Y30-F115 HydrophobicContact CD1-CE1 4.29Å; Y30-F115 HydrophobicContact CD1-CZ 4.47Å; Y30-F115 HydrophobicContact CD2-CZ 4.16Å; Y30-F115 AromaticContact CE1-CE1 3.82Å; Y30-F115 HydrophobicContact CE1-CE1 3.82Å; Y30-F115 HydrophobicContact CE1-CZ 4.17Å; Y30-F115 HydrophobicContact CE2-CE1 4.29Å; Y30-F115 AromaticContact CE2-CZ 3.83Å; Y30-F115 HydrophobicContact CE2-CZ 3.83Å; Y30-F115 HydrophobicContact CG-CZ 4.47Å; Y30-F115 AromaticContact CZ-CE1 3.82Å; Y30-F115 AromaticContact CZ-CZ 3.84Å; W89-F115 HydrophobicContact CE3-CD1 4.3Å; W89-F115 HydrophobicContact CE3-CE1 4.41Å; W89-F115 HydrophobicContact CZ3-CD1 4.1Å; V105-F115 HydrophobicContact CB-CD2 3.97Å; V105-F115 HydrophobicContact CB-CE2 3.7Å; V105-F115 HydrophobicContact CB-CZ 4.04Å; V105-F115 HydrophobicContact CG1-CE1 4.45Å; V105-F115 HydrophobicContact CG1-CE2 4.16Å; V105-F115 HydrophobicContact CG1-CZ 3.99Å; V105-F115 HydrophobicContact CG2-CD2 4.01Å; V105-F115 HydrophobicContact CG2-CE2 3.47Å; V105-F115 VanDerWaalsContact CG2-CE2 3.47Å; V105-F115 HydrophobicContact CG2-CZ 4.09Å; V105-F115 PolarHBondContact N-O 3Å; L113-F115 WeakPolarHBondContact CD1-O 3.44Å; F115-H117 AromaticContact CD2-CE1 3.33Å; F115-H117 WeakPolarHBondContact CD2-CE1 3.48Å; F115-H117 AromaticContact CD2-ND1 3.65Å; F115-H117 AromaticContact CE2-CE1 3.82Å; F115-Y150 HydrophobicContact CE1-CD1 4.45Å; F115-Y150 AromaticContact CE2-CD1 3.94Å; F115-Y150 HydrophobicContact CE2-CD1 3.94Å; F115-Y150 HydrophobicContact CE2-CE1 4.24Å; F115-Y150 AromaticContact CZ-CD1 3.82Å; F115-Y150 HydrophobicContact CZ-CD1 3.82Å; F115-Y150 HydrophobicContact CZ-CE1 4.23Å; F115-F152 HydrophobicContact CE2-CZ 4.31Å; F115-F152 HydrophobicContact CZ-CZ 4.23Å
116Q93.4Very high91.9Very high105 Ų10545.4 Ų45.449%0.49124%0.244SC..EExtended strand (participates in β ladder)trans-131.8126.9173.1-173.4173.935.800108.7T102 L103 T104 L113T102-Q116 HydrophobicContact CG2-CG 4.19Å; T102-Q116 PolarHBondContact OG1-NE2 2.92Å; L103-Q116 WeakPolarHBondContact O-CA 3.47Å; T104-Q116 HydrophobicContact CG2-CG 4.33Å; T104-Q116 PolarHBondContact OG1-NE2 3.36Å; L113-Q116 HydrophobicContact CD1-CB 4.33Å
117H92.2Very high91.7Very high13 Ų1342.6 Ų42.66%0.0623%0.233CC..EExtended strand (participates in β ladder)trans-109.3126.4176.3-64.7113.8000109.9T102 L103 F115 L119 V122 Y138 A140 Y150T102-H117 CarbonylContact C-O 3.55Å; T102-H117 VanDerWaalsContact CA-O 3.29Å; T102-H117 WeakPolarHBondContact CA-O 3.41Å; L103-H117 PolarHBondContact N-O 3.44Å; L103-H117 PolarHBondContact O-N 3.05Å; F115-H117 AromaticContact CD2-CE1 3.33Å; F115-H117 WeakPolarHBondContact CD2-CE1 3.48Å; F115-H117 AromaticContact CD2-ND1 3.65Å; F115-H117 AromaticContact CE2-CE1 3.82Å; H117-L119 PolarHBondContact O-N 2.83Å; H117-V122 HydrophobicContact CB-CG2 4.14Å; H117-Y138 AromaticContact ND1-CE2 3.63Å; H117-Y138 AromaticContact ND1-CZ 3.72Å; H117-Y138 PolarHBondContact ND1-OH 3.09Å; H117-A140 HydrophobicContact CB-CB 4.4Å; H117-Y150 AromaticContact CE1-CD2 3.99Å; H117-Y150 AromaticContact CE1-CE1 3.6Å; H117-Y150 AromaticContact CE1-CE2 3.44Å; H117-Y150 VanDerWaalsContact CE1-CE2 3.44Å; H117-Y150 WeakPolarHBondContact CE1-CE2 3.37Å; H117-Y150 AromaticContact CE1-CZ 3.24Å; H117-Y150 AromaticContact NE2-CE2 3.69Å; H117-Y150 AromaticContact NE2-CZ 3.41Å; H117-Y150 PolarHBondContact NE2-OH 2.82Å
118N89Confident91.3Very high65 Ų6542.2 Ų42.235%0.34823%0.23SC..EExtended strand (participates in β ladder)trans-60.7133.9166.8-69.9-59.9000109.6F120 L121 V122N118-F120 HydrophobicContact CB-CD1 3.75Å; N118-F120 HydrophobicContact CB-CE1 3.38Å; N118-F120 HydrophobicContact CB-CE2 4.29Å; N118-F120 HydrophobicContact CB-CG 4.35Å; N118-F120 HydrophobicContact CB-CZ 3.66Å; N118-F120 PolarHBondContact O-N 3.35Å; N118-L121 HydrophobicContact CB-CD1 4.14Å; N118-L121 HydrophobicContact CB-CG 4.15Å; N118-L121 WeakPolarHBondContact O-CB 3.49Å; N118-L121 PolarHBondContact O-N 3.32Å; N118-V122 PolarHBondContact O-N 3.19Å
119L88.2Confident90.9Very high6 Ų641 Ų413%0.03123%0.225CC..G310 helixtrans-60.4-33.6-173.9-163.370000111.1S100 Q101 L103 H117 L121 V122 A169 F170S100-L119 VanDerWaalsContact O-CD2 3.31Å; S100-L119 WeakPolarHBondContact O-CD2 3.46Å; Q101-L119 WeakPolarHBondContact O-CB 3.31Å; Q101-L119 PolarHBondContact O-N 3.01Å; L103-L119 HydrophobicContact CD1-CD1 4.45Å; L103-L119 HydrophobicContact CD2-CD1 3.78Å; L103-L119 HydrophobicContact CG-CD1 3.86Å; H117-L119 PolarHBondContact O-N 2.83Å; L119-L121 VanDerWaalsContact C-N 3.29Å; L119-L121 PolarHBondContact O-N 2.78Å; L119-V122 WeakPolarHBondContact O-CB 3.47Å; L119-V122 PolarHBondContact O-N 3.22Å; L119-A169 HydrophobicContact CD2-CB 3.96Å; L119-A169 VanDerWaalsContact CD2-O 3.32Å; L119-A169 WeakPolarHBondContact CD2-O 3.44Å; L119-F170 HydrophobicContact CB-CZ 4.5Å; L119-F170 HydrophobicContact CD1-CD2 4.24Å; L119-F170 HydrophobicContact CD1-CE1 4.04Å; L119-F170 HydrophobicContact CD1-CE2 3.53Å; L119-F170 HydrophobicContact CD1-CZ 3.38Å; L119-F170 HydrophobicContact CD2-CD1 4.26Å; L119-F170 HydrophobicContact CD2-CE1 4.22Å; L119-F170 HydrophobicContact CD2-CG 4.44Å; L119-F170 HydrophobicContact CD2-CZ 4.34Å; L119-F170 HydrophobicContact CG-CD1 4.07Å; L119-F170 HydrophobicContact CG-CD2 4.48Å; L119-F170 HydrophobicContact CG-CE1 3.54Å; L119-F170 HydrophobicContact CG-CE2 3.97Å; L119-F170 HydrophobicContact CG-CG 4.47Å; L119-F170 HydrophobicContact CG-CZ 3.43Å; L119-F170 VanDerWaalsContact CG-CZ 3.43Å; L119-F170 WeakPolarHBondContact O-CE1 3.38Å; L119-F170 VanDerWaalsContact O-CZ 3.25Å; L119-F170 WeakPolarHBondContact O-CZ 3.32Å
120F84.2Confident90.6Very high112 Ų11237.8 Ų37.849%0.49122%0.218SC..G310 helixtrans-67.4-20.4174.668.5-102000115N118 Q429N118-F120 HydrophobicContact CB-CD1 3.75Å; N118-F120 HydrophobicContact CB-CE1 3.38Å; N118-F120 HydrophobicContact CB-CE2 4.29Å; N118-F120 HydrophobicContact CB-CG 4.35Å; N118-F120 HydrophobicContact CB-CZ 3.66Å; N118-F120 PolarHBondContact O-N 3.35Å; F120-Q429 HydrophobicContact CE2-CG 3.64Å; F120-Q429 HydrophobicContact CZ-CG 3.75Å
121L86.9Confident90.4Very high22 Ų2233.8 Ų33.812%0.11520%0.197CC..G310 helixtrans-84.7-25.5175.5-65.7178.3000112.5N118 L119 A140 K141N118-L121 HydrophobicContact CB-CD1 4.14Å; N118-L121 HydrophobicContact CB-CG 4.15Å; N118-L121 WeakPolarHBondContact O-CB 3.49Å; N118-L121 PolarHBondContact O-N 3.32Å; L119-L121 VanDerWaalsContact C-N 3.29Å; L119-L121 PolarHBondContact O-N 2.78Å; L121-A140 WeakPolarHBondContact O-CA 3.28Å; L121-K141 HydrophobicContact CB-CB 4.26Å; L121-K141 HydrophobicContact CD2-CB 4.22Å; L121-K141 PolarHBondContact O-N 3.21Å
122V89.4Confident90.3Very high1 Ų131.6 Ų31.61%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-65.5142.3167.3174.10000108.6L103 H117 N118 L119 Y138 V139 A140 F170 N268L103-V122 HydrophobicContact CD1-CG2 3.85Å; L103-V122 HydrophobicContact CG-CG2 4.46Å; H117-V122 HydrophobicContact CB-CG2 4.14Å; N118-V122 PolarHBondContact O-N 3.19Å; L119-V122 WeakPolarHBondContact O-CB 3.47Å; L119-V122 PolarHBondContact O-N 3.22Å; V122-Y138 HydrophobicContact CG1-CD2 4.2Å; V122-Y138 HydrophobicContact CG2-CD2 3.94Å; V122-Y138 HydrophobicContact CG2-CE2 4.11Å; V122-V139 CarbonylContact C-O 3.56Å; V122-A140 HydrophobicContact CB-CB 4.42Å; V122-A140 HydrophobicContact CG2-CB 3.79Å; V122-F170 HydrophobicContact CB-CZ 3.81Å; V122-F170 HydrophobicContact CG1-CE2 4.02Å; V122-F170 HydrophobicContact CG1-CZ 3.68Å; V122-N268 PolarHBondContact O-ND2 3.15Å
123S87.1Confident90.2Very high1 Ų130.4 Ų30.41%0.00717%0.168CC..EExtended strand (participates in β ladder)trans-123.3-25.5-166620000115.3V139 N268S123-V139 PolarHBondContact N-O 2.97Å; S123-V139 PolarHBondContact OG-O 2.84Å; S123-N268 WeakPolarHBondContact CA-ND2 3.45Å; S123-N268 PolarHBondContact N-ND2 3.26Å; S123-N268 WeakPolarHBondContact O-CB 3.28Å; S123-N268 PolarHBondContact O-N 2.87Å
124F91.2Very high90.1Very high0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-171152.7-177.1-176.2-100.5000107.6I40 I45 R48 C52 Y138 V139 A265 F266 D267I40-F124 HydrophobicContact CG2-CB 3.65Å; I40-F124 HydrophobicContact CG2-CD1 4.3Å; I40-F124 HydrophobicContact CG2-CD2 4.45Å; I40-F124 HydrophobicContact CG2-CG 3.92Å; I45-F124 HydrophobicContact CG1-CE2 4.33Å; R48-F124 HydrophobicContact CB-CD1 4.05Å; R48-F124 HydrophobicContact CB-CD2 3.87Å; R48-F124 HydrophobicContact CB-CE1 3.72Å; R48-F124 HydrophobicContact CB-CE2 3.56Å; R48-F124 HydrophobicContact CB-CG 4.13Å; R48-F124 HydrophobicContact CB-CZ 3.47Å; R48-F124 VanDerWaalsContact CB-CZ 3.47Å; R48-F124 HydrophobicContact CG-CD2 4.36Å; R48-F124 HydrophobicContact CG-CE2 4.31Å; C52-F124 HydrophobicContact CB-CE1 4.35Å; C52-F124 VanDerWaalsContact SG-CD1 3.5Å; F124-Y138 WeakPolarHBondContact O-CA 2.99Å; F124-V139 PolarHBondContact O-N 2.68Å; F124-A265 HydrophobicContact CE1-CB 4.39Å; F124-A265 HydrophobicContact CE2-CB 4.4Å; F124-A265 HydrophobicContact CZ-CB 3.8Å; F124-F266 WeakPolarHBondContact CD2-O 3.4Å; F124-F266 WeakPolarHBondContact CE2-O 3.47Å; F124-D267 HydrophobicContact CD2-CB 3.9Å; F124-D267 HydrophobicContact CE2-CB 4.2Å
125A94.1Very high90.2Very high0 Ų029.5 Ų29.50%016%0.162CC..EExtended strand (participates in β ladder)trans-145.5155.7162.600000111.6C137 I163 A265 F266A125-C137 CarbonylContact C-O 3.13Å; A125-C137 WeakPolarHBondContact CA-O 3.5Å; A125-C137 VanDerWaalsContact CB-O 3.23Å; A125-C137 WeakPolarHBondContact CB-O 3.38Å; A125-I163 HydrophobicContact CB-CD1 3.97Å; A125-A265 CarbonylContact O-C 3.52Å; A125-A265 WeakPolarHBondContact O-CA 3.27Å; A125-A265 WeakPolarHBondContact O-CB 3.43Å; A125-F266 HydrophobicContact CB-CD1 4.12Å; A125-F266 HydrophobicContact CB-CE1 3.3Å; A125-F266 HydrophobicContact CB-CE2 4.09Å; A125-F266 HydrophobicContact CB-CZ 3.24Å; A125-F266 PolarHBondContact N-O 2.92Å; A125-F266 PolarHBondContact O-N 3.06Å
126S93Very high90.4Very high0 Ų028.3 Ų28.30%016%0.157CC..EExtended strand (participates in β ladder)trans-146.5140.4-176-174.70000109.8C137S126-C137 PolarHBondContact N-O 3.05Å; S126-C137 PolarHBondContact O-N 2.81Å
127A92.4Very high90.5Very high11 Ų1123.4 Ų23.49%0.09114%0.135CC..EExtended strand (participates in β ladder)trans-63.4169154.100000109.9F135 I163 V264A127-F135 CarbonylContact C-O 3.52Å; A127-I163 HydrophobicContact CB-CG1 4.32Å; A127-V264 HydrophobicContact CB-CG2 3.87Å; A127-V264 PolarHBondContact N-O 3.04Å
128G89.2Confident90.7Very high3 Ų322.9 Ų22.93%0.03113%0.132CC..  trans-67.2-147.517600000114.8R53 T132 F135R53-G128 PolarHBondContact NE-O 3.34Å; G128-T132 WeakPolarHBondContact CA-OG1 3.37Å; G128-F135 PolarHBondContact N-O 2.66Å
129D86.7Confident91Very high18 Ų1819.8 Ų19.810%0.09612%0.116CC..  trans-119.7-174.4165.559.961.8000111.2R53 R57 R71 D131 T132 P133R53-D129 HydrophobicContact CG-CB 4.4Å; R57-D129 IonicContact CZ-OD2 3.97Å; R57-D129 IonicContact NE-OD2 3.01Å; R57-D129 PolarHBondContact NE-OD2 3.02Å; R57-D129 IonicContact NH2-OD1 2.66Å; R57-D129 PolarHBondContact NH2-OD1 2.7Å; R57-D129 IonicContact NH2-OD2 3.82Å; R57-D129 PolarHBondContact NH2-OD2 3.18Å; R71-D129 IonicContact NH1-OD1 2.66Å; D129-D131 PolarHBondContact O-N 2.66Å; D129-D131 VanDerWaalsContact O-N 3.11Å; D129-D131 WeakPolarHBondContact OD1-CA 3.16Å; D129-D131 WeakPolarHBondContact OD1-CB 3.44Å; D129-D131 VanDerWaalsContact OD1-CG 3.25Å; D129-D131 PolarHBondContact OD1-N 2.78Å; D129-T132 PolarHBondContact N-OG1 3.3Å; D129-T132 CarbonylContact O-C 3.59Å; D129-T132 WeakPolarHBondContact O-CA 3.46Å; D129-T132 PolarHBondContact O-N 3.38Å; D129-P133 VanDerWaalsContact O-N 3.16Å
130A86.5Confident91.2Very high77 Ų7719.5 Ų19.564%0.63611%0.114SC*.THydrogen-bonded Turntrans-63.1-13.3-179.800000114.1
131D87.3Confident91.4Very high27 Ų2714.7 Ų14.714%0.1449%0.093CC..THydrogen-bonded Turntrans-84.9-16.1170.4-46.4-26.9000112.1R57 P68 S69 R71 D129R57-D131 IonicContact CZ-OD2 3.39Å; R57-D131 IonicContact NH2-OD2 3.48Å; R57-D131 PolarHBondContact NH2-OD2 2.99Å; P68-D131 WeakPolarHBondContact CD-O 3.27Å; P68-D131 HydrophobicContact CG-CB 4.19Å; P68-D131 VanDerWaalsContact CG-O 3.26Å; P68-D131 WeakPolarHBondContact CG-O 3.33Å; S69-D131 WeakPolarHBondContact CB-OD2 3.38Å; S69-D131 VanDerWaalsContact OG-CG 3.3Å; S69-D131 PolarHBondContact OG-OD2 2.88Å; R71-D131 WeakPolarHBondContact CD-OD2 3.42Å; R71-D131 IonicContact CZ-OD1 2.92Å; R71-D131 IonicContact CZ-OD2 3.38Å; R71-D131 IonicContact NE-OD2 2.66Å; R71-D131 IonicContact NH1-OD1 2.72Å; R71-D131 PolarHBondContact NH1-OD1 3.02Å; R71-D131 IonicContact NH1-OD2 3.66Å; R71-D131 PolarHBondContact NH1-OD2 3.37Å; R71-D131 IonicContact NH2-OD1 3.4Å; D129-D131 PolarHBondContact O-N 2.66Å; D129-D131 VanDerWaalsContact O-N 3.11Å; D129-D131 WeakPolarHBondContact OD1-CA 3.16Å; D129-D131 WeakPolarHBondContact OD1-CB 3.44Å; D129-D131 VanDerWaalsContact OD1-CG 3.25Å; D129-D131 PolarHBondContact OD1-N 2.78Å
132T90Very high91.3Very high3 Ų315 Ų152%0.01810%0.096CC..SBendtrans-14351.8-172.872.50000112.2L67 G128 D129 D134 F135L67-T132 HydrophobicContact CD1-CG2 4.02Å; L67-T132 HydrophobicContact CD2-CG2 4Å; L67-T132 HydrophobicContact CG-CG2 4.47Å; G128-T132 WeakPolarHBondContact CA-OG1 3.37Å; D129-T132 PolarHBondContact N-OG1 3.3Å; D129-T132 CarbonylContact O-C 3.59Å; D129-T132 WeakPolarHBondContact O-CA 3.46Å; D129-T132 PolarHBondContact O-N 3.38Å; T132-D134 VanDerWaalsContact C-N 3.27Å; T132-D134 PolarHBondContact O-N 3.49Å; T132-F135 PolarHBondContact O-N 2.82Å
133P90.8Very high90.8Very high47 Ų4722.3 Ų22.331%0.30514%0.135SC..THydrogen-bonded Turntrans-65.4-30.5-168.827-34.4000113.3D129 F135 A159D129-P133 VanDerWaalsContact O-N 3.16Å; P133-F135 VanDerWaalsContact C-N 3.25Å; P133-F135 PolarHBondContact O-N 3.07Å; P133-A159 WeakPolarHBondContact O-CB 3.39Å
134D94Very high90.5Very high67 Ų6729.9 Ų29.936%0.35817%0.17SC..THydrogen-bonded Turntrans-81.3-0.1-177.3-50.6-66.7000113.5T132 C154T132-D134 VanDerWaalsContact C-N 3.27Å; T132-D134 PolarHBondContact O-N 3.49Å; D134-C154 WeakPolarHBondContact O-CB 3.33Å; D134-C154 PolarHBondContact O-N 3.15Å
135F95.6Very high89.9Confident15 Ų1533.7 Ų33.77%0.06619%0.19CC..EExtended strand (participates in β ladder)trans-102.3140.8-179.2-68.4-95.8000112V31 I56 C60 L65 A127 G128 T132 P133 V151 F152 E153V31-F135 HydrophobicContact CG2-CD1 4.32Å; V31-F135 HydrophobicContact CG2-CE1 4.04Å; I56-F135 HydrophobicContact CD1-CB 4.37Å; I56-F135 HydrophobicContact CG2-CB 3.72Å; I56-F135 HydrophobicContact CG2-CD1 4.25Å; I56-F135 HydrophobicContact CG2-CG 4.03Å; C60-F135 WeakPolarHBondContact SG-CE1 3.14Å; L65-F135 HydrophobicContact CD1-CE1 4.05Å; L65-F135 HydrophobicContact CD1-CZ 4.1Å; A127-F135 CarbonylContact C-O 3.52Å; G128-F135 PolarHBondContact N-O 2.66Å; T132-F135 PolarHBondContact O-N 2.82Å; P133-F135 VanDerWaalsContact C-N 3.25Å; P133-F135 PolarHBondContact O-N 3.07Å; F135-V151 HydrophobicContact CD1-CG1 4.29Å; F135-F152 WeakPolarHBondContact CA-O 3.37Å; F135-E153 HydrophobicContact CD1-CB 4.04Å; F135-E153 HydrophobicContact CD1-CG 4.34Å; F135-E153 HydrophobicContact CE1-CB 3.68Å; F135-E153 HydrophobicContact CE1-CG 3.78Å; F135-E153 HydrophobicContact CE2-CG 4.24Å; F135-E153 HydrophobicContact CZ-CB 4.16Å; F135-E153 VanDerWaalsContact CZ-CD 3.41Å; F135-E153 HydrophobicContact CZ-CG 3.71Å; F135-E153 WeakPolarHBondContact CZ-OE2 3.22Å
136I96.5Very high89.5Confident2 Ų237 Ų371%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-124.3157.8170.564.6173.8000110.5L28 V151 F152 A159 V162 I163L28-I136 HydrophobicContact CD1-CD1 4.1Å; I136-V151 WeakPolarHBondContact O-CA 3.32Å; I136-F152 HydrophobicContact CD1-CB 4.25Å; I136-F152 HydrophobicContact CG1-CB 3.81Å; I136-F152 HydrophobicContact CG1-CD2 4.44Å; I136-F152 PolarHBondContact N-O 3.28Å; I136-F152 PolarHBondContact O-N 2.66Å; I136-A159 HydrophobicContact CG2-CB 3.62Å; I136-A159 WeakPolarHBondContact CG2-O 3.33Å; I136-V162 HydrophobicContact CD1-CB 3.97Å; I136-V162 HydrophobicContact CD1-CG1 3.36Å; I136-I163 HydrophobicContact CB-CD1 4.2Å; I136-I163 HydrophobicContact CB-CG1 4.38Å; I136-I163 HydrophobicContact CG2-CD1 4.21Å; I136-I163 HydrophobicContact CG2-CG1 3.83Å
137C97Very high89.5Confident2 Ų238.2 Ų38.21%0.01422%0.216CC..EExtended strand (participates in β ladder)trans-148148.2165.8670000112.7C52 I56 A125 S126 Y150 V151C52-C137 WeakPolarHBondContact CB-SG 3.37Å; I56-C137 HydrophobicContact CD1-CB 4.11Å; I56-C137 HydrophobicContact CG1-CB 3.83Å; A125-C137 CarbonylContact C-O 3.13Å; A125-C137 WeakPolarHBondContact CA-O 3.5Å; A125-C137 VanDerWaalsContact CB-O 3.23Å; A125-C137 WeakPolarHBondContact CB-O 3.38Å; S126-C137 PolarHBondContact N-O 3.05Å; S126-C137 PolarHBondContact O-N 2.81Å; C137-Y150 CarbonylContact C-O 3.53Å; C137-Y150 WeakPolarHBondContact CA-O 3.26Å; C137-Y150 WeakPolarHBondContact CB-O 3.33Å; C137-V151 HydrophobicContact CB-CG2 3.97Å
138Y96.2Very high89.6Confident2 Ų238.4 Ų38.41%0.00822%0.215CC..EExtended strand (participates in β ladder)trans-125.4154.1168.270.2-103.2000110.6L103 H117 V122 F124 A140 C149 Y150 F152L103-Y138 HydrophobicContact CD1-CD1 3.88Å; L103-Y138 HydrophobicContact CD1-CD2 4.17Å; L103-Y138 HydrophobicContact CD1-CE1 3.8Å; L103-Y138 HydrophobicContact CD1-CE2 4.12Å; L103-Y138 HydrophobicContact CD1-CG 4.06Å; H117-Y138 AromaticContact ND1-CE2 3.63Å; H117-Y138 AromaticContact ND1-CZ 3.72Å; H117-Y138 PolarHBondContact ND1-OH 3.09Å; V122-Y138 HydrophobicContact CG1-CD2 4.2Å; V122-Y138 HydrophobicContact CG2-CD2 3.94Å; V122-Y138 HydrophobicContact CG2-CE2 4.11Å; F124-Y138 WeakPolarHBondContact O-CA 2.99Å; Y138-A140 HydrophobicContact CD2-CB 4.27Å; Y138-A140 HydrophobicContact CE2-CB 4.11Å; Y138-C149 CarbonylContact O-C 3.57Å; Y138-C149 WeakPolarHBondContact O-CA 3.32Å; Y138-Y150 HydrophobicContact CD2-CD2 4.03Å; Y138-Y150 AromaticContact CE2-CD2 3.52Å; Y138-Y150 HydrophobicContact CE2-CD2 3.52Å; Y138-Y150 HydrophobicContact CE2-CE2 4.27Å; Y138-Y150 HydrophobicContact CE2-CG 4.01Å; Y138-Y150 PolarHBondContact N-O 3.01Å; Y138-Y150 VanDerWaalsContact N-O 3.12Å; Y138-Y150 PolarHBondContact O-N 3.23Å; Y138-F152 AromaticContact CD1-CE2 3.96Å; Y138-F152 HydrophobicContact CD1-CE2 3.96Å; Y138-F152 HydrophobicContact CE1-CD2 4.46Å; Y138-F152 AromaticContact CE1-CE2 3.46Å; Y138-F152 HydrophobicContact CE1-CE2 3.46Å; Y138-F152 VanDerWaalsContact CE1-CE2 3.46Å; Y138-F152 AromaticContact CE1-CZ 3.91Å; Y138-F152 HydrophobicContact CE1-CZ 3.91Å
139V95Very high89.9Confident0 Ų038.3 Ų38.30%021%0.213CC..EExtended strand (participates in β ladder)trans-118.5116.3-177.9-172.70000110.8V36 I40 V122 S123 F124 M148 C149V36-V139 HydrophobicContact CB-CG1 4.3Å; V36-V139 HydrophobicContact CG2-CG1 3.82Å; I40-V139 HydrophobicContact CD1-CB 3.8Å; I40-V139 HydrophobicContact CD1-CG1 3.78Å; I40-V139 HydrophobicContact CD1-CG2 3.48Å; I40-V139 VanDerWaalsContact CD1-CG2 3.48Å; I40-V139 HydrophobicContact CG1-CG1 4.18Å; V122-V139 CarbonylContact C-O 3.56Å; S123-V139 PolarHBondContact N-O 2.97Å; S123-V139 PolarHBondContact OG-O 2.84Å; F124-V139 PolarHBondContact O-N 2.68Å; V139-M148 CarbonylContact C-O 3.6Å; V139-M148 VanDerWaalsContact CA-O 3.32Å; V139-M148 WeakPolarHBondContact CA-O 3.32Å; V139-C149 HydrophobicContact CG2-CB 3.68Å
140A92.4Very high90.4Very high0 Ų038.2 Ų38.20%021%0.212CC..EExtended strand (participates in β ladder)trans-119.7158.2-177.800000112.5H117 L121 V122 Y138 R147 M148 Y150H117-A140 HydrophobicContact CB-CB 4.4Å; L121-A140 WeakPolarHBondContact O-CA 3.28Å; V122-A140 HydrophobicContact CB-CB 4.42Å; V122-A140 HydrophobicContact CG2-CB 3.79Å; Y138-A140 HydrophobicContact CD2-CB 4.27Å; Y138-A140 HydrophobicContact CE2-CB 4.11Å; A140-R147 CarbonylContact O-C 3.59Å; A140-R147 WeakPolarHBondContact O-CA 3.4Å; A140-M148 PolarHBondContact N-O 2.6Å; A140-M148 PolarHBondContact O-N 3.05Å; A140-Y150 HydrophobicContact CB-CE2 4.11Å
141K87.6Confident91Very high10 Ų1034.5 Ų34.54%0.04318%0.181CC..EExtended strand (participates in β ladder)trans-77.9140.9157.3-70-169.6173.8-154.70110.2L121 D145 T146 R147 E354 D425L121-K141 HydrophobicContact CB-CB 4.26Å; L121-K141 HydrophobicContact CD2-CB 4.22Å; L121-K141 PolarHBondContact O-N 3.21Å; K141-D145 WeakPolarHBondContact CD-OD1 3.31Å; K141-D145 WeakPolarHBondContact CE-OD1 3.43Å; K141-D145 IonicContact NZ-OD1 3.6Å; K141-D145 PolarHBondContact NZ-OD1 3.21Å; K141-T146 CarbonylContact C-O 3.52Å; K141-T146 WeakPolarHBondContact CA-O 3.41Å; K141-R147 VanDerWaalsContact CE-CZ 3.44Å; K141-R147 HydrophobicContact CG-CG 4.05Å; K141-E354 WeakPolarHBondContact CE-OE1 3.35Å; K141-E354 IonicContact NZ-OE1 3.91Å; K141-E354 PolarHBondContact NZ-OE1 2.83Å; K141-D425 IonicContact NZ-OD2 3.32Å
142T85Confident91.5Very high30 Ų3033.2 Ų33.218%0.18418%0.175CC..  trans-88.5170.3163.773.60000110.6Q144 D145 T146 M148 Y150T142-Q144 PolarHBondContact O-N 3.1Å; T142-Q144 PolarHBondContact OG1-N 2.96Å; T142-Q144 VanDerWaalsContact OG1-N 3.14Å; T142-D145 PolarHBondContact O-N 3.19Å; T142-T146 PolarHBondContact N-O 3.41Å; T142-T146 PolarHBondContact OG1-O 2.79Å; T142-T146 PolarHBondContact OG1-OG1 2.9Å; T142-M148 HydrophobicContact CG2-CB 4.43Å; T142-M148 HydrophobicContact CG2-CG 3.75Å; T142-Y150 WeakPolarHBondContact CG2-OH 2.96Å
143D80.2Confident91.8Very high153 Ų15336 Ų3682%0.81819%0.187SC*.THydrogen-bonded Turntrans-62-10.3171.8-56.2-35000113.9
144Q79.6Confident91.9Very high160 Ų16034 Ų3475%0.74818%0.175SC*.THydrogen-bonded Turntrans-94.111.2175.7-53.5-61.9-48.800112.6T142 T146T142-Q144 PolarHBondContact O-N 3.1Å; T142-Q144 PolarHBondContact OG1-N 2.96Å; T142-Q144 VanDerWaalsContact OG1-N 3.14Å; Q144-T146 HydrophobicContact CB-CG2 4.26Å; Q144-T146 PolarHBondContact O-N 2.77Å
145D78.5Confident91.8Very high80 Ų8033.7 Ų33.743%0.42818%0.177SC..SBendtrans54.913.4-170.4-157.924.4000114.1K141 T142K141-D145 WeakPolarHBondContact CD-OD1 3.31Å; K141-D145 WeakPolarHBondContact CE-OD1 3.43Å; K141-D145 IonicContact NZ-OD1 3.6Å; K141-D145 PolarHBondContact NZ-OD1 3.21Å; T142-D145 PolarHBondContact O-N 3.19Å
146T87.3Confident91.3Very high70 Ų7040.3 Ų40.343%0.42921%0.213SC..  trans-78.1141.1169.564.70000109.6K141 T142 Q144K141-T146 CarbonylContact C-O 3.52Å; K141-T146 WeakPolarHBondContact CA-O 3.41Å; T142-T146 PolarHBondContact N-O 3.41Å; T142-T146 PolarHBondContact OG1-O 2.79Å; T142-T146 PolarHBondContact OG1-OG1 2.9Å; Q144-T146 HydrophobicContact CB-CG2 4.26Å; Q144-T146 PolarHBondContact O-N 2.77Å
147R91.1Very high90.8Very high26 Ų2642.3 Ų42.310%0.09823%0.234CC..EExtended strand (participates in β ladder)trans-97.3126.7174.8-66.9170.7177.1-86.77.3109P35 V36 T38 S39 A140 K141 E354P35-R147 CarbonylContact C-O 3.5Å; P35-R147 WeakPolarHBondContact CA-O 3.38Å; V36-R147 HydrophobicContact CB-CB 4.35Å; V36-R147 PolarHBondContact N-O 3.35Å; T38-R147 WeakPolarHBondContact O-CD 3.16Å; S39-R147 PolarHBondContact OG-NH2 3.33Å; A140-R147 CarbonylContact O-C 3.59Å; A140-R147 WeakPolarHBondContact O-CA 3.4Å; K141-R147 VanDerWaalsContact CE-CZ 3.44Å; K141-R147 HydrophobicContact CG-CG 4.05Å; R147-E354 IonicContact CZ-OE1 3.05Å; R147-E354 IonicContact NH2-OE1 2.92Å; R147-E354 PolarHBondContact NH2-OE1 3.38Å; R147-E354 IonicContact NH2-OE2 2.68Å; R147-E354 PolarHBondContact NH2-OE2 2.94Å
148M95Very high90.6Very high15 Ų1544.4 Ų44.47%0.07425%0.245CC..EExtended strand (participates in β ladder)trans-125.6135.5-177.7-65.1-63-70.100109.6A33 P35 D86 V139 A140 T142 Y150A33-M148 HydrophobicContact CB-CE 3.83Å; P35-M148 VanDerWaalsContact CA-SD 3.57Å; P35-M148 HydrophobicContact CB-SD 3.89Å; P35-M148 HydrophobicContact CG-CE 4.18Å; P35-M148 HydrophobicContact CG-SD 3.76Å; D86-M148 HydrophobicContact CB-CE 3.8Å; V139-M148 CarbonylContact C-O 3.6Å; V139-M148 VanDerWaalsContact CA-O 3.32Å; V139-M148 WeakPolarHBondContact CA-O 3.32Å; A140-M148 PolarHBondContact N-O 2.6Å; A140-M148 PolarHBondContact O-N 3.05Å; T142-M148 HydrophobicContact CG2-CB 4.43Å; T142-M148 HydrophobicContact CG2-CG 3.75Å; M148-Y150 HydrophobicContact CB-CD2 4.29Å; M148-Y150 HydrophobicContact CB-CE1 4.42Å; M148-Y150 HydrophobicContact CB-CE2 3.47Å; M148-Y150 VanDerWaalsContact CB-CE2 3.47Å; M148-Y150 WeakPolarHBondContact CB-OH 3.41Å; M148-Y150 WeakPolarHBondContact O-CD2 3.26Å; M148-Y150 WeakPolarHBondContact O-CE2 3.22Å
149C96.4Very high90.5Very high0 Ų044.5 Ų44.50%025%0.247CC..EExtended strand (participates in β ladder)trans-96.7110.6171.1179.10000108.8A33 I34 V36 S55 Y138 V139A33-C149 CarbonylContact C-O 3.5Å; A33-C149 WeakPolarHBondContact CA-O 3.37Å; A33-C149 WeakPolarHBondContact CB-O 3.49Å; I34-C149 HydrophobicContact CG2-CB 4.03Å; I34-C149 PolarHBondContact N-O 3.03Å; I34-C149 PolarHBondContact O-N 3.21Å; V36-C149 HydrophobicContact CG2-CB 3.72Å; S55-C149 WeakPolarHBondContact CB-SG 3.43Å; Y138-C149 CarbonylContact O-C 3.57Å; Y138-C149 WeakPolarHBondContact O-CA 3.32Å; V139-C149 HydrophobicContact CG2-CB 3.68Å
150Y97.5Very high90.3Very high16 Ų1649.7 Ų49.76%0.06327%0.271CS..EExtended strand (participates in β ladder)trans-91.3129.9-179.9-60.5-91.9000109.4Y30 A33 F115 H117 C137 Y138 A140 T142 M148Y30-Y150 HydrophobicContact CE2-CD1 4.07Å; A33-Y150 HydrophobicContact CB-CD1 3.74Å; A33-Y150 HydrophobicContact CB-CE1 3.96Å; A33-Y150 HydrophobicContact CB-CG 4.26Å; F115-Y150 HydrophobicContact CE1-CD1 4.45Å; F115-Y150 AromaticContact CE2-CD1 3.94Å; F115-Y150 HydrophobicContact CE2-CD1 3.94Å; F115-Y150 HydrophobicContact CE2-CE1 4.24Å; F115-Y150 AromaticContact CZ-CD1 3.82Å; F115-Y150 HydrophobicContact CZ-CD1 3.82Å; F115-Y150 HydrophobicContact CZ-CE1 4.23Å; H117-Y150 AromaticContact CE1-CD2 3.99Å; H117-Y150 AromaticContact CE1-CE1 3.6Å; H117-Y150 AromaticContact CE1-CE2 3.44Å; H117-Y150 VanDerWaalsContact CE1-CE2 3.44Å; H117-Y150 WeakPolarHBondContact CE1-CE2 3.37Å; H117-Y150 AromaticContact CE1-CZ 3.24Å; H117-Y150 AromaticContact NE2-CE2 3.69Å; H117-Y150 AromaticContact NE2-CZ 3.41Å; H117-Y150 PolarHBondContact NE2-OH 2.82Å; C137-Y150 CarbonylContact C-O 3.53Å; C137-Y150 WeakPolarHBondContact CA-O 3.26Å; C137-Y150 WeakPolarHBondContact CB-O 3.33Å; Y138-Y150 HydrophobicContact CD2-CD2 4.03Å; Y138-Y150 AromaticContact CE2-CD2 3.52Å; Y138-Y150 HydrophobicContact CE2-CD2 3.52Å; Y138-Y150 HydrophobicContact CE2-CE2 4.27Å; Y138-Y150 HydrophobicContact CE2-CG 4.01Å; Y138-Y150 PolarHBondContact N-O 3.01Å; Y138-Y150 VanDerWaalsContact N-O 3.12Å; Y138-Y150 PolarHBondContact O-N 3.23Å; A140-Y150 HydrophobicContact CB-CE2 4.11Å; T142-Y150 WeakPolarHBondContact CG2-OH 2.96Å; M148-Y150 HydrophobicContact CB-CD2 4.29Å; M148-Y150 HydrophobicContact CB-CE1 4.42Å; M148-Y150 HydrophobicContact CB-CE2 3.47Å; M148-Y150 VanDerWaalsContact CB-CE2 3.47Å; M148-Y150 WeakPolarHBondContact CB-OH 3.41Å; M148-Y150 WeakPolarHBondContact O-CD2 3.26Å; M148-Y150 WeakPolarHBondContact O-CE2 3.22Å
151V97.5Very high90.3Very high0 Ų052.8 Ų52.80%029%0.287CS..EExtended strand (participates in β ladder)trans-115.8133-174.6179.20000110.1Y30 V31 G32 I56 V59 F135 I136 C137Y30-V151 WeakPolarHBondContact CD2-O 2.96Å; V31-V151 HydrophobicContact CB-CB 4.42Å; V31-V151 HydrophobicContact CB-CG1 4.12Å; V31-V151 HydrophobicContact CG2-CG1 4.18Å; V31-V151 PolarHBondContact N-O 2.81Å; G32-V151 PolarHBondContact O-N 3.39Å; I56-V151 HydrophobicContact CB-CG1 4.41Å; I56-V151 HydrophobicContact CG1-CG1 4.07Å; I56-V151 HydrophobicContact CG1-CG2 4.13Å; I56-V151 HydrophobicContact CG2-CG1 4.33Å; V59-V151 HydrophobicContact CB-CB 4.3Å; V59-V151 HydrophobicContact CB-CG2 4.04Å; V59-V151 HydrophobicContact CG1-CB 4Å; V59-V151 HydrophobicContact CG1-CG1 4.32Å; V59-V151 HydrophobicContact CG1-CG2 4.26Å; V59-V151 HydrophobicContact CG2-CB 4.46Å; V59-V151 HydrophobicContact CG2-CG2 3.84Å; F135-V151 HydrophobicContact CD1-CG1 4.29Å; I136-V151 WeakPolarHBondContact O-CA 3.32Å; C137-V151 HydrophobicContact CB-CG2 3.97Å
152F97.7Very high90.6Very high0 Ų052.3 Ų52.30%029%0.285CS..EExtended strand (participates in β ladder)trans-129.8146.5178.5-54.5-102.3000110L28 Q29 Y30 V94 V105 F115 F135 I136 Y138L28-F152 HydrophobicContact CD1-CB 4.15Å; L28-F152 HydrophobicContact CD1-CD1 4.33Å; L28-F152 HydrophobicContact CD1-CG 4.36Å; Q29-F152 CarbonylContact O-C 3.53Å; Q29-F152 VanDerWaalsContact O-CA 3.23Å; Q29-F152 WeakPolarHBondContact O-CA 3.13Å; Y30-F152 AromaticContact CD2-CD1 3.92Å; Y30-F152 HydrophobicContact CD2-CD1 3.92Å; Y30-F152 AromaticContact CD2-CE1 3.53Å; Y30-F152 HydrophobicContact CD2-CE1 3.53Å; Y30-F152 HydrophobicContact CD2-CE2 4.3Å; Y30-F152 HydrophobicContact CD2-CG 4.46Å; Y30-F152 AromaticContact CD2-CZ 3.73Å; Y30-F152 HydrophobicContact CD2-CZ 3.73Å; Y30-F152 HydrophobicContact CE2-CE1 4.46Å; Y30-F152 HydrophobicContact CE2-CZ 4.23Å; Y30-F152 HydrophobicContact CG-CD1 4.42Å; Y30-F152 HydrophobicContact CG-CE1 4.06Å; V94-F152 HydrophobicContact CG2-CD1 4.15Å; V94-F152 HydrophobicContact CG2-CE1 4.18Å; V105-F152 HydrophobicContact CG1-CE1 4.2Å; V105-F152 HydrophobicContact CG2-CE1 4.11Å; V105-F152 HydrophobicContact CG2-CZ 4.05Å; F115-F152 HydrophobicContact CE2-CZ 4.31Å; F115-F152 HydrophobicContact CZ-CZ 4.23Å; F135-F152 WeakPolarHBondContact CA-O 3.37Å; I136-F152 HydrophobicContact CD1-CB 4.25Å; I136-F152 HydrophobicContact CG1-CB 3.81Å; I136-F152 HydrophobicContact CG1-CD2 4.44Å; I136-F152 PolarHBondContact N-O 3.28Å; I136-F152 PolarHBondContact O-N 2.66Å; Y138-F152 AromaticContact CD1-CE2 3.96Å; Y138-F152 HydrophobicContact CD1-CE2 3.96Å; Y138-F152 HydrophobicContact CE1-CD2 4.46Å; Y138-F152 AromaticContact CE1-CE2 3.46Å; Y138-F152 HydrophobicContact CE1-CE2 3.46Å; Y138-F152 VanDerWaalsContact CE1-CE2 3.46Å; Y138-F152 AromaticContact CE1-CZ 3.91Å; Y138-F152 HydrophobicContact CE1-CZ 3.91Å
153E96.3Very high91.1Very high62 Ų6251 Ų5129%0.2928%0.277SS..EExtended strand (participates in β ladder)trans-102.1134.1169.4-171.7169.7173.300108.3Q29 V31 F135Q29-E153 HydrophobicContact CB-CB 4.38Å; Q29-E153 PolarHBondContact N-O 3.23Å; Q29-E153 PolarHBondContact O-N 3.26Å; V31-E153 HydrophobicContact CG2-CB 3.91Å; F135-E153 HydrophobicContact CD1-CB 4.04Å; F135-E153 HydrophobicContact CD1-CG 4.34Å; F135-E153 HydrophobicContact CE1-CB 3.68Å; F135-E153 HydrophobicContact CE1-CG 3.78Å; F135-E153 HydrophobicContact CE2-CG 4.24Å; F135-E153 HydrophobicContact CZ-CB 4.16Å; F135-E153 VanDerWaalsContact CZ-CD 3.41Å; F135-E153 HydrophobicContact CZ-CG 3.71Å; F135-E153 WeakPolarHBondContact CZ-OE2 3.22Å
154C94.7Very high91.6Very high5 Ų545.5 Ų45.53%0.03425%0.247CC..  trans-112.7129.6-175.7-55.20000109.3L28 D134 L158 A159L28-C154 HydrophobicContact CD2-CB 3.79Å; L28-C154 WeakPolarHBondContact CD2-SG 3.14Å; D134-C154 WeakPolarHBondContact O-CB 3.33Å; D134-C154 PolarHBondContact O-N 3.15Å; C154-L158 HydrophobicContact CB-CB 4.22Å; C154-A159 HydrophobicContact CB-CB 3.97Å; C154-A159 VanDerWaalsContact SG-CA 3.6Å
155S90.1Very high92.3Very high60 Ų6037.9 Ų37.942%0.4221%0.212SC..SBendtrans-74.2165.316975.20000111.4G157 L158S155-G157 PolarHBondContact O-N 2.66Å; S155-L158 WeakPolarHBondContact O-CB 3.44Å; S155-L158 WeakPolarHBondContact O-CG 3.44Å; S155-L158 PolarHBondContact O-N 2.88Å
156D85.4Confident93Very high153 Ų15334.1 Ų34.182%0.81819%0.192SC*.THydrogen-bonded Turntrans5523.9161.4-51.8-64.5000116.4L158D156-L158 VanDerWaalsContact C-N 3.33Å
157G85.5Confident93.2Very high44 Ų4431 Ų3145%0.45417%0.173SC..THydrogen-bonded Turntrans79.17.4-179.400000115.3S155 A159S155-G157 PolarHBondContact O-N 2.66Å; G157-A159 PolarHBondContact O-N 2.73Å
158L93.2Very high93.2Very high47 Ų4729.8 Ų29.825%0.24617%0.169CC..THydrogen-bonded Turntrans-59.6-15.1-177-67.6170.6000114.2F26 C154 S155 D156 Q160 D161 V162F26-L158 HydrophobicContact CD1-CD2 4.46Å; C154-L158 HydrophobicContact CB-CB 4.22Å; S155-L158 WeakPolarHBondContact O-CB 3.44Å; S155-L158 WeakPolarHBondContact O-CG 3.44Å; S155-L158 PolarHBondContact O-N 2.88Å; D156-L158 VanDerWaalsContact C-N 3.33Å; L158-Q160 VanDerWaalsContact C-N 3.26Å; L158-Q160 PolarHBondContact O-N 3.37Å; L158-D161 PolarHBondContact O-N 3.25Å; L158-V162 WeakPolarHBondContact O-CG2 3.42Å; L158-V162 PolarHBondContact O-N 3.02Å
159A93.6Very high93.1Very high4 Ų429.1 Ų29.13%0.03317%0.165CC..Hα-helixtrans-51.8-39.6179.700000113.9P133 I136 C154 G157 I163P133-A159 WeakPolarHBondContact O-CB 3.39Å; I136-A159 HydrophobicContact CG2-CB 3.62Å; I136-A159 WeakPolarHBondContact CG2-O 3.33Å; C154-A159 HydrophobicContact CB-CB 3.97Å; C154-A159 VanDerWaalsContact SG-CA 3.6Å; G157-A159 PolarHBondContact O-N 2.73Å; A159-I163 WeakPolarHBondContact O-CG1 3.47Å; A159-I163 PolarHBondContact O-N 3.28Å
160Q90.9Very high92.6Very high109 Ų10930.5 Ų30.551%0.50917%0.171SC..Hα-helixtrans-70.2-44.7176.7178169.1-18.600111.7L158 I163 I164 V264L158-Q160 VanDerWaalsContact C-N 3.26Å; L158-Q160 PolarHBondContact O-N 3.37Å; Q160-I163 PolarHBondContact O-N 3.18Å; Q160-I164 HydrophobicContact CG-CD1 3.8Å; Q160-I164 WeakPolarHBondContact O-CG1 3.27Å; Q160-I164 PolarHBondContact O-N 3.33Å; Q160-V264 HydrophobicContact CG-CG2 4.41Å
161D92.7Very high92.1Very high65 Ų6532 Ų3235%0.34818%0.179SC..Hα-helixtrans-65.9-39.9-177.8-72.7-2.2000111.8L12 F26 L158 I164 T165L12-D161 HydrophobicContact CD1-CB 3.64Å; F26-D161 HydrophobicContact CE1-CB 4.32Å; L158-D161 PolarHBondContact O-N 3.25Å; D161-I164 PolarHBondContact O-N 3.12Å; D161-T165 WeakPolarHBondContact O-CB 3.41Å; D161-T165 PolarHBondContact O-N 3.11Å; D161-T165 PolarHBondContact O-OG1 3.32Å
162V95.1Very high91.6Very high0 Ų032.9 Ų32.90%018%0.183CC..Hα-helixtrans-61.1-46.8174.3178.20000110.8F26 L28 L96 I98 I136 L158 I164 T165 I166F26-V162 HydrophobicContact CB-CG2 4.06Å; F26-V162 HydrophobicContact CD1-CG2 3.5Å; F26-V162 VanDerWaalsContact CD1-CG2 3.5Å; F26-V162 HydrophobicContact CD2-CG2 3.94Å; F26-V162 HydrophobicContact CE1-CG2 3.8Å; F26-V162 HydrophobicContact CE2-CG2 4.21Å; F26-V162 HydrophobicContact CG-CG2 3.57Å; F26-V162 HydrophobicContact CZ-CG2 4.15Å; L28-V162 HydrophobicContact CD2-CG2 4.43Å; L96-V162 HydrophobicContact CD2-CG1 3.97Å; I98-V162 HydrophobicContact CD1-CG1 4.2Å; I136-V162 HydrophobicContact CD1-CB 3.97Å; I136-V162 HydrophobicContact CD1-CG1 3.36Å; L158-V162 WeakPolarHBondContact O-CG2 3.42Å; L158-V162 PolarHBondContact O-N 3.02Å; V162-I164 VanDerWaalsContact C-N 3.34Å; V162-I164 PolarHBondContact O-N 3.17Å; V162-T165 PolarHBondContact O-N 3.05Å; V162-I166 HydrophobicContact CG1-CD1 3.79Å; V162-I166 HydrophobicContact CG1-CG1 4.27Å; V162-I166 VanDerWaalsContact O-CG1 3.3Å; V162-I166 WeakPolarHBondContact O-CG1 3.41Å; V162-I166 PolarHBondContact O-N 3.37Å
163I94.2Very high90.8Very high1 Ų133.8 Ų33.81%0.00519%0.193CC..Hα-helixtrans-63.6-39.1178.5-69-68.4000111.8A125 A127 I136 A159 Q160 G167 V264 F266A125-I163 HydrophobicContact CB-CD1 3.97Å; A127-I163 HydrophobicContact CB-CG1 4.32Å; I136-I163 HydrophobicContact CB-CD1 4.2Å; I136-I163 HydrophobicContact CB-CG1 4.38Å; I136-I163 HydrophobicContact CG2-CD1 4.21Å; I136-I163 HydrophobicContact CG2-CG1 3.83Å; A159-I163 WeakPolarHBondContact O-CG1 3.47Å; A159-I163 PolarHBondContact O-N 3.28Å; Q160-I163 PolarHBondContact O-N 3.18Å; I163-G167 PolarHBondContact O-N 3.18Å; I163-V264 HydrophobicContact CB-CG2 4.07Å; I163-V264 HydrophobicContact CG2-CB 4.11Å; I163-V264 HydrophobicContact CG2-CG2 3.77Å; I163-F266 HydrophobicContact CG2-CD1 4.41Å
164I91.3Very high89.8Confident39 Ų3934.6 Ų34.620%0.219%0.194CC..Hα-helixtrans-64.8-42.8174.3-67.3166.5000110.8W11 L12 Q160 D161 V162 G167 Q168W11-I164 HydrophobicContact CE3-CG2 3.95Å; W11-I164 HydrophobicContact CZ3-CG2 4.23Å; L12-I164 HydrophobicContact CD1-CB 4.02Å; L12-I164 HydrophobicContact CD1-CD1 4.4Å; L12-I164 HydrophobicContact CD1-CG2 3.93Å; L12-I164 HydrophobicContact CG-CG2 3.93Å; Q160-I164 HydrophobicContact CG-CD1 3.8Å; Q160-I164 WeakPolarHBondContact O-CG1 3.27Å; Q160-I164 PolarHBondContact O-N 3.33Å; D161-I164 PolarHBondContact O-N 3.12Å; V162-I164 VanDerWaalsContact C-N 3.34Å; V162-I164 PolarHBondContact O-N 3.17Å; I164-G167 CarbonylContact O-C 3.55Å; I164-G167 WeakPolarHBondContact O-CA 3.47Å; I164-G167 PolarHBondContact O-N 3.01Å; I164-Q168 PolarHBondContact O-N 3.24Å
165T94.4Very high89Confident0 Ų038.3 Ų38.30%021%0.211CC..Hα-helixtrans-67.7-41.7-178-55.70000112.2H13 L18 V24 F26 I98 D161 V162 G167 Q168 A169H13-T165 VanDerWaalsContact CD2-CG2 3.48Å; H13-T165 WeakPolarHBondContact CD2-CG2 3.35Å; H13-T165 PolarHBondContact CD2-OG1 2.87Å; H13-T165 WeakPolarHBondContact NE2-CB 3.27Å; H13-T165 WeakPolarHBondContact NE2-CG2 3.21Å; H13-T165 PolarHBondContact NE2-OG1 3.34Å; L18-T165 HydrophobicContact CD1-CG2 4.37Å; L18-T165 HydrophobicContact CD2-CG2 3.83Å; V24-T165 HydrophobicContact CB-CG2 4.03Å; V24-T165 HydrophobicContact CG1-CG2 4.21Å; V24-T165 HydrophobicContact CG2-CG2 4.35Å; F26-T165 HydrophobicContact CE2-CG2 3.94Å; F26-T165 HydrophobicContact CZ-CG2 4.36Å; I98-T165 HydrophobicContact CB-CG2 4.43Å; I98-T165 HydrophobicContact CD1-CG2 3.96Å; I98-T165 HydrophobicContact CG2-CG2 4.27Å; D161-T165 WeakPolarHBondContact O-CB 3.41Å; D161-T165 PolarHBondContact O-N 3.11Å; D161-T165 PolarHBondContact O-OG1 3.32Å; V162-T165 PolarHBondContact O-N 3.05Å; T165-G167 VanDerWaalsContact C-N 3.32Å; T165-Q168 PolarHBondContact O-N 3.46Å; T165-A169 PolarHBondContact O-N 3.12Å
166I94.2Very high88.4Confident1 Ų138.5 Ų38.51%0.00521%0.207CC..Hα-helixtrans-63.4-41.2171.6-59.3169.1000109.7I98 L103 V162 Q168 A169 F170 F266I98-I166 HydrophobicContact CD1-CD1 4.37Å; I98-I166 HydrophobicContact CD1-CG1 3.55Å; I98-I166 HydrophobicContact CG1-CG1 4.02Å; I98-I166 HydrophobicContact CG2-CG1 4.28Å; L103-I166 HydrophobicContact CD1-CG2 4.48Å; L103-I166 HydrophobicContact CD2-CG1 4.31Å; L103-I166 HydrophobicContact CD2-CG2 4.34Å; V162-I166 HydrophobicContact CG1-CD1 3.79Å; V162-I166 HydrophobicContact CG1-CG1 4.27Å; V162-I166 VanDerWaalsContact O-CG1 3.3Å; V162-I166 WeakPolarHBondContact O-CG1 3.41Å; V162-I166 PolarHBondContact O-N 3.37Å; I166-Q168 VanDerWaalsContact C-N 3.35Å; I166-Q168 PolarHBondContact O-N 3.25Å; I166-A169 WeakPolarHBondContact O-CB 3.27Å; I166-A169 PolarHBondContact O-N 3.37Å; I166-F170 HydrophobicContact CG2-CD2 3.85Å; I166-F170 HydrophobicContact CG2-CE2 3.57Å; I166-F170 WeakPolarHBondContact O-CD2 3.49Å; I166-F170 PolarHBondContact O-N 3.23Å; I166-F266 HydrophobicContact CB-CE1 3.7Å; I166-F266 HydrophobicContact CB-CZ 4.2Å; I166-F266 HydrophobicContact CG2-CE1 3.36Å; I166-F266 HydrophobicContact CG2-CE2 4.43Å; I166-F266 HydrophobicContact CG2-CZ 3.32Å
167G91.2Very high87.6Confident4 Ų434.9 Ų34.94%0.04119%0.187CC..Hα-helixtrans-58.9-40.2174.300000113.9I163 I164 T165 F170 Q171I163-G167 PolarHBondContact O-N 3.18Å; I164-G167 CarbonylContact O-C 3.55Å; I164-G167 WeakPolarHBondContact O-CA 3.47Å; I164-G167 PolarHBondContact O-N 3.01Å; T165-G167 VanDerWaalsContact C-N 3.32Å; G167-F170 WeakPolarHBondContact O-CB 3.37Å; G167-F170 PolarHBondContact O-N 3.5Å; G167-Q171 PolarHBondContact O-N 3.27Å; G167-Q171 VanDerWaalsContact O-N 3.12Å
168Q90.9Very high86.9Confident1 Ų138.2 Ų38.21%0.00519%0.189CC..Hα-helixtrans-65.9-43.7173-170.7-179.30.700111.3W11 H13 D15 L18 I164 T165 I166 F170 Q171 L172W11-Q168 VanDerWaalsContact CB-CD 3.47Å; W11-Q168 HydrophobicContact CB-CG 4.12Å; W11-Q168 HydrophobicContact CD2-CB 3.82Å; W11-Q168 HydrophobicContact CD2-CG 3.76Å; W11-Q168 HydrophobicContact CE3-CB 3.56Å; W11-Q168 HydrophobicContact CE3-CG 4.06Å; W11-Q168 HydrophobicContact CG-CB 4.33Å; W11-Q168 HydrophobicContact CG-CG 3.8Å; W11-Q168 HydrophobicContact CH2-CB 4.43Å; W11-Q168 HydrophobicContact CZ3-CB 3.89Å; H13-Q168 PolarHBondContact O-NE2 3.5Å; D15-Q168 PolarHBondContact OD1-NE2 3.06Å; L18-Q168 HydrophobicContact CD1-CB 3.72Å; L18-Q168 VanDerWaalsContact CD1-CD 3.44Å; L18-Q168 HydrophobicContact CD1-CG 3.58Å; I164-Q168 PolarHBondContact O-N 3.24Å; T165-Q168 PolarHBondContact O-N 3.46Å; I166-Q168 VanDerWaalsContact C-N 3.35Å; I166-Q168 PolarHBondContact O-N 3.25Å; Q168-F170 PolarHBondContact O-N 2.81Å; Q168-Q171 WeakPolarHBondContact O-CB 3.42Å; Q168-Q171 PolarHBondContact O-N 3.19Å; Q168-Q171 VanDerWaalsContact O-N 3.1Å; Q168-L172 HydrophobicContact CG-CD1 4.11Å; Q168-L172 WeakPolarHBondContact O-CG 3.2Å; Q168-L172 PolarHBondContact O-N 3.39Å
169A91.6Very high85.8Confident0 Ų041.6 Ų41.60%021%0.208CC..Hα-helixtrans-58.7-37.5176.400000111.7L18 I98 L119 T165 I166 L172 G173L18-A169 HydrophobicContact CD1-CB 4.5Å; I98-A169 HydrophobicContact CG2-CB 3.61Å; L119-A169 HydrophobicContact CD2-CB 3.96Å; L119-A169 VanDerWaalsContact CD2-O 3.32Å; L119-A169 WeakPolarHBondContact CD2-O 3.44Å; T165-A169 PolarHBondContact O-N 3.12Å; I166-A169 WeakPolarHBondContact O-CB 3.27Å; I166-A169 PolarHBondContact O-N 3.37Å; A169-L172 PolarHBondContact O-N 3.05Å; A169-G173 PolarHBondContact O-N 2.81Å
170F87.4Confident84.1Confident29 Ų2945.4 Ų45.413%0.12723%0.234CC..Hα-helixtrans-62.8-46.5172.1-88.3-67.6000113.4L119 V122 I166 G167 Q168 L172 G173 Y174 F266 N268L119-F170 HydrophobicContact CB-CZ 4.5Å; L119-F170 HydrophobicContact CD1-CD2 4.24Å; L119-F170 HydrophobicContact CD1-CE1 4.04Å; L119-F170 HydrophobicContact CD1-CE2 3.53Å; L119-F170 HydrophobicContact CD1-CZ 3.38Å; L119-F170 HydrophobicContact CD2-CD1 4.26Å; L119-F170 HydrophobicContact CD2-CE1 4.22Å; L119-F170 HydrophobicContact CD2-CG 4.44Å; L119-F170 HydrophobicContact CD2-CZ 4.34Å; L119-F170 HydrophobicContact CG-CD1 4.07Å; L119-F170 HydrophobicContact CG-CD2 4.48Å; L119-F170 HydrophobicContact CG-CE1 3.54Å; L119-F170 HydrophobicContact CG-CE2 3.97Å; L119-F170 HydrophobicContact CG-CG 4.47Å; L119-F170 HydrophobicContact CG-CZ 3.43Å; L119-F170 VanDerWaalsContact CG-CZ 3.43Å; L119-F170 WeakPolarHBondContact O-CE1 3.38Å; L119-F170 VanDerWaalsContact O-CZ 3.25Å; L119-F170 WeakPolarHBondContact O-CZ 3.32Å; V122-F170 HydrophobicContact CB-CZ 3.81Å; V122-F170 HydrophobicContact CG1-CE2 4.02Å; V122-F170 HydrophobicContact CG1-CZ 3.68Å; I166-F170 HydrophobicContact CG2-CD2 3.85Å; I166-F170 HydrophobicContact CG2-CE2 3.57Å; I166-F170 WeakPolarHBondContact O-CD2 3.49Å; I166-F170 PolarHBondContact O-N 3.23Å; G167-F170 WeakPolarHBondContact O-CB 3.37Å; G167-F170 PolarHBondContact O-N 3.5Å; Q168-F170 PolarHBondContact O-N 2.81Å; F170-L172 PolarHBondContact O-N 3.15Å; F170-G173 PolarHBondContact O-N 2.92Å; F170-Y174 WeakPolarHBondContact O-CB 3.45Å; F170-Y174 PolarHBondContact O-N 2.8Å; F170-F266 AromaticContact CD2-CD2 3.86Å; F170-F266 HydrophobicContact CD2-CD2 3.86Å; F170-F266 HydrophobicContact CD2-CE1 4.29Å; F170-F266 AromaticContact CD2-CE2 3.3Å; F170-F266 HydrophobicContact CD2-CE2 3.3Å; F170-F266 AromaticContact CD2-CZ 3.56Å; F170-F266 HydrophobicContact CD2-CZ 3.56Å; F170-F266 HydrophobicContact CE2-CD2 4.26Å; F170-F266 HydrophobicContact CE2-CE1 4.41Å; F170-F266 AromaticContact CE2-CE2 3.27Å; F170-F266 HydrophobicContact CE2-CE2 3.27Å; F170-F266 AromaticContact CE2-CZ 3.38Å; F170-F266 HydrophobicContact CE2-CZ 3.38Å; F170-F266 HydrophobicContact CG-CE2 4.23Å; F170-F266 HydrophobicContact CZ-CE2 4.16Å; F170-F266 HydrophobicContact CZ-CZ 4.49Å; F170-N268 VanDerWaalsContact CD1-OD1 3.26Å; F170-N268 WeakPolarHBondContact CD1-OD1 3.32Å; F170-N268 HydrophobicContact CE1-CB 4.35Å; F170-N268 WeakPolarHBondContact CE1-ND2 3.48Å; F170-N268 WeakPolarHBondContact CE1-OD1 3.39Å; F170-N268 WeakPolarHBondContact CG-OD1 3.44Å; F170-N268 WeakPolarHBondContact CZ-ND2 3.49Å
171Q85.6Confident81.9Confident49 Ų4948.3 Ų48.323%0.22925%0.245CC..Hα-helixtrans-57.6-34176.7-170.769.8-16.100111.5W11 G167 Q168 Q175W11-Q171 HydrophobicContact CZ2-CB 4.07Å; W11-Q171 HydrophobicContact CZ2-CG 4.07Å; G167-Q171 PolarHBondContact O-N 3.27Å; G167-Q171 VanDerWaalsContact O-N 3.12Å; Q168-Q171 WeakPolarHBondContact O-CB 3.42Å; Q168-Q171 PolarHBondContact O-N 3.19Å; Q168-Q171 VanDerWaalsContact O-N 3.1Å; Q171-Q175 VanDerWaalsContact O-CG 3.28Å; Q171-Q175 WeakPolarHBondContact O-CG 3.39Å; Q171-Q175 PolarHBondContact O-N 3.21Å; Q171-Q175 PolarHBondContact O-NE2 2.73Å
172L86.8Confident79.6Confident17 Ų1749.3 Ų49.39%0.08926%0.255CS..Hα-helixtrans-82.9-49.6179.3-64.9170.9000112.9D15 L18 Q168 A169 F170 Y174 Q175 D176D15-L172 HydrophobicContact CB-CD1 3.77Å; D15-L172 HydrophobicContact CB-CD2 3.69Å; D15-L172 HydrophobicContact CB-CG 4.38Å; L18-L172 HydrophobicContact CB-CD1 3.8Å; L18-L172 HydrophobicContact CD1-CD1 4.12Å; Q168-L172 HydrophobicContact CG-CD1 4.11Å; Q168-L172 WeakPolarHBondContact O-CG 3.2Å; Q168-L172 PolarHBondContact O-N 3.39Å; A169-L172 PolarHBondContact O-N 3.05Å; F170-L172 PolarHBondContact O-N 3.15Å; L172-Y174 PolarHBondContact O-N 3.01Å; L172-Q175 CarbonylContact O-C 3.57Å; L172-Q175 WeakPolarHBondContact O-CA 3.21Å; L172-Q175 WeakPolarHBondContact O-CB 3.23Å; L172-Q175 PolarHBondContact O-N 3.4Å; L172-D176 PolarHBondContact O-N 3.25Å
173G81.9Confident76.9Confident19 Ų1957.9 Ų57.920%0.19630%0.295CS..Hα-helixtrans-59.7-32.7179.100000113S100 A169 F170 L177S100-G173 WeakPolarHBondContact O-CA 3.42Å; A169-G173 PolarHBondContact O-N 2.81Å; F170-G173 PolarHBondContact O-N 2.92Å; G173-L177 WeakPolarHBondContact O-CB 3.31Å; G173-L177 PolarHBondContact O-N 3.01Å; G173-L177 VanDerWaalsContact O-N 3.07Å
174Y75.9Confident74.2Confident79 Ų7964.6 Ų64.631%0.3133%0.33SS..Hα-helixtrans-70.9-38.1172-179.7-124.7000113F170 L172 K178 M270F170-Y174 WeakPolarHBondContact O-CB 3.45Å; F170-Y174 PolarHBondContact O-N 2.8Å; L172-Y174 PolarHBondContact O-N 3.01Å; Y174-K178 VanDerWaalsContact O-CB 3.31Å; Y174-K178 WeakPolarHBondContact O-CB 3.47Å; Y174-K178 PolarHBondContact O-N 2.83Å; Y174-M270 HydrophobicContact CE2-CE 3.7Å; Y174-M270 HydrophobicContact CE2-SD 4.39Å; Y174-M270 WeakPolarHBondContact OH-CE 3.16Å; Y174-M270 PolarHBondContact OH-SD 2.91Å
175Q77.8Confident71.6Confident83 Ų8367.5 Ų67.539%0.38835%0.349SS..Hα-helixtrans-67.1-40.1172.7-77.5176.587.700112.1Q171 L172 K178 N179Q171-Q175 VanDerWaalsContact O-CG 3.28Å; Q171-Q175 WeakPolarHBondContact O-CG 3.39Å; Q171-Q175 PolarHBondContact O-N 3.21Å; Q171-Q175 PolarHBondContact O-NE2 2.73Å; L172-Q175 CarbonylContact O-C 3.57Å; L172-Q175 WeakPolarHBondContact O-CA 3.21Å; L172-Q175 WeakPolarHBondContact O-CB 3.23Å; L172-Q175 PolarHBondContact O-N 3.4Å; Q175-K178 CarbonylContact O-C 3.55Å; Q175-K178 PolarHBondContact O-N 3.07Å; Q175-K178 VanDerWaalsContact O-N 3.12Å; Q175-N179 VanDerWaalsContact O-CB 3.31Å; Q175-N179 WeakPolarHBondContact O-CB 3.25Å; Q175-N179 PolarHBondContact O-N 2.68Å; Q175-N179 PolarHBondContact O-ND2 2.96Å; Q175-N179 VanDerWaalsContact O-ND2 3.15Å
176D76.4Confident68.5Low65 Ų6573.7 Ų73.735%0.34838%0.382SS..Hα-helixtrans-59.5-47.5175.3-70.8-25.3000110.6S100 L172 K178 N179 S180S100-D176 WeakPolarHBondContact CB-OD2 3.32Å; S100-D176 PolarHBondContact OG-OD2 2.75Å; L172-D176 PolarHBondContact O-N 3.25Å; D176-K178 VanDerWaalsContact C-N 3.3Å; D176-K178 PolarHBondContact O-N 3.27Å; D176-N179 PolarHBondContact O-N 3.42Å; D176-S180 WeakPolarHBondContact O-CB 3.32Å; D176-S180 PolarHBondContact O-N 3.32Å; D176-S180 PolarHBondContact O-OG 2.9Å
177L69.4Low65.6Low76 Ų7680.7 Ų80.740%0.39842%0.419SS..Hα-helixtrans-61-37.7173.4-178.562.2000112.3G173 I444 F445G173-L177 WeakPolarHBondContact O-CB 3.31Å; G173-L177 PolarHBondContact O-N 3.01Å; G173-L177 VanDerWaalsContact O-N 3.07Å; L177-I444 HydrophobicContact CD1-CG2 4.47Å; L177-F445 HydrophobicContact CG-CE1 4.49Å
178K69.8Low63Low114 Ų11488.5 Ų88.550%0.49646%0.455SS..Hα-helixtrans-71.9-34.9179.4-167.7174.9-176.2176.90113.6Y174 Q175 D176 F445Y174-K178 VanDerWaalsContact O-CB 3.31Å; Y174-K178 WeakPolarHBondContact O-CB 3.47Å; Y174-K178 PolarHBondContact O-N 2.83Å; Q175-K178 CarbonylContact O-C 3.55Å; Q175-K178 PolarHBondContact O-N 3.07Å; Q175-K178 VanDerWaalsContact O-N 3.12Å; D176-K178 VanDerWaalsContact C-N 3.3Å; D176-K178 PolarHBondContact O-N 3.27Å; K178-F445 HydrophobicContact CB-CE1 4.11Å; K178-F445 HydrophobicContact CB-CZ 4.38Å; K178-F445 HydrophobicContact CG-CE1 4.21Å; K178-F445 HydrophobicContact CG-CZ 4.2Å
179N71.7Confident60.2Low119 Ų11994.6 Ų94.664%0.63649%0.492SS*.Hα-helixtrans-86.2-23.8-179.2-67.6-30.9000112.5Q175 D176 K181Q175-N179 VanDerWaalsContact O-CB 3.31Å; Q175-N179 WeakPolarHBondContact O-CB 3.25Å; Q175-N179 PolarHBondContact O-N 2.68Å; Q175-N179 PolarHBondContact O-ND2 2.96Å; Q175-N179 VanDerWaalsContact O-ND2 3.15Å; D176-N179 PolarHBondContact O-N 3.42Å; N179-K181 PolarHBondContact O-N 3.18Å
180S57.9Low57.4Low84 Ų8499.2 Ų99.259%0.58752%0.524SS*.  trans-71.952.3177.2-64.50000113.9D176D176-S180 WeakPolarHBondContact O-CB 3.32Å; D176-S180 PolarHBondContact O-N 3.32Å; D176-S180 PolarHBondContact O-OG 2.9Å
181K43.8Very low54.6Low170 Ų170103.7 Ų103.774%0.73956%0.559SS**  trans-60.7128.8161.6-68.5-176.6178.7-178.80108.3N179 Q183N179-K181 PolarHBondContact O-N 3.18Å; K181-Q183 PolarHBondContact O-N 3.43Å
182P44.8Very low52.3Low85 Ų85109 Ų10955%0.55259%0.587SS**  trans-63.5114.3173.426.1-32.9000108.9I184P182-I184 PolarHBondContact O-N 2.79Å
183Q38.1Very low49.6Very low181 Ų181117.1 Ų117.185%0.84662%0.622SS**  trans-67.6104.4169.9-73.8-157.611.500108.8K181 V185K181-Q183 PolarHBondContact O-N 3.43Å; Q183-V185 PolarHBondContact O-N 2.9Å; Q183-V185 VanDerWaalsContact O-N 3.08Å
184I37.8Very low47.2Very low142 Ų142124.1 Ų124.173%0.72865%0.654SS**  trans-68.2102.9163-63.1173.2000106.1P182 D186P182-I184 PolarHBondContact O-N 2.79Å; I184-D186 PolarHBondContact O-N 2.81Å; I184-D186 VanDerWaalsContact O-N 3.1Å
185V35.9Very low45.1Very low99 Ų99127.6 Ų127.660%0.668%0.678SS**  trans-77.495.2177-177.90000108.3Q183 N187Q183-V185 PolarHBondContact O-N 2.9Å; Q183-V185 VanDerWaalsContact O-N 3.08Å; V185-N187 HydrophobicContact CG1-CB 4.25Å; V185-N187 PolarHBondContact O-N 2.86Å
186D29.4Very low42.8Very low131 Ų131128.5 Ų128.570%0.70169%0.694SS**  trans-69.761176.4-88.3-40.4000112.7I184 Q188I184-D186 PolarHBondContact O-N 2.81Å; I184-D186 VanDerWaalsContact O-N 3.1Å; D186-Q188 PolarHBondContact O-N 3.42Å
187N33.8Very low40.8Very low148 Ų148132.6 Ų132.679%0.79172%0.715SS**  trans-83.159172.7-89.3-17.4000111.8V185 T189V185-N187 HydrophobicContact CG1-CB 4.25Å; V185-N187 PolarHBondContact O-N 2.86Å; N187-T189 PolarHBondContact O-N 2.76Å
188Q37.2Very low38.9Very low168 Ų168136 Ų13679%0.78573%0.734SS**  trans-81.796.2162.1-70.2-170.445.700110.3D186D186-Q188 PolarHBondContact O-N 3.42Å
189T31.9Very low37Very low128 Ų128135.6 Ų135.679%0.78575%0.745SS**  trans-177.3152.6145.5-79.80000111.1N187N187-T189 PolarHBondContact O-N 2.76Å
190S32.8Very low35.1Very low97 Ų97136.4 Ų136.468%0.67875%0.748SS**  trans6166.2166.6530000118.4I192S190-I192 PolarHBondContact O-N 3.14Å
191S27.5Very low33.8Very low124 Ų124142.1 Ų142.187%0.86776%0.763SS**  trans-3.6107.1139.957.30000118.6
192I37.1Very low33Very low159 Ų159139.3 Ų139.382%0.81577%0.765SS**  trans-131135151.7-62.8-176.8000108.3S190S190-I192 PolarHBondContact O-N 3.14Å
193K30Very low32.2Very low188 Ų188142.9 Ų142.982%0.81778%0.779SS**  trans-85.1124.7175.7-63.3175.2-179.4175.80110.1
194L33.3Very low31.8Very low167 Ų167143.4 Ų143.487%0.87478%0.781SS**  trans-135.6122.4152.9-81.5176.5000109.1
195N30.1Very low31.5Very low152 Ų152145.4 Ų145.481%0.81379%0.788SS**  trans-93.6168.7174.5-64-6.2000109.7
196S29.7Very low31.1Very low101 Ų101146.8 Ų146.871%0.70680%0.796SS**  trans7092.2164.2-177.10000116.4
197L35.2Very low31.2Very low151 Ų151148 Ų14879%0.79180%0.803SS**  trans-132.730.2149.5-132.7160.3000112S199L197-S199 PolarHBondContact O-N 3.05Å
198D28.8Very low31Very low149 Ų149149 Ų14980%0.79781%0.806SS**  trans-77.693164.4-61.7-68.6000109.3
199S29.7Very low30.7Very low105 Ų105146.6 Ų146.673%0.73481%0.808SS**  trans-177.926.5160.938.90000116.6L197L197-S199 PolarHBondContact O-N 3.05Å
200L33.2Very low30.6Very low135 Ų135149 Ų14971%0.70781%0.813SS**SBendtrans-124.1146.6168.9-69.4174.4000111.5
201F29.8Very low30.5Very low204 Ų204149 Ų14990%0.89581%0.813SS**SBendtrans64.863.2-177.9-52.5-72000116.3
202S27Very low30.9Very low111 Ų111151.8 Ų151.878%0.77681%0.809SS**  trans-145.5118.9149.9-80.70000110
203N28.2Very low30.6Very low160 Ų160151.4 Ų151.486%0.85681%0.809SS**  trans164.979.1149.3-88-28.1000112
204H29.2Very low30.6Very low192 Ų192146.7 Ų146.789%0.88980%0.8SS**  trans-164.190.8141.3-113.362.5000111.1
205Q32.9Very low30.6Very low185 Ų185146.7 Ų146.786%0.86480%0.799SS**  trans-144111.6157-166160.670.800109.3
206T27Very low30.7Very low127 Ų127142.4 Ų142.478%0.77979%0.79SS**  trans-76.6130.1174.737.80000109.7
207N31.7Very low30.8Very low157 Ų157145.3 Ų145.384%0.8480%0.798SS**  trans-154.1150.4157.7-109.8-45.3000111.5
208I28.4Very low30.7Very low169 Ų169141.8 Ų141.887%0.86779%0.786SS**  trans-107.8120.7-163.4-61.6166.6000110.4
209S31.2Very low31Very low117 Ų117141.3 Ų141.382%0.81878%0.784SS**  trans-150.5141.8159.460.80000111.8
210M29.2Very low31.2Very low179 Ų179144.3 Ų144.388%0.88278%0.783SS**  trans-77.3155.5175.9-55167.4-82.700108.6
211S31.6Very low31.1Very low98 Ų98144.6 Ų144.669%0.68578%0.784SS**  cis-175.3150.942.257.70000114.6
212K35.4Very low31.1Very low181 Ų181139.8 Ų139.879%0.78778%0.776SS**  trans66119.9144.7-70.1170.8-1771770121
213N30.5Very low31.6Very low151 Ų151140 Ų14081%0.80777%0.774SS**  trans77.2139.8137.1-64.314000119.1
214S31.4Very low31.9Very low90 Ų90139.7 Ų139.763%0.62977%0.771SS**  cis-167.8148.5-18.7-155.30000111.1
215I32.3Very low32.1Very low167 Ų167138.4 Ų138.486%0.85677%0.771SS**  trans63.1131163.1-58.9148.8000116.3
216G33Very low32Very low61 Ų61132.1 Ų132.163%0.62976%0.756SS**  cis157.4151.9-9.300000113.8
217N31.3Very low32.6Very low162 Ų162132.5 Ų132.587%0.86676%0.758SS**  trans65.4148.9166-74.61.3000119.3
218S34.1Very low32.6Very low78 Ų78132 Ų13255%0.54576%0.756SS.*  cis-178159.2-17.952.10000111.3
219N34.1Very low32.8Very low139 Ų139130.5 Ų130.574%0.74376%0.758SS**  trans73.1148.4160.4-53.8-43.4000117.2
220K33.2Very low32.8Very low168 Ų168130.5 Ų130.573%0.7375%0.753SS**  cis-163.6147.2-11.5-119-175.1174.6-177.80111.4
221I30.9Very low33.2Very low141 Ų141130.1 Ų130.172%0.72375%0.749SS**  27133.8124.3-64.9175.1000117.4
222S31.7Very low33.3Very low103 Ų103133.2 Ų133.272%0.7275%0.753SS**  cis-171.6179.4-0.356.40000110.5
223P37.3Very low33Very low115 Ų115130.9 Ų130.975%0.74775%0.753SS**  trans-100177.6-17140.8-35.8000115
224I33.1Very low33.2Very low153 Ų153129.7 Ų129.779%0.78576%0.757SS**  trans-178.9159.5147.9-98.4154.8000111.5
225D33Very low33.1Very low165 Ų165129.2 Ų129.288%0.88276%0.758SS**  trans64.7150.2173.2-65.7-29.6000119.3
226G31.1Very low33Very low53 Ų53128.6 Ų128.655%0.54676%0.757SS.*  cis162158.1-7.200000113.7
227T39.6Very low33.1Very low136 Ų136132.3 Ų132.383%0.83477%0.767SS**  trans67.2163.4176.173.50000117.1
228N31.4Very low32.9Very low147 Ų147129 Ų12979%0.78676%0.763SS**  cis-167.2146.6-46.6-101.9-13.2000108.6
229C33.6Very low32.9Very low136 Ų136132.2 Ų132.292%0.91978%0.779SS**  trans-172.8141.9136.9-107.30000111.7
230T32.1Very low32.6Very low117 Ų117130.3 Ų130.372%0.71878%0.776SS**  trans-106.9166.2-176.646.70000111.6
231H36.4Very low32.6Very low171 Ų171129.9 Ų129.979%0.79278%0.781SS**  -163.8103.4127.5-104.7-70.5000114.1
232H34.2Very low32.5Very low164 Ų164127.3 Ų127.376%0.75978%0.776SS**  trans69.6146.8143.8-80.4-108.2000123.9
233V28.8Very low32.8Very low131 Ų131131.6 Ų131.679%0.79478%0.782SS**  trans-143.7147.7-178.4169.50000107.2
234S33.8Very low32.3Very low127 Ų127134 Ų13489%0.88878%0.783SS**  trans-162.2157.8154.9-90.80000110.9
235A30.5Very low32.3Very low80 Ų80133.7 Ų133.766%0.66178%0.783SS**  trans-149.2169.9-170.600000112.9
236N30.9Very low32.1Very low153 Ų153131.5 Ų131.582%0.81878%0.776SS**  trans65.2137.6160.7-56.8-17.1000119.3
237T33.4Very low32Very low140 Ų140133.2 Ų133.286%0.85979%0.785SS**  -177.4148.5123.2-740000109.1
238A28.8Very low31.5Very low93 Ų93135.3 Ų135.377%0.76979%0.79SS**  trans-127.2150.3177.600000111.7
239T32.9Very low31.2Very low145 Ų145132.9 Ų132.989%0.8978%0.784SS**  trans-157.4166.91641.30000111.8
240S28.4Very low31.1Very low98 Ų98135.8 Ų135.869%0.68578%0.784SS**  trans-120.7165.8-165.952.20000113.2
241L32.5Very low30.9Very low159 Ų159137.5 Ų137.583%0.83279%0.789SS**  171131.1120.7-89.4158.9000115.3
242S29.6Very low30.6Very low88 Ų88136.2 Ų136.262%0.61579%0.793SS**  trans-19.1149.2161.658.70000121.8
243K37.5Very low30.2Very low193 Ų193133.9 Ų133.984%0.83980%0.796SS**  -171.9158.9105.4-101.2166.4-174.4178.20114.7
244E26.9Very low30.3Very low164 Ų164136 Ų13677%0.76680%0.799SS**  trans-87.6161-176.4-50.4122.6106.400114.1
245N32.3Very low30Very low147 Ų147134.7 Ų134.779%0.78679%0.787SS**  -175.5119.9112.3-103-71.7000115.8
246T30.1Very low29.7Very low120 Ų120138.9 Ų138.974%0.73680%0.799SS**  54.492.7125.2-450000121.4
247A27.8Very low29.7Very low89 Ų89138.4 Ų138.474%0.73680%0.796SS**  trans13.7138.9136.600000122.8
248L29.5Very low29.3Very low180 Ų180139.3 Ų139.394%0.94280%0.796SS**  trans-155.3136.9133.2-117.6161.1000111.3
249S26Very low29.3Very low95 Ų95140.6 Ų140.666%0.66479%0.794SS**  trans-97.4152.8-170.7-40.20000113.6
250Q31.7Very low29.1Very low197 Ų197139.3 Ų139.392%0.92179%0.786SS**  trans-155.4152.4141.9-116.9161.561.100112.1
251N26.1Very low29.4Very low153 Ų153141.2 Ų141.282%0.81878%0.784SS**  trans-99.3142.4-163.1-46.8-41.8000112.4
252T30.6Very low29.4Very low144 Ų144137.2 Ų137.288%0.88376%0.761SS**  trans-133.9140.3147.2450000110
253S27.1Very low30Very low115 Ų115136.5 Ų136.580%0.80475%0.754SS**PPolyproline II helixtrans-87.2133-172.651.60000112.7
254M29.8Very low30.7Very low176 Ų176128.7 Ų128.787%0.86772%0.722SS**PPolyproline II helixtrans-91139161.7-72.8-67.8-74.600110
255P27.4Very low31.5Very low99 Ų99122 Ų12264%0.64370%0.695SS**PPolyproline II helixtrans-81.3149177.432.8-34.3000112.1N257P255-N257 PolarHBondContact O-N 3.28Å
256N25.4Very low32.4Very low169 Ų169115.4 Ų115.490%0.90466%0.66SS**  trans-67.4110.9169.2-71.3-8.7000110
257N29.4Very low33.2Very low142 Ų142111.7 Ų111.776%0.75964%0.635SS**  trans-101.2121.3165-84.7-8.5000109.6P255 V259P255-N257 PolarHBondContact O-N 3.28Å; N257-V259 PolarHBondContact O-N 3.1Å
258N26.1Very low34.2Very low160 Ų160108.6 Ų108.686%0.85661%0.606SS**  trans-76.5112.5179.6-156.829.3000109T260N258-T260 PolarHBondContact O-N 2.87Å
259V29Very low34.6Very low119 Ų119101 Ų10172%0.72157%0.566SS**  trans-84.3103.2-177.6-179.60000109.5N257 H261N257-V259 PolarHBondContact O-N 3.1Å; V259-H261 PolarHBondContact O-N 2.94Å
260T27.9Very low35.2Very low118 Ų11899.9 Ų99.972%0.72455%0.551SS**  trans-71114.4173.2-49.60000109.7N258 Q262N258-T260 PolarHBondContact O-N 2.87Å; T260-Q262 PolarHBondContact O-N 3.45Å
261H33.9Very low35.4Very low138 Ų13893.5 Ų93.564%0.63952%0.523SS*.  trans-60.6108176.7-66.3-104.5000110.7V259V259-H261 PolarHBondContact O-N 2.94Å
262Q33.1Very low35.7Very low75 Ų7590.6 Ų90.635%0.3550%0.503SS..PPolyproline II helixtrans-101.4142.2166.2-74.3-148-22.800110.5T260 L279 G280T260-Q262 PolarHBondContact O-N 3.45Å; Q262-L279 HydrophobicContact CB-CD2 4.29Å; Q262-L279 HydrophobicContact CB-CG 4.48Å; Q262-L279 VanDerWaalsContact OE1-CB 3.29Å; Q262-L279 VanDerWaalsContact OE1-CG 3.29Å; Q262-G280 PolarHBondContact NE2-O 2.96Å
263P41.9Very low35.6Very low74 Ų7491.8 Ų91.848%0.48150%0.499SS..PPolyproline II helixtrans-79.8129.9-171.831-35000112.7
264V53.5Low35.7Very low28 Ų2892.6 Ų92.617%0.1749%0.494CS..PPolyproline II helixtrans-98.6138.4174.5-69.10000111.8A127 Q160 I163A127-V264 HydrophobicContact CB-CG2 3.87Å; A127-V264 PolarHBondContact N-O 3.04Å; Q160-V264 HydrophobicContact CG-CG2 4.41Å; I163-V264 HydrophobicContact CB-CG2 4.07Å; I163-V264 HydrophobicContact CG2-CB 4.11Å; I163-V264 HydrophobicContact CG2-CG2 3.77Å
265A43.4Very low35.7Very low23 Ų2387.7 Ų87.719%0.1948%0.477CS..EExtended strand (participates in β ladder)trans-154.8147.1175.200000110.2F124 A125 W277F124-A265 HydrophobicContact CE1-CB 4.39Å; F124-A265 HydrophobicContact CE2-CB 4.4Å; F124-A265 HydrophobicContact CZ-CB 3.8Å; A125-A265 CarbonylContact O-C 3.52Å; A125-A265 WeakPolarHBondContact O-CA 3.27Å; A125-A265 WeakPolarHBondContact O-CB 3.43Å; A265-W277 VanDerWaalsContact O-CH2 3.27Å; A265-W277 WeakPolarHBondContact O-CH2 3.41Å; A265-W277 VanDerWaalsContact O-CZ3 3.27Å; A265-W277 WeakPolarHBondContact O-CZ3 3.44Å
266F51.5Low35.9Very low10 Ų1086.5 Ų86.54%0.04448%0.476CS..EExtended strand (participates in β ladder)trans-119.5159.5172.970.5-102.6000111.1F124 A125 I163 I166 F170 N268 W277F124-F266 WeakPolarHBondContact CD2-O 3.4Å; F124-F266 WeakPolarHBondContact CE2-O 3.47Å; A125-F266 HydrophobicContact CB-CD1 4.12Å; A125-F266 HydrophobicContact CB-CE1 3.3Å; A125-F266 HydrophobicContact CB-CE2 4.09Å; A125-F266 HydrophobicContact CB-CZ 3.24Å; A125-F266 PolarHBondContact N-O 2.92Å; A125-F266 PolarHBondContact O-N 3.06Å; I163-F266 HydrophobicContact CG2-CD1 4.41Å; I166-F266 HydrophobicContact CB-CE1 3.7Å; I166-F266 HydrophobicContact CB-CZ 4.2Å; I166-F266 HydrophobicContact CG2-CE1 3.36Å; I166-F266 HydrophobicContact CG2-CE2 4.43Å; I166-F266 HydrophobicContact CG2-CZ 3.32Å; F170-F266 AromaticContact CD2-CD2 3.86Å; F170-F266 HydrophobicContact CD2-CD2 3.86Å; F170-F266 HydrophobicContact CD2-CE1 4.29Å; F170-F266 AromaticContact CD2-CE2 3.3Å; F170-F266 HydrophobicContact CD2-CE2 3.3Å; F170-F266 AromaticContact CD2-CZ 3.56Å; F170-F266 HydrophobicContact CD2-CZ 3.56Å; F170-F266 HydrophobicContact CE2-CD2 4.26Å; F170-F266 HydrophobicContact CE2-CE1 4.41Å; F170-F266 AromaticContact CE2-CE2 3.27Å; F170-F266 HydrophobicContact CE2-CE2 3.27Å; F170-F266 AromaticContact CE2-CZ 3.38Å; F170-F266 HydrophobicContact CE2-CZ 3.38Å; F170-F266 HydrophobicContact CG-CE2 4.23Å; F170-F266 HydrophobicContact CZ-CE2 4.16Å; F170-F266 HydrophobicContact CZ-CZ 4.49Å; F266-N268 VanDerWaalsContact CD2-OD1 3.27Å; F266-N268 WeakPolarHBondContact CD2-OD1 3.17Å; F266-N268 WeakPolarHBondContact CE2-OD1 3.38Å; F266-W277 HydrophobicContact CB-CH2 3.7Å; F266-W277 HydrophobicContact CB-CZ2 3.72Å
267D45.7Very low36.4Very low41 Ų4181 Ų8122%0.21944%0.443CS..EExtended strand (participates in β ladder)trans-131.2137.2-178.4-170.635.3000112.8R48 F124 F269R48-D267 IonicContact CZ-OD1 3.54Å; R48-D267 IonicContact CZ-OD2 3.79Å; R48-D267 IonicContact NE-OD2 2.75Å; R48-D267 IonicContact NH1-OD1 3.18Å; R48-D267 PolarHBondContact NH1-OD1 2.96Å; R48-D267 IonicContact NH1-OD2 2.74Å; R48-D267 PolarHBondContact NH1-OD2 3.01Å; F124-D267 HydrophobicContact CD2-CB 3.9Å; F124-D267 HydrophobicContact CE2-CB 4.2Å; D267-F269 VanDerWaalsContact C-N 3.27Å; D267-F269 PolarHBondContact O-N 3.09Å; D267-F269 VanDerWaalsContact O-N 3.09Å; D267-F269 WeakPolarHBondContact OD2-CB 3.29Å
268N48.4Very low36.4Very low24 Ų2481.2 Ų81.213%0.12844%0.439CS..  trans-93.859.8-173.6-61.3-16.9000111K41 V122 S123 F170 F266K41-N268 VanDerWaalsContact CE-O 3.28Å; K41-N268 WeakPolarHBondContact CE-O 3.5Å; K41-N268 PolarHBondContact NZ-O 3.15Å; V122-N268 PolarHBondContact O-ND2 3.15Å; S123-N268 WeakPolarHBondContact CA-ND2 3.45Å; S123-N268 PolarHBondContact N-ND2 3.26Å; S123-N268 WeakPolarHBondContact O-CB 3.28Å; S123-N268 PolarHBondContact O-N 2.87Å; F170-N268 VanDerWaalsContact CD1-OD1 3.26Å; F170-N268 WeakPolarHBondContact CD1-OD1 3.32Å; F170-N268 HydrophobicContact CE1-CB 4.35Å; F170-N268 WeakPolarHBondContact CE1-ND2 3.48Å; F170-N268 WeakPolarHBondContact CE1-OD1 3.39Å; F170-N268 WeakPolarHBondContact CG-OD1 3.44Å; F170-N268 WeakPolarHBondContact CZ-ND2 3.49Å; F266-N268 VanDerWaalsContact CD2-OD1 3.27Å; F266-N268 WeakPolarHBondContact CD2-OD1 3.17Å; F266-N268 WeakPolarHBondContact CE2-OD1 3.38Å
269F38.4Very low36.5Very low22 Ų2279.8 Ų79.810%0.09643%0.43CS..SBendtrans-135.1155.3-175.5-137.8-93.7000110.5K41 D267 D271 P355 S448 H450K41-F269 HydrophobicContact CB-CD2 4.08Å; K41-F269 HydrophobicContact CB-CE2 3.98Å; K41-F269 HydrophobicContact CD-CD2 4.11Å; K41-F269 HydrophobicContact CD-CE2 4.46Å; K41-F269 HydrophobicContact CG-CD2 4.22Å; D267-F269 VanDerWaalsContact C-N 3.27Å; D267-F269 PolarHBondContact O-N 3.09Å; D267-F269 VanDerWaalsContact O-N 3.09Å; D267-F269 WeakPolarHBondContact OD2-CB 3.29Å; F269-D271 PolarHBondContact O-N 2.97Å; F269-P355 HydrophobicContact CD2-CB 4.14Å; F269-P355 HydrophobicContact CE2-CB 3.53Å; F269-P355 HydrophobicContact CZ-CB 3.93Å; F269-S448 WeakPolarHBondContact CE1-OG 3.14Å; F269-H450 HydrophobicContact CE1-CB 3.82Å; F269-H450 HydrophobicContact CZ-CB 4.21Å
270M39.6Very low36.5Very low71 Ų7176.5 Ų76.535%0.3542%0.421SS..SBendtrans-73.94.9-162-78.7-115.3179.300116.4Y174 F272 F445 P446Y174-M270 HydrophobicContact CE2-CE 3.7Å; Y174-M270 HydrophobicContact CE2-SD 4.39Å; Y174-M270 WeakPolarHBondContact OH-CE 3.16Å; Y174-M270 PolarHBondContact OH-SD 2.91Å; M270-F272 PolarHBondContact O-N 2.93Å; M270-F445 HydrophobicContact CE-CB 4.22Å; M270-P446 HydrophobicContact CE-CG 4.08Å
271D34.7Very low36.5Very low62 Ų6277 Ų7733%0.33242%0.419SS..  trans-83.543.5-172.2-58.6-65000113.6F269 E273 T451F269-D271 PolarHBondContact O-N 2.97Å; D271-E273 VanDerWaalsContact C-N 3.28Å; D271-E273 PolarHBondContact O-N 3.42Å; D271-T451 WeakPolarHBondContact OD1-CA 3.3Å; D271-T451 VanDerWaalsContact OD1-CB 3.23Å; D271-T451 WeakPolarHBondContact OD1-CB 3.47Å; D271-T451 WeakPolarHBondContact OD1-CG2 3.42Å; D271-T451 PolarHBondContact OD1-OG1 3.47Å
272F33.1Very low36.2Very low93 Ų9378.9 Ų78.941%0.40843%0.428SS..  trans-8558.2-178-122.6-74.7000112.9M270 W277M270-F272 PolarHBondContact O-N 2.93Å; F272-W277 AromaticContact CZ-NE1 3.95Å
273E28.2Very low36Very low168 Ų16881.6 Ų81.679%0.78544%0.443SS*.SBendtrans-108.381.1168.4-71.3-167.6157.400110.5D271 S275D271-E273 VanDerWaalsContact C-N 3.28Å; D271-E273 PolarHBondContact O-N 3.42Å; E273-S275 PolarHBondContact O-N 3.32Å; E273-S275 PolarHBondContact O-OG 2.86Å
274D29.6Very low35.3Very low132 Ų13283.6 Ų83.671%0.70646%0.459SS*.SBendtrans49-11.5167.4-93.215.7000120.7
275S29.5Very low34.2Very low73 Ų7387.1 Ų87.151%0.5149%0.485SS..  trans-116-8.4-160.6-54.40000115.4E273 W277 H278E273-S275 PolarHBondContact O-N 3.32Å; E273-S275 PolarHBondContact O-OG 2.86Å; S275-W277 PolarHBondContact O-N 3.12Å; S275-W277 VanDerWaalsContact O-N 3.11Å; S275-H278 PolarHBondContact O-CD2 3.19Å
276A31.7Very low33.7Very low75 Ų7593.1 Ų93.162%0.6251%0.514SS*.THydrogen-bonded Turntrans-69.6-5.8-17700000114.6
277W36.1Very low32.6Very low54 Ų5498.5 Ų98.521%0.20554%0.543CS..THydrogen-bonded Turntrans-112.711.6-171.5-72.2110.6000115.1A265 F266 F272 S275 L279A265-W277 VanDerWaalsContact O-CH2 3.27Å; A265-W277 WeakPolarHBondContact O-CH2 3.41Å; A265-W277 VanDerWaalsContact O-CZ3 3.27Å; A265-W277 WeakPolarHBondContact O-CZ3 3.44Å; F266-W277 HydrophobicContact CB-CH2 3.7Å; F266-W277 HydrophobicContact CB-CZ2 3.72Å; F272-W277 AromaticContact CZ-NE1 3.95Å; S275-W277 PolarHBondContact O-N 3.12Å; S275-W277 VanDerWaalsContact O-N 3.11Å; W277-L279 PolarHBondContact O-N 3.01Å; W277-L279 VanDerWaalsContact O-N 3.15Å
278H28.4Very low32Very low146 Ų146105.4 Ų105.468%0.67657%0.574SS**  trans-69.9110.9177.4-64.6-48.6000111.8S275 G280S275-H278 PolarHBondContact O-CD2 3.19Å; H278-G280 PolarHBondContact O-N 3.39Å; H278-G280 VanDerWaalsContact O-N 3.17Å
279L29.7Very low31.1Very low129 Ų129109.5 Ų109.568%0.67560%0.6SS**  trans-51.7119.7168.3-95.170.7000109.9Q262 W277 N281Q262-L279 HydrophobicContact CB-CD2 4.29Å; Q262-L279 HydrophobicContact CB-CG 4.48Å; Q262-L279 VanDerWaalsContact OE1-CB 3.29Å; Q262-L279 VanDerWaalsContact OE1-CG 3.29Å; W277-L279 PolarHBondContact O-N 3.01Å; W277-L279 VanDerWaalsContact O-N 3.15Å; L279-N281 PolarHBondContact O-N 3.18Å
280G29Very low30.7Very low51 Ų51115.2 Ų115.253%0.52663%0.632SS.*  trans-67.793.917900000110.8Q262 H278 E282Q262-G280 PolarHBondContact NE2-O 2.96Å; H278-G280 PolarHBondContact O-N 3.39Å; H278-G280 VanDerWaalsContact O-N 3.17Å; G280-E282 PolarHBondContact O-N 3Å
281N27Very low30.4Very low127 Ų127116.6 Ų116.668%0.67965%0.648SS**  trans-77.390.8-179.3-164.459.9000109.9L279 I283L279-N281 PolarHBondContact O-N 3.18Å; N281-I283 WeakPolarHBondContact ND2-CG1 3.46Å; N281-I283 PolarHBondContact O-N 3.32Å
282E27.7Very low30.4Very low178 Ų178118.1 Ų118.183%0.83267%0.67SS**  trans-65.990.9176.5-71.9-162.4154.700111.1G280 S284G280-E282 PolarHBondContact O-N 3Å; E282-S284 PolarHBondContact O-N 3.1Å; E282-S284 VanDerWaalsContact O-N 3.1Å
283I28.9Very low30.4Very low132 Ų132121.5 Ų121.568%0.67769%0.687SS**  trans-78.989.9169.8-61.1176.2000108.4N281 S285N281-I283 WeakPolarHBondContact ND2-CG1 3.46Å; N281-I283 PolarHBondContact O-N 3.32Å; I283-S285 PolarHBondContact O-N 3.3Å
284S26.6Very low30.5Very low116 Ų116121.8 Ų121.881%0.81168%0.682SS**  trans-68.1109.5163-62.40000109.9E282E282-S284 PolarHBondContact O-N 3.1Å; E282-S284 VanDerWaalsContact O-N 3.1Å
285S31.4Very low30.8Very low103 Ų103121.1 Ų121.172%0.7268%0.678SS**  trans-137.793.9171.364.70000111.4I283I283-S285 PolarHBondContact O-N 3.3Å
286D32.7Very low31.1Very low148 Ų148127 Ų12779%0.79170%0.695SS**  trans-68.6139168.5-95.4-58.5000111.7
287N27.7Very low31.3Very low123 Ų123128.6 Ų128.666%0.65870%0.699SS**  trans41.5101145.7-55.3-60.8000119.3
288Q34.5Very low31.2Very low186 Ų186131.5 Ų131.587%0.86973%0.727SS**  -174.8158.598.3-100.3159.858.400115.5
289T28.5Very low31.3Very low111 Ų111130.5 Ų130.568%0.68174%0.735SS**  trans-29.5152.5161.344.30000115.9
290D30.9Very low31.4Very low142 Ų142127.3 Ų127.376%0.75973%0.733SS**  cis-164.6162.745.8-135.4-26.9000117.2
291S32.2Very low31.6Very low99 Ų99130.5 Ų130.569%0.69274%0.743SS**  trans48.4126.2151.668.30000124.6
292A35.4Very low32.2Very low95 Ų95133.1 Ų133.179%0.78575%0.748SS**  trans62153.6146.800000120.2
293E32.7Very low32.5Very low163 Ų163134 Ų13476%0.76275%0.75SS**  cis-159-175.4-24.4-106-164.3130.500106.2
294Y31.6Very low32.8Very low174 Ų174133.4 Ų133.468%0.68276%0.757SS**  cis-157.9163.618.4-155.2-156.3000112.9
295N34.6Very low33.3Very low119 Ų119133.8 Ų133.864%0.63676%0.76SS**  trans33.9104.1152.4-73.9-11.4000124.3
296K35.4Very low33.5Very low196 Ų196133.2 Ų133.285%0.85276%0.761SS**  trans-44.8-173.2130.8-122.4177.4-178.4172.90113.8
297P37Very low33.9Very low109 Ų109135.2 Ų135.271%0.70877%0.766SS**  cis-146.6-177.4-1041.1-20.8000118.3
298S33.7Very low34.4Very low114 Ų114133.9 Ų133.980%0.79777%0.766SS**  94146.1130-152.50000124.8
299C30.5Very low34.5Very low125 Ų125131.4 Ų131.485%0.84576%0.758SS**  trans91.6133.3148.8-152.30000119.6
300G30.6Very low35.2Very low62 Ų62133.2 Ų133.264%0.63976%0.759SS**  cis150.5111.8-1300000116.5
301T34.8Very low35.6Very low118 Ų118132.3 Ų132.372%0.72476%0.755SS**  trans-165.5160176.749.20000112.8
302K39Very low35.8Very low182 Ų182134.2 Ų134.279%0.79175%0.752SS**  cis-167.8117-16.7-100.9164.2-175.2162.60112.4
303K33.6Very low36Very low198 Ų198136.3 Ų136.386%0.86175%0.75SS**  trans76.6162.4136.5-70.6-167.4169.5-169.80124.6
304S35.4Very low36.2Very low119 Ų119133.2 Ų133.283%0.83274%0.742SS**  trans68.2144.3176.960.80000117.7
305S38.4Very low36.5Very low124 Ų124133 Ų13387%0.86775%0.747SS**  cis-156.4176.8-1134.40000110.4
306A33.9Very low36.6Very low90 Ų90134.3 Ų134.374%0.74475%0.75SS**  trans-128.9-171.8-162.900000115.5
307Q41.6Very low36.6Very low191 Ų191131.8 Ų131.889%0.89375%0.745SS**  trans86141.4179-57.3177.5-86.700115.3
308S38.7Very low36.3Very low95 Ų95130.4 Ų130.466%0.66474%0.737SS**  cis-165.5156.1-851.60000113.1
309N35.9Very low36.5Very low133 Ų133133.6 Ų133.671%0.71174%0.74SS**  trans40.6149.8135.2-65.121.6000121.9
310Q44.1Very low36.5Very low149 Ų149136.1 Ų136.170%0.69674%0.739SS**  cis-170.4167.48.6-120168.4-45.500111.9
311N39.4Very low36.7Very low124 Ų124138.6 Ų138.666%0.66374%0.744SS**  trans68.6155.6147.3-73.630.1000121.7
312E36.7Very low36.4Very low138 Ų138137.8 Ų137.865%0.64574%0.743SS**  cis-173161.8-29.7-140.6-178.213200111.9
313L39.2Very low36.1Very low140 Ų140140.6 Ų140.673%0.73375%0.749SS**  trans64.5160.2160-63.7148000120
314T36.2Very low35.9Very low98 Ų98140.2 Ų140.260%0.60175%0.747SS**  cis-174.9135.5-37.3-97.20000112.6
315Q38.4Very low35.8Very low169 Ų169141 Ų14179%0.7974%0.741SS**  trans51.9166.1154.4-72167.4-29.300120.4
316E35.4Very low35.6Very low147 Ų147142.6 Ų142.669%0.68774%0.74SS**  cis-155.6174.43-135.3-177.4145.600113.5
317L36Very low35.4Very low142 Ų142148 Ų14874%0.74375%0.746SS**  trans14.5153.4152.4-10167000123.1
318S31.1Very low35Very low80 Ų80146 Ų14656%0.55975%0.747SS**  cis-167.6168.410.6-148.10000114.9
319Q38.3Very low34.6Very low182 Ų182146.3 Ų146.385%0.8576%0.755SS**  trans80.2144.9148.6-77.4153.657.200125.1
320Q30.9Very low34.4Very low177 Ų177143.4 Ų143.483%0.82776%0.756SS**  trans-127.5-172.8178.4-84.6-169-9.100108
321P34.5Very low33.9Very low114 Ų114143.3 Ų143.374%0.7477%0.766SS**  cis-15316219.844.2-21.6000122.2
322S28.7Very low33.6Very low101 Ų101147.1 Ų147.171%0.70678%0.776SS**  trans31.5126134.9-53.20000125.7
323R32.1Very low33.4Very low241 Ų241146.1 Ų146.191%0.90979%0.785SS**  trans-174.7123.2132.6-93.9149.7-166.9-156.64.5108.5
324K30.1Very low33.3Very low190 Ų190147 Ų14783%0.82679%0.789SS**  55.2132.781.5-72.2-170.2176.8-176.20113
325I32.8Very low33.4Very low136 Ų136147 Ų14770%0.69779%0.793SS**  cis-166.1174.122.8-133.2165.1000113.8
326N33.2Very low33.3Very low158 Ų158146.8 Ų146.885%0.84580%0.797SS**  trans85.2146161.9-81.1-7.4000124.1
327K29.6Very low33.7Very low202 Ų202148 Ų14888%0.87881%0.806SS**  trans-107.4160.9171.4-69.3175.1171.6178.50110.5
328V32.9Very low33.6Very low150 Ų150151.1 Ų151.191%0.90981%0.814SS**  -175.2155.8123.1143.70000109
329A30.4Very low33.9Very low102 Ų102151.3 Ų151.384%0.84382%0.821SS**  trans-92.3155.4-172.400000113.8
330G32.8Very low33.9Very low71 Ų71148.5 Ų148.573%0.73282%0.818SS**  trans-173.1107.9174.300000116.1
331V33.8Very low34Very low148 Ų148147.3 Ų147.390%0.89782%0.823SS**  trans64.9132.9150.2-166.60000120.6
332K31.5Very low34.1Very low203 Ų203144.8 Ų144.888%0.88382%0.817SS**  trans-44.2148.7170.5-54166.3-177.9178.60114.7
333S33.2Very low34.7Very low118 Ų118147.1 Ų147.183%0.82582%0.821SS**  trans-135.1145.8156.6-171.40000110.8
334I37.4Very low35.2Very low158 Ų158139 Ų13981%0.8180%0.8SS**  trans-118.8119.6177-65.1166.2000107.5
335S39.3Very low35.9Very low99 Ų99136.2 Ų136.269%0.69279%0.794SS**  trans176.2126.4141.235.10000113.3
336N34.6Very low37Very low163 Ų163131.9 Ų131.987%0.87277%0.77SS**  trans13103.7145.4-55.5-13000118.6
337I45Very low37.9Very low172 Ų172132.3 Ų132.388%0.88277%0.767SS**  trans-120.2129.3145.7-61.5-178.4000107.7
338K33.3Very low39.5Very low208 Ų208131.3 Ų131.390%0.90477%0.765SS**  trans-90.9106.4-171.3-170.6178.3-176.7-179.40110.1
339A36.6Very low41.3Very low85 Ų85125.7 Ų125.770%0.70273%0.729SS**  trans-66.4151174.600000111.7
340P38.9Very low43.6Very low123 Ų123124.6 Ų124.680%0.79971%0.707SS**  trans-71.3160.9177.330.9-35.6000112.2G342P340-G342 PolarHBondContact O-N 2.96Å; P340-G342 VanDerWaalsContact O-N 3.17Å
341V34.3Very low45.7Very low152 Ų152121.9 Ų121.992%0.92168%0.676SS**  trans-66.1111.7-178.1-1770000110.2
342G35.2Very low47.5Very low61 Ų61119.6 Ų119.663%0.62966%0.662SS**PPolyproline II helixtrans-84.2166.2176.900000113.6P340P340-G342 PolarHBondContact O-N 2.96Å; P340-G342 VanDerWaalsContact O-N 3.17Å
343L42.7Very low49.3Very low150 Ų150110.6 Ų110.679%0.78563%0.627SS**PPolyproline II helixtrans-63.8153.7171.8-81.368000110.8N345L343-N345 PolarHBondContact O-N 3.4Å
344P40.8Very low51.5Low71 Ų71106.1 Ų106.146%0.46159%0.593SS.*PPolyproline II helixtrans-63.2132.3167.926-32000110.9F346P344-F346 HydrophobicContact CG-CD2 4.43Å; P344-F346 HydrophobicContact CG-CE2 3.71Å; P344-F346 HydrophobicContact CG-CZ 3.94Å; P344-F346 WeakPolarHBondContact O-CD2 3.33Å; P344-F346 PolarHBondContact O-N 3.16Å
345N46.1Very low53.4Low131 Ų13199.5 Ų99.570%0.70156%0.561SS**  trans-75.587.7179.1-82.59.1000111.2L343 E347L343-N345 PolarHBondContact O-N 3.4Å; N345-E347 PolarHBondContact O-N 3.02Å
346F55Low55.7Low45 Ų4595.2 Ų95.220%0.19753%0.529CS..G310 helixtrans-63.9-13.7175.2-64-90.3000114.2P344 H348 L349 G386P344-F346 HydrophobicContact CG-CD2 4.43Å; P344-F346 HydrophobicContact CG-CE2 3.71Å; P344-F346 HydrophobicContact CG-CZ 3.94Å; P344-F346 WeakPolarHBondContact O-CD2 3.33Å; P344-F346 PolarHBondContact O-N 3.16Å; F346-H348 PolarHBondContact O-N 3.34Å; F346-H348 VanDerWaalsContact O-N 3.17Å; F346-L349 HydrophobicContact CD1-CD1 3.98Å; F346-L349 WeakPolarHBondContact O-CB 3.43Å; F346-L349 PolarHBondContact O-N 2.9Å; F346-G386 VanDerWaalsContact CB-CA 3.44Å; F346-G386 WeakPolarHBondContact CD1-O 3.48Å
347E52.9Low58.4Low166 Ų16688.4 Ų88.478%0.77649%0.492SS*.G310 helixtrans-59.3-25.3179.3-64.3-177.914300113.2N345 L349N345-E347 PolarHBondContact O-N 3.02Å; E347-L349 PolarHBondContact O-N 3.46Å
348H62.6Low60.4Low182 Ų18280.9 Ų80.984%0.84345%0.454SS*.G310 helixtrans-79.30.7177.9-155.865.2000114F346F346-H348 PolarHBondContact O-N 3.34Å; F346-H348 VanDerWaalsContact O-N 3.17Å
349L70.9Confident63.1Low31 Ų3172 Ų7216%0.16242%0.42CS..G310 helixtrans-98.9-7.1178.5-58.4175.9000113.5F346 E347 P351 F388 A404 G408 V410F346-L349 HydrophobicContact CD1-CD1 3.98Å; F346-L349 WeakPolarHBondContact O-CB 3.43Å; F346-L349 PolarHBondContact O-N 2.9Å; E347-L349 PolarHBondContact O-N 3.46Å; L349-P351 WeakPolarHBondContact O-CD 3.34Å; L349-F388 HydrophobicContact CB-CD2 4.45Å; L349-F388 HydrophobicContact CB-CE2 3.9Å; L349-A404 HydrophobicContact CD1-CB 4.44Å; L349-G408 WeakPolarHBondContact CD1-O 3.37Å; L349-V410 HydrophobicContact CD2-CG2 4.24Å
350E79.5Confident65.7Low80 Ų8075.9 Ų75.937%0.37442%0.422SS..  trans-74.1117.5-175.4-168.8157.2169.500111V352 Y357 F388E350-V352 HydrophobicContact CB-CG2 4.19Å; E350-V352 HydrophobicContact CG-CG2 3.81Å; E350-V352 PolarHBondContact O-N 3.16Å; E350-Y357 HydrophobicContact CG-CE1 3.66Å; E350-Y357 WeakPolarHBondContact CG-OH 3.18Å; E350-Y357 VanDerWaalsContact OE1-CE1 3.32Å; E350-Y357 WeakPolarHBondContact OE1-CE1 3.49Å; E350-Y357 PolarHBondContact OE1-OH 2.87Å; E350-F388 HydrophobicContact CB-CE1 4.09Å; E350-F388 HydrophobicContact CB-CZ 3.75Å; E350-F388 HydrophobicContact CG-CE1 3.88Å; E350-F388 HydrophobicContact CG-CZ 4.04Å
351P77.3Confident68.2Low14 Ų1470.6 Ų70.69%0.09139%0.386CS..  trans-81.664.7-176.532.9-31.8000110.5L349 G353 E354 W356 Y357 I420L349-P351 WeakPolarHBondContact O-CD 3.34Å; P351-G353 PolarHBondContact O-N 3.28Å; P351-E354 HydrophobicContact CB-CG 4.5Å; P351-W356 HydrophobicContact CB-CH2 3.71Å; P351-W356 HydrophobicContact CB-CZ3 3.89Å; P351-W356 HydrophobicContact CG-CH2 3.93Å; P351-W356 HydrophobicContact CG-CZ3 3.6Å; P351-Y357 HydrophobicContact CG-CD1 4.35Å; P351-Y357 HydrophobicContact CG-CD2 3.72Å; P351-Y357 HydrophobicContact CG-CE2 4.28Å; P351-Y357 HydrophobicContact CG-CG 3.78Å; P351-Y357 WeakPolarHBondContact O-CB 3.12Å; P351-Y357 VanDerWaalsContact O-CD1 3.3Å; P351-Y357 WeakPolarHBondContact O-CD1 3.39Å; P351-I420 HydrophobicContact CG-CB 4.32Å; P351-I420 HydrophobicContact CG-CG2 4.08Å
352V71.1Confident71Confident99 Ų9965.2 Ų65.260%0.636%0.356SS*.THydrogen-bonded Turntrans-61.4119.4-176-179.60000110.3E350E350-V352 HydrophobicContact CB-CG2 4.19Å; E350-V352 HydrophobicContact CG-CG2 3.81Å; E350-V352 PolarHBondContact O-N 3.16Å
353G69.2Low73.7Confident14 Ų1468.8 Ų68.814%0.14435%0.35CS..THydrogen-bonded Turntrans95.412.1171.500000116.9S39 K41 P351S39-G353 VanDerWaalsContact CB-O 3.28Å; S39-G353 WeakPolarHBondContact CB-O 3.45Å; S39-G353 PolarHBondContact OG-O 2.84Å; K41-G353 CarbonylContact C-O 3.54Å; K41-G353 WeakPolarHBondContact CB-O 3.29Å; P351-G353 PolarHBondContact O-N 3.28Å
354E79.1Confident76.1Confident25 Ų2564.8 Ų64.812%0.11734%0.335CS..  trans-96.2142177.3-61.2-76-17200109.4K141 R147 P351 W356 Y357 Q421K141-E354 WeakPolarHBondContact CE-OE1 3.35Å; K141-E354 IonicContact NZ-OE1 3.91Å; K141-E354 PolarHBondContact NZ-OE1 2.83Å; R147-E354 IonicContact CZ-OE1 3.05Å; R147-E354 IonicContact NH2-OE1 2.92Å; R147-E354 PolarHBondContact NH2-OE1 3.38Å; R147-E354 IonicContact NH2-OE2 2.68Å; R147-E354 PolarHBondContact NH2-OE2 2.94Å; P351-E354 HydrophobicContact CB-CG 4.5Å; E354-W356 HydrophobicContact CB-CD2 4.26Å; E354-W356 HydrophobicContact CB-CH2 4.17Å; E354-W356 HydrophobicContact CB-CZ2 3.91Å; E354-W356 HydrophobicContact CB-CZ3 4.46Å; E354-W356 HydrophobicContact CG-CZ2 4.38Å; E354-W356 PolarHBondContact O-N 3.12Å; E354-W356 VanDerWaalsContact O-N 3.14Å; E354-Y357 PolarHBondContact O-N 2.93Å; E354-Q421 VanDerWaalsContact CD-CD 3.47Å; E354-Q421 VanDerWaalsContact OE1-CD 3.25Å; E354-Q421 PolarHBondContact OE1-NE2 2.79Å; E354-Q421 PolarHBondContact OE1-OE1 2.86Å; E354-Q421 VanDerWaalsContact OE1-OE1 3.12Å
355P77.1Confident78.6Confident19 Ų1966.2 Ų66.212%0.12334%0.335CS..THydrogen-bonded Turntrans-62.2-31.3-162.822.3-33.8000114.1K41 F269 P446 S448K41-P355 HydrophobicContact CD-CG 4.44Å; F269-P355 HydrophobicContact CD2-CB 4.14Å; F269-P355 HydrophobicContact CE2-CB 3.53Å; F269-P355 HydrophobicContact CZ-CB 3.93Å; P355-P446 HydrophobicContact CG-CB 4.34Å; P355-P446 HydrophobicContact CG-CG 4.49Å; P355-S448 WeakPolarHBondContact O-CA 3.4Å; P355-S448 WeakPolarHBondContact O-CB 3.31Å
356W87.7Confident80.8Confident9 Ų960 Ų603%0.03430%0.302CS..THydrogen-bonded Turntrans-83.4-7.5176.742-103000113.3P351 E354 F376 L377 V378 I420 I424 P446P351-W356 HydrophobicContact CB-CH2 3.71Å; P351-W356 HydrophobicContact CB-CZ3 3.89Å; P351-W356 HydrophobicContact CG-CH2 3.93Å; P351-W356 HydrophobicContact CG-CZ3 3.6Å; E354-W356 HydrophobicContact CB-CD2 4.26Å; E354-W356 HydrophobicContact CB-CH2 4.17Å; E354-W356 HydrophobicContact CB-CZ2 3.91Å; E354-W356 HydrophobicContact CB-CZ3 4.46Å; E354-W356 HydrophobicContact CG-CZ2 4.38Å; E354-W356 PolarHBondContact O-N 3.12Å; E354-W356 VanDerWaalsContact O-N 3.14Å; W356-F376 HydrophobicContact CB-CD2 4.12Å; W356-F376 HydrophobicContact CB-CE2 3.64Å; W356-F376 HydrophobicContact CB-CZ 4.33Å; W356-F376 AromaticContact CD1-CE2 3.7Å; W356-F376 AromaticContact CD1-CZ 3.91Å; W356-F376 HydrophobicContact CD2-CE2 4.33Å; W356-F376 HydrophobicContact CG-CD2 4.47Å; W356-F376 AromaticContact CG-CE2 3.61Å; W356-F376 HydrophobicContact CG-CE2 3.61Å; W356-F376 HydrophobicContact CG-CZ 4.24Å; W356-L377 CarbonylContact O-C 3.52Å; W356-L377 WeakPolarHBondContact O-CA 3.41Å; W356-L377 WeakPolarHBondContact O-CB 3.48Å; W356-V378 HydrophobicContact CD2-CG2 4.39Å; W356-V378 HydrophobicContact CE3-CB 3.63Å; W356-V378 HydrophobicContact CE3-CG2 3.45Å; W356-V378 VanDerWaalsContact CE3-CG2 3.45Å; W356-V378 HydrophobicContact CZ3-CB 3.74Å; W356-V378 HydrophobicContact CZ3-CG1 4.39Å; W356-V378 HydrophobicContact CZ3-CG2 3.59Å; W356-V378 PolarHBondContact O-N 2.94Å; W356-I420 HydrophobicContact CH2-CG2 3.84Å; W356-I420 HydrophobicContact CZ3-CG2 3.98Å; W356-I424 HydrophobicContact CD2-CG1 4.37Å; W356-I424 HydrophobicContact CD2-CG2 4.31Å; W356-I424 HydrophobicContact CE3-CG1 4.42Å; W356-I424 HydrophobicContact CH2-CB 4.28Å; W356-I424 HydrophobicContact CH2-CG1 3.76Å; W356-I424 HydrophobicContact CZ2-CB 3.66Å; W356-I424 HydrophobicContact CZ2-CG1 3.64Å; W356-I424 HydrophobicContact CZ2-CG2 3.91Å; W356-I424 HydrophobicContact CZ3-CG1 4.16Å; W356-P446 HydrophobicContact CB-CB 3.72Å; W356-P446 HydrophobicContact CG-CB 4.16Å
357Y90.9Very high82.7Confident20 Ų2059.3 Ų59.38%0.07830%0.299CS..EExtended strand (participates in β ladder)trans-90109.1-179.6-176.1-116.9000111.7E350 P351 E354 V378 A380 F388E350-Y357 HydrophobicContact CG-CE1 3.66Å; E350-Y357 WeakPolarHBondContact CG-OH 3.18Å; E350-Y357 VanDerWaalsContact OE1-CE1 3.32Å; E350-Y357 WeakPolarHBondContact OE1-CE1 3.49Å; E350-Y357 PolarHBondContact OE1-OH 2.87Å; P351-Y357 HydrophobicContact CG-CD1 4.35Å; P351-Y357 HydrophobicContact CG-CD2 3.72Å; P351-Y357 HydrophobicContact CG-CE2 4.28Å; P351-Y357 HydrophobicContact CG-CG 3.78Å; P351-Y357 WeakPolarHBondContact O-CB 3.12Å; P351-Y357 VanDerWaalsContact O-CD1 3.3Å; P351-Y357 WeakPolarHBondContact O-CD1 3.39Å; E354-Y357 PolarHBondContact O-N 2.93Å; Y357-V378 WeakPolarHBondContact CA-O 3.47Å; Y357-V378 HydrophobicContact CD2-CB 4.29Å; Y357-V378 HydrophobicContact CD2-CG1 4.25Å; Y357-V378 VanDerWaalsContact CD2-O 3.26Å; Y357-V378 WeakPolarHBondContact CD2-O 3.42Å; Y357-A380 WeakPolarHBondContact OH-CB 3.29Å; Y357-F388 HydrophobicContact CE2-CD1 4.01Å; Y357-F388 HydrophobicContact CE2-CE1 4.04Å
358V88.4Confident84.6Confident14 Ų1457 Ų579%0.08529%0.292CS..EExtended strand (participates in β ladder)trans-102.118.6-172.5-57.20000113.6M361 L377 V378 R379 T449V358-M361 HydrophobicContact CB-CE 3.64Å; V358-M361 HydrophobicContact CG1-CE 4.26Å; V358-M361 HydrophobicContact CG2-CB 3.97Å; V358-M361 HydrophobicContact CG2-CE 3.42Å; V358-M361 VanDerWaalsContact CG2-CE 3.42Å; V358-M361 HydrophobicContact CG2-CG 4.48Å; V358-M361 HydrophobicContact CG2-SD 3.71Å; V358-L377 HydrophobicContact CG1-CB 4.2Å; V358-L377 HydrophobicContact CG1-CD2 4.29Å; V358-L377 HydrophobicContact CG2-CD1 3.75Å; V358-L377 HydrophobicContact CG2-CD2 4.41Å; V358-L377 HydrophobicContact CG2-CG 4.5Å; V358-V378 PolarHBondContact N-O 2.79Å; V358-R379 HydrophobicContact CG2-CB 3.82Å; V358-T449 HydrophobicContact CB-CG2 3.97Å; V358-T449 HydrophobicContact CG1-CG2 3.89Å
359G89.3Confident85.9Confident20 Ų2050.8 Ų50.821%0.20627%0.265CS..EExtended strand (participates in β ladder)trans64.8-144.9-178.800000113.4M361 R379 A380G359-M361 PolarHBondContact O-N 2.89Å; G359-R379 CarbonylContact O-C 3.51Å; G359-R379 VanDerWaalsContact O-CA 3.31Å; G359-R379 WeakPolarHBondContact O-CA 3.47Å; G359-A380 PolarHBondContact O-N 3.4Å
360K90.9Very high86.9Confident167 Ų16749.4 Ų49.473%0.72626%0.258SS*.EExtended strand (participates in β ladder)trans-80.7104.8179.8-69.7173.1-176.31690110.7A380 I382K360-A380 HydrophobicContact CG-CB 3.88Å; K360-I382 HydrophobicContact CB-CG1 4.47Å
361M90.9Very high87.3Confident12 Ų1254.4 Ų54.46%0.05927%0.274CS..  trans-133.2143.5-177.5-173.2-172.6-77.300112.3V358 G359 Q365 A366 L369 L377 R379 T449V358-M361 HydrophobicContact CB-CE 3.64Å; V358-M361 HydrophobicContact CG1-CE 4.26Å; V358-M361 HydrophobicContact CG2-CB 3.97Å; V358-M361 HydrophobicContact CG2-CE 3.42Å; V358-M361 VanDerWaalsContact CG2-CE 3.42Å; V358-M361 HydrophobicContact CG2-CG 4.48Å; V358-M361 HydrophobicContact CG2-SD 3.71Å; G359-M361 PolarHBondContact O-N 2.89Å; M361-Q365 HydrophobicContact CG-CB 3.42Å; M361-Q365 VanDerWaalsContact CG-CB 3.42Å; M361-Q365 HydrophobicContact CG-CG 4.43Å; M361-Q365 HydrophobicContact SD-CB 3.83Å; M361-A366 HydrophobicContact SD-CB 3.87Å; M361-A366 PolarHBondContact SD-N 3Å; M361-A366 VanDerWaalsContact SD-N 3.43Å; M361-L369 HydrophobicContact CE-CD1 3.43Å; M361-L369 VanDerWaalsContact CE-CD1 3.43Å; M361-L369 HydrophobicContact SD-CD1 3.93Å; M361-L377 HydrophobicContact SD-CD2 4.38Å; M361-R379 HydrophobicContact CB-CB 3.83Å; M361-R379 HydrophobicContact CB-CG 4.48Å; M361-R379 WeakPolarHBondContact O-CD 3.16Å; M361-R379 PolarHBondContact O-NH1 3.29Å; M361-T449 HydrophobicContact CE-CG2 3.35Å
362S92.7Very high87.8Confident40 Ų4061.5 Ų61.528%0.2830%0.299SS..  trans-72.8166.7173.872.40000112.3Q365 A366S362-Q365 VanDerWaalsContact CB-OE1 3.26Å; S362-Q365 WeakPolarHBondContact OG-CB 3.34Å; S362-Q365 WeakPolarHBondContact OG-CG 3.3Å; S362-Q365 PolarHBondContact OG-N 2.71Å; S362-Q365 PolarHBondContact OG-OE1 2.95Å; S362-A366 PolarHBondContact O-N 2.68Å
363R92.1Very high88.7Confident135 Ų13560.4 Ų60.451%0.50929%0.29SS..Hα-helixtrans-60.8-51176.5-174.4-172.1157.7148.47.4111.7Q365 A366 E367 H400R363-Q365 PolarHBondContact O-N 3.38Å; R363-A366 WeakPolarHBondContact O-CB 3.18Å; R363-A366 PolarHBondContact O-N 3Å; R363-A366 VanDerWaalsContact O-N 3.09Å; R363-E367 HydrophobicContact CG-CG 4.39Å; R363-E367 IonicContact CZ-OE1 3.34Å; R363-E367 IonicContact NE-OE1 3.52Å; R363-E367 PolarHBondContact NE-OE1 2.82Å; R363-E367 IonicContact NE-OE2 3.83Å; R363-E367 IonicContact NH2-OE1 3.11Å; R363-E367 PolarHBondContact NH2-OE1 3.44Å; R363-E367 WeakPolarHBondContact O-CG 3.28Å; R363-E367 PolarHBondContact O-N 2.82Å; R363-H400 VanDerWaalsContact CZ-CD2 3.47Å; R363-H400 PolarHBondContact NE-CD2 3.19Å; R363-H400 PolarHBondContact NE-NE2 2.85Å
364S93Very high89.6Confident66 Ų6659.8 Ų59.846%0.46228%0.284SS..Hα-helixtrans-65.6-34.9-177.1169.30000113.3A366 E367 N368S364-A366 VanDerWaalsContact C-N 3.29Å; S364-A366 PolarHBondContact O-N 3.3Å; S364-E367 WeakPolarHBondContact CA-OE2 3.32Å; S364-E367 PolarHBondContact O-N 2.82Å; S364-N368 PolarHBondContact O-N 2.92Å; S364-N368 PolarHBondContact O-ND2 3.39Å; S364-N368 PolarHBondContact O-OD1 3.2Å
365Q93.2Very high90.1Very high101 Ų10159.1 Ų59.147%0.47228%0.281SS..Hα-helixtrans-62.5-38172.5-75.6166.1-61.800111.9M361 S362 R363 N368 L369M361-Q365 HydrophobicContact CG-CB 3.42Å; M361-Q365 VanDerWaalsContact CG-CB 3.42Å; M361-Q365 HydrophobicContact CG-CG 4.43Å; M361-Q365 HydrophobicContact SD-CB 3.83Å; S362-Q365 VanDerWaalsContact CB-OE1 3.26Å; S362-Q365 WeakPolarHBondContact OG-CB 3.34Å; S362-Q365 WeakPolarHBondContact OG-CG 3.3Å; S362-Q365 PolarHBondContact OG-N 2.71Å; S362-Q365 PolarHBondContact OG-OE1 2.95Å; R363-Q365 PolarHBondContact O-N 3.38Å; Q365-N368 PolarHBondContact O-N 3.03Å; Q365-L369 WeakPolarHBondContact O-CG 3.02Å
366A93.1Very high90.9Very high0 Ų058.3 Ų58.30%028%0.276CS..Hα-helixtrans-68.7-44.7175.200000111.6M361 S362 R363 S364 N368 L369 L370 L377M361-A366 HydrophobicContact SD-CB 3.87Å; M361-A366 PolarHBondContact SD-N 3Å; M361-A366 VanDerWaalsContact SD-N 3.43Å; S362-A366 PolarHBondContact O-N 2.68Å; R363-A366 WeakPolarHBondContact O-CB 3.18Å; R363-A366 PolarHBondContact O-N 3Å; R363-A366 VanDerWaalsContact O-N 3.09Å; S364-A366 VanDerWaalsContact C-N 3.29Å; S364-A366 PolarHBondContact O-N 3.3Å; A366-N368 PolarHBondContact O-N 2.72Å; A366-L369 PolarHBondContact O-N 3.48Å; A366-L370 WeakPolarHBondContact O-CD1 3.49Å; A366-L370 VanDerWaalsContact O-CG 3.3Å; A366-L370 WeakPolarHBondContact O-CG 3.08Å; A366-L370 PolarHBondContact O-N 2.86Å; A366-L377 HydrophobicContact CB-CD1 3.83Å; A366-L377 HydrophobicContact CB-CD2 4.15Å; A366-L377 HydrophobicContact CB-CG 4.38Å
367E94.7Very high91.2Very high31 Ų3157.9 Ų57.915%0.14527%0.274CS..Hα-helixtrans-58.2-31.6176.1-66.4170.5137.900112R363 S364 Y398 H400R363-E367 HydrophobicContact CG-CG 4.39Å; R363-E367 IonicContact CZ-OE1 3.34Å; R363-E367 IonicContact NE-OE1 3.52Å; R363-E367 PolarHBondContact NE-OE1 2.82Å; R363-E367 IonicContact NE-OE2 3.83Å; R363-E367 IonicContact NH2-OE1 3.11Å; R363-E367 PolarHBondContact NH2-OE1 3.44Å; R363-E367 WeakPolarHBondContact O-CG 3.28Å; R363-E367 PolarHBondContact O-N 2.82Å; S364-E367 WeakPolarHBondContact CA-OE2 3.32Å; S364-E367 PolarHBondContact O-N 2.82Å; E367-Y398 HydrophobicContact CB-CD1 4.21Å; E367-Y398 HydrophobicContact CB-CD2 3.98Å; E367-Y398 HydrophobicContact CB-CE1 4.21Å; E367-Y398 HydrophobicContact CB-CE2 3.98Å; E367-Y398 HydrophobicContact CB-CG 4.11Å; E367-Y398 HydrophobicContact CG-CD1 4.11Å; E367-Y398 HydrophobicContact CG-CD2 3.75Å; E367-Y398 HydrophobicContact CG-CE2 4.29Å; E367-Y398 HydrophobicContact CG-CG 3.67Å; E367-Y398 VanDerWaalsContact O-CE1 3.3Å; E367-Y398 WeakPolarHBondContact O-CE1 3.4Å; E367-Y398 PolarHBondContact O-OH 2.88Å; E367-H400 IonicContact OE1-NE2 3.51Å; E367-H400 PolarHBondContact OE1-NE2 2.78Å
368N92.6Very high91.3Very high118 Ų11856.9 Ų56.963%0.63127%0.27SS*.THydrogen-bonded Turntrans-75.4-17.8175.9-67.3-15.2000114.9S364 Q365 A366S364-N368 PolarHBondContact O-N 2.92Å; S364-N368 PolarHBondContact O-ND2 3.39Å; S364-N368 PolarHBondContact O-OD1 3.2Å; Q365-N368 PolarHBondContact O-N 3.03Å; A366-N368 PolarHBondContact O-N 2.72Å
369L90.2Very high91.5Very high51 Ų5157.2 Ų57.227%0.26727%0.27SS..THydrogen-bonded Turntrans-94.8-27.7-178.2-69.8172000112.7M361 Q365 A366 R371 L377 V447 T449M361-L369 HydrophobicContact CE-CD1 3.43Å; M361-L369 VanDerWaalsContact CE-CD1 3.43Å; M361-L369 HydrophobicContact SD-CD1 3.93Å; Q365-L369 WeakPolarHBondContact O-CG 3.02Å; A366-L369 PolarHBondContact O-N 3.48Å; L369-R371 PolarHBondContact O-N 2.88Å; L369-L377 HydrophobicContact CB-CD2 4.13Å; L369-L377 HydrophobicContact CD1-CD2 4.03Å; L369-V447 HydrophobicContact CB-CG1 3.91Å; L369-T449 HydrophobicContact CD1-CG2 3.62Å
370L91.4Very high91.6Very high3 Ų356.6 Ų56.62%0.01626%0.263CS..  trans-81.8110.2179.7-58164.4000109.1A366 D375 L377 L393 Y398 V447A366-L370 WeakPolarHBondContact O-CD1 3.49Å; A366-L370 VanDerWaalsContact O-CG 3.3Å; A366-L370 WeakPolarHBondContact O-CG 3.08Å; A366-L370 PolarHBondContact O-N 2.86Å; L370-D375 HydrophobicContact CB-CB 4.3Å; L370-D375 HydrophobicContact CD2-CB 3.77Å; L370-L377 HydrophobicContact CD2-CD2 4.38Å; L370-L377 HydrophobicContact CD2-CG 4.31Å; L370-L393 HydrophobicContact CB-CB 4.04Å; L370-L393 HydrophobicContact CB-CD2 4.48Å; L370-Y398 HydrophobicContact CB-CD1 4.31Å; L370-Y398 HydrophobicContact CB-CE1 4.09Å; L370-Y398 HydrophobicContact CD1-CD1 4.2Å; L370-V447 HydrophobicContact CD2-CB 4.46Å; L370-V447 HydrophobicContact CD2-CG2 4.19Å
371R88Confident91.4Very high185 Ų18549.5 Ų49.570%0.69824%0.235SC*.  trans-108.3-28.3-171.1-64.3-178.8-176.1175.93.8113.6L369 D375L369-R371 PolarHBondContact O-N 2.88Å; R371-D375 PolarHBondContact N-OD2 3.11Å
372Y89.2Confident91.1Very high162 Ų16253.9 Ų53.964%0.63526%0.257SS*.SBendtrans-129.5154.5-174.9-52.6-72.4000112.3G374 D375Y372-G374 PolarHBondContact O-N 2.83Å; Y372-D375 PolarHBondContact N-OD2 2.89Å; Y372-D375 WeakPolarHBondContact O-CB 3.45Å; Y372-D375 PolarHBondContact O-N 3.3Å; Y372-D375 VanDerWaalsContact O-N 3.09Å
373D89.2Confident90.6Very high77 Ų7760.6 Ų60.641%0.41228%0.284SS..THydrogen-bonded Turntrans-65.4127.1173.8-76.9-33.4000110.5L393 Q394 D395 G396D373-L393 WeakPolarHBondContact CA-O 3.43Å; D373-Q394 WeakPolarHBondContact OD1-CA 3.48Å; D373-Q394 PolarHBondContact OD1-N 3.32Å; D373-D395 VanDerWaalsContact CG-N 3.3Å; D373-D395 PolarHBondContact OD1-N 3.34Å; D373-D395 PolarHBondContact OD2-N 2.86Å; D373-G396 PolarHBondContact OD1-N 3.12Å; D373-G396 PolarHBondContact OD2-N 2.87Å
374G86.9Confident90.1Very high1 Ų158.9 Ų58.91%0.0128%0.282CS..THydrogen-bonded Turntrans101.1-12.3-170.600000114.3Y372 L393 I444 F445Y372-G374 PolarHBondContact O-N 2.83Å; G374-L393 PolarHBondContact N-O 3.48Å; G374-I444 PolarHBondContact O-N 3.43Å; G374-F445 PolarHBondContact O-N 3.36Å
375D89.7Confident89.5Confident10 Ų1061.4 Ų61.45%0.05330%0.297CS..EExtended strand (participates in β ladder)trans-65.2138.3171.3-71.51.3000110.6L370 R371 Y372 G392 L393 F445 V447L370-D375 HydrophobicContact CB-CB 4.3Å; L370-D375 HydrophobicContact CD2-CB 3.77Å; R371-D375 PolarHBondContact N-OD2 3.11Å; Y372-D375 PolarHBondContact N-OD2 2.89Å; Y372-D375 WeakPolarHBondContact O-CB 3.45Å; Y372-D375 PolarHBondContact O-N 3.3Å; Y372-D375 VanDerWaalsContact O-N 3.09Å; D375-G392 CarbonylContact O-C 3.59Å; D375-G392 WeakPolarHBondContact O-CA 3.41Å; D375-L393 PolarHBondContact O-N 2.95Å; D375-F445 WeakPolarHBondContact CA-O 3.49Å; D375-V447 HydrophobicContact CB-CG2 3.81Å
376F94.3Very high88.8Confident2 Ų257.7 Ų57.71%0.00929%0.285CS..EExtended strand (participates in β ladder)trans-150.4154.2175.375.8-83.3000113.9W356 L390 S391 I424 V428 L443 F445 P446 V447W356-F376 HydrophobicContact CB-CD2 4.12Å; W356-F376 HydrophobicContact CB-CE2 3.64Å; W356-F376 HydrophobicContact CB-CZ 4.33Å; W356-F376 AromaticContact CD1-CE2 3.7Å; W356-F376 AromaticContact CD1-CZ 3.91Å; W356-F376 HydrophobicContact CD2-CE2 4.33Å; W356-F376 HydrophobicContact CG-CD2 4.47Å; W356-F376 AromaticContact CG-CE2 3.61Å; W356-F376 HydrophobicContact CG-CE2 3.61Å; W356-F376 HydrophobicContact CG-CZ 4.24Å; F376-L390 HydrophobicContact CB-CD1 4.05Å; F376-L390 HydrophobicContact CD2-CD1 3.91Å; F376-L390 HydrophobicContact CG-CD1 4.41Å; F376-S391 CarbonylContact C-O 3.59Å; F376-S391 WeakPolarHBondContact CA-O 3.25Å; F376-I424 HydrophobicContact CE2-CD1 4.33Å; F376-I424 HydrophobicContact CE2-CG2 3.56Å; F376-I424 HydrophobicContact CZ-CG2 3.84Å; F376-V428 HydrophobicContact CE1-CG2 4.07Å; F376-V428 HydrophobicContact CZ-CG2 3.82Å; F376-L443 HydrophobicContact CB-CD2 3.7Å; F376-L443 HydrophobicContact CD1-CB 3.72Å; F376-L443 HydrophobicContact CD1-CD2 4.18Å; F376-L443 HydrophobicContact CD1-CG 4.45Å; F376-L443 HydrophobicContact CD2-CB 4.49Å; F376-L443 HydrophobicContact CD2-CD1 4.3Å; F376-L443 HydrophobicContact CD2-CD2 4.18Å; F376-L443 HydrophobicContact CE1-CB 3.77Å; F376-L443 HydrophobicContact CE2-CD1 4.4Å; F376-L443 HydrophobicContact CG-CB 4.1Å; F376-L443 HydrophobicContact CG-CD2 3.75Å; F376-L443 HydrophobicContact CG-CG 4.35Å; F376-L443 HydrophobicContact CZ-CB 4.19Å; F376-F445 VanDerWaalsContact CD1-O 3.27Å; F376-F445 WeakPolarHBondContact CD1-O 3.41Å; F376-F445 PolarHBondContact N-O 3.12Å; F376-P446 HydrophobicContact CE1-CB 4.13Å; F376-P446 HydrophobicContact CE2-CB 4.39Å; F376-P446 HydrophobicContact CZ-CB 3.84Å; F376-V447 PolarHBondContact O-N 2.93Å
377L93.6Very high88.5Confident0 Ų058.6 Ų58.60%029%0.289CS..EExtended strand (participates in β ladder)trans-146.3158.9170.464.378.3000110.8W356 V358 M361 A366 L369 L370 R379 L390 S391 V447W356-L377 CarbonylContact O-C 3.52Å; W356-L377 WeakPolarHBondContact O-CA 3.41Å; W356-L377 WeakPolarHBondContact O-CB 3.48Å; V358-L377 HydrophobicContact CG1-CB 4.2Å; V358-L377 HydrophobicContact CG1-CD2 4.29Å; V358-L377 HydrophobicContact CG2-CD1 3.75Å; V358-L377 HydrophobicContact CG2-CD2 4.41Å; V358-L377 HydrophobicContact CG2-CG 4.5Å; M361-L377 HydrophobicContact SD-CD2 4.38Å; A366-L377 HydrophobicContact CB-CD1 3.83Å; A366-L377 HydrophobicContact CB-CD2 4.15Å; A366-L377 HydrophobicContact CB-CG 4.38Å; L369-L377 HydrophobicContact CB-CD2 4.13Å; L369-L377 HydrophobicContact CD1-CD2 4.03Å; L370-L377 HydrophobicContact CD2-CD2 4.38Å; L370-L377 HydrophobicContact CD2-CG 4.31Å; L377-R379 HydrophobicContact CD1-CB 4.29Å; L377-R379 HydrophobicContact CD1-CG 4.45Å; L377-L390 CarbonylContact O-C 3.52Å; L377-S391 PolarHBondContact N-O 3.21Å; L377-S391 PolarHBondContact O-N 2.85Å; L377-S391 VanDerWaalsContact O-O 3.06Å; L377-V447 HydrophobicContact CB-CB 4.49Å; L377-V447 WeakPolarHBondContact CB-O 3.3Å; L377-V447 HydrophobicContact CD2-CG1 4.5Å
378V94.1Very high88.3Confident0 Ų057.3 Ų57.30%028%0.283CS..EExtended strand (participates in β ladder)trans-114.9134.9170.9-177.60000109W356 Y357 V358 F388 L390 L403 I420 I424W356-V378 HydrophobicContact CD2-CG2 4.39Å; W356-V378 HydrophobicContact CE3-CB 3.63Å; W356-V378 HydrophobicContact CE3-CG2 3.45Å; W356-V378 VanDerWaalsContact CE3-CG2 3.45Å; W356-V378 HydrophobicContact CZ3-CB 3.74Å; W356-V378 HydrophobicContact CZ3-CG1 4.39Å; W356-V378 HydrophobicContact CZ3-CG2 3.59Å; W356-V378 PolarHBondContact O-N 2.94Å; Y357-V378 WeakPolarHBondContact CA-O 3.47Å; Y357-V378 HydrophobicContact CD2-CB 4.29Å; Y357-V378 HydrophobicContact CD2-CG1 4.25Å; Y357-V378 VanDerWaalsContact CD2-O 3.26Å; Y357-V378 WeakPolarHBondContact CD2-O 3.42Å; V358-V378 PolarHBondContact N-O 2.79Å; V378-F388 HydrophobicContact CG1-CB 4.23Å; V378-L390 HydrophobicContact CG2-CB 4.32Å; V378-L390 HydrophobicContact CG2-CD1 4.09Å; V378-L403 HydrophobicContact CB-CD1 4.47Å; V378-L403 HydrophobicContact CG1-CD1 3.59Å; V378-L403 HydrophobicContact CG2-CD1 3.98Å; V378-I420 HydrophobicContact CG1-CG2 4.36Å; V378-I424 HydrophobicContact CG2-CD1 3.87Å; V378-I424 HydrophobicContact CG2-CG1 4.23Å
379R92.9Very high88.3Confident20 Ų2052.3 Ų52.38%0.07526%0.257CS..EExtended strand (participates in β ladder)trans-130142.1178.463.6-163177.671.49.3111.6V358 G359 M361 L377 V389 S391V358-R379 HydrophobicContact CG2-CB 3.82Å; G359-R379 CarbonylContact O-C 3.51Å; G359-R379 VanDerWaalsContact O-CA 3.31Å; G359-R379 WeakPolarHBondContact O-CA 3.47Å; M361-R379 HydrophobicContact CB-CB 3.83Å; M361-R379 HydrophobicContact CB-CG 4.48Å; M361-R379 WeakPolarHBondContact O-CD 3.16Å; M361-R379 PolarHBondContact O-NH1 3.29Å; L377-R379 HydrophobicContact CD1-CB 4.29Å; L377-R379 HydrophobicContact CD1-CG 4.45Å; R379-V389 HydrophobicContact CG-CB 4.24Å; R379-V389 PolarHBondContact N-O 2.98Å; R379-V389 PolarHBondContact O-N 3.04Å; R379-S391 PolarHBondContact NE-OG 3.23Å
380A90.6Very high88.5Confident8 Ų849.9 Ų49.97%0.06624%0.244CC..EExtended strand (participates in β ladder)trans-65.7137.8166.200000110Y357 G359 K360 I382 F388Y357-A380 WeakPolarHBondContact OH-CB 3.29Å; G359-A380 PolarHBondContact O-N 3.4Å; K360-A380 HydrophobicContact CG-CB 3.88Å; A380-I382 PolarHBondContact O-N 3.47Å; A380-F388 HydrophobicContact CB-CD1 4.2Å; A380-F388 HydrophobicContact CB-CE1 3.98Å
381S86.3Confident88.7Confident18 Ų1849.8 Ų49.813%0.12624%0.244CC..  trans-75.3115.9-178-175.90000111.2Q383 Q384 Q387S381-Q383 PolarHBondContact O-N 2.91Å; S381-Q384 WeakPolarHBondContact CB-O 3.49Å; S381-Q384 CarbonylContact O-C 3.49Å; S381-Q384 PolarHBondContact O-N 3.03Å; S381-Q384 PolarHBondContact OG-N 3.45Å; S381-Q387 VanDerWaalsContact CB-O 3.31Å; S381-Q387 WeakPolarHBondContact CB-O 3.26Å; S381-Q387 PolarHBondContact N-O 3.28Å
382I85.5Confident89Confident104 Ų10441 Ų4153%0.53321%0.211SC..THydrogen-bonded Turntrans-59.5-30174.3-61.8177.2000111.6K360 A380K360-I382 HydrophobicContact CB-CG1 4.47Å; A380-I382 PolarHBondContact O-N 3.47Å
383Q82.8Confident89.1Confident181 Ų18133.8 Ų33.885%0.84618%0.183SC*.THydrogen-bonded Turntrans-88.9-19.4-177-67.2177.8-13.200113.8S381S381-Q383 PolarHBondContact O-N 2.91Å
384Q81.1Confident89.2Confident98 Ų9831.4 Ų31.446%0.45817%0.169SC..SBendtrans-14193.7-172.7-68.9178.7-900109.4S381 G386 Q387S381-Q384 WeakPolarHBondContact CB-O 3.49Å; S381-Q384 CarbonylContact O-C 3.49Å; S381-Q384 PolarHBondContact O-N 3.03Å; S381-Q384 PolarHBondContact OG-N 3.45Å; Q384-G386 PolarHBondContact O-N 2.95Å; Q384-Q387 HydrophobicContact CB-CB 3.84Å; Q384-Q387 HydrophobicContact CB-CG 3.9Å; Q384-Q387 WeakPolarHBondContact O-CB 3.24Å; Q384-Q387 PolarHBondContact O-N 2.74Å; Q384-Q387 VanDerWaalsContact O-N 3.1Å
385P80.8Confident89.4Confident120 Ų12036 Ų3678%0.77919%0.194SC*.THydrogen-bonded Turntrans-53.9139.3175.2-26.435.7000111.9Q387P385-Q387 PolarHBondContact O-N 3.08Å
386G78.8Confident89.3Confident22 Ų2238.3 Ų38.323%0.22722%0.22CC..THydrogen-bonded Turntrans78-2.8-17600000115.6F346 Q384F346-G386 VanDerWaalsContact CB-CA 3.44Å; F346-G386 WeakPolarHBondContact CD1-O 3.48Å; Q384-G386 PolarHBondContact O-N 2.95Å
387Q86.6Confident89.2Confident19 Ų1944.7 Ų44.79%0.08925%0.248CC..  trans-102.6140.7175.4-69.6-64.3-27.300112S381 Q384 P385 L402 A404 D405S381-Q387 VanDerWaalsContact CB-O 3.31Å; S381-Q387 WeakPolarHBondContact CB-O 3.26Å; S381-Q387 PolarHBondContact N-O 3.28Å; Q384-Q387 HydrophobicContact CB-CB 3.84Å; Q384-Q387 HydrophobicContact CB-CG 3.9Å; Q384-Q387 WeakPolarHBondContact O-CB 3.24Å; Q384-Q387 PolarHBondContact O-N 2.74Å; Q384-Q387 VanDerWaalsContact O-N 3.1Å; P385-Q387 PolarHBondContact O-N 3.08Å; Q387-L402 HydrophobicContact CB-CD1 4.04Å; Q387-L402 HydrophobicContact CG-CD1 4.49Å; Q387-A404 PolarHBondContact OE1-O 2.77Å; Q387-A404 VanDerWaalsContact OE1-O 3.11Å; Q387-D405 PolarHBondContact NE2-O 3.02Å
388F90.7Very high89.2Confident4 Ų449.5 Ų49.52%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-122.8139.6-175.8-63-87.8000110.5L349 E350 Y357 V378 A380 L403 I420L349-F388 HydrophobicContact CB-CD2 4.45Å; L349-F388 HydrophobicContact CB-CE2 3.9Å; E350-F388 HydrophobicContact CB-CE1 4.09Å; E350-F388 HydrophobicContact CB-CZ 3.75Å; E350-F388 HydrophobicContact CG-CE1 3.88Å; E350-F388 HydrophobicContact CG-CZ 4.04Å; Y357-F388 HydrophobicContact CE2-CD1 4.01Å; Y357-F388 HydrophobicContact CE2-CE1 4.04Å; V378-F388 HydrophobicContact CG1-CB 4.23Å; A380-F388 HydrophobicContact CB-CD1 4.2Å; A380-F388 HydrophobicContact CB-CE1 3.98Å; F388-L403 HydrophobicContact CB-CB 4.43Å; F388-L403 HydrophobicContact CB-CD1 4.3Å; F388-L403 PolarHBondContact O-N 3Å; F388-I420 HydrophobicContact CB-CD1 3.42Å; F388-I420 VanDerWaalsContact CB-CD1 3.42Å; F388-I420 HydrophobicContact CD1-CD1 4.08Å; F388-I420 HydrophobicContact CD2-CD1 3.52Å; F388-I420 HydrophobicContact CE2-CD1 4.33Å; F388-I420 HydrophobicContact CG-CD1 3.38Å
389V92.4Very high89.1Confident13 Ų1350.9 Ų50.98%0.07927%0.272CS..EExtended strand (participates in β ladder)trans-123.8111.4-175.6-174.50000109.8R379 S391 H400 L401 L402R379-V389 HydrophobicContact CG-CB 4.24Å; R379-V389 PolarHBondContact N-O 2.98Å; R379-V389 PolarHBondContact O-N 3.04Å; V389-S391 PolarHBondContact O-N 3.26Å; V389-H400 HydrophobicContact CG1-CB 3.88Å; V389-L401 CarbonylContact C-O 3.58Å; V389-L401 VanDerWaalsContact CA-O 3.32Å; V389-L401 WeakPolarHBondContact CA-O 3.38Å; V389-L402 HydrophobicContact CG2-CD1 4.07Å
390L94Very high89Confident1 Ų152.1 Ų52.11%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-67.9126.9162.7168.762.8000108.3F376 L377 V378 H400 L401 L403 I424 I434 L443F376-L390 HydrophobicContact CB-CD1 4.05Å; F376-L390 HydrophobicContact CD2-CD1 3.91Å; F376-L390 HydrophobicContact CG-CD1 4.41Å; L377-L390 CarbonylContact O-C 3.52Å; V378-L390 HydrophobicContact CG2-CB 4.32Å; V378-L390 HydrophobicContact CG2-CD1 4.09Å; L390-H400 CarbonylContact O-C 3.57Å; L390-H400 VanDerWaalsContact O-CA 3.28Å; L390-H400 WeakPolarHBondContact O-CA 3.42Å; L390-L401 HydrophobicContact CB-CB 4.44Å; L390-L401 HydrophobicContact CD2-CD1 4.36Å; L390-L401 PolarHBondContact N-O 3.13Å; L390-L401 PolarHBondContact O-N 3.01Å; L390-L403 HydrophobicContact CB-CD1 3.93Å; L390-L403 HydrophobicContact CB-CD2 3.67Å; L390-L403 HydrophobicContact CB-CG 3.91Å; L390-L403 HydrophobicContact CD2-CD2 4.18Å; L390-I424 HydrophobicContact CD1-CD1 4Å; L390-I424 HydrophobicContact CD2-CD1 4.3Å; L390-I434 HydrophobicContact CD2-CD1 3.43Å; L390-I434 VanDerWaalsContact CD2-CD1 3.43Å; L390-L443 HydrophobicContact CD1-CD1 4.41Å; L390-L443 HydrophobicContact CD1-CD2 3.98Å; L390-L443 HydrophobicContact CD2-CD1 4.15Å; L390-L443 HydrophobicContact CD2-CD2 4.07Å; L390-L443 HydrophobicContact CG-CD2 4.5Å
391S94.4Very high88.9Confident0 Ų053.1 Ų53.10%028%0.282CS..EExtended strand (participates in β ladder)trans-125.1126.1177.5-55.70000107.8F376 L377 R379 V389 R399 H400F376-S391 CarbonylContact C-O 3.59Å; F376-S391 WeakPolarHBondContact CA-O 3.25Å; L377-S391 PolarHBondContact N-O 3.21Å; L377-S391 PolarHBondContact O-N 2.85Å; L377-S391 VanDerWaalsContact O-O 3.06Å; R379-S391 PolarHBondContact NE-OG 3.23Å; V389-S391 PolarHBondContact O-N 3.26Å; S391-R399 WeakPolarHBondContact CA-O 3.21Å; S391-H400 VanDerWaalsContact CB-ND1 3.26Å; S391-H400 WeakPolarHBondContact CB-ND1 3.34Å; S391-H400 PolarHBondContact OG-ND1 3.42Å
392G94.2Very high89.1Confident0 Ų056.5 Ų56.50%030%0.298CS..EExtended strand (participates in β ladder)trans-155.8170.6177.300000112.7D375 Y398 R399D375-G392 CarbonylContact O-C 3.59Å; D375-G392 WeakPolarHBondContact O-CA 3.41Å; G392-Y398 WeakPolarHBondContact O-CA 3.23Å; G392-R399 PolarHBondContact N-O 3.31Å; G392-R399 PolarHBondContact O-N 3.29Å
393L92.4Very high89.2Confident12 Ų1251.7 Ų51.76%0.06327%0.274CS..EExtended strand (participates in β ladder)trans-112.9126.5-172.8177.454.2000109.6L370 D373 G374 D375 Y398L370-L393 HydrophobicContact CB-CB 4.04Å; L370-L393 HydrophobicContact CB-CD2 4.48Å; D373-L393 WeakPolarHBondContact CA-O 3.43Å; G374-L393 PolarHBondContact N-O 3.48Å; D375-L393 PolarHBondContact O-N 2.95Å; L393-Y398 HydrophobicContact CB-CD1 4.3Å; L393-Y398 HydrophobicContact CD1-CD1 3.95Å; L393-Y398 HydrophobicContact CD1-CE1 4.03Å; L393-Y398 HydrophobicContact CD2-CE1 4.11Å; L393-Y398 HydrophobicContact CG-CE1 4.47Å
394Q91.6Very high89.1Confident26 Ų2643.3 Ų43.312%0.12124%0.235CC..EExtended strand (participates in β ladder)trans-150.3132.5179.3175.974.669.100109.5D373 G396 K397 R399 I441 R442D373-Q394 WeakPolarHBondContact OD1-CA 3.48Å; D373-Q394 PolarHBondContact OD1-N 3.32Å; Q394-G396 VanDerWaalsContact C-N 3.25Å; Q394-G396 PolarHBondContact O-N 2.92Å; Q394-K397 PolarHBondContact N-O 3.22Å; Q394-K397 VanDerWaalsContact N-O 3.11Å; Q394-K397 PolarHBondContact O-N 2.9Å; Q394-K397 VanDerWaalsContact O-O 3.11Å; Q394-R399 PolarHBondContact O-NE 2.96Å; Q394-R399 PolarHBondContact O-NH2 3.4Å; Q394-I441 HydrophobicContact CB-CG1 4.25Å; Q394-R442 VanDerWaalsContact OE1-N 3.13Å
395D89.7Confident88.8Confident98 Ų9839.3 Ų39.352%0.52422%0.217SC..THydrogen-bonded Turntrans54.139-175.2-34.3-38.4000112.6D373 K397 R399D373-D395 VanDerWaalsContact CG-N 3.3Å; D373-D395 PolarHBondContact OD1-N 3.34Å; D373-D395 PolarHBondContact OD2-N 2.86Å; D395-K397 PolarHBondContact O-N 2.83Å; D395-R399 VanDerWaalsContact CG-NH2 3.35Å; D395-R399 IonicContact OD2-CZ 2.77Å; D395-R399 IonicContact OD2-NH1 2.75Å; D395-R399 IonicContact OD2-NH2 3.21Å; D395-R399 PolarHBondContact OD2-NH2 2.77Å
396G89.2Confident88.3Confident58 Ų5838.6 Ų38.660%0.59821%0.213SC*.THydrogen-bonded Turntrans67.213.1-175.100000114.8D373 Q394D373-G396 PolarHBondContact OD1-N 3.12Å; D373-G396 PolarHBondContact OD2-N 2.87Å; Q394-G396 VanDerWaalsContact C-N 3.25Å; Q394-G396 PolarHBondContact O-N 2.92Å
397K92.3Very high87.9Confident137 Ų13743.5 Ų43.560%0.59623%0.234SC*.EExtended strand (participates in β ladder)trans-120.8125.1-177.2-65.6166-173.9167.30111.3Q394 D395Q394-K397 PolarHBondContact N-O 3.22Å; Q394-K397 VanDerWaalsContact N-O 3.11Å; Q394-K397 PolarHBondContact O-N 2.9Å; Q394-K397 VanDerWaalsContact O-O 3.11Å; D395-K397 PolarHBondContact O-N 2.83Å
398Y92.9Very high87.2Confident100 Ų10043.4 Ų43.439%0.39224%0.238SC..EExtended strand (participates in β ladder)trans-66.6131.2169.6-52.5-65.1000111E367 L370 G392 L393E367-Y398 HydrophobicContact CB-CD1 4.21Å; E367-Y398 HydrophobicContact CB-CD2 3.98Å; E367-Y398 HydrophobicContact CB-CE1 4.21Å; E367-Y398 HydrophobicContact CB-CE2 3.98Å; E367-Y398 HydrophobicContact CB-CG 4.11Å; E367-Y398 HydrophobicContact CG-CD1 4.11Å; E367-Y398 HydrophobicContact CG-CD2 3.75Å; E367-Y398 HydrophobicContact CG-CE2 4.29Å; E367-Y398 HydrophobicContact CG-CG 3.67Å; E367-Y398 VanDerWaalsContact O-CE1 3.3Å; E367-Y398 WeakPolarHBondContact O-CE1 3.4Å; E367-Y398 PolarHBondContact O-OH 2.88Å; L370-Y398 HydrophobicContact CB-CD1 4.31Å; L370-Y398 HydrophobicContact CB-CE1 4.09Å; L370-Y398 HydrophobicContact CD1-CD1 4.2Å; G392-Y398 WeakPolarHBondContact O-CA 3.23Å; L393-Y398 HydrophobicContact CB-CD1 4.3Å; L393-Y398 HydrophobicContact CD1-CD1 3.95Å; L393-Y398 HydrophobicContact CD1-CE1 4.03Å; L393-Y398 HydrophobicContact CD2-CE1 4.11Å; L393-Y398 HydrophobicContact CG-CE1 4.47Å
399R91.3Very high86.6Confident30 Ų3048.6 Ų48.611%0.11326%0.26CS..EExtended strand (participates in β ladder)trans-126.4135.3-179.2-63.2167.2-157.6-1364.3108.3S391 G392 Q394 D395 S439 E440 I441S391-R399 WeakPolarHBondContact CA-O 3.21Å; G392-R399 PolarHBondContact N-O 3.31Å; G392-R399 PolarHBondContact O-N 3.29Å; Q394-R399 PolarHBondContact O-NE 2.96Å; Q394-R399 PolarHBondContact O-NH2 3.4Å; D395-R399 VanDerWaalsContact CG-NH2 3.35Å; D395-R399 IonicContact OD2-CZ 2.77Å; D395-R399 IonicContact OD2-NH1 2.75Å; D395-R399 IonicContact OD2-NH2 3.21Å; D395-R399 PolarHBondContact OD2-NH2 2.77Å; R399-S439 WeakPolarHBondContact CD-OG 3.26Å; R399-S439 PolarHBondContact NH1-OG 3.43Å; R399-E440 WeakPolarHBondContact CD-O 3.43Å; R399-E440 PolarHBondContact NH1-O 3.08Å; R399-I441 HydrophobicContact CB-CD1 4.26Å
400H91.2Very high86.2Confident45 Ų4548.1 Ų48.121%0.20826%0.258CS..EExtended strand (participates in β ladder)trans-129120.6-176.9-54.3-73.7000109.9R363 E367 V389 L390 S391R363-H400 VanDerWaalsContact CZ-CD2 3.47Å; R363-H400 PolarHBondContact NE-CD2 3.19Å; R363-H400 PolarHBondContact NE-NE2 2.85Å; E367-H400 IonicContact OE1-NE2 3.51Å; E367-H400 PolarHBondContact OE1-NE2 2.78Å; V389-H400 HydrophobicContact CG1-CB 3.88Å; L390-H400 CarbonylContact O-C 3.57Å; L390-H400 VanDerWaalsContact O-CA 3.28Å; L390-H400 WeakPolarHBondContact O-CA 3.42Å; S391-H400 VanDerWaalsContact CB-ND1 3.26Å; S391-H400 WeakPolarHBondContact CB-ND1 3.34Å; S391-H400 PolarHBondContact OG-ND1 3.42Å
401L89.8Confident85.6Confident29 Ų2953.2 Ų53.215%0.15228%0.277CS..EExtended strand (participates in β ladder)trans-121.6126-173.4-58.6179.8000110V389 L390 I434 S436 I441V389-L401 CarbonylContact C-O 3.58Å; V389-L401 VanDerWaalsContact CA-O 3.32Å; V389-L401 WeakPolarHBondContact CA-O 3.38Å; L390-L401 HydrophobicContact CB-CB 4.44Å; L390-L401 HydrophobicContact CD2-CD1 4.36Å; L390-L401 PolarHBondContact N-O 3.13Å; L390-L401 PolarHBondContact O-N 3.01Å; L401-I434 HydrophobicContact CD1-CB 4.26Å; L401-I434 HydrophobicContact CD1-CG2 3.58Å; L401-S436 VanDerWaalsContact CD2-OG 3.27Å; L401-S436 WeakPolarHBondContact CD2-OG 3.04Å; L401-I441 HydrophobicContact CD1-CG2 3.7Å
402L88.7Confident85.1Confident89 Ų8954.1 Ų54.147%0.46628%0.283SS..EExtended strand (participates in β ladder)trans-71.8125.4170.8-160.475.3000108.6Q387 V389Q387-L402 HydrophobicContact CB-CD1 4.04Å; Q387-L402 HydrophobicContact CG-CD1 4.49Å; V389-L402 HydrophobicContact CG2-CD1 4.07Å
403L87.8Confident84.2Confident4 Ų460.8 Ų60.82%0.02131%0.311CS..  trans-92.5-32.2-171.1-66.3175.8000113.9V378 F388 L390 V410 R411 I420 L423V378-L403 HydrophobicContact CB-CD1 4.47Å; V378-L403 HydrophobicContact CG1-CD1 3.59Å; V378-L403 HydrophobicContact CG2-CD1 3.98Å; F388-L403 HydrophobicContact CB-CB 4.43Å; F388-L403 HydrophobicContact CB-CD1 4.3Å; F388-L403 PolarHBondContact O-N 3Å; L390-L403 HydrophobicContact CB-CD1 3.93Å; L390-L403 HydrophobicContact CB-CD2 3.67Å; L390-L403 HydrophobicContact CB-CG 3.91Å; L390-L403 HydrophobicContact CD2-CD2 4.18Å; L403-V410 WeakPolarHBondContact O-CA 3.48Å; L403-R411 PolarHBondContact O-N 2.79Å; L403-I420 HydrophobicContact CB-CD1 4.42Å; L403-I420 HydrophobicContact CB-CG1 4.48Å; L403-I420 HydrophobicContact CD1-CD1 4.24Å; L403-I420 HydrophobicContact CD1-CG1 4.41Å; L403-I420 HydrophobicContact CD1-CG2 3.73Å; L403-L423 HydrophobicContact CD2-CD1 3.91Å; L403-L423 HydrophobicContact CD2-CD2 3.84Å
404A82.2Confident83.6Confident4 Ų465.8 Ų65.83%0.03333%0.334CS..BIsolated β-bridgetrans-100.4149.7175.200000110L349 Q387L349-A404 HydrophobicContact CD1-CB 4.44Å; Q387-A404 PolarHBondContact OE1-O 2.77Å; Q387-A404 VanDerWaalsContact OE1-O 3.11Å
405D74.4Confident83.3Confident14 Ų1470.5 Ų70.58%0.07535%0.351CS..  trans-91.6173.6167.684.87.3000111.9Q387 N407 G408 K409 R411Q387-D405 PolarHBondContact NE2-O 3.02Å; D405-N407 PolarHBondContact O-N 3.31Å; D405-N407 WeakPolarHBondContact OD1-CA 3.29Å; D405-N407 VanDerWaalsContact OD1-CB 3.29Å; D405-N407 WeakPolarHBondContact OD1-CB 3.49Å; D405-N407 PolarHBondContact OD1-N 3.29Å; D405-N407 PolarHBondContact OD1-ND2 3.37Å; D405-N407 PolarHBondContact OD2-ND2 2.98Å; D405-G408 PolarHBondContact O-N 3.06Å; D405-K409 PolarHBondContact N-O 2.98Å; D405-K409 PolarHBondContact OD1-N 2.97Å; D405-R411 VanDerWaalsContact CB-NH2 3.33Å; D405-R411 IonicContact OD2-CZ 2.71Å; D405-R411 IonicContact OD2-NE 3.55Å; D405-R411 PolarHBondContact OD2-NE 2.99Å; D405-R411 IonicContact OD2-NH2 2.95Å; D405-R411 PolarHBondContact OD2-NH2 2.63Å
406P69.3Low83.1Confident106 Ų10669.5 Ų69.569%0.68835%0.348SS*.THydrogen-bonded Turntrans-61-12-178.7-26.636.8000115.4
407N71.8Confident83Confident124 Ų12467 Ų6766%0.66332%0.321SS*.THydrogen-bonded Turntrans-94.1-0.6176.4-41.4-77.5000112.4D405D405-N407 PolarHBondContact O-N 3.31Å; D405-N407 WeakPolarHBondContact OD1-CA 3.29Å; D405-N407 VanDerWaalsContact OD1-CB 3.29Å; D405-N407 WeakPolarHBondContact OD1-CB 3.49Å; D405-N407 PolarHBondContact OD1-N 3.29Å; D405-N407 PolarHBondContact OD1-ND2 3.37Å; D405-N407 PolarHBondContact OD2-ND2 2.98Å
408G70.1Confident82.6Confident18 Ų1866.9 Ų66.919%0.18633%0.327CS..SBendtrans8312.5-174.600000114.4L349 D405L349-G408 WeakPolarHBondContact CD1-O 3.37Å; D405-G408 PolarHBondContact O-N 3.06Å
409K78.3Confident82.4Confident112 Ų11263.8 Ų63.849%0.48732%0.32SS..  trans-90.6125-179.6-169163.5-175.4169.60111.2D405 V416D405-K409 PolarHBondContact N-O 2.98Å; D405-K409 PolarHBondContact OD1-N 2.97Å; K409-V416 HydrophobicContact CD-CG1 4.45Å
410V84.7Confident82.3Confident3 Ų362.5 Ų62.52%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-76.5125.8177.9-177.70000109.9L349 L403 F417 I420 L423L349-V410 HydrophobicContact CD2-CG2 4.24Å; L403-V410 WeakPolarHBondContact O-CA 3.48Å; V410-F417 HydrophobicContact CG1-CB 4.24Å; V410-F417 PolarHBondContact O-N 2.87Å; V410-F417 VanDerWaalsContact O-O 3.08Å; V410-I420 HydrophobicContact CG1-CG1 4.11Å; V410-I420 HydrophobicContact CG2-CG1 3.78Å; V410-L423 HydrophobicContact CG1-CB 4.02Å; V410-L423 HydrophobicContact CG1-CD1 3.62Å; V410-L423 HydrophobicContact CG1-CG 4.49Å
411R82.3Confident82.1Confident108 Ų10860.9 Ų60.941%0.40831%0.308SS..EExtended strand (participates in β ladder)trans-163.9149.2-178.857.6-178.6-177.576.8-0.4114.1L403 D405 R415 V416L403-R411 PolarHBondContact O-N 2.79Å; D405-R411 VanDerWaalsContact CB-NH2 3.33Å; D405-R411 IonicContact OD2-CZ 2.71Å; D405-R411 IonicContact OD2-NE 3.55Å; D405-R411 PolarHBondContact OD2-NE 2.99Å; D405-R411 IonicContact OD2-NH2 2.95Å; D405-R411 PolarHBondContact OD2-NH2 2.63Å; R411-R415 CarbonylContact C-O 3.58Å; R411-R415 VanDerWaalsContact CA-O 3.28Å; R411-R415 WeakPolarHBondContact CA-O 3.39Å; R411-R415 VanDerWaalsContact CB-O 3.31Å; R411-R415 WeakPolarHBondContact CB-O 3.5Å; R411-V416 HydrophobicContact CB-CG2 4.14Å
412T82.5Confident82.1Confident20 Ų2063.3 Ų63.312%0.12332%0.318CS..  trans-88.7-167.8162.565.70000110E414 R415 F417 L423 I434T412-E414 VanDerWaalsContact C-N 3.28Å; T412-E414 PolarHBondContact OG1-N 3.38Å; T412-R415 PolarHBondContact N-O 3.1Å; T412-R415 PolarHBondContact OG1-N 3.24Å; T412-R415 VanDerWaalsContact OG1-N 3.12Å; T412-R415 PolarHBondContact OG1-O 3.27Å; T412-F417 HydrophobicContact CG2-CE2 3.99Å; T412-L423 HydrophobicContact CG2-CD1 3.9Å; T412-L423 HydrophobicContact CG2-CG 4.24Å; T412-I434 HydrophobicContact CG2-CG1 4.33Å; T412-I434 HydrophobicContact CG2-CG2 3.76Å
413K76.5Confident82.2Confident139 Ų13959.1 Ų59.160%0.60430%0.296SS*.SBendtrans-67.7-28.6170.2-174-177.6174.9-170.40112.6R435K413-R435 WeakPolarHBondContact CB-O 3.35Å
414E78.7Confident82.4Confident117 Ų11758.9 Ų58.955%0.54730%0.295SS..SBendtrans-110.3-26.8-168.6-61.8-178.5-179.800113.4T412 R435T412-E414 VanDerWaalsContact C-N 3.28Å; T412-E414 PolarHBondContact OG1-N 3.38Å; E414-R435 WeakPolarHBondContact OE1-CB 3.38Å; E414-R435 WeakPolarHBondContact OE1-CD 3.25Å
415R84.7Confident82.6Confident126 Ų12660.3 Ų60.348%0.47530%0.302SS..  trans-139150.1-173.1-64.5-175-175-136.51112.9R411 T412 F417 Y426R411-R415 CarbonylContact C-O 3.58Å; R411-R415 VanDerWaalsContact CA-O 3.28Å; R411-R415 WeakPolarHBondContact CA-O 3.39Å; R411-R415 VanDerWaalsContact CB-O 3.31Å; R411-R415 WeakPolarHBondContact CB-O 3.5Å; T412-R415 PolarHBondContact N-O 3.1Å; T412-R415 PolarHBondContact OG1-N 3.24Å; T412-R415 VanDerWaalsContact OG1-N 3.12Å; T412-R415 PolarHBondContact OG1-O 3.27Å; R415-F417 HydrophobicContact CB-CD2 4.46Å; R415-F417 HydrophobicContact CB-CE1 4.49Å; R415-F417 HydrophobicContact CB-CE2 3.56Å; R415-F417 HydrophobicContact CB-CZ 3.59Å; R415-F417 HydrophobicContact CG-CZ 4.43Å; R415-Y426 VanDerWaalsContact NH1-CZ 3.28Å; R415-Y426 PolarHBondContact NH1-OH 2.81Å; R415-Y426 PolarHBondContact NH2-OH 3.05Å
416V86.2Confident83.2Confident76 Ų7661.9 Ų61.946%0.46131%0.307SS..EExtended strand (participates in β ladder)trans-95.7147.3167.1160.70000108.6K409 R411K409-V416 HydrophobicContact CD-CG1 4.45Å; R411-V416 HydrophobicContact CB-CG2 4.14Å
417F87.5Confident84.2Confident7 Ų757.2 Ų57.23%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-133.5152.9172.8-57.6-88.6000109.6V410 T412 R415 H422 L423 Y426 H427V410-F417 HydrophobicContact CG1-CB 4.24Å; V410-F417 PolarHBondContact O-N 2.87Å; V410-F417 VanDerWaalsContact O-O 3.08Å; T412-F417 HydrophobicContact CG2-CE2 3.99Å; R415-F417 HydrophobicContact CB-CD2 4.46Å; R415-F417 HydrophobicContact CB-CE1 4.49Å; R415-F417 HydrophobicContact CB-CE2 3.56Å; R415-F417 HydrophobicContact CB-CZ 3.59Å; R415-F417 HydrophobicContact CG-CZ 4.43Å; F417-H422 HydrophobicContact CB-CB 4.4Å; F417-H422 AromaticContact CD1-CD2 3.95Å; F417-L423 HydrophobicContact CB-CB 3.93Å; F417-L423 HydrophobicContact CD1-CB 4.25Å; F417-L423 HydrophobicContact CD2-CB 3.71Å; F417-L423 HydrophobicContact CD2-CD1 3.73Å; F417-L423 HydrophobicContact CD2-CG 3.69Å; F417-L423 HydrophobicContact CE2-CB 4.31Å; F417-L423 HydrophobicContact CE2-CD1 4.15Å; F417-L423 HydrophobicContact CE2-CG 3.91Å; F417-L423 HydrophobicContact CG-CB 3.68Å; F417-L423 HydrophobicContact CG-CD1 4.5Å; F417-L423 HydrophobicContact CG-CG 4.19Å; F417-Y426 AromaticContact CE1-CD1 3.76Å; F417-Y426 HydrophobicContact CE1-CD1 3.76Å; F417-Y426 AromaticContact CE1-CG 3.69Å; F417-Y426 HydrophobicContact CE1-CG 3.69Å; F417-Y426 AromaticContact CZ-CD1 3.79Å; F417-Y426 HydrophobicContact CZ-CD1 3.79Å; F417-Y426 HydrophobicContact CZ-CG 4.22Å; F417-H427 AromaticContact CE2-CE1 3.81Å; F417-H427 AromaticContact CZ-CE1 3.46Å; F417-H427 VanDerWaalsContact CZ-CE1 3.46Å; F417-H427 WeakPolarHBondContact CZ-CE1 3.42Å
418D84.2Confident84.9Confident133 Ų13353.6 Ų53.671%0.71126%0.258SS*.SBendtrans-78.2-29.7-176.3-44.6-81.2000111.8H422D418-H422 IonicContact OD2-CE1 3.44Å; D418-H422 PolarHBondContact OD2-CE1 2.87Å; D418-H422 IonicContact OD2-ND1 3.19Å; D418-H422 PolarHBondContact OD2-ND1 3.45Å
419S88Confident85.7Confident36 Ų3657.5 Ų57.525%0.25227%0.272SS..SBendtrans-142.2164.817869.60000111Q421 H422 L423S419-Q421 PolarHBondContact O-N 3.43Å; S419-Q421 WeakPolarHBondContact OG-CB 3.42Å; S419-Q421 PolarHBondContact OG-N 2.83Å; S419-H422 PolarHBondContact O-N 3.2Å; S419-H422 PolarHBondContact OG-N 2.7Å; S419-L423 PolarHBondContact O-N 2.92Å
420I90Very high86Confident2 Ų256.7 Ų56.71%0.0127%0.273CS..Hα-helixtrans-63.3-33.6171.1-65.6179.8000110.5P351 W356 V378 F388 L403 V410 L423 I424P351-I420 HydrophobicContact CG-CB 4.32Å; P351-I420 HydrophobicContact CG-CG2 4.08Å; W356-I420 HydrophobicContact CH2-CG2 3.84Å; W356-I420 HydrophobicContact CZ3-CG2 3.98Å; V378-I420 HydrophobicContact CG1-CG2 4.36Å; F388-I420 HydrophobicContact CB-CD1 3.42Å; F388-I420 VanDerWaalsContact CB-CD1 3.42Å; F388-I420 HydrophobicContact CD1-CD1 4.08Å; F388-I420 HydrophobicContact CD2-CD1 3.52Å; F388-I420 HydrophobicContact CE2-CD1 4.33Å; F388-I420 HydrophobicContact CG-CD1 3.38Å; L403-I420 HydrophobicContact CB-CD1 4.42Å; L403-I420 HydrophobicContact CB-CG1 4.48Å; L403-I420 HydrophobicContact CD1-CD1 4.24Å; L403-I420 HydrophobicContact CD1-CG1 4.41Å; L403-I420 HydrophobicContact CD1-CG2 3.73Å; V410-I420 HydrophobicContact CG1-CG1 4.11Å; V410-I420 HydrophobicContact CG2-CG1 3.78Å; I420-L423 WeakPolarHBondContact O-CB 3.42Å; I420-L423 PolarHBondContact O-N 1.97Å; I420-I424 HydrophobicContact CG2-CG1 4.36Å; I420-I424 WeakPolarHBondContact O-CG1 3.23Å; I420-I424 PolarHBondContact O-N 2.85Å
421Q87.5Confident86.1Confident11 Ų1158.5 Ų58.55%0.05129%0.292CS..Hα-helixtrans-57.5-54.5174.6-174.362.924.400111.8E354 S419 L423 I424 D425E354-Q421 VanDerWaalsContact CD-CD 3.47Å; E354-Q421 VanDerWaalsContact OE1-CD 3.25Å; E354-Q421 PolarHBondContact OE1-NE2 2.79Å; E354-Q421 PolarHBondContact OE1-OE1 2.86Å; E354-Q421 VanDerWaalsContact OE1-OE1 3.12Å; S419-Q421 PolarHBondContact O-N 3.43Å; S419-Q421 WeakPolarHBondContact OG-CB 3.42Å; S419-Q421 PolarHBondContact OG-N 2.83Å; Q421-L423 PolarHBondContact O-N 3.19Å; Q421-I424 PolarHBondContact O-N 2.95Å; Q421-I424 VanDerWaalsContact O-N 3.08Å; Q421-D425 WeakPolarHBondContact CG-OD2 3.34Å; Q421-D425 PolarHBondContact NE2-OD1 2.91Å; Q421-D425 PolarHBondContact NE2-OD2 2.81Å; Q421-D425 WeakPolarHBondContact O-CB 3.32Å; Q421-D425 PolarHBondContact O-N 2.94Å
422H88.6Confident86.4Confident81 Ų8154.3 Ų54.338%0.37528%0.281SS..Hα-helixtrans-59.3-36.4179-176.1-170.6000111.3F417 D418 S419 Y426F417-H422 HydrophobicContact CB-CB 4.4Å; F417-H422 AromaticContact CD1-CD2 3.95Å; D418-H422 IonicContact OD2-CE1 3.44Å; D418-H422 PolarHBondContact OD2-CE1 2.87Å; D418-H422 IonicContact OD2-ND1 3.19Å; D418-H422 PolarHBondContact OD2-ND1 3.45Å; S419-H422 PolarHBondContact O-N 3.2Å; S419-H422 PolarHBondContact OG-N 2.7Å; H422-Y426 WeakPolarHBondContact O-CB 3.49Å; H422-Y426 PolarHBondContact O-N 3.07Å
423L91.3Very high86.7Confident0 Ų054.6 Ų54.60%028%0.283CS..Hα-helixtrans-61.5-49.1173-174.9156000112.2L403 V410 T412 F417 S419 I420 Q421 H427 I434L403-L423 HydrophobicContact CD2-CD1 3.91Å; L403-L423 HydrophobicContact CD2-CD2 3.84Å; V410-L423 HydrophobicContact CG1-CB 4.02Å; V410-L423 HydrophobicContact CG1-CD1 3.62Å; V410-L423 HydrophobicContact CG1-CG 4.49Å; T412-L423 HydrophobicContact CG2-CD1 3.9Å; T412-L423 HydrophobicContact CG2-CG 4.24Å; F417-L423 HydrophobicContact CB-CB 3.93Å; F417-L423 HydrophobicContact CD1-CB 4.25Å; F417-L423 HydrophobicContact CD2-CB 3.71Å; F417-L423 HydrophobicContact CD2-CD1 3.73Å; F417-L423 HydrophobicContact CD2-CG 3.69Å; F417-L423 HydrophobicContact CE2-CB 4.31Å; F417-L423 HydrophobicContact CE2-CD1 4.15Å; F417-L423 HydrophobicContact CE2-CG 3.91Å; F417-L423 HydrophobicContact CG-CB 3.68Å; F417-L423 HydrophobicContact CG-CD1 4.5Å; F417-L423 HydrophobicContact CG-CG 4.19Å; S419-L423 PolarHBondContact O-N 2.92Å; I420-L423 WeakPolarHBondContact O-CB 3.42Å; I420-L423 PolarHBondContact O-N 1.97Å; Q421-L423 PolarHBondContact O-N 3.19Å; L423-H427 PolarHBondContact O-N 3.02Å; L423-H427 PolarHBondContact O-ND1 3.18Å; L423-I434 HydrophobicContact CD2-CD1 4.08Å
424I91Very high87.3Confident0 Ų048.3 Ų48.30%026%0.256CS..Hα-helixtrans-68.6-50.8-178.2-62.1-63.4000110.6W356 F376 V378 L390 I420 Q421 Y426 H427 V428 L443W356-I424 HydrophobicContact CD2-CG1 4.37Å; W356-I424 HydrophobicContact CD2-CG2 4.31Å; W356-I424 HydrophobicContact CE3-CG1 4.42Å; W356-I424 HydrophobicContact CH2-CB 4.28Å; W356-I424 HydrophobicContact CH2-CG1 3.76Å; W356-I424 HydrophobicContact CZ2-CB 3.66Å; W356-I424 HydrophobicContact CZ2-CG1 3.64Å; W356-I424 HydrophobicContact CZ2-CG2 3.91Å; W356-I424 HydrophobicContact CZ3-CG1 4.16Å; F376-I424 HydrophobicContact CE2-CD1 4.33Å; F376-I424 HydrophobicContact CE2-CG2 3.56Å; F376-I424 HydrophobicContact CZ-CG2 3.84Å; V378-I424 HydrophobicContact CG2-CD1 3.87Å; V378-I424 HydrophobicContact CG2-CG1 4.23Å; L390-I424 HydrophobicContact CD1-CD1 4Å; L390-I424 HydrophobicContact CD2-CD1 4.3Å; I420-I424 HydrophobicContact CG2-CG1 4.36Å; I420-I424 WeakPolarHBondContact O-CG1 3.23Å; I420-I424 PolarHBondContact O-N 2.85Å; Q421-I424 PolarHBondContact O-N 2.95Å; Q421-I424 VanDerWaalsContact O-N 3.08Å; I424-Y426 VanDerWaalsContact C-N 3.29Å; I424-Y426 PolarHBondContact O-N 2.88Å; I424-H427 PolarHBondContact O-N 3.46Å; I424-H427 VanDerWaalsContact O-N 3.09Å; I424-V428 HydrophobicContact CG2-CG2 3.97Å; I424-V428 WeakPolarHBondContact O-CG2 3.43Å; I424-V428 PolarHBondContact O-N 3.41Å; I424-L443 HydrophobicContact CD1-CD1 3.59Å; I424-L443 HydrophobicContact CG2-CD1 4.29Å
425D86.7Confident87.7Confident33 Ų3348.3 Ų48.318%0.17625%0.251CS..Hα-helixtrans-57.3-42.6-178.4-74.7-11.7000111.2K141 Q421 H427 V428 Q429K141-D425 IonicContact NZ-OD2 3.32Å; Q421-D425 WeakPolarHBondContact CG-OD2 3.34Å; Q421-D425 PolarHBondContact NE2-OD1 2.91Å; Q421-D425 PolarHBondContact NE2-OD2 2.81Å; Q421-D425 WeakPolarHBondContact O-CB 3.32Å; Q421-D425 PolarHBondContact O-N 2.94Å; D425-H427 PolarHBondContact O-N 2.87Å; D425-V428 PolarHBondContact O-N 2.83Å; D425-Q429 VanDerWaalsContact O-CB 3.22Å; D425-Q429 WeakPolarHBondContact O-CB 3.35Å; D425-Q429 WeakPolarHBondContact O-CG 3.5Å; D425-Q429 PolarHBondContact O-N 2.85Å
426Y88.6Confident87.4Confident48 Ų4844.3 Ų44.319%0.18824%0.242CC..Hα-helixtrans-57.1-45.9176.3177.2-98.8000112.8R415 F417 H422 I424 N430 A432R415-Y426 VanDerWaalsContact NH1-CZ 3.28Å; R415-Y426 PolarHBondContact NH1-OH 2.81Å; R415-Y426 PolarHBondContact NH2-OH 3.05Å; F417-Y426 AromaticContact CE1-CD1 3.76Å; F417-Y426 HydrophobicContact CE1-CD1 3.76Å; F417-Y426 AromaticContact CE1-CG 3.69Å; F417-Y426 HydrophobicContact CE1-CG 3.69Å; F417-Y426 AromaticContact CZ-CD1 3.79Å; F417-Y426 HydrophobicContact CZ-CD1 3.79Å; F417-Y426 HydrophobicContact CZ-CG 4.22Å; H422-Y426 WeakPolarHBondContact O-CB 3.49Å; H422-Y426 PolarHBondContact O-N 3.07Å; I424-Y426 VanDerWaalsContact C-N 3.29Å; I424-Y426 PolarHBondContact O-N 2.88Å; Y426-N430 WeakPolarHBondContact CD2-ND2 3.41Å; Y426-N430 VanDerWaalsContact CE2-ND2 3.35Å; Y426-N430 WeakPolarHBondContact CE2-ND2 3.49Å; Y426-N430 WeakPolarHBondContact O-CB 3.23Å; Y426-N430 PolarHBondContact O-N 3.05Å; Y426-N430 PolarHBondContact O-ND2 3.05Å; Y426-A432 HydrophobicContact CE1-CB 4.31Å
427H88.6Confident86.6Confident7 Ų747.6 Ų47.63%0.03226%0.256CS..Hα-helixtrans-77.9-33.5-176.3-65.494.2000112.6F417 L423 I424 D425 G431 A432 I434 L443F417-H427 AromaticContact CE2-CE1 3.81Å; F417-H427 AromaticContact CZ-CE1 3.46Å; F417-H427 VanDerWaalsContact CZ-CE1 3.46Å; F417-H427 WeakPolarHBondContact CZ-CE1 3.42Å; L423-H427 PolarHBondContact O-N 3.02Å; L423-H427 PolarHBondContact O-ND1 3.18Å; I424-H427 PolarHBondContact O-N 3.46Å; I424-H427 VanDerWaalsContact O-N 3.09Å; D425-H427 PolarHBondContact O-N 2.87Å; H427-G431 CarbonylContact O-C 3.54Å; H427-G431 WeakPolarHBondContact O-CA 3.48Å; H427-G431 PolarHBondContact O-N 3.44Å; H427-A432 WeakPolarHBondContact CB-O 3.17Å; H427-A432 PolarHBondContact CD2-O 3.37Å; H427-A432 PolarHBondContact O-N 3.17Å; H427-I434 HydrophobicContact CB-CD1 4.46Å; H427-I434 HydrophobicContact CB-CG1 4.25Å; H427-I434 WeakPolarHBondContact CD2-CG1 3.44Å; H427-L443 HydrophobicContact CB-CD1 4.2Å; H427-L443 HydrophobicContact CB-CG 4.46Å
428V87.8Confident86.1Confident48 Ų4855 Ų5529%0.29130%0.296SS..Hα-helixtrans-67.5-54.4174.1174.50000110.5F376 I424 D425 N430 G431 L443F376-V428 HydrophobicContact CE1-CG2 4.07Å; F376-V428 HydrophobicContact CZ-CG2 3.82Å; I424-V428 HydrophobicContact CG2-CG2 3.97Å; I424-V428 WeakPolarHBondContact O-CG2 3.43Å; I424-V428 PolarHBondContact O-N 3.41Å; D425-V428 PolarHBondContact O-N 2.83Å; V428-N430 VanDerWaalsContact C-N 3.33Å; V428-N430 PolarHBondContact O-N 3.44Å; V428-G431 PolarHBondContact O-N 3.17Å; V428-L443 HydrophobicContact CG2-CB 3.71Å
429Q85.7Confident85.9Confident100 Ų10050.2 Ų50.247%0.46727%0.273SS..Hα-helixtrans-62.5-37.1-175.6-67.5173.312.200113.2F120 D425F120-Q429 HydrophobicContact CE2-CG 3.64Å; F120-Q429 HydrophobicContact CZ-CG 3.75Å; D425-Q429 VanDerWaalsContact O-CB 3.22Å; D425-Q429 WeakPolarHBondContact O-CB 3.35Å; D425-Q429 WeakPolarHBondContact O-CG 3.5Å; D425-Q429 PolarHBondContact O-N 2.85Å
430N86.2Confident85.9Confident96 Ų9651.4 Ų51.451%0.51328%0.275SS..THydrogen-bonded Turntrans-92.30.7-179.1-65.4-96.5000113.2Y426 V428 A432Y426-N430 WeakPolarHBondContact CD2-ND2 3.41Å; Y426-N430 VanDerWaalsContact CE2-ND2 3.35Å; Y426-N430 WeakPolarHBondContact CE2-ND2 3.49Å; Y426-N430 WeakPolarHBondContact O-CB 3.23Å; Y426-N430 PolarHBondContact O-N 3.05Å; Y426-N430 PolarHBondContact O-ND2 3.05Å; V428-N430 VanDerWaalsContact C-N 3.33Å; V428-N430 PolarHBondContact O-N 3.44Å; N430-A432 HydrophobicContact CB-CB 4.09Å; N430-A432 PolarHBondContact O-N 3.2Å; N430-A432 VanDerWaalsContact O-N 3.07Å
431G84.9Confident85.9Confident41 Ų4151.4 Ų51.442%0.42327%0.274SS..THydrogen-bonded Turntrans56.920.3-171.300000114.1H427 V428 R442H427-G431 CarbonylContact O-C 3.54Å; H427-G431 WeakPolarHBondContact O-CA 3.48Å; H427-G431 PolarHBondContact O-N 3.44Å; V428-G431 PolarHBondContact O-N 3.17Å; G431-R442 PolarHBondContact O-NH1 2.8Å
432A88.6Confident86.1Confident20 Ų2054.6 Ų54.617%0.16529%0.286CS..PPolyproline II helixtrans-82.7129.1-166.100000111Y426 H427 N430Y426-A432 HydrophobicContact CE1-CB 4.31Å; H427-A432 WeakPolarHBondContact CB-O 3.17Å; H427-A432 PolarHBondContact CD2-O 3.37Å; H427-A432 PolarHBondContact O-N 3.17Å; N430-A432 HydrophobicContact CB-CB 4.09Å; N430-A432 PolarHBondContact O-N 3.2Å; N430-A432 VanDerWaalsContact O-N 3.07Å
433P89.6Confident86.2Confident25 Ų2551 Ų5116%0.16227%0.27CS..PPolyproline II helixtrans-73.4136.217829-33000111.5R435 E440 I441 R442P433-R435 PolarHBondContact O-N 3Å; P433-E440 HydrophobicContact CB-CB 3.98Å; P433-E440 HydrophobicContact CB-CG 4.32Å; P433-E440 WeakPolarHBondContact CB-OE2 3.42Å; P433-E440 WeakPolarHBondContact CG-OE2 3.33Å; P433-I441 CarbonylContact C-O 3.59Å; P433-I441 VanDerWaalsContact CA-O 3.32Å; P433-I441 WeakPolarHBondContact CA-O 3.38Å; P433-R442 HydrophobicContact CB-CG 4.05Å
434I89.9Confident86Confident7 Ų752.9 Ų52.94%0.03628%0.279CS..EExtended strand (participates in β ladder)trans-77.5118.7167.5-61.2165.1000108.3L390 L401 T412 L423 H427 E440 I441 L443L390-I434 HydrophobicContact CD2-CD1 3.43Å; L390-I434 VanDerWaalsContact CD2-CD1 3.43Å; L401-I434 HydrophobicContact CD1-CB 4.26Å; L401-I434 HydrophobicContact CD1-CG2 3.58Å; T412-I434 HydrophobicContact CG2-CG1 4.33Å; T412-I434 HydrophobicContact CG2-CG2 3.76Å; L423-I434 HydrophobicContact CD2-CD1 4.08Å; H427-I434 HydrophobicContact CB-CD1 4.46Å; H427-I434 HydrophobicContact CB-CG1 4.25Å; H427-I434 WeakPolarHBondContact CD2-CG1 3.44Å; I434-E440 CarbonylContact O-C 3.6Å; I434-I441 HydrophobicContact CB-CG2 3.8Å; I434-I441 HydrophobicContact CG2-CG2 4.49Å; I434-I441 PolarHBondContact N-O 2.9Å; I434-I441 PolarHBondContact O-N 2.98Å; I434-L443 HydrophobicContact CD1-CD1 3.82Å; I434-L443 HydrophobicContact CD1-CD2 4.47Å; I434-L443 HydrophobicContact CD1-CG 4.19Å
435R86.2Confident85.7Confident118 Ų11854.3 Ų54.345%0.44529%0.286SS..EExtended strand (participates in β ladder)trans-95.4119.7-173.8-70.6-179.3155.8165.5-2.4113.2K413 E414 P433 E440K413-R435 WeakPolarHBondContact CB-O 3.35Å; E414-R435 WeakPolarHBondContact OE1-CB 3.38Å; E414-R435 WeakPolarHBondContact OE1-CD 3.25Å; P433-R435 PolarHBondContact O-N 3Å; R435-E440 HydrophobicContact CG-CG 4.24Å; R435-E440 IonicContact CZ-OE1 3Å; R435-E440 IonicContact NE-OE1 3.29Å; R435-E440 PolarHBondContact NE-OE1 2.91Å; R435-E440 IonicContact NH2-OE1 3.37Å; R435-E440 PolarHBondContact NH2-OE1 2.79Å
436S77.5Confident85.8Confident41 Ų4154.1 Ų54.129%0.28729%0.286SS..EExtended strand (participates in β ladder)trans-107.3170.4164.4-65.20000110.3L401 D438 S439L401-S436 VanDerWaalsContact CD2-OG 3.27Å; L401-S436 WeakPolarHBondContact CD2-OG 3.04Å; S436-D438 PolarHBondContact O-N 2.92Å; S436-S439 WeakPolarHBondContact CA-O 3.34Å; S436-S439 WeakPolarHBondContact CB-O 3.39Å; S436-S439 PolarHBondContact N-O 2.81Å; S436-S439 PolarHBondContact O-N 2.92Å
437L71.2Confident85.7Confident145 Ų14553 Ų5376%0.75928%0.284SS*.THydrogen-bonded Turntrans-48-52.2-170.2-80.3161.5000114.2
438D76.2Confident85.3Confident163 Ų16353.3 Ų53.387%0.87229%0.287SS*.THydrogen-bonded Turntrans-117.920.8-175.3-41.7-75.4000111.9S436S436-D438 PolarHBondContact O-N 2.92Å
439S80Confident84.4Confident32 Ų3254.1 Ų54.122%0.22429%0.292CS..EExtended strand (participates in β ladder)trans-161.6118.1-158.4155.70000113.8R399 S436R399-S439 WeakPolarHBondContact CD-OG 3.26Å; R399-S439 PolarHBondContact NH1-OG 3.43Å; S436-S439 WeakPolarHBondContact CA-O 3.34Å; S436-S439 WeakPolarHBondContact CB-O 3.39Å; S436-S439 PolarHBondContact N-O 2.81Å; S436-S439 PolarHBondContact O-N 2.92Å
440E87.9Confident83Confident62 Ų6255.1 Ų55.129%0.2930%0.297SS..EExtended strand (participates in β ladder)trans-87.4158.2161.3-58.9-156.7158.700111.7R399 P433 I434 R435 R442R399-E440 WeakPolarHBondContact CD-O 3.43Å; R399-E440 PolarHBondContact NH1-O 3.08Å; P433-E440 HydrophobicContact CB-CB 3.98Å; P433-E440 HydrophobicContact CB-CG 4.32Å; P433-E440 WeakPolarHBondContact CB-OE2 3.42Å; P433-E440 WeakPolarHBondContact CG-OE2 3.33Å; I434-E440 CarbonylContact O-C 3.6Å; R435-E440 HydrophobicContact CG-CG 4.24Å; R435-E440 IonicContact CZ-OE1 3Å; R435-E440 IonicContact NE-OE1 3.29Å; R435-E440 PolarHBondContact NE-OE1 2.91Å; R435-E440 IonicContact NH2-OE1 3.37Å; R435-E440 PolarHBondContact NH2-OE1 2.79Å; E440-R442 IonicContact OE2-NH2 3.98Å
441I89.7Confident80.5Confident1 Ų154.4 Ų54.41%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-141.6132162.2-179.7173.9000109.3Q394 R399 L401 P433 I434 L443Q394-I441 HydrophobicContact CB-CG1 4.25Å; R399-I441 HydrophobicContact CB-CD1 4.26Å; L401-I441 HydrophobicContact CD1-CG2 3.7Å; P433-I441 CarbonylContact C-O 3.59Å; P433-I441 VanDerWaalsContact CA-O 3.32Å; P433-I441 WeakPolarHBondContact CA-O 3.38Å; I434-I441 HydrophobicContact CB-CG2 3.8Å; I434-I441 HydrophobicContact CG2-CG2 4.49Å; I434-I441 PolarHBondContact N-O 2.9Å; I434-I441 PolarHBondContact O-N 2.98Å; I441-L443 HydrophobicContact CD1-CD2 4.28Å; I441-L443 HydrophobicContact CG1-CD2 4.25Å
442R91.1Very high77.9Confident78 Ų7861.1 Ų61.129%0.29431%0.314SS..  trans-100.2141.5173.2-64.6176.3-175.6-87.9-8.2109.8Q394 G431 P433 E440 I444Q394-R442 VanDerWaalsContact OE1-N 3.13Å; G431-R442 PolarHBondContact O-NH1 2.8Å; P433-R442 HydrophobicContact CB-CG 4.05Å; E440-R442 IonicContact OE2-NH2 3.98Å; R442-I444 HydrophobicContact CB-CD1 4.41Å; R442-I444 HydrophobicContact CB-CG1 4.25Å
443L91.8Very high74.8Confident6 Ų666.3 Ų66.33%0.03135%0.347CS..  trans-104.9111.2178.4-53.6-169.4000107.6F376 L390 I424 H427 V428 I434 I441F376-L443 HydrophobicContact CB-CD2 3.7Å; F376-L443 HydrophobicContact CD1-CB 3.72Å; F376-L443 HydrophobicContact CD1-CD2 4.18Å; F376-L443 HydrophobicContact CD1-CG 4.45Å; F376-L443 HydrophobicContact CD2-CB 4.49Å; F376-L443 HydrophobicContact CD2-CD1 4.3Å; F376-L443 HydrophobicContact CD2-CD2 4.18Å; F376-L443 HydrophobicContact CE1-CB 3.77Å; F376-L443 HydrophobicContact CE2-CD1 4.4Å; F376-L443 HydrophobicContact CG-CB 4.1Å; F376-L443 HydrophobicContact CG-CD2 3.75Å; F376-L443 HydrophobicContact CG-CG 4.35Å; F376-L443 HydrophobicContact CZ-CB 4.19Å; L390-L443 HydrophobicContact CD1-CD1 4.41Å; L390-L443 HydrophobicContact CD1-CD2 3.98Å; L390-L443 HydrophobicContact CD2-CD1 4.15Å; L390-L443 HydrophobicContact CD2-CD2 4.07Å; L390-L443 HydrophobicContact CG-CD2 4.5Å; I424-L443 HydrophobicContact CD1-CD1 3.59Å; I424-L443 HydrophobicContact CG2-CD1 4.29Å; H427-L443 HydrophobicContact CB-CD1 4.2Å; H427-L443 HydrophobicContact CB-CG 4.46Å; V428-L443 HydrophobicContact CG2-CB 3.71Å; I434-L443 HydrophobicContact CD1-CD1 3.82Å; I434-L443 HydrophobicContact CD1-CD2 4.47Å; I434-L443 HydrophobicContact CD1-CG 4.19Å; I441-L443 HydrophobicContact CD1-CD2 4.28Å; I441-L443 HydrophobicContact CG1-CD2 4.25Å
444I87.1Confident71.9Confident39 Ų3972 Ų7220%0.238%0.375CS..  trans-124.1-53.7-174.5-43.9-177.1000110.3L177 G374 R442L177-I444 HydrophobicContact CD1-CG2 4.47Å; G374-I444 PolarHBondContact O-N 3.43Å; R442-I444 HydrophobicContact CB-CD1 4.41Å; R442-I444 HydrophobicContact CB-CG1 4.25Å
445F84.7Confident68.9Low31 Ų3180.5 Ų80.514%0.13644%0.435CS..EExtended strand (participates in β ladder)trans-114.6113-176.1-52.9-60.4000111.9L177 K178 M270 G374 D375 F376 V447L177-F445 HydrophobicContact CG-CE1 4.49Å; K178-F445 HydrophobicContact CB-CE1 4.11Å; K178-F445 HydrophobicContact CB-CZ 4.38Å; K178-F445 HydrophobicContact CG-CE1 4.21Å; K178-F445 HydrophobicContact CG-CZ 4.2Å; M270-F445 HydrophobicContact CE-CB 4.22Å; G374-F445 PolarHBondContact O-N 3.36Å; D375-F445 WeakPolarHBondContact CA-O 3.49Å; F376-F445 VanDerWaalsContact CD1-O 3.27Å; F376-F445 WeakPolarHBondContact CD1-O 3.41Å; F376-F445 PolarHBondContact N-O 3.12Å; F445-V447 PolarHBondContact O-N 2.94Å
446P88.4Confident68Low29 Ų2978.7 Ų78.719%0.18844%0.435CS..EExtended strand (participates in β ladder)trans-74.5117.4176.229.2-34.6000111.1M270 P355 W356 F376M270-P446 HydrophobicContact CE-CG 4.08Å; P355-P446 HydrophobicContact CG-CB 4.34Å; P355-P446 HydrophobicContact CG-CG 4.49Å; W356-P446 HydrophobicContact CB-CB 3.72Å; W356-P446 HydrophobicContact CG-CB 4.16Å; F376-P446 HydrophobicContact CE1-CB 4.13Å; F376-P446 HydrophobicContact CE2-CB 4.39Å; F376-P446 HydrophobicContact CZ-CB 3.84Å
447V86.4Confident67.5Low23 Ų2380.6 Ų80.614%0.13944%0.442CS..  trans-95.9129.8180-1790000110.4L369 L370 D375 F376 L377 F445L369-V447 HydrophobicContact CB-CG1 3.91Å; L370-V447 HydrophobicContact CD2-CB 4.46Å; L370-V447 HydrophobicContact CD2-CG2 4.19Å; D375-V447 HydrophobicContact CB-CG2 3.81Å; F376-V447 PolarHBondContact O-N 2.93Å; L377-V447 HydrophobicContact CB-CB 4.49Å; L377-V447 WeakPolarHBondContact CB-O 3.3Å; L377-V447 HydrophobicContact CD2-CG1 4.5Å; F445-V447 PolarHBondContact O-N 2.94Å
448S80.6Confident67.3Low15 Ų1577.1 Ų77.111%0.10543%0.425CS..  trans-110.1176.5-177.394.90000112.9F269 P355 H450F269-S448 WeakPolarHBondContact CE1-OG 3.14Å; P355-S448 WeakPolarHBondContact O-CA 3.4Å; P355-S448 WeakPolarHBondContact O-CB 3.31Å; S448-H450 PolarHBondContact OG-N 2.61Å; S448-H450 VanDerWaalsContact OG-N 3.14Å
449T69.7Low66.8Low64 Ų6472 Ų7239%0.39340%0.398SS..SBendtrans-118.713.7165.349.20000113.5V358 M361 L369V358-T449 HydrophobicContact CB-CG2 3.97Å; V358-T449 HydrophobicContact CG1-CG2 3.89Å; M361-T449 HydrophobicContact CE-CG2 3.35Å; L369-T449 HydrophobicContact CD1-CG2 3.62Å
450H54.5Low66Low122 Ų12274.5 Ų74.557%0.56541%0.409SS*.  trans-89.5-2.4-171.3-88.5-68.9000115.1F269 S448 F452F269-H450 HydrophobicContact CE1-CB 3.82Å; F269-H450 HydrophobicContact CZ-CB 4.21Å; S448-H450 PolarHBondContact OG-N 2.61Å; S448-H450 VanDerWaalsContact OG-N 3.14Å; H450-F452 PolarHBondContact O-N 2.91Å
451T35.5Very low64.5Low80 Ų8075.3 Ų75.349%0.49142%0.417SS..  trans-61.3112.4165-43.90000110.2D271 C453D271-T451 WeakPolarHBondContact OD1-CA 3.3Å; D271-T451 VanDerWaalsContact OD1-CB 3.23Å; D271-T451 WeakPolarHBondContact OD1-CB 3.47Å; D271-T451 WeakPolarHBondContact OD1-CG2 3.42Å; D271-T451 PolarHBondContact OD1-OG1 3.47Å; T451-C453 PolarHBondContact O-N 3.34Å
452F28.7Very low62.7Low182 Ų18280.6 Ų80.680%0.79845%0.447SS*.  trans-76105.9177.9-128.5-87.5000109.6H450 I454H450-F452 PolarHBondContact O-N 2.91Å; F452-I454 HydrophobicContact CB-CG1 4.48Å; F452-I454 HydrophobicContact CD1-CD1 4.3Å; F452-I454 HydrophobicContact CD1-CG1 3.93Å; F452-I454 PolarHBondContact O-N 3.26Å
453C24.8Very low60.5Low129 Ų12980.8 Ų80.887%0.87246%0.459SS*.  trans-67.1102.2168.2-630000109.7T451T451-C453 PolarHBondContact O-N 3.34Å
454I29.1Very low57.9Low146 Ų14687.1 Ų87.175%0.74949%0.494SS*.  trans-110.7126.5164.6-47.5180000107.2F452F452-I454 HydrophobicContact CB-CG1 4.48Å; F452-I454 HydrophobicContact CD1-CD1 4.3Å; F452-I454 HydrophobicContact CD1-CG1 3.93Å; F452-I454 PolarHBondContact O-N 3.26Å
455S25.6Very low55.3Low185 Ų18591.5 Ų91.5100%1.29452%0.521SS*.  trans-92.40178.360.30000112.3

Retrieved 455 of 455 residues in 72.2 ms (Link to these results)

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