A0A093HE50_STRCA Loading...

Ras-related protein M-Ras

AlphaFold DB (A0A6I9HBK1), UniProt , Accession A0A093HE50, Species STRCA (Struthio camelus australis), Gene n/a, Length 208 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
1M37.9Very low57.2Low241 Ų241114.9 Ų114.9100%1.18770%0.696SS**  0123.90-69.1-173.3179.400107T3M1-T3 PolarHBondContact O-N 3.21Å
2A37.4Very low60.2Low106 Ų106110.3 Ų110.388%0.87667%0.67SS**  trans-68.3113.9-171.100000110.5S4A2-S4 PolarHBondContact O-N 3.45Å; A2-S4 VanDerWaalsContact O-N 3.07Å
3T46.2Very low63Low137 Ų137106.8 Ų106.884%0.8465%0.649SS**  trans-66.7101.9164.245.50000107.1M1 A5M1-T3 PolarHBondContact O-N 3.21Å; T3-A5 PolarHBondContact O-N 2.99Å
4S50.3Low65.4Low67 Ų67100.4 Ų100.447%0.46961%0.608SS.*  trans-53.3108.61701750000107.9A2 V6A2-S4 PolarHBondContact O-N 3.45Å; A2-S4 VanDerWaalsContact O-N 3.07Å; S4-V6 PolarHBondContact O-N 3.07Å
5A55.9Low67.5Low84 Ų8499.3 Ų99.369%0.69459%0.591SS**PPolyproline II helixtrans-62.9127.1177.600000108.2T3 P7T3-A5 PolarHBondContact O-N 2.99Å; A5-P7 VanDerWaalsContact O-CD 3.3Å; A5-P7 WeakPolarHBondContact O-CD 3.3Å; A5-P7 VanDerWaalsContact O-N 3.13Å
6V58.1Low69.4Low75 Ų7593.1 Ų93.146%0.45555%0.554SS.*PPolyproline II helixtrans-56.7118.7174.6-177.40000107.5S4 S8 L11 W60S4-V6 PolarHBondContact O-N 3.07Å; V6-S8 PolarHBondContact O-N 3.36Å; V6-L11 HydrophobicContact CG1-CD1 3.89Å; V6-W60 HydrophobicContact CG2-CH2 4.03Å; V6-W60 HydrophobicContact CG2-CZ3 4.02Å
7P57.5Low70.9Confident56 Ų5687.8 Ų87.836%0.36452%0.523SS..PPolyproline II helixtrans-62.7138.4-176.3-19.930.5000110.8A5 E9 W60A5-P7 VanDerWaalsContact O-CD 3.3Å; A5-P7 WeakPolarHBondContact O-CD 3.3Å; A5-P7 VanDerWaalsContact O-N 3.13Å; P7-E9 PolarHBondContact O-N 3.38Å; P7-W60 HydrophobicContact CG-CG 4.44Å
8S56.3Low72.3Confident131 Ų13182.9 Ų82.992%0.91649%0.494SS*.SBendtrans-72.223.5175.464.20000113.9V6V6-S8 PolarHBondContact O-N 3.36Å
9E60.3Low73.5Confident159 Ų15978.6 Ų78.674%0.74347%0.468SS*.SBendtrans-94.4160.2179.2-68.5-136155.800111.5P7 L11P7-E9 PolarHBondContact O-N 3.38Å; E9-L11 VanDerWaalsContact C-N 3.25Å; E9-L11 PolarHBondContact O-N 3.32Å
10N80.6Confident74.5Confident175 Ų17574.8 Ų74.894%0.93645%0.446SS*.  trans-62.685.2172.7-78-23.9000110.4
11L88.3Confident75.3Confident33 Ų3372.7 Ų72.717%0.17343%0.432CS..PPolyproline II helixtrans-61.9139176.5-67.2177000110.2V6 E9 T13 W60 I62V6-L11 HydrophobicContact CG1-CD1 3.89Å; E9-L11 VanDerWaalsContact C-N 3.25Å; E9-L11 PolarHBondContact O-N 3.32Å; L11-T13 PolarHBondContact O-N 3.48Å; L11-W60 HydrophobicContact CD1-CB 4.42Å; L11-W60 HydrophobicContact CD2-CB 3.48Å; L11-W60 VanDerWaalsContact CD2-CB 3.48Å; L11-I62 HydrophobicContact CB-CD1 4.3Å; L11-I62 HydrophobicContact CB-CG1 4.07Å; L11-I62 HydrophobicContact CD1-CG1 4.33Å
12P94Very high77.8Confident59 Ų5963.1 Ų63.138%0.38340%0.396SS..PPolyproline II helixtrans-64.3132.4171.927.6-32.7000109.7Y14 A61 I62P12-Y14 HydrophobicContact CB-CE2 4.39Å; P12-Y14 HydrophobicContact CG-CE2 4.31Å; P12-A61 HydrophobicContact CG-CB 4.18Å; P12-A61 WeakPolarHBondContact O-CA 3.39Å; P12-I62 PolarHBondContact O-N 3.38Å
13T95.6Very high80.3Confident66 Ų6661 Ų6141%0.40538%0.384SS..EExtended strand (participates in β ladder)trans-95.9131.1168.7-53.80000109L11 I62 D64L11-T13 PolarHBondContact O-N 3.48Å; T13-I62 CarbonylContact C-O 3.52Å; T13-I62 VanDerWaalsContact CA-O 3.27Å; T13-I62 WeakPolarHBondContact CA-O 3.42Å; T13-I62 HydrophobicContact CG2-CB 4.24Å; T13-I62 HydrophobicContact CG2-CG2 4.25Å; T13-D64 HydrophobicContact CG2-CB 4.03Å
14Y97.2Very high82.6Confident17 Ų1754.4 Ų54.47%0.06734%0.344CS..EExtended strand (participates in β ladder)trans-113.3116.2172.1-58.2-64.7000109.3P12 L16 A61 I62 L63 D64 V172 I175 R176P12-Y14 HydrophobicContact CB-CE2 4.39Å; P12-Y14 HydrophobicContact CG-CE2 4.31Å; Y14-L16 PolarHBondContact O-N 2.93Å; Y14-A61 HydrophobicContact CD2-CB 3.7Å; Y14-A61 HydrophobicContact CE2-CB 3.49Å; Y14-A61 VanDerWaalsContact CE2-CB 3.49Å; Y14-I62 PolarHBondContact N-O 2.8Å; Y14-L63 HydrophobicContact CD2-CD2 3.92Å; Y14-D64 PolarHBondContact O-N 3.23Å; Y14-V172 HydrophobicContact CD2-CG1 3.76Å; Y14-V172 HydrophobicContact CD2-CG2 4.13Å; Y14-V172 HydrophobicContact CE2-CG1 3.55Å; Y14-V172 HydrophobicContact CG-CG1 4.49Å; Y14-I175 HydrophobicContact CD1-CD1 4.46Å; Y14-I175 HydrophobicContact CD1-CG2 3.8Å; Y14-I175 HydrophobicContact CE1-CG2 3.85Å; Y14-R176 WeakPolarHBondContact OH-CG 3.26Å; Y14-R176 PolarHBondContact OH-NE 3.42Å; Y14-R176 VanDerWaalsContact OH-NE 3.15Å
15K96.8Very high84.7Confident83 Ų8352 Ų5236%0.36133%0.329SS..EExtended strand (participates in β ladder)trans-84104.4175.3-66.2-175.7175.1-170.60110D64 G85 D86 G87K15-D64 CarbonylContact C-O 3.56Å; K15-D64 VanDerWaalsContact CA-O 3.28Å; K15-D64 WeakPolarHBondContact CA-O 3.26Å; K15-D64 HydrophobicContact CG-CB 4.15Å; K15-G85 CarbonylContact O-C 3.54Å; K15-D86 PolarHBondContact N-OD2 3.48Å; K15-D86 PolarHBondContact O-N 3.45Å; K15-G87 PolarHBondContact O-N 3.46Å
16L97.6Very high86.6Confident0 Ų048.3 Ų48.30%030%0.297CS..EExtended strand (participates in β ladder)trans-102.4133.6-179-46.3-176.2000109Y14 L63 D64 V65 L66 G87 F168 L171 V172 I175Y14-L16 PolarHBondContact O-N 2.93Å; L16-L63 HydrophobicContact CD1-CD1 4.33Å; L16-L63 HydrophobicContact CD1-CD2 4.33Å; L16-D64 PolarHBondContact N-O 3.49Å; L16-V65 HydrophobicContact CB-CG2 4.2Å; L16-V65 HydrophobicContact CD1-CG2 4.23Å; L16-V65 HydrophobicContact CG-CG2 4.47Å; L16-V65 CarbonylContact O-C 3.57Å; L16-V65 VanDerWaalsContact O-CA 3.32Å; L16-V65 WeakPolarHBondContact O-CA 3.49Å; L16-L66 PolarHBondContact O-N 2.74Å; L16-G87 WeakPolarHBondContact CA-O 3.41Å; L16-F168 HydrophobicContact CD1-CD1 4.1Å; L16-L171 HydrophobicContact CB-CD2 4.21Å; L16-L171 HydrophobicContact CD1-CD2 4.4Å; L16-L171 HydrophobicContact CD2-CD2 3.87Å; L16-L171 HydrophobicContact CD2-CG 4.13Å; L16-L171 HydrophobicContact CG-CD2 4.38Å; L16-V172 HydrophobicContact CD1-CG2 4.18Å; L16-V172 HydrophobicContact CD2-CG2 4.46Å; L16-I175 HydrophobicContact CD2-CD1 3.5Å; L16-I175 VanDerWaalsContact CD2-CD1 3.5Å
17V96.2Very high88.2Confident4 Ų445.7 Ų45.72%0.02428%0.282CS..EExtended strand (participates in β ladder)trans-116.8128.6178.5-173.60000109.3V19 L66 T68 Y81 G87 F88 L89V17-V19 HydrophobicContact CG1-CG1 3.72Å; V17-L66 HydrophobicContact CG1-CD2 4.42Å; V17-T68 HydrophobicContact CG1-CG2 3.76Å; V17-Y81 HydrophobicContact CG1-CD2 3.64Å; V17-Y81 HydrophobicContact CG1-CE2 4.04Å; V17-Y81 HydrophobicContact CG1-CG 4.43Å; V17-Y81 HydrophobicContact CG2-CD2 4.42Å; V17-G87 PolarHBondContact N-O 3.07Å; V17-F88 HydrophobicContact CB-CD1 3.62Å; V17-F88 HydrophobicContact CB-CE1 3.68Å; V17-F88 HydrophobicContact CG1-CD1 4.11Å; V17-F88 HydrophobicContact CG1-CE1 4.08Å; V17-F88 HydrophobicContact CG2-CD1 4.29Å; V17-F88 HydrophobicContact CG2-CE1 3.89Å; V17-F88 HydrophobicContact CG2-CZ 4.46Å; V17-F88 VanDerWaalsContact O-CA 3.31Å; V17-F88 WeakPolarHBondContact O-CA 3.4Å; V17-L89 PolarHBondContact O-N 2.83Å
18V95.8Very high89.9Confident0 Ų043.8 Ų43.80%027%0.271CS..EExtended strand (participates in β ladder)trans-97.4114.2176.3-166.60000108.6K26 V65 L66 T68 L89 V91 F168V18-K26 HydrophobicContact CB-CB 4.47Å; V18-K26 HydrophobicContact CG1-CB 3.71Å; V18-K26 HydrophobicContact CG1-CD 4.18Å; V18-K26 HydrophobicContact CG1-CG 3.91Å; V18-V65 HydrophobicContact CG2-CG1 3.96Å; V18-L66 PolarHBondContact N-O 3.34Å; V18-T68 WeakPolarHBondContact O-CG2 3.36Å; V18-T68 PolarHBondContact O-OG1 3.37Å; V18-L89 HydrophobicContact CG1-CB 4.34Å; V18-L89 HydrophobicContact CG2-CD1 4.2Å; V18-V91 HydrophobicContact CG1-CG2 3.57Å; V18-F168 HydrophobicContact CG2-CE1 4.08Å; V18-F168 HydrophobicContact CG2-CZ 4.26Å
19V94.4Very high91.9Very high0 Ų037.9 Ų37.90%023%0.229CC..EExtended strand (participates in β ladder)trans-121.9159.5-177.5-57.10000111.3V17 T68 M82 F88 L89 I90 V91 F106 I110V17-V19 HydrophobicContact CG1-CG1 3.72Å; V19-T68 HydrophobicContact CG1-CG2 4.43Å; V19-M82 HydrophobicContact CG1-CE 3.8Å; V19-F88 HydrophobicContact CG1-CD1 4.21Å; V19-L89 PolarHBondContact N-O 3.04Å; V19-I90 HydrophobicContact CG2-CB 4.38Å; V19-I90 HydrophobicContact CG2-CG1 3.99Å; V19-I90 HydrophobicContact CG2-CG2 4.48Å; V19-V91 PolarHBondContact O-N 2.85Å; V19-F106 HydrophobicContact CB-CD1 3.88Å; V19-F106 HydrophobicContact CB-CE1 4.2Å; V19-F106 HydrophobicContact CG2-CB 4.27Å; V19-F106 HydrophobicContact CG2-CD1 3.95Å; V19-F106 HydrophobicContact CG2-CG 4.28Å; V19-I110 HydrophobicContact CG2-CD1 4.26Å
20G93.7Very high93.5Very high2 Ų230.3 Ų30.32%0.02119%0.194CC..  trans144.2167.5-175.700000111.3K26 V91 F106G20-K26 PolarHBondContact O-NZ 3.02Å; G20-V91 WeakPolarHBondContact CA-O 3.23Å; G20-F106 VanDerWaalsContact C-CZ 3.41Å; G20-F106 VanDerWaalsContact CA-CZ 3.47Å
21D91.7Very high94.2Very high31 Ų3122.1 Ų22.117%0.16615%0.15CC..  trans-59.3166.4-177.8-78.511.1000113.7V24 K26 S99 H102 F106D21-V24 HydrophobicContact CB-CG1 3.84Å; D21-V24 VanDerWaalsContact O-CG2 3.27Å; D21-V24 WeakPolarHBondContact O-CG2 3.4Å; D21-K26 PolarHBondContact O-NZ 2.8Å; D21-S99 WeakPolarHBondContact OD2-CA 3.47Å; D21-H102 IonicContact OD1-CG 3.93Å; D21-H102 IonicContact OD1-ND1 3.46Å; D21-H102 PolarHBondContact OD1-ND1 3.1Å; D21-H102 IonicContact OD2-CE1 3.66Å; D21-H102 IonicContact OD2-CG 3.65Å; D21-H102 IonicContact OD2-ND1 2.71Å; D21-H102 PolarHBondContact OD2-ND1 2.77Å; D21-F106 WeakPolarHBondContact OD1-CE2 3.11Å
22G89.6Confident94.5Very high41 Ų4120.8 Ų20.842%0.42314%0.143SC..THydrogen-bonded Turntrans-55.2138.3168.100000111.8V24 G70G22-V24 PolarHBondContact O-N 3.19Å; G22-V24 VanDerWaalsContact O-N 3.17Å; G22-G70 PolarHBondContact N-O 3.31Å
23G90.6Very high94.7Very high60 Ų6018 Ų1862%0.61913%0.125SC*.THydrogen-bonded Turntrans74.7-0.3172.900000116.3G25 K127G23-G25 PolarHBondContact O-N 2.93Å; G23-K127 VanDerWaalsContact O-CE 3.27Å; G23-K127 WeakPolarHBondContact O-CE 3.43Å; G23-K127 PolarHBondContact O-NZ 3.31Å
24V94.6Very high94.6Very high0 Ų016.7 Ų16.70%011%0.114CC..SBendtrans-68.9-16.5177.3-56.70000113.5D21 G22 K26 V91 N126 K127D21-V24 HydrophobicContact CB-CG1 3.84Å; D21-V24 VanDerWaalsContact O-CG2 3.27Å; D21-V24 WeakPolarHBondContact O-CG2 3.4Å; G22-V24 PolarHBondContact O-N 3.19Å; G22-V24 VanDerWaalsContact O-N 3.17Å; V24-K26 HydrophobicContact CG2-CD 4.31Å; V24-K26 HydrophobicContact CG2-CG 3.59Å; V24-V91 HydrophobicContact CB-CG1 4.3Å; V24-V91 HydrophobicContact CG2-CB 3.98Å; V24-V91 HydrophobicContact CG2-CG1 3.82Å; V24-N126 PolarHBondContact O-ND2 2.89Å; V24-K127 WeakPolarHBondContact O-CE 3.46Å
25G94.4Very high94.4Very high15 Ų1520.9 Ų20.916%0.15513%0.134CC..SBendtrans98.930.6176.800000115.1G23 A28 L29G23-G25 PolarHBondContact O-N 2.93Å; G25-A28 PolarHBondContact O-N 3.28Å; G25-L29 WeakPolarHBondContact O-CG 3.03Å; G25-L29 PolarHBondContact O-N 2.86Å
26K94.5Very high94.4Very high8 Ų822 Ų224%0.03514%0.138CC..Hα-helixtrans-56.2-54.9174.6-56.3-170.2-60.9-76.30111.5V18 G20 D21 V24 A28 L29 T30 D67 T68 V91V18-K26 HydrophobicContact CB-CB 4.47Å; V18-K26 HydrophobicContact CG1-CB 3.71Å; V18-K26 HydrophobicContact CG1-CD 4.18Å; V18-K26 HydrophobicContact CG1-CG 3.91Å; G20-K26 PolarHBondContact O-NZ 3.02Å; D21-K26 PolarHBondContact O-NZ 2.8Å; V24-K26 HydrophobicContact CG2-CD 4.31Å; V24-K26 HydrophobicContact CG2-CG 3.59Å; K26-A28 VanDerWaalsContact C-N 3.34Å; K26-A28 PolarHBondContact O-N 2.9Å; K26-L29 PolarHBondContact O-N 3.41Å; K26-L29 VanDerWaalsContact O-N 3.14Å; K26-T30 PolarHBondContact O-N 2.78Å; K26-T30 PolarHBondContact O-OG1 3.02Å; K26-T30 VanDerWaalsContact O-OG1 3.09Å; K26-D67 VanDerWaalsContact C-OD1 3.28Å; K26-D67 VanDerWaalsContact CB-OD1 3.25Å; K26-D67 WeakPolarHBondContact CB-OD1 3.3Å; K26-T68 WeakPolarHBondContact CE-O 3.48Å; K26-V91 HydrophobicContact CG-CB 4.27Å; K26-V91 HydrophobicContact CG-CG2 4.42Å
27S92.4Very high94.1Very high19 Ų1925.6 Ų25.613%0.13316%0.157CC..Hα-helixtrans-60-43.1177.6-39.50000111.9L29 T30 I31 T45 D67S27-L29 PolarHBondContact O-N 2.74Å; S27-T30 PolarHBondContact O-N 2.73Å; S27-I31 WeakPolarHBondContact O-CB 3.47Å; S27-I31 WeakPolarHBondContact O-CD1 3.48Å; S27-I31 VanDerWaalsContact O-CG1 3.23Å; S27-I31 WeakPolarHBondContact O-CG1 3.37Å; S27-I31 PolarHBondContact O-N 3.47Å; S27-T45 PolarHBondContact OG-OG1 2.67Å; S27-D67 WeakPolarHBondContact CA-OD1 3.4Å; S27-D67 VanDerWaalsContact CA-OD2 3.25Å; S27-D67 WeakPolarHBondContact CA-OD2 3.39Å; S27-D67 WeakPolarHBondContact CB-OD2 3.28Å; S27-D67 PolarHBondContact N-OD1 3.15Å; S27-D67 VanDerWaalsContact N-OD1 3.12Å; S27-D67 PolarHBondContact OG-OD1 3.09Å; S27-D67 PolarHBondContact OG-OD2 3.39Å
28A94.5Very high93.9Very high16 Ų1628.8 Ų28.813%0.13217%0.171CC..Hα-helixtrans-61.1-42.217700000112.3G25 K26 Q32 F38 A157G25-A28 PolarHBondContact O-N 3.28Å; K26-A28 VanDerWaalsContact C-N 3.34Å; K26-A28 PolarHBondContact O-N 2.9Å; A28-Q32 WeakPolarHBondContact O-CB 3.27Å; A28-Q32 PolarHBondContact O-N 3.15Å; A28-F38 HydrophobicContact CB-CE2 4.25Å; A28-A157 HydrophobicContact CB-CB 3.72Å
29L96.7Very high93.3Very high7 Ų730.9 Ų30.94%0.03718%0.184CC..Hα-helixtrans-65.7-43.9175.1-73170.5000111.7G25 K26 S27 Q32 F33 V91 V124 N126 A157 V164G25-L29 WeakPolarHBondContact O-CG 3.03Å; G25-L29 PolarHBondContact O-N 2.86Å; K26-L29 PolarHBondContact O-N 3.41Å; K26-L29 VanDerWaalsContact O-N 3.14Å; S27-L29 PolarHBondContact O-N 2.74Å; L29-Q32 PolarHBondContact O-N 3.39Å; L29-F33 WeakPolarHBondContact O-CB 3.5Å; L29-F33 PolarHBondContact O-N 3.29Å; L29-V91 HydrophobicContact CD1-CG1 3.83Å; L29-V91 HydrophobicContact CD1-CG2 4.19Å; L29-V124 HydrophobicContact CD1-CG1 4.08Å; L29-N126 HydrophobicContact CD1-CB 4.25Å; L29-A157 HydrophobicContact CD2-CB 4.04Å; L29-A157 HydrophobicContact CG-CB 4.35Å; L29-V164 HydrophobicContact CD2-CG1 4.42Å; L29-V164 HydrophobicContact CD2-CG2 3.82Å; L29-V164 WeakPolarHBondContact O-CG1 3.41Å
30T95.2Very high92.4Very high0 Ų035.2 Ų35.20%021%0.211CC..Hα-helixtrans-63.4-52.9178.9-57.10000110.6K26 S27 Q32 F33 F34 Y50 V65 D67K26-T30 PolarHBondContact O-N 2.78Å; K26-T30 PolarHBondContact O-OG1 3.02Å; K26-T30 VanDerWaalsContact O-OG1 3.09Å; S27-T30 PolarHBondContact O-N 2.73Å; T30-Q32 VanDerWaalsContact C-N 3.31Å; T30-Q32 PolarHBondContact O-N 2.94Å; T30-F33 WeakPolarHBondContact O-CB 3.31Å; T30-F33 PolarHBondContact O-N 3.18Å; T30-F34 HydrophobicContact CG2-CD2 3.91Å; T30-F34 HydrophobicContact CG2-CE2 3.99Å; T30-F34 VanDerWaalsContact O-CD2 3.28Å; T30-F34 WeakPolarHBondContact O-CD2 3.41Å; T30-F34 PolarHBondContact O-N 2.75Å; T30-Y50 HydrophobicContact CG2-CD2 3.5Å; T30-Y50 HydrophobicContact CG2-CE2 3.7Å; T30-Y50 HydrophobicContact CG2-CG 4.13Å; T30-V65 HydrophobicContact CG2-CG1 4.03Å; T30-D67 HydrophobicContact CG2-CB 4.31Å
31I94Very high91.2Very high4 Ų442.2 Ų42.22%0.02125%0.249CC..Hα-helixtrans-59.1-44178-66163.3000110.6S27 F33 F34 Q35 I37 V39 Y42S27-I31 WeakPolarHBondContact O-CB 3.47Å; S27-I31 WeakPolarHBondContact O-CD1 3.48Å; S27-I31 VanDerWaalsContact O-CG1 3.23Å; S27-I31 WeakPolarHBondContact O-CG1 3.37Å; S27-I31 PolarHBondContact O-N 3.47Å; I31-F33 VanDerWaalsContact C-N 3.3Å; I31-F33 PolarHBondContact O-N 3.38Å; I31-F34 PolarHBondContact O-N 2.94Å; I31-Q35 HydrophobicContact CG2-CB 4.28Å; I31-Q35 HydrophobicContact CG2-CG 4.44Å; I31-Q35 WeakPolarHBondContact O-CA 3.34Å; I31-Q35 WeakPolarHBondContact O-CB 3.21Å; I31-Q35 PolarHBondContact O-N 2.95Å; I31-I37 HydrophobicContact CG2-CD1 4.45Å; I31-I37 HydrophobicContact CG2-CG1 3.93Å; I31-V39 HydrophobicContact CG2-CG2 4.04Å; I31-Y42 HydrophobicContact CD1-CD2 3.49Å; I31-Y42 VanDerWaalsContact CD1-CD2 3.49Å; I31-Y42 HydrophobicContact CD1-CE2 3.33Å; I31-Y42 HydrophobicContact CD1-CG 4.22Å
32Q96.2Very high90Very high4 Ų444.9 Ų44.92%0.01926%0.257CS..Hα-helixtrans-62.1-37.7176.8-176.862-73.800111.7A28 L29 T30 K36 I37 A157 D159 P161 V164A28-Q32 WeakPolarHBondContact O-CB 3.27Å; A28-Q32 PolarHBondContact O-N 3.15Å; L29-Q32 PolarHBondContact O-N 3.39Å; T30-Q32 VanDerWaalsContact C-N 3.31Å; T30-Q32 PolarHBondContact O-N 2.94Å; Q32-K36 WeakPolarHBondContact O-CA 3.47Å; Q32-K36 WeakPolarHBondContact O-CD 3.34Å; Q32-K36 PolarHBondContact O-N 2.83Å; Q32-I37 WeakPolarHBondContact CA-O 3.33Å; Q32-A157 HydrophobicContact CB-CB 4.49Å; Q32-A157 PolarHBondContact NE2-O 3.34Å; Q32-D159 PolarHBondContact NE2-OD1 2.99Å; Q32-P161 HydrophobicContact CG-CB 3.79Å; Q32-P161 HydrophobicContact CG-CG 4.28Å; Q32-V164 HydrophobicContact CB-CG1 4.21Å; Q32-V164 HydrophobicContact CG-CB 4.34Å; Q32-V164 HydrophobicContact CG-CG1 4.13Å; Q32-V164 HydrophobicContact CG-CG2 3.96Å
33F96.7Very high88.9Confident0 Ų049.4 Ų49.40%027%0.271CS..Hα-helixtrans-66.1-40.9176.4178.7-117.5000113.3L29 T30 I31 K36 K52 L63 V164 D165 F168 H169L29-F33 WeakPolarHBondContact O-CB 3.5Å; L29-F33 PolarHBondContact O-N 3.29Å; T30-F33 WeakPolarHBondContact O-CB 3.31Å; T30-F33 PolarHBondContact O-N 3.18Å; I31-F33 VanDerWaalsContact C-N 3.3Å; I31-F33 PolarHBondContact O-N 3.38Å; F33-K36 PolarHBondContact O-NZ 3.44Å; F33-K52 HydrophobicContact CD1-CD 4.43Å; F33-K52 HydrophobicContact CE1-CD 3.81Å; F33-K52 HydrophobicContact CZ-CD 4.03Å; F33-K52 PolarHBondContact O-NZ 2.86Å; F33-L63 HydrophobicContact CE1-CD1 3.81Å; F33-L63 HydrophobicContact CZ-CD1 3.69Å; F33-V164 HydrophobicContact CB-CG1 3.87Å; F33-D165 HydrophobicContact CD2-CB 4.37Å; F33-D165 WeakPolarHBondContact CD2-OD1 3.34Å; F33-D165 HydrophobicContact CE2-CB 4.36Å; F33-F168 HydrophobicContact CB-CD2 3.77Å; F33-F168 HydrophobicContact CB-CE2 3.6Å; F33-F168 HydrophobicContact CB-CZ 4.26Å; F33-F168 HydrophobicContact CD1-CB 4.4Å; F33-F168 HydrophobicContact CD1-CD1 4.14Å; F33-F168 AromaticContact CD1-CD2 3.94Å; F33-F168 HydrophobicContact CD1-CD2 3.94Å; F33-F168 HydrophobicContact CD1-CE1 4.42Å; F33-F168 HydrophobicContact CD1-CE2 4.24Å; F33-F168 AromaticContact CD1-CG 3.89Å; F33-F168 HydrophobicContact CD1-CG 3.89Å; F33-F168 HydrophobicContact CD1-CZ 4.47Å; F33-F168 HydrophobicContact CD2-CB 4.15Å; F33-F168 AromaticContact CD2-CD2 3.71Å; F33-F168 HydrophobicContact CD2-CD2 3.71Å; F33-F168 HydrophobicContact CD2-CE2 4.43Å; F33-F168 HydrophobicContact CD2-CG 4.09Å; F33-F168 HydrophobicContact CE1-CB 4.1Å; F33-F168 HydrophobicContact CE1-CD1 4.29Å; F33-F168 HydrophobicContact CE1-CD2 4.48Å; F33-F168 HydrophobicContact CE1-CG 4.05Å; F33-F168 HydrophobicContact CE2-CB 3.85Å; F33-F168 HydrophobicContact CE2-CD2 4.29Å; F33-F168 HydrophobicContact CE2-CG 4.24Å; F33-F168 HydrophobicContact CG-CB 4.43Å; F33-F168 AromaticContact CG-CD2 3.52Å; F33-F168 HydrophobicContact CG-CD2 3.52Å; F33-F168 AromaticContact CG-CE2 3.85Å; F33-F168 HydrophobicContact CG-CE2 3.85Å; F33-F168 AromaticContact CG-CG 3.92Å; F33-F168 HydrophobicContact CG-CG 3.92Å; F33-F168 HydrophobicContact CG-CZ 4.48Å; F33-F168 HydrophobicContact CZ-CB 3.82Å; F33-F168 HydrophobicContact CZ-CG 4.22Å; F33-H169 AromaticContact CE2-NE2 3.79Å
34F94.6Very high87.6Confident40 Ų4051.5 Ų51.518%0.17527%0.274CS..Hα-helixtrans-86.3-46.4-175.3-80.6-93.8000113.5T30 I31 Y50 K52 V65T30-F34 HydrophobicContact CG2-CD2 3.91Å; T30-F34 HydrophobicContact CG2-CE2 3.99Å; T30-F34 VanDerWaalsContact O-CD2 3.28Å; T30-F34 WeakPolarHBondContact O-CD2 3.41Å; T30-F34 PolarHBondContact O-N 2.75Å; I31-F34 PolarHBondContact O-N 2.94Å; F34-Y50 HydrophobicContact CD1-CD1 4.48Å; F34-Y50 HydrophobicContact CD2-CD1 4.47Å; F34-Y50 HydrophobicContact CD2-CG 4.19Å; F34-Y50 HydrophobicContact CE1-CG 4.48Å; F34-Y50 VanDerWaalsContact CE2-CB 3.49Å; F34-Y50 HydrophobicContact CE2-CG 4.21Å; F34-Y50 HydrophobicContact CG-CD1 4.28Å; F34-Y50 HydrophobicContact CG-CG 4.36Å; F34-Y50 HydrophobicContact CZ-CG 4.38Å; F34-Y50 WeakPolarHBondContact CZ-O 3.34Å; F34-K52 HydrophobicContact CD1-CB 3.78Å; F34-K52 HydrophobicContact CD1-CD 4.13Å; F34-K52 HydrophobicContact CE1-CB 3.25Å; F34-K52 HydrophobicContact CE1-CD 4.2Å; F34-K52 HydrophobicContact CE1-CG 4.35Å; F34-K52 HydrophobicContact CZ-CB 4.02Å; F34-V65 HydrophobicContact CE2-CB 3.66Å; F34-V65 HydrophobicContact CE2-CG1 4.14Å; F34-V65 HydrophobicContact CE2-CG2 3.66Å; F34-V65 HydrophobicContact CZ-CB 3.73Å; F34-V65 HydrophobicContact CZ-CG2 3.56Å
35Q93.3Very high86Confident105 Ų10552.2 Ų52.249%0.49128%0.279SS..Hα-helixtrans-105.9-10.3-169-58.9-176.223.100113.8I31 I37I31-Q35 HydrophobicContact CG2-CB 4.28Å; I31-Q35 HydrophobicContact CG2-CG 4.44Å; I31-Q35 WeakPolarHBondContact O-CA 3.34Å; I31-Q35 WeakPolarHBondContact O-CB 3.21Å; I31-Q35 PolarHBondContact O-N 2.95Å; Q35-I37 HydrophobicContact CB-CD1 4.3Å; Q35-I37 HydrophobicContact CB-CG1 3.87Å; Q35-I37 PolarHBondContact O-N 2.85Å
36K94.9Very high84.5Confident105 Ų10559.5 Ų59.546%0.45731%0.312SS..SBendtrans60.232.1-179.7-51.2-55.8-175.5-173.90113.7Q32 F33 D165Q32-K36 WeakPolarHBondContact O-CA 3.47Å; Q32-K36 WeakPolarHBondContact O-CD 3.34Å; Q32-K36 PolarHBondContact O-N 2.83Å; F33-K36 PolarHBondContact O-NZ 3.44Å; K36-D165 IonicContact NZ-OD1 2.7Å; K36-D165 PolarHBondContact NZ-OD1 3.31Å; K36-D165 IonicContact NZ-OD2 3.44Å; K36-D165 PolarHBondContact NZ-OD2 3.38Å
37I93Very high83.3Confident77 Ų7761.5 Ų61.540%0.39532%0.321SS..  trans-130.9151.8175.963.9174.4000110.4I31 Q32 Q35 V39I31-I37 HydrophobicContact CG2-CD1 4.45Å; I31-I37 HydrophobicContact CG2-CG1 3.93Å; Q32-I37 WeakPolarHBondContact CA-O 3.33Å; Q35-I37 HydrophobicContact CB-CD1 4.3Å; Q35-I37 HydrophobicContact CB-CG1 3.87Å; Q35-I37 PolarHBondContact O-N 2.85Å; I37-V39 HydrophobicContact CD1-CG2 4.01Å; I37-V39 HydrophobicContact CG1-CG2 4.26Å
38F90.7Very high82.8Confident71 Ų7163.2 Ų63.231%0.31133%0.329SS..  trans-99.2123.6167.8178.2-113.7000111A28 P40 A157 K158 D159A28-F38 HydrophobicContact CB-CE2 4.25Å; F38-P40 HydrophobicContact CD1-CB 4.49Å; F38-P40 HydrophobicContact CE1-CB 3.76Å; F38-P40 HydrophobicContact CE1-CG 4.44Å; F38-P40 HydrophobicContact CZ-CB 4.21Å; F38-A157 HydrophobicContact CD2-CB 4.16Å; F38-A157 WeakPolarHBondContact CD2-O 3.36Å; F38-A157 HydrophobicContact CE2-CB 4.33Å; F38-K158 HydrophobicContact CD1-CG 4.36Å; F38-K158 HydrophobicContact CE1-CG 4.27Å; F38-K158 HydrophobicContact CE2-CB 4.45Å; F38-K158 HydrophobicContact CZ-CB 4.44Å; F38-D159 WeakPolarHBondContact CB-OD2 3.31Å
39V84.7Confident82.4Confident44 Ų4466 Ų6627%0.26735%0.347SS..  trans-108.1105.6174.6-175.90000108.3I31 I37 Y42I31-V39 HydrophobicContact CG2-CG2 4.04Å; I37-V39 HydrophobicContact CD1-CG2 4.01Å; I37-V39 HydrophobicContact CG1-CG2 4.26Å; V39-Y42 HydrophobicContact CG1-CD2 4.22Å
40P74Confident82.2Confident90 Ų9067.3 Ų67.358%0.58435%0.352SS*.SBendtrans-70.4-43.2-174.722.8-29.9000113F38F38-P40 HydrophobicContact CD1-CB 4.49Å; F38-P40 HydrophobicContact CE1-CB 3.76Å; F38-P40 HydrophobicContact CE1-CG 4.44Å; F38-P40 HydrophobicContact CZ-CB 4.21Å
41D69.5Low82.2Confident150 Ų15072.8 Ų72.880%0.80238%0.381SS*.SBendtrans-104.984.9-179.3-59.8-46.1000108.5
42Y66.6Low82.1Confident86 Ų8674.6 Ų74.634%0.33739%0.389SS..  trans-94.1128.2171.4-160.2-101.8000109.2I31 V39 T45 D48I31-Y42 HydrophobicContact CD1-CD2 3.49Å; I31-Y42 VanDerWaalsContact CD1-CD2 3.49Å; I31-Y42 HydrophobicContact CD1-CE2 3.33Å; I31-Y42 HydrophobicContact CD1-CG 4.22Å; V39-Y42 HydrophobicContact CG1-CD2 4.22Å; Y42-T45 HydrophobicContact CE1-CG2 4.08Å; Y42-T45 VanDerWaalsContact CE1-OG1 3.24Å; Y42-T45 WeakPolarHBondContact CE1-OG1 3.48Å; Y42-D48 PolarHBondContact OH-OD2 2.65Å
43D66.3Low82Confident137 Ų13779.3 Ų79.373%0.73341%0.411SS*.  trans-60.2126.9171.6-164.5-8000108.1T45D43-T45 PolarHBondContact O-N 2.64Å
44P63Low81.8Confident103 Ų10380.3 Ų80.367%0.66942%0.417SS*.  trans-43.1114178.3-32.635.7000112.4
45T59.8Low81.8Confident16 Ų1682.6 Ų82.610%0.09843%0.428CS..  trans-60.3141.1-172.1-310000111S27 Y42 D43 D48 D67 A69S27-T45 PolarHBondContact OG-OG1 2.67Å; Y42-T45 HydrophobicContact CE1-CG2 4.08Å; Y42-T45 VanDerWaalsContact CE1-OG1 3.24Å; Y42-T45 WeakPolarHBondContact CE1-OG1 3.48Å; D43-T45 PolarHBondContact O-N 2.64Å; T45-D48 HydrophobicContact CG2-CB 4.15Å; T45-D48 WeakPolarHBondContact CG2-OD2 3.37Å; T45-D67 PolarHBondContact OG1-OD2 3.43Å; T45-A69 WeakPolarHBondContact O-CB 3.4Å
46I63.9Low81.9Confident168 Ų16877.7 Ų77.786%0.86241%0.405SS*.SBendtrans-72.3-50.2166.5-65.6176.4000108.9
47E69.6Low81.9Confident49 Ų4977.3 Ų77.323%0.22941%0.408CS..  trans168.2132.7165.4178.9176.7101.600106.2L66 M77 Y81E47-L66 HydrophobicContact CG-CD1 3.59Å; E47-L66 HydrophobicContact CG-CD2 4.42Å; E47-L66 HydrophobicContact CG-CG 4.07Å; E47-M77 VanDerWaalsContact OE1-CE 3.31Å; E47-M77 WeakPolarHBondContact OE1-CE 3.37Å; E47-Y81 VanDerWaalsContact OE2-CE1 3.28Å; E47-Y81 WeakPolarHBondContact OE2-CE1 3.38Å
48D81.3Confident81.9Confident55 Ų5576.3 Ų76.329%0.29442%0.417SS..EExtended strand (participates in β ladder)trans-127.1135-179.1-74.5-40.2000111.8Y42 T45 Y50 D67Y42-D48 PolarHBondContact OH-OD2 2.65Å; T45-D48 HydrophobicContact CG2-CB 4.15Å; T45-D48 WeakPolarHBondContact CG2-OD2 3.37Å; D48-Y50 HydrophobicContact CB-CD2 4.22Å; D48-Y50 HydrophobicContact CB-CE2 3.37Å; D48-Y50 PolarHBondContact OD2-OH 3.14Å; D48-D67 PolarHBondContact N-O 3.17Å; D48-D67 PolarHBondContact O-N 2.93Å
49S86.2Confident82Confident74 Ų7478 Ų7852%0.51743%0.426SS..EExtended strand (participates in β ladder)trans-105.4133.3171.6167.30000110.7D64 V65S49-D64 PolarHBondContact OG-OD1 3Å; S49-D64 VanDerWaalsContact OG-OD1 3.04Å; S49-V65 CarbonylContact C-O 3.47Å; S49-V65 WeakPolarHBondContact CA-O 3.35Å
50Y92.3Very high82.5Confident36 Ų3678.4 Ų78.414%0.14142%0.422CS..EExtended strand (participates in β ladder)trans-124129.4-178.1-61.2-96000110.5T30 F34 D48 V65 D67T30-Y50 HydrophobicContact CG2-CD2 3.5Å; T30-Y50 HydrophobicContact CG2-CE2 3.7Å; T30-Y50 HydrophobicContact CG2-CG 4.13Å; F34-Y50 HydrophobicContact CD1-CD1 4.48Å; F34-Y50 HydrophobicContact CD2-CD1 4.47Å; F34-Y50 HydrophobicContact CD2-CG 4.19Å; F34-Y50 HydrophobicContact CE1-CG 4.48Å; F34-Y50 VanDerWaalsContact CE2-CB 3.49Å; F34-Y50 HydrophobicContact CE2-CG 4.21Å; F34-Y50 HydrophobicContact CG-CD1 4.28Å; F34-Y50 HydrophobicContact CG-CG 4.36Å; F34-Y50 HydrophobicContact CZ-CG 4.38Å; F34-Y50 WeakPolarHBondContact CZ-O 3.34Å; D48-Y50 HydrophobicContact CB-CD2 4.22Å; D48-Y50 HydrophobicContact CB-CE2 3.37Å; D48-Y50 PolarHBondContact OD2-OH 3.14Å; Y50-V65 PolarHBondContact N-O 3.46Å; Y50-V65 PolarHBondContact O-N 3.41Å; Y50-D67 HydrophobicContact CE2-CB 4.25Å
51L94.9Very high83.5Confident114 Ų11474.1 Ų74.160%0.59740%0.395SS*.EExtended strand (participates in β ladder)trans-108.7127.4177.7-76.1168.5000111.7I62 L63 D64L51-I62 HydrophobicContact CD2-CG2 3.85Å; L51-L63 WeakPolarHBondContact CA-O 3.33Å; L51-D64 HydrophobicContact CD2-CB 3.61Å
52K91.9Very high84.8Confident42 Ų4268.5 Ų68.518%0.18336%0.364CS..EExtended strand (participates in β ladder)trans-137125178.5175.7176.7-176.7-175.20111.6F33 F34 L63F33-K52 HydrophobicContact CD1-CD 4.43Å; F33-K52 HydrophobicContact CE1-CD 3.81Å; F33-K52 HydrophobicContact CZ-CD 4.03Å; F33-K52 PolarHBondContact O-NZ 2.86Å; F34-K52 HydrophobicContact CD1-CB 3.78Å; F34-K52 HydrophobicContact CD1-CD 4.13Å; F34-K52 HydrophobicContact CE1-CB 3.25Å; F34-K52 HydrophobicContact CE1-CD 4.2Å; F34-K52 HydrophobicContact CE1-CG 4.35Å; F34-K52 HydrophobicContact CZ-CB 4.02Å; K52-L63 PolarHBondContact N-O 2.91Å; K52-L63 PolarHBondContact O-N 3.27Å
53H94.3Very high86.3Confident104 Ų10464.4 Ų64.448%0.48135%0.348SS..EExtended strand (participates in β ladder)trans-80122166.2-63.588.9000108.3W60H53-W60 HydrophobicContact CB-CZ3 4.42Å
54T94Very high87.7Confident21 Ų2159.7 Ų59.713%0.12932%0.323CS..EExtended strand (participates in β ladder)trans-148.7151.2-179.7-168.30000111.5I56 A61 L63T54-I56 HydrophobicContact CG2-CD1 3.98Å; T54-I56 HydrophobicContact CG2-CG1 4.01Å; T54-A61 PolarHBondContact N-O 3.23Å; T54-A61 PolarHBondContact O-N 3.12Å; T54-L63 HydrophobicContact CG2-CD1 3.72Å; T54-L63 HydrophobicContact CG2-CG 3.85Å
55E94.6Very high89.3Confident88 Ų8854.8 Ų54.841%0.41129%0.291SS..EExtended strand (participates in β ladder)trans-93.3126.5171.7-172.3173.4-163.400109.4G58 W60E55-G58 VanDerWaalsContact OE1-CA 3.26Å; E55-G58 WeakPolarHBondContact OE1-CA 3.43Å; E55-W60 HydrophobicContact CB-CD2 4.17Å; E55-W60 HydrophobicContact CB-CE3 4.46Å; E55-W60 HydrophobicContact CB-CZ2 4.45Å
56I95.4Very high90.8Very high2 Ų255 Ų551%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-126.4117.6176.8-58.5168.1000107.2T54 G58 Q59 L63 H169 V172 R176T54-I56 HydrophobicContact CG2-CD1 3.98Å; T54-I56 HydrophobicContact CG2-CG1 4.01Å; I56-G58 VanDerWaalsContact C-N 3.31Å; I56-G58 PolarHBondContact O-N 3.48Å; I56-Q59 PolarHBondContact N-O 2.95Å; I56-Q59 PolarHBondContact O-N 3.43Å; I56-Q59 VanDerWaalsContact O-N 3.1Å; I56-L63 HydrophobicContact CD1-CD1 4.23Å; I56-L63 HydrophobicContact CD1-CD2 4.22Å; I56-H169 HydrophobicContact CG2-CB 4.1Å; I56-V172 HydrophobicContact CD1-CB 3.86Å; I56-V172 HydrophobicContact CD1-CG1 3.84Å; I56-V172 HydrophobicContact CD1-CG2 3.74Å; I56-R176 PolarHBondContact O-NH1 3.5Å
57D94.5Very high92Very high96 Ų9647 Ų4751%0.51325%0.251SS..THydrogen-bonded Turntrans53.743.8-178.7-50.8-33.3000113.2Q59 R173D57-Q59 VanDerWaalsContact C-N 3.26Å; D57-Q59 PolarHBondContact O-N 3.43Å; D57-R173 IonicContact OD1-CZ 3.5Å; D57-R173 IonicContact OD1-NE 3.39Å; D57-R173 PolarHBondContact OD1-NE 3.28Å; D57-R173 IonicContact OD1-NH2 2.74Å; D57-R173 PolarHBondContact OD1-NH2 3.42Å; D57-R173 WeakPolarHBondContact OD2-CG 3.07Å; D57-R173 IonicContact OD2-CZ 3.61Å; D57-R173 IonicContact OD2-NE 2.78Å; D57-R173 PolarHBondContact OD2-NE 3.01Å; D57-R173 IonicContact OD2-NH2 3.58Å
58G92.9Very high92.7Very high57 Ų5744.8 Ų44.859%0.58824%0.24SC*.THydrogen-bonded Turntrans76.66.418000000115E55 I56E55-G58 VanDerWaalsContact OE1-CA 3.26Å; E55-G58 WeakPolarHBondContact OE1-CA 3.43Å; I56-G58 VanDerWaalsContact C-N 3.31Å; I56-G58 PolarHBondContact O-N 3.48Å
59Q93.4Very high92.4Very high106 Ų10643.1 Ų43.150%0.49524%0.235SC..EExtended strand (participates in β ladder)trans-122.5115.2-178.4-64.2179.432.900110.7I56 D57 R176I56-Q59 PolarHBondContact N-O 2.95Å; I56-Q59 PolarHBondContact O-N 3.43Å; I56-Q59 VanDerWaalsContact O-N 3.1Å; D57-Q59 VanDerWaalsContact C-N 3.26Å; D57-Q59 PolarHBondContact O-N 3.43Å; Q59-R176 PolarHBondContact O-NH2 3.46Å; Q59-R176 VanDerWaalsContact O-NH2 3.15Å
60W94.4Very high91.2Very high52 Ų5240.8 Ų40.820%0.19722%0.222CC..EExtended strand (participates in β ladder)trans-63.4139.4173.7-76.495.1000112.1V6 P7 L11 H53 E55V6-W60 HydrophobicContact CG2-CH2 4.03Å; V6-W60 HydrophobicContact CG2-CZ3 4.02Å; P7-W60 HydrophobicContact CG-CG 4.44Å; L11-W60 HydrophobicContact CD1-CB 4.42Å; L11-W60 HydrophobicContact CD2-CB 3.48Å; L11-W60 VanDerWaalsContact CD2-CB 3.48Å; H53-W60 HydrophobicContact CB-CZ3 4.42Å; E55-W60 HydrophobicContact CB-CD2 4.17Å; E55-W60 HydrophobicContact CB-CE3 4.46Å; E55-W60 HydrophobicContact CB-CZ2 4.45Å
61A95.3Very high89.8Confident0 Ų047.2 Ų47.20%025%0.253CS..EExtended strand (participates in β ladder)trans-149.6162.2174.600000111P12 Y14 T54P12-A61 HydrophobicContact CG-CB 4.18Å; P12-A61 WeakPolarHBondContact O-CA 3.39Å; Y14-A61 HydrophobicContact CD2-CB 3.7Å; Y14-A61 HydrophobicContact CE2-CB 3.49Å; Y14-A61 VanDerWaalsContact CE2-CB 3.49Å; T54-A61 PolarHBondContact N-O 3.23Å; T54-A61 PolarHBondContact O-N 3.12Å
62I96.5Very high88.1Confident33 Ų3342.8 Ų42.817%0.16923%0.23CC..EExtended strand (participates in β ladder)trans-100.9122.1168.2-53.4179.2000107.1L11 P12 T13 Y14 L51L11-I62 HydrophobicContact CB-CD1 4.3Å; L11-I62 HydrophobicContact CB-CG1 4.07Å; L11-I62 HydrophobicContact CD1-CG1 4.33Å; P12-I62 PolarHBondContact O-N 3.38Å; T13-I62 CarbonylContact C-O 3.52Å; T13-I62 VanDerWaalsContact CA-O 3.27Å; T13-I62 WeakPolarHBondContact CA-O 3.42Å; T13-I62 HydrophobicContact CG2-CB 4.24Å; T13-I62 HydrophobicContact CG2-CG2 4.25Å; Y14-I62 PolarHBondContact N-O 2.8Å; L51-I62 HydrophobicContact CD2-CG2 3.85Å
63L97.3Very high86.2Confident0 Ų047.4 Ų47.40%025%0.252CS..EExtended strand (participates in β ladder)trans-95.9122.3169.8-52.8-173.1000108.4Y14 L16 F33 L51 K52 T54 I56 V65 V172Y14-L63 HydrophobicContact CD2-CD2 3.92Å; L16-L63 HydrophobicContact CD1-CD1 4.33Å; L16-L63 HydrophobicContact CD1-CD2 4.33Å; F33-L63 HydrophobicContact CE1-CD1 3.81Å; F33-L63 HydrophobicContact CZ-CD1 3.69Å; L51-L63 WeakPolarHBondContact CA-O 3.33Å; K52-L63 PolarHBondContact N-O 2.91Å; K52-L63 PolarHBondContact O-N 3.27Å; T54-L63 HydrophobicContact CG2-CD1 3.72Å; T54-L63 HydrophobicContact CG2-CG 3.85Å; I56-L63 HydrophobicContact CD1-CD1 4.23Å; I56-L63 HydrophobicContact CD1-CD2 4.22Å; L63-V65 HydrophobicContact CB-CG2 4.13Å; L63-V172 HydrophobicContact CD2-CG2 3.59Å
64D96.2Very high84.1Confident37 Ų3751.5 Ų51.520%0.19827%0.269CS..EExtended strand (participates in β ladder)trans-106.796.9171.8179.94.3000106.8T13 Y14 K15 L16 S49 L51T13-D64 HydrophobicContact CG2-CB 4.03Å; Y14-D64 PolarHBondContact O-N 3.23Å; K15-D64 CarbonylContact C-O 3.56Å; K15-D64 VanDerWaalsContact CA-O 3.28Å; K15-D64 WeakPolarHBondContact CA-O 3.26Å; K15-D64 HydrophobicContact CG-CB 4.15Å; L16-D64 PolarHBondContact N-O 3.49Å; S49-D64 PolarHBondContact OG-OD1 3Å; S49-D64 VanDerWaalsContact OG-OD1 3.04Å; L51-D64 HydrophobicContact CD2-CB 3.61Å
65V95.9Very high82.5Confident0 Ų052.8 Ų52.80%028%0.279CS..EExtended strand (participates in β ladder)trans-103.4122.3-171.6-178.30000109.5L16 V18 T30 F34 S49 Y50 L63 F168L16-V65 HydrophobicContact CB-CG2 4.2Å; L16-V65 HydrophobicContact CD1-CG2 4.23Å; L16-V65 HydrophobicContact CG-CG2 4.47Å; L16-V65 CarbonylContact O-C 3.57Å; L16-V65 VanDerWaalsContact O-CA 3.32Å; L16-V65 WeakPolarHBondContact O-CA 3.49Å; V18-V65 HydrophobicContact CG2-CG1 3.96Å; T30-V65 HydrophobicContact CG2-CG1 4.03Å; F34-V65 HydrophobicContact CE2-CB 3.66Å; F34-V65 HydrophobicContact CE2-CG1 4.14Å; F34-V65 HydrophobicContact CE2-CG2 3.66Å; F34-V65 HydrophobicContact CZ-CB 3.73Å; F34-V65 HydrophobicContact CZ-CG2 3.56Å; S49-V65 CarbonylContact C-O 3.47Å; S49-V65 WeakPolarHBondContact CA-O 3.35Å; Y50-V65 PolarHBondContact N-O 3.46Å; Y50-V65 PolarHBondContact O-N 3.41Å; L63-V65 HydrophobicContact CB-CG2 4.13Å; V65-F168 HydrophobicContact CG1-CE1 3.72Å; V65-F168 HydrophobicContact CG2-CD1 4.33Å; V65-F168 HydrophobicContact CG2-CE1 4.29Å
66L93.1Very high80.8Confident22 Ų2253 Ų5312%0.11530%0.295CS..EExtended strand (participates in β ladder)trans-98.8119.3173.2-168.570000110.6L16 V17 V18 E47 T68 Y81L16-L66 PolarHBondContact O-N 2.74Å; V17-L66 HydrophobicContact CG1-CD2 4.42Å; V18-L66 PolarHBondContact N-O 3.34Å; E47-L66 HydrophobicContact CG-CD1 3.59Å; E47-L66 HydrophobicContact CG-CD2 4.42Å; E47-L66 HydrophobicContact CG-CG 4.07Å; L66-T68 HydrophobicContact CD2-CG2 4.29Å; L66-T68 HydrophobicContact CG-CG2 4.42Å; L66-Y81 HydrophobicContact CD2-CD1 3.39Å; L66-Y81 HydrophobicContact CD2-CD2 4.11Å; L66-Y81 HydrophobicContact CD2-CE1 4.2Å; L66-Y81 HydrophobicContact CD2-CG 3.33Å
67D89.1Confident79.2Confident0 Ų057.9 Ų57.90%032%0.319CS..EExtended strand (participates in β ladder)trans-89.7112.1167.3-177.644.3000109.5K26 S27 T30 T45 D48 Y50K26-D67 VanDerWaalsContact C-OD1 3.28Å; K26-D67 VanDerWaalsContact CB-OD1 3.25Å; K26-D67 WeakPolarHBondContact CB-OD1 3.3Å; S27-D67 WeakPolarHBondContact CA-OD1 3.4Å; S27-D67 VanDerWaalsContact CA-OD2 3.25Å; S27-D67 WeakPolarHBondContact CA-OD2 3.39Å; S27-D67 WeakPolarHBondContact CB-OD2 3.28Å; S27-D67 PolarHBondContact N-OD1 3.15Å; S27-D67 VanDerWaalsContact N-OD1 3.12Å; S27-D67 PolarHBondContact OG-OD1 3.09Å; S27-D67 PolarHBondContact OG-OD2 3.39Å; T30-D67 HydrophobicContact CG2-CB 4.31Å; T45-D67 PolarHBondContact OG1-OD2 3.43Å; D48-D67 PolarHBondContact N-O 3.17Å; D48-D67 PolarHBondContact O-N 2.93Å; Y50-D67 HydrophobicContact CE2-CB 4.25Å
68T84.1Confident78.1Confident1 Ų156.1 Ų56.11%0.00631%0.305CS..  trans-88.1150.1-178.681.50000112.1V17 V18 V19 K26 L66 E72 Y81V17-T68 HydrophobicContact CG1-CG2 3.76Å; V18-T68 WeakPolarHBondContact O-CG2 3.36Å; V18-T68 PolarHBondContact O-OG1 3.37Å; V19-T68 HydrophobicContact CG1-CG2 4.43Å; K26-T68 WeakPolarHBondContact CE-O 3.48Å; L66-T68 HydrophobicContact CD2-CG2 4.29Å; L66-T68 HydrophobicContact CG-CG2 4.42Å; T68-E72 WeakPolarHBondContact CB-OE2 3.32Å; T68-E72 PolarHBondContact OG1-OE2 3.26Å; T68-Y81 HydrophobicContact CG2-CD2 4.44Å; T68-Y81 HydrophobicContact CG2-CE1 4.16Å; T68-Y81 HydrophobicContact CG2-CE2 3.93Å
69A74.8Confident77.3Confident21 Ų2158.4 Ų58.417%0.17430%0.301CS..  trans-65.5138168.300000109.5T45 Q71 E72T45-A69 WeakPolarHBondContact O-CB 3.4Å; A69-Q71 PolarHBondContact O-N 3.09Å; A69-Q71 VanDerWaalsContact O-N 3.1Å; A69-E72 VanDerWaalsContact O-CD 3.26Å; A69-E72 VanDerWaalsContact O-CG 3.24Å; A69-E72 WeakPolarHBondContact O-CG 3.44Å
70G61.4Low76.6Confident25 Ų2559.9 Ų59.926%0.25831%0.308SS..THydrogen-bonded Turntrans-77.515.3179.400000116.2G22G22-G70 PolarHBondContact N-O 3.31Å
71Q61Low76Confident171 Ų17158 Ų5880%0.79930%0.301SS*.THydrogen-bonded Turntrans-113.727.1-174.9-68.8-173.6-500112.8A69 E73A69-Q71 PolarHBondContact O-N 3.09Å; A69-Q71 VanDerWaalsContact O-N 3.1Å; Q71-E73 PolarHBondContact O-N 3.31Å
72E59.6Low75.6Confident21 Ų2158 Ų5810%0.09830%0.301CS..  trans-89.180.2-166.2-69.2173137.900113T68 A69 R78 Y81T68-E72 WeakPolarHBondContact CB-OE2 3.32Å; T68-E72 PolarHBondContact OG1-OE2 3.26Å; A69-E72 VanDerWaalsContact O-CD 3.26Å; A69-E72 VanDerWaalsContact O-CG 3.24Å; A69-E72 WeakPolarHBondContact O-CG 3.44Å; E72-R78 PolarHBondContact O-NH1 3.44Å; E72-Y81 PolarHBondContact OE1-OH 3.02Å; E72-Y81 PolarHBondContact OE2-OH 3.34Å
73E52.4Low75.4Confident139 Ų13963.3 Ų63.365%0.6532%0.319SS*.SBendtrans-97.3-17164.5-68.6178.2172.800112.5Q71Q71-E73 PolarHBondContact O-N 3.31Å
74F51.1Low75Confident190 Ų19066.5 Ų66.583%0.83334%0.338SS*.SBendtrans-144.710.4-165.8-61.5-73.3000119.6
75S58.9Low75Confident48 Ų4864.8 Ų64.834%0.33633%0.329SS..  trans-89.4136.1-177.879.30000113.6M77 R78S75-M77 PolarHBondContact O-N 3.31Å; S75-R78 WeakPolarHBondContact O-CB 3.28Å; S75-R78 PolarHBondContact O-N 2.95Å; S75-R78 VanDerWaalsContact O-N 3.13Å; S75-R78 PolarHBondContact OG-N 3.37Å
76A60.3Low75Confident92 Ų9267.7 Ų67.776%0.7635%0.345SS*.Hα-helixtrans-62.3-24.3169.900000112.5R78 E79A76-R78 PolarHBondContact O-N 3.14Å; A76-E79 PolarHBondContact O-N 2.84Å
77M61.2Low75.2Confident105 Ų10566.6 Ų66.652%0.51734%0.339SS..Hα-helixtrans-62.4-31.7174.4-65.717764.600111.8E47 S75 E79 Q80 Y81E47-M77 VanDerWaalsContact OE1-CE 3.31Å; E47-M77 WeakPolarHBondContact OE1-CE 3.37Å; S75-M77 PolarHBondContact O-N 3.31Å; M77-E79 VanDerWaalsContact C-N 3.28Å; M77-E79 PolarHBondContact O-N 3.34Å; M77-Q80 PolarHBondContact O-N 2.92Å; M77-Q80 VanDerWaalsContact O-N 3.09Å; M77-Y81 WeakPolarHBondContact O-CD1 3.31Å; M77-Y81 WeakPolarHBondContact O-CE1 3.5Å; M77-Y81 PolarHBondContact O-N 3.05Å
78R71.8Confident75.7Confident58 Ų5866.6 Ų66.622%0.21934%0.339CS..Hα-helixtrans-51.7-45.2174.7-173.2175.5-163.9-174.89.5113.4E72 S75 A76 Q80 Y81 M82E72-R78 PolarHBondContact O-NH1 3.44Å; S75-R78 WeakPolarHBondContact O-CB 3.28Å; S75-R78 PolarHBondContact O-N 2.95Å; S75-R78 VanDerWaalsContact O-N 3.13Å; S75-R78 PolarHBondContact OG-N 3.37Å; A76-R78 PolarHBondContact O-N 3.14Å; R78-Q80 VanDerWaalsContact C-N 3.31Å; R78-Q80 PolarHBondContact O-N 3.36Å; R78-Y81 VanDerWaalsContact CA-CE1 3.44Å; R78-Y81 VanDerWaalsContact CA-CZ 3.41Å; R78-Y81 WeakPolarHBondContact CA-OH 3.26Å; R78-Y81 HydrophobicContact CB-CE1 4.44Å; R78-Y81 HydrophobicContact CG-CE2 4.4Å; R78-Y81 WeakPolarHBondContact CG-OH 3.27Å; R78-M82 HydrophobicContact CG-CG 4.29Å; R78-M82 WeakPolarHBondContact O-CB 3.36Å; R78-M82 WeakPolarHBondContact O-CG 3.37Å; R78-M82 PolarHBondContact O-N 2.96Å
79E74.8Confident76.4Confident105 Ų10566.7 Ų66.749%0.49134%0.339SS..Hα-helixtrans-69.1-34.3-176.4-158.5-177.8-175.200111.7A76 M77 R83A76-E79 PolarHBondContact O-N 2.84Å; M77-E79 VanDerWaalsContact C-N 3.28Å; M77-E79 PolarHBondContact O-N 3.34Å; E79-R83 WeakPolarHBondContact O-CB 3.24Å; E79-R83 PolarHBondContact O-N 2.79Å; E79-R83 IonicContact OE1-CZ 3.42Å; E79-R83 IonicContact OE1-NH2 3.22Å; E79-R83 PolarHBondContact OE1-NH2 2.89Å; E79-R83 IonicContact OE2-NH2 2.64Å; E79-R83 PolarHBondContact OE2-NH2 2.8Å
80Q79.3Confident77.5Confident138 Ų13865.7 Ų65.765%0.64533%0.331SS*.Hα-helixtrans-66.8-52.2-176.7-178.2177.1-54.100112.3M77 R78 R83 T84M77-Q80 PolarHBondContact O-N 2.92Å; M77-Q80 VanDerWaalsContact O-N 3.09Å; R78-Q80 VanDerWaalsContact C-N 3.31Å; R78-Q80 PolarHBondContact O-N 3.36Å; Q80-R83 PolarHBondContact O-N 2.87Å; Q80-T84 WeakPolarHBondContact O-CB 3.49Å; Q80-T84 WeakPolarHBondContact O-CG2 3.34Å; Q80-T84 PolarHBondContact O-N 3.3Å; Q80-T84 PolarHBondContact O-OG1 2.73Å
81Y82.9Confident79.2Confident12 Ų1264.6 Ų64.65%0.04732%0.319CS..Hα-helixtrans-73.4-32.6-179.662-113.7000111.6V17 E47 L66 T68 E72 M77 R78 R83 T84 G85V17-Y81 HydrophobicContact CG1-CD2 3.64Å; V17-Y81 HydrophobicContact CG1-CE2 4.04Å; V17-Y81 HydrophobicContact CG1-CG 4.43Å; V17-Y81 HydrophobicContact CG2-CD2 4.42Å; E47-Y81 VanDerWaalsContact OE2-CE1 3.28Å; E47-Y81 WeakPolarHBondContact OE2-CE1 3.38Å; L66-Y81 HydrophobicContact CD2-CD1 3.39Å; L66-Y81 HydrophobicContact CD2-CD2 4.11Å; L66-Y81 HydrophobicContact CD2-CE1 4.2Å; L66-Y81 HydrophobicContact CD2-CG 3.33Å; T68-Y81 HydrophobicContact CG2-CD2 4.44Å; T68-Y81 HydrophobicContact CG2-CE1 4.16Å; T68-Y81 HydrophobicContact CG2-CE2 3.93Å; E72-Y81 PolarHBondContact OE1-OH 3.02Å; E72-Y81 PolarHBondContact OE2-OH 3.34Å; M77-Y81 WeakPolarHBondContact O-CD1 3.31Å; M77-Y81 WeakPolarHBondContact O-CE1 3.5Å; M77-Y81 PolarHBondContact O-N 3.05Å; R78-Y81 VanDerWaalsContact CA-CE1 3.44Å; R78-Y81 VanDerWaalsContact CA-CZ 3.41Å; R78-Y81 WeakPolarHBondContact CA-OH 3.26Å; R78-Y81 HydrophobicContact CB-CE1 4.44Å; R78-Y81 HydrophobicContact CG-CE2 4.4Å; R78-Y81 WeakPolarHBondContact CG-OH 3.27Å; Y81-R83 VanDerWaalsContact C-N 3.28Å; Y81-R83 PolarHBondContact O-N 3.25Å; Y81-T84 PolarHBondContact O-N 3.39Å; Y81-G85 PolarHBondContact O-N 3.26Å
82M87.1Confident81Confident1 Ų156.4 Ų56.41%0.00528%0.281CS..Hα-helixtrans-62.3-38.2172.3-72.5-73.1-174.400110.8V19 R78 F88 L109 I110 V113 K114V19-M82 HydrophobicContact CG1-CE 3.8Å; R78-M82 HydrophobicContact CG-CG 4.29Å; R78-M82 WeakPolarHBondContact O-CB 3.36Å; R78-M82 WeakPolarHBondContact O-CG 3.37Å; R78-M82 PolarHBondContact O-N 2.96Å; M82-F88 HydrophobicContact SD-CD1 4.18Å; M82-F88 HydrophobicContact SD-CE1 3.49Å; M82-F88 WeakPolarHBondContact SD-CE1 3.19Å; M82-F88 HydrophobicContact SD-CZ 4.11Å; M82-L109 HydrophobicContact CE-CD2 3.82Å; M82-L109 HydrophobicContact CE-CG 4.45Å; M82-I110 HydrophobicContact CE-CG1 4.42Å; M82-I110 HydrophobicContact SD-CG1 3.84Å; M82-V113 HydrophobicContact CB-CB 4.09Å; M82-V113 HydrophobicContact CB-CG1 3.65Å; M82-V113 HydrophobicContact CB-CG2 4.22Å; M82-K114 WeakPolarHBondContact O-CE 3.39Å; M82-K114 PolarHBondContact O-NZ 2.99Å
83R90.5Very high82.8Confident144 Ų14455.5 Ų55.554%0.54328%0.277SS..Hα-helixtrans-73-36.3177.3-167.1-179.1-64142-4.4112.8E79 Q80 Y81 V113 K114E79-R83 WeakPolarHBondContact O-CB 3.24Å; E79-R83 PolarHBondContact O-N 2.79Å; E79-R83 IonicContact OE1-CZ 3.42Å; E79-R83 IonicContact OE1-NH2 3.22Å; E79-R83 PolarHBondContact OE1-NH2 2.89Å; E79-R83 IonicContact OE2-NH2 2.64Å; E79-R83 PolarHBondContact OE2-NH2 2.8Å; Q80-R83 PolarHBondContact O-N 2.87Å; Y81-R83 VanDerWaalsContact C-N 3.28Å; Y81-R83 PolarHBondContact O-N 3.25Å; R83-V113 HydrophobicContact CB-CG1 4.23Å; R83-K114 PolarHBondContact O-NZ 2.85Å
84T89.6Confident85.1Confident66 Ų6648.9 Ų48.941%0.40525%0.246SC..Hα-helixtrans-98.6-14.6-172.558.60000116Q80 Y81Q80-T84 WeakPolarHBondContact O-CB 3.49Å; Q80-T84 WeakPolarHBondContact O-CG2 3.34Å; Q80-T84 PolarHBondContact O-N 3.3Å; Q80-T84 PolarHBondContact O-OG1 2.73Å; Y81-T84 PolarHBondContact O-N 3.39Å
85G95.3Very high87.3Confident1 Ų141.1 Ų41.11%0.0121%0.214CC..  trans-65.5134.1179.500000113.4K15 Y81 K114 F119K15-G85 CarbonylContact O-C 3.54Å; Y81-G85 PolarHBondContact O-N 3.26Å; G85-K114 VanDerWaalsContact O-CE 3.27Å; G85-K114 WeakPolarHBondContact O-CE 3.37Å; G85-K114 PolarHBondContact O-NZ 2.79Å; G85-F119 WeakPolarHBondContact O-CE1 3.43Å; G85-F119 WeakPolarHBondContact O-CZ 3.22Å
86D97.3Very high89.2Confident61 Ų6141.5 Ų41.533%0.32621%0.213SC..SBendtrans-80.5-23.4177.2-62.3-52.1000112.3K15 F119 I175K15-D86 PolarHBondContact N-OD2 3.48Å; K15-D86 PolarHBondContact O-N 3.45Å; D86-F119 VanDerWaalsContact O-CE1 3.31Å; D86-F119 WeakPolarHBondContact O-CE1 3.34Å; D86-I175 HydrophobicContact CB-CD1 4.02Å; D86-I175 WeakPolarHBondContact O-CG1 3.36Å
87G97.8Very high91Very high0 Ų042.5 Ų42.50%020%0.2CC..EExtended strand (participates in β ladder)trans-164162.6173.100000113.6K15 L16 V17 P120K15-G87 PolarHBondContact O-N 3.46Å; L16-G87 WeakPolarHBondContact CA-O 3.41Å; V17-G87 PolarHBondContact N-O 3.07Å; G87-P120 CarbonylContact C-O 3.58Å; G87-P120 WeakPolarHBondContact CA-O 3.46Å
88F98.1Very high92.7Very high0 Ų039.4 Ų39.40%019%0.191CC..EExtended strand (participates in β ladder)trans-126.8136.9-173.5-59.3-99.5000112.9V17 V19 M82 I110 F119 P120 M121 I122V17-F88 HydrophobicContact CB-CD1 3.62Å; V17-F88 HydrophobicContact CB-CE1 3.68Å; V17-F88 HydrophobicContact CG1-CD1 4.11Å; V17-F88 HydrophobicContact CG1-CE1 4.08Å; V17-F88 HydrophobicContact CG2-CD1 4.29Å; V17-F88 HydrophobicContact CG2-CE1 3.89Å; V17-F88 HydrophobicContact CG2-CZ 4.46Å; V17-F88 VanDerWaalsContact O-CA 3.31Å; V17-F88 WeakPolarHBondContact O-CA 3.4Å; V19-F88 HydrophobicContact CG1-CD1 4.21Å; M82-F88 HydrophobicContact SD-CD1 4.18Å; M82-F88 HydrophobicContact SD-CE1 3.49Å; M82-F88 WeakPolarHBondContact SD-CE1 3.19Å; M82-F88 HydrophobicContact SD-CZ 4.11Å; F88-I110 HydrophobicContact CB-CD1 3.7Å; F88-I110 HydrophobicContact CD1-CD1 3.87Å; F88-I110 HydrophobicContact CD1-CG1 3.94Å; F88-I110 HydrophobicContact CD2-CD1 4.19Å; F88-I110 HydrophobicContact CD2-CG1 4.26Å; F88-I110 HydrophobicContact CD2-CG2 3.66Å; F88-I110 HydrophobicContact CE1-CG1 4.22Å; F88-I110 HydrophobicContact CE2-CG2 3.72Å; F88-I110 HydrophobicContact CG-CD1 3.65Å; F88-I110 HydrophobicContact CG-CG1 4Å; F88-I110 HydrophobicContact CG-CG2 4.24Å; F88-I110 HydrophobicContact CZ-CG1 4.5Å; F88-I110 HydrophobicContact CZ-CG2 4.34Å; F88-F119 AromaticContact CD2-CD1 3.75Å; F88-F119 HydrophobicContact CD2-CD1 3.75Å; F88-F119 AromaticContact CD2-CE1 3.86Å; F88-F119 HydrophobicContact CD2-CE1 3.86Å; F88-F119 AromaticContact CE2-CD1 3.67Å; F88-F119 HydrophobicContact CE2-CD1 3.67Å; F88-F119 AromaticContact CE2-CE1 3.5Å; F88-F119 HydrophobicContact CE2-CE1 3.5Å; F88-F119 VanDerWaalsContact CE2-CE1 3.5Å; F88-P120 PolarHBondContact N-O 2.91Å; F88-M121 HydrophobicContact CB-CG 4.18Å; F88-M121 HydrophobicContact CD2-CG 4.49Å; F88-M121 CarbonylContact O-C 3.5Å; F88-M121 VanDerWaalsContact O-CA 3.23Å; F88-M121 WeakPolarHBondContact O-CA 3.35Å; F88-I122 PolarHBondContact O-N 3.35Å
89L98.6Very high93.9Very high2 Ų236.7 Ų36.71%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-95.6116.1161.9-65.3171.7000107.5V17 V18 V19 V91 I122 V124 A167 F168 L171V17-L89 PolarHBondContact O-N 2.83Å; V18-L89 HydrophobicContact CG1-CB 4.34Å; V18-L89 HydrophobicContact CG2-CD1 4.2Å; V19-L89 PolarHBondContact N-O 3.04Å; L89-V91 HydrophobicContact CB-CG2 4.31Å; L89-I122 HydrophobicContact CD2-CB 4.06Å; L89-I122 HydrophobicContact CD2-CG2 4.44Å; L89-V124 HydrophobicContact CB-CG2 4.2Å; L89-V124 HydrophobicContact CD2-CG2 3.8Å; L89-A167 HydrophobicContact CD2-CB 4.45Å; L89-F168 HydrophobicContact CD1-CD1 3.63Å; L89-F168 HydrophobicContact CD1-CD2 4.35Å; L89-F168 HydrophobicContact CD1-CE1 3.39Å; L89-F168 HydrophobicContact CD1-CE2 4.15Å; L89-F168 HydrophobicContact CD1-CG 4.11Å; L89-F168 HydrophobicContact CD1-CZ 3.68Å; L89-L171 HydrophobicContact CD2-CB 4.21Å; L89-L171 HydrophobicContact CD2-CD2 4Å; L89-L171 HydrophobicContact CG-CD2 3.82Å
90I97.9Very high95Very high0 Ų032.8 Ų32.80%016%0.162CC..EExtended strand (participates in β ladder)trans-95.3105.4173.6-51.9174.8000107.3V19 V103 F106 H107 I110 M121 I122 L123 V124V19-I90 HydrophobicContact CG2-CB 4.38Å; V19-I90 HydrophobicContact CG2-CG1 3.99Å; V19-I90 HydrophobicContact CG2-CG2 4.48Å; I90-V103 HydrophobicContact CG2-CB 4.42Å; I90-V103 HydrophobicContact CG2-CG1 4.06Å; I90-V103 HydrophobicContact CG2-CG2 4.26Å; I90-F106 HydrophobicContact CG2-CB 3.94Å; I90-F106 HydrophobicContact CG2-CG 4.48Å; I90-H107 HydrophobicContact CD1-CB 4.17Å; I90-I110 HydrophobicContact CD1-CD1 3.9Å; I90-I110 HydrophobicContact CG1-CD1 3.98Å; I90-M121 HydrophobicContact CD1-SD 4.02Å; I90-I122 PolarHBondContact N-O 2.88Å; I90-L123 HydrophobicContact CB-CD1 4.46Å; I90-L123 HydrophobicContact CG2-CD1 4.47Å; I90-V124 PolarHBondContact O-N 3.24Å
91V98.3Very high95.9Very high2 Ų231.4 Ų31.41%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-101.1130.3-172.4-169.90000110.3V18 V19 G20 V24 K26 L29 L89 V124 N126V18-V91 HydrophobicContact CG1-CG2 3.57Å; V19-V91 PolarHBondContact O-N 2.85Å; G20-V91 WeakPolarHBondContact CA-O 3.23Å; V24-V91 HydrophobicContact CB-CG1 4.3Å; V24-V91 HydrophobicContact CG2-CB 3.98Å; V24-V91 HydrophobicContact CG2-CG1 3.82Å; K26-V91 HydrophobicContact CG-CB 4.27Å; K26-V91 HydrophobicContact CG-CG2 4.42Å; L29-V91 HydrophobicContact CD1-CG1 3.83Å; L29-V91 HydrophobicContact CD1-CG2 4.19Å; L89-V91 HydrophobicContact CB-CG2 4.31Å; V91-V124 WeakPolarHBondContact CA-O 3.5Å; V91-V124 HydrophobicContact CB-CB 4.49Å; V91-V124 HydrophobicContact CG1-CB 4.48Å; V91-V124 HydrophobicContact CG1-CG1 4.38Å; V91-V124 HydrophobicContact CG2-CB 4.13Å; V91-V124 HydrophobicContact CG2-CG1 4.48Å; V91-N126 HydrophobicContact CG1-CB 3.9Å
92Y98.4Very high96.5Very high0 Ų032.8 Ų32.80%016%0.163CC..EExtended strand (participates in β ladder)trans-127.1160.3166.577.3-85.7000110.1V94 F100 V103 L123 V124 A125 N126 I136 G141 Y152Y92-V94 HydrophobicContact CE2-CG1 4.05Å; Y92-F100 HydrophobicContact CD1-CD2 4.25Å; Y92-F100 HydrophobicContact CD2-CB 3.74Å; Y92-F100 AromaticContact CD2-CD2 3.88Å; Y92-F100 HydrophobicContact CD2-CD2 3.88Å; Y92-F100 HydrophobicContact CD2-CG 4.26Å; Y92-F100 HydrophobicContact CE1-CD2 4.01Å; Y92-F100 HydrophobicContact CE1-CE2 4.46Å; Y92-F100 HydrophobicContact CE2-CB 4.11Å; Y92-F100 AromaticContact CE2-CD2 3.62Å; Y92-F100 HydrophobicContact CE2-CD2 3.62Å; Y92-F100 HydrophobicContact CE2-CE2 4.46Å; Y92-F100 HydrophobicContact CE2-CG 4.21Å; Y92-F100 HydrophobicContact CG-CB 4.28Å; Y92-F100 HydrophobicContact CG-CD2 4.17Å; Y92-F100 AromaticContact CZ-CD2 3.67Å; Y92-V103 HydrophobicContact CD1-CG2 4.12Å; Y92-V103 HydrophobicContact CG-CG2 4.31Å; Y92-L123 HydrophobicContact CD1-CD1 3.8Å; Y92-L123 HydrophobicContact CD1-CG 4.35Å; Y92-L123 HydrophobicContact CE1-CD1 3.99Å; Y92-L123 HydrophobicContact CE1-CD2 4.31Å; Y92-L123 HydrophobicContact CE1-CG 4.04Å; Y92-V124 WeakPolarHBondContact CD1-O 3.4Å; Y92-V124 PolarHBondContact N-O 3.16Å; Y92-A125 HydrophobicContact CE1-CB 3.71Å; Y92-A125 HydrophobicContact CE2-CB 4.32Å; Y92-A125 WeakPolarHBondContact OH-CB 3.28Å; Y92-N126 PolarHBondContact O-N 3.4Å; Y92-I136 HydrophobicContact CE2-CB 4.06Å; Y92-I136 HydrophobicContact CE2-CG1 4.22Å; Y92-I136 HydrophobicContact CE2-CG2 3.84Å; Y92-G141 WeakPolarHBondContact OH-CA 3.37Å; Y92-Y152 HydrophobicContact CE1-CE2 4.45Å
93S98.4Very high97Very high2 Ų232.8 Ų32.81%0.01416%0.163CC..EExtended strand (participates in β ladder)trans-95.2130.6173-179.40000110T95 D96 S99 K127S93-T95 PolarHBondContact O-N 3.49Å; S93-T95 PolarHBondContact OG-N 2.96Å; S93-T95 PolarHBondContact OG-OG1 2.91Å; S93-D96 PolarHBondContact O-N 2.97Å; S93-D96 VanDerWaalsContact O-O 3.09Å; S93-S99 PolarHBondContact N-OG 3.24Å; S93-S99 PolarHBondContact O-OG 3.06Å; S93-K127 WeakPolarHBondContact OG-CD 3.25Å
94V98.8Very high97.2Very high0 Ų027.6 Ų27.60%015%0.146CC..THydrogen-bonded Turntrans-64.9-13.6174.6-58.40000113.2Y92 A125 N126 K127 V128 R134 K135 I136Y92-V94 HydrophobicContact CE2-CG1 4.05Å; V94-A125 HydrophobicContact CG1-CB 3.81Å; V94-N126 PolarHBondContact N-O 3.32Å; V94-K127 WeakPolarHBondContact CG2-O 2.84Å; V94-V128 HydrophobicContact CG1-CG1 3.86Å; V94-V128 HydrophobicContact CG2-CG1 4.24Å; V94-R134 HydrophobicContact CB-CG 4.17Å; V94-R134 HydrophobicContact CG2-CG 4.12Å; V94-K135 PolarHBondContact O-N 3.38Å; V94-I136 PolarHBondContact O-N 3.29Å; V94-I136 VanDerWaalsContact O-N 3.11Å
95T98.4Very high97.4Very high26 Ų2631.8 Ų31.816%0.1615%0.154CC..THydrogen-bonded Turntrans-91.3-5.817671.70000113.8S93 L130 L133 K135S93-T95 PolarHBondContact O-N 3.49Å; S93-T95 PolarHBondContact OG-N 2.96Å; S93-T95 PolarHBondContact OG-OG1 2.91Å; T95-L130 HydrophobicContact CG2-CB 3.7Å; T95-L130 HydrophobicContact CG2-CD1 3.83Å; T95-L130 HydrophobicContact CG2-CG 4.4Å; T95-L133 WeakPolarHBondContact CA-O 3.48Å; T95-L133 WeakPolarHBondContact CB-O 3.38Å; T95-L133 HydrophobicContact CG2-CB 3.76Å; T95-K135 VanDerWaalsContact O-CD 3.26Å; T95-K135 WeakPolarHBondContact O-CD 3.44Å; T95-K135 VanDerWaalsContact O-CE 3.26Å; T95-K135 WeakPolarHBondContact O-CE 3.04Å; T95-K135 PolarHBondContact O-NZ 3.41Å
96D97.9Very high97.4Very high56 Ų5632.6 Ų32.630%0.29916%0.158SC..  trans-128.1105.9-177.1-177.76.7000111S93 A98 S99 F100S93-D96 PolarHBondContact O-N 2.97Å; S93-D96 VanDerWaalsContact O-O 3.09Å; D96-A98 VanDerWaalsContact C-N 3.34Å; D96-A98 PolarHBondContact O-N 3.14Å; D96-A98 PolarHBondContact OD1-N 2.92Å; D96-S99 PolarHBondContact O-N 3.24Å; D96-S99 PolarHBondContact O-OG 3.37Å; D96-F100 PolarHBondContact O-N 3.41Å
97K98.1Very high97.4Very high113 Ų11330.6 Ų30.649%0.49115%0.146SC..Hα-helixtrans-66.6-34.6-178.5-173.9178.1-176.5-160.30112.5S99 F100 E101 I136K97-S99 VanDerWaalsContact C-N 3.34Å; K97-S99 PolarHBondContact O-N 2.92Å; K97-F100 WeakPolarHBondContact O-CB 3.25Å; K97-F100 PolarHBondContact O-N 3.09Å; K97-E101 WeakPolarHBondContact CE-OE1 3.23Å; K97-E101 IonicContact NZ-OE1 3.72Å; K97-E101 PolarHBondContact O-N 2.99Å; K97-I136 HydrophobicContact CB-CD1 4.07Å; K97-I136 HydrophobicContact CG-CD1 3.85Å
98A97Very high97.2Very high40 Ų4036.2 Ų36.233%0.33117%0.172SC..Hα-helixtrans-63.9-43.9179.200000110.5D96 F100 E101 H102D96-A98 VanDerWaalsContact C-N 3.34Å; D96-A98 PolarHBondContact O-N 3.14Å; D96-A98 PolarHBondContact OD1-N 2.92Å; A98-F100 PolarHBondContact O-N 2.95Å; A98-E101 PolarHBondContact O-N 3.04Å; A98-E101 VanDerWaalsContact O-N 3.08Å; A98-H102 VanDerWaalsContact O-CG 3.28Å; A98-H102 PolarHBondContact O-N 2.96Å; A98-H102 PolarHBondContact O-ND1 2.96Å
99S97.3Very high97Very high1 Ų137.9 Ų37.91%0.00718%0.181CC..Hα-helixtrans-58.2-33176.178.20000113.6D21 S93 D96 K97D21-S99 WeakPolarHBondContact OD2-CA 3.47Å; S93-S99 PolarHBondContact N-OG 3.24Å; S93-S99 PolarHBondContact O-OG 3.06Å; D96-S99 PolarHBondContact O-N 3.24Å; D96-S99 PolarHBondContact O-OG 3.37Å; K97-S99 VanDerWaalsContact C-N 3.34Å; K97-S99 PolarHBondContact O-N 2.92Å
100F98.6Very high96.8Very high24 Ų2437.8 Ų37.811%0.10518%0.181CC..Hα-helixtrans-72.8-43.2175.3175.4-108.7000112.1Y92 D96 K97 A98 H102 V103 I136 Q140 M144Y92-F100 HydrophobicContact CD1-CD2 4.25Å; Y92-F100 HydrophobicContact CD2-CB 3.74Å; Y92-F100 AromaticContact CD2-CD2 3.88Å; Y92-F100 HydrophobicContact CD2-CD2 3.88Å; Y92-F100 HydrophobicContact CD2-CG 4.26Å; Y92-F100 HydrophobicContact CE1-CD2 4.01Å; Y92-F100 HydrophobicContact CE1-CE2 4.46Å; Y92-F100 HydrophobicContact CE2-CB 4.11Å; Y92-F100 AromaticContact CE2-CD2 3.62Å; Y92-F100 HydrophobicContact CE2-CD2 3.62Å; Y92-F100 HydrophobicContact CE2-CE2 4.46Å; Y92-F100 HydrophobicContact CE2-CG 4.21Å; Y92-F100 HydrophobicContact CG-CB 4.28Å; Y92-F100 HydrophobicContact CG-CD2 4.17Å; Y92-F100 AromaticContact CZ-CD2 3.67Å; D96-F100 PolarHBondContact O-N 3.41Å; K97-F100 WeakPolarHBondContact O-CB 3.25Å; K97-F100 PolarHBondContact O-N 3.09Å; A98-F100 PolarHBondContact O-N 2.95Å; F100-H102 PolarHBondContact O-N 2.67Å; F100-V103 VanDerWaalsContact O-CB 3.26Å; F100-V103 WeakPolarHBondContact O-CB 3.31Å; F100-V103 VanDerWaalsContact O-CG2 3.29Å; F100-V103 WeakPolarHBondContact O-CG2 3.35Å; F100-V103 PolarHBondContact O-N 2.6Å; F100-I136 HydrophobicContact CB-CD1 3.97Å; F100-I136 HydrophobicContact CB-CG1 3.85Å; F100-I136 HydrophobicContact CD1-CD1 3.76Å; F100-I136 HydrophobicContact CD1-CG1 4.3Å; F100-I136 HydrophobicContact CD1-CG2 4.23Å; F100-I136 HydrophobicContact CD2-CG2 3.96Å; F100-I136 HydrophobicContact CE1-CG2 4.35Å; F100-I136 HydrophobicContact CE2-CG2 4.09Å; F100-I136 HydrophobicContact CG-CD1 3.99Å; F100-I136 HydrophobicContact CG-CG1 4.03Å; F100-I136 HydrophobicContact CG-CG2 4.02Å; F100-I136 HydrophobicContact CZ-CG2 4.27Å; F100-Q140 HydrophobicContact CZ-CB 4.21Å; F100-M144 HydrophobicContact CE2-CB 3.72Å; F100-M144 HydrophobicContact CE2-CG 3.94Å; F100-M144 HydrophobicContact CE2-SD 4.02Å; F100-M144 HydrophobicContact CZ-CB 3.8Å; F100-M144 HydrophobicContact CZ-CG 4.22Å; F100-M144 HydrophobicContact CZ-SD 3.95Å
101E97Very high96.7Very high108 Ų10839.1 Ų39.151%0.50519%0.188SC..Hα-helixtrans-63.6-32.2176.6-69.2172.1-178.200111.8K97 A98 V103K97-E101 WeakPolarHBondContact CE-OE1 3.23Å; K97-E101 IonicContact NZ-OE1 3.72Å; K97-E101 PolarHBondContact O-N 2.99Å; A98-E101 PolarHBondContact O-N 3.04Å; A98-E101 VanDerWaalsContact O-N 3.08Å; E101-V103 VanDerWaalsContact C-N 3.31Å; E101-V103 PolarHBondContact O-N 2.9Å
102H96.1Very high96.5Very high41 Ų4149 Ų4919%0.1923%0.225CC..THydrogen-bonded Turntrans-76.1-10.5177.5-64.4161.5000114.7D21 A98 F100 D104 R105 F106D21-H102 IonicContact OD1-CG 3.93Å; D21-H102 IonicContact OD1-ND1 3.46Å; D21-H102 PolarHBondContact OD1-ND1 3.1Å; D21-H102 IonicContact OD2-CE1 3.66Å; D21-H102 IonicContact OD2-CG 3.65Å; D21-H102 IonicContact OD2-ND1 2.71Å; D21-H102 PolarHBondContact OD2-ND1 2.77Å; A98-H102 VanDerWaalsContact O-CG 3.28Å; A98-H102 PolarHBondContact O-N 2.96Å; A98-H102 PolarHBondContact O-ND1 2.96Å; F100-H102 PolarHBondContact O-N 2.67Å; H102-D104 PolarHBondContact O-N 2.87Å; H102-R105 PolarHBondContact NE2-NH1 3.32Å; H102-R105 PolarHBondContact NE2-NH2 3.4Å; H102-R105 WeakPolarHBondContact O-CB 3.48Å; H102-R105 PolarHBondContact O-N 3.25Å; H102-F106 HydrophobicContact CB-CE2 4.34Å; H102-F106 VanDerWaalsContact O-CD2 3.26Å; H102-F106 WeakPolarHBondContact O-CD2 2.93Å; H102-F106 PolarHBondContact O-N 2.8Å
103V96.9Very high96.2Very high1 Ų150.9 Ų50.91%0.00624%0.236CC..Hα-helixtrans-51.7-41.8173.5167.90000111.4I90 Y92 F100 E101 R105 F106 H107 L123 M144I90-V103 HydrophobicContact CG2-CB 4.42Å; I90-V103 HydrophobicContact CG2-CG1 4.06Å; I90-V103 HydrophobicContact CG2-CG2 4.26Å; Y92-V103 HydrophobicContact CD1-CG2 4.12Å; Y92-V103 HydrophobicContact CG-CG2 4.31Å; F100-V103 VanDerWaalsContact O-CB 3.26Å; F100-V103 WeakPolarHBondContact O-CB 3.31Å; F100-V103 VanDerWaalsContact O-CG2 3.29Å; F100-V103 WeakPolarHBondContact O-CG2 3.35Å; F100-V103 PolarHBondContact O-N 2.6Å; E101-V103 VanDerWaalsContact C-N 3.31Å; E101-V103 PolarHBondContact O-N 2.9Å; V103-R105 VanDerWaalsContact C-N 3.27Å; V103-R105 PolarHBondContact O-N 3.48Å; V103-F106 PolarHBondContact O-N 3.2Å; V103-H107 WeakPolarHBondContact O-CB 3.24Å; V103-H107 PolarHBondContact O-N 2.9Å; V103-L123 HydrophobicContact CB-CD1 4.39Å; V103-L123 HydrophobicContact CG1-CD1 3.58Å; V103-L123 HydrophobicContact CG2-CD1 3.84Å; V103-M144 HydrophobicContact CB-SD 4.32Å; V103-M144 HydrophobicContact CG1-CG 4.07Å; V103-M144 HydrophobicContact CG1-SD 4.22Å
104D96.3Very high96Very high36 Ų3652.2 Ų52.219%0.19324%0.242CC..Hα-helixtrans-61.5-37.1-179.8-164.790.8000111.3H102 H107 Q108 K147 H148H102-D104 PolarHBondContact O-N 2.87Å; D104-H107 PolarHBondContact O-N 3.34Å; D104-Q108 WeakPolarHBondContact O-CB 3.48Å; D104-Q108 VanDerWaalsContact O-CG 3.25Å; D104-Q108 WeakPolarHBondContact O-CG 3.27Å; D104-Q108 PolarHBondContact O-N 2.84Å; D104-Q108 PolarHBondContact OD2-NE2 3.4Å; D104-K147 IonicContact OD1-NZ 2.67Å; D104-K147 PolarHBondContact OD1-NZ 3.37Å; D104-H148 IonicContact OD1-CE1 3.83Å; D104-H148 PolarHBondContact OD1-CE1 3.27Å; D104-H148 VanDerWaalsContact OD1-CE1 3.22Å; D104-H148 IonicContact OD1-NE2 3.52Å; D104-H148 PolarHBondContact OD1-NE2 3.07Å
105R93.9Very high95.8Very high153 Ų15358.9 Ų58.958%0.57728%0.277SS*.Hα-helixtrans-65.1-44.4176.3-58.4-176.6-173.5172.17.2111.7H102 V103 L109H102-R105 PolarHBondContact NE2-NH1 3.32Å; H102-R105 PolarHBondContact NE2-NH2 3.4Å; H102-R105 WeakPolarHBondContact O-CB 3.48Å; H102-R105 PolarHBondContact O-N 3.25Å; V103-R105 VanDerWaalsContact C-N 3.27Å; V103-R105 PolarHBondContact O-N 3.48Å; R105-L109 VanDerWaalsContact O-CB 3.31Å; R105-L109 WeakPolarHBondContact O-CB 3.44Å; R105-L109 PolarHBondContact O-N 3.19Å
106F94.1Very high95.6Very high19 Ų1965.8 Ų65.88%0.08330%0.3CS..Hα-helixtrans-64.6-44.8176.8-71.3-76.2000111.5V19 G20 D21 I90 H102 V103 L109 I110V19-F106 HydrophobicContact CB-CD1 3.88Å; V19-F106 HydrophobicContact CB-CE1 4.2Å; V19-F106 HydrophobicContact CG2-CB 4.27Å; V19-F106 HydrophobicContact CG2-CD1 3.95Å; V19-F106 HydrophobicContact CG2-CG 4.28Å; G20-F106 VanDerWaalsContact C-CZ 3.41Å; G20-F106 VanDerWaalsContact CA-CZ 3.47Å; D21-F106 WeakPolarHBondContact OD1-CE2 3.11Å; I90-F106 HydrophobicContact CG2-CB 3.94Å; I90-F106 HydrophobicContact CG2-CG 4.48Å; H102-F106 HydrophobicContact CB-CE2 4.34Å; H102-F106 VanDerWaalsContact O-CD2 3.26Å; H102-F106 WeakPolarHBondContact O-CD2 2.93Å; H102-F106 PolarHBondContact O-N 2.8Å; V103-F106 PolarHBondContact O-N 3.2Å; F106-L109 PolarHBondContact O-N 2.76Å; F106-I110 WeakPolarHBondContact O-CD1 3.21Å; F106-I110 VanDerWaalsContact O-CG1 3.28Å; F106-I110 WeakPolarHBondContact O-CG1 3.47Å; F106-I110 PolarHBondContact O-N 2.99Å
107H96.7Very high95.4Very high19 Ų1972.2 Ų72.29%0.08833%0.329CS..Hα-helixtrans-58.6-51.3177.1176.4-85.2000111.9I90 V103 D104 L109 I110 L111 H148I90-H107 HydrophobicContact CD1-CB 4.17Å; V103-H107 WeakPolarHBondContact O-CB 3.24Å; V103-H107 PolarHBondContact O-N 2.9Å; D104-H107 PolarHBondContact O-N 3.34Å; H107-L109 VanDerWaalsContact C-N 3.3Å; H107-L109 PolarHBondContact O-N 2.98Å; H107-I110 PolarHBondContact O-N 3.33Å; H107-L111 WeakPolarHBondContact CE1-CD1 3.21Å; H107-L111 PolarHBondContact O-N 3.35Å; H107-L111 VanDerWaalsContact O-N 3.12Å; H107-H148 AromaticContact CD2-CG 3.71Å; H107-H148 AromaticContact CD2-ND1 3.57Å; H107-H148 AromaticContact CE1-ND1 3.26Å; H107-H148 PolarHBondContact CE1-ND1 2.86Å; H107-H148 VanDerWaalsContact CE1-ND1 3.26Å; H107-H148 AromaticContact CG-CE1 3.81Å; H107-H148 AromaticContact CG-CG 3.92Å; H107-H148 AromaticContact CG-ND1 3.43Å; H107-H148 AromaticContact ND1-CE1 3.64Å; H107-H148 AromaticContact ND1-ND1 3.24Å; H107-H148 PolarHBondContact ND1-ND1 3.07Å; H107-H148 AromaticContact NE2-CG 3.8Å; H107-H148 AromaticContact NE2-ND1 3.47Å; H107-H148 PolarHBondContact NE2-ND1 3.33Å
108Q95.4Very high95.2Very high117 Ų11770.5 Ų70.555%0.54733%0.331SS..Hα-helixtrans-59.7-41177.9-72.9-17813.100112D104 R112D104-Q108 WeakPolarHBondContact O-CB 3.48Å; D104-Q108 VanDerWaalsContact O-CG 3.25Å; D104-Q108 WeakPolarHBondContact O-CG 3.27Å; D104-Q108 PolarHBondContact O-N 2.84Å; D104-Q108 PolarHBondContact OD2-NE2 3.4Å; Q108-R112 VanDerWaalsContact O-CB 3.26Å; Q108-R112 WeakPolarHBondContact O-CB 3.31Å; Q108-R112 PolarHBondContact O-N 2.83Å
109L92.6Very high95.2Very high36 Ų3670.2 Ų70.219%0.18832%0.322CS..Hα-helixtrans-64.2-45.8178.3177.665.4000112.2M82 R105 F106 H107 L111 R112 V113M82-L109 HydrophobicContact CE-CD2 3.82Å; M82-L109 HydrophobicContact CE-CG 4.45Å; R105-L109 VanDerWaalsContact O-CB 3.31Å; R105-L109 WeakPolarHBondContact O-CB 3.44Å; R105-L109 PolarHBondContact O-N 3.19Å; F106-L109 PolarHBondContact O-N 2.76Å; H107-L109 VanDerWaalsContact C-N 3.3Å; H107-L109 PolarHBondContact O-N 2.98Å; L109-L111 VanDerWaalsContact C-N 3.35Å; L109-L111 PolarHBondContact O-N 3.38Å; L109-R112 PolarHBondContact O-N 2.85Å; L109-V113 HydrophobicContact CD1-CG2 3.81Å; L109-V113 HydrophobicContact CG-CG2 4.32Å; L109-V113 WeakPolarHBondContact O-CG2 3.39Å; L109-V113 PolarHBondContact O-N 2.58Å
110I94.6Very high95.3Very high0 Ų070.4 Ų70.40%032%0.324CS..Hα-helixtrans-57.5-51.4178.6-69.9159.8000109.3V19 M82 F88 I90 F106 H107 R112 V113 K114 F119 M121V19-I110 HydrophobicContact CG2-CD1 4.26Å; M82-I110 HydrophobicContact CE-CG1 4.42Å; M82-I110 HydrophobicContact SD-CG1 3.84Å; F88-I110 HydrophobicContact CB-CD1 3.7Å; F88-I110 HydrophobicContact CD1-CD1 3.87Å; F88-I110 HydrophobicContact CD1-CG1 3.94Å; F88-I110 HydrophobicContact CD2-CD1 4.19Å; F88-I110 HydrophobicContact CD2-CG1 4.26Å; F88-I110 HydrophobicContact CD2-CG2 3.66Å; F88-I110 HydrophobicContact CE1-CG1 4.22Å; F88-I110 HydrophobicContact CE2-CG2 3.72Å; F88-I110 HydrophobicContact CG-CD1 3.65Å; F88-I110 HydrophobicContact CG-CG1 4Å; F88-I110 HydrophobicContact CG-CG2 4.24Å; F88-I110 HydrophobicContact CZ-CG1 4.5Å; F88-I110 HydrophobicContact CZ-CG2 4.34Å; I90-I110 HydrophobicContact CD1-CD1 3.9Å; I90-I110 HydrophobicContact CG1-CD1 3.98Å; F106-I110 WeakPolarHBondContact O-CD1 3.21Å; F106-I110 VanDerWaalsContact O-CG1 3.28Å; F106-I110 WeakPolarHBondContact O-CG1 3.47Å; F106-I110 PolarHBondContact O-N 2.99Å; H107-I110 PolarHBondContact O-N 3.33Å; I110-R112 VanDerWaalsContact C-N 3.33Å; I110-R112 PolarHBondContact O-N 3.1Å; I110-V113 PolarHBondContact O-N 3.37Å; I110-K114 HydrophobicContact CG2-CG 4.21Å; I110-K114 VanDerWaalsContact O-CB 3.27Å; I110-K114 WeakPolarHBondContact O-CB 3.16Å; I110-K114 WeakPolarHBondContact O-CG 3.48Å; I110-K114 PolarHBondContact O-N 2.78Å; I110-F119 HydrophobicContact CG2-CB 4.36Å; I110-F119 HydrophobicContact CG2-CD1 4.21Å; I110-M121 HydrophobicContact CB-SD 4.02Å; I110-M121 HydrophobicContact CD1-CG 4.39Å; I110-M121 HydrophobicContact CD1-SD 3.79Å; I110-M121 HydrophobicContact CG2-CG 4.3Å; I110-M121 HydrophobicContact CG2-SD 3.7Å
111L95.9Very high95.3Very high28 Ų2869.5 Ų69.515%0.14732%0.32CS..Hα-helixtrans-61.4-41.1179.5-66.6-171000112.6H107 L109 K114 D115 R116 F119 M121H107-L111 WeakPolarHBondContact CE1-CD1 3.21Å; H107-L111 PolarHBondContact O-N 3.35Å; H107-L111 VanDerWaalsContact O-N 3.12Å; L109-L111 VanDerWaalsContact C-N 3.35Å; L109-L111 PolarHBondContact O-N 3.38Å; L111-K114 PolarHBondContact O-N 2.89Å; L111-D115 WeakPolarHBondContact O-CA 3.3Å; L111-D115 PolarHBondContact O-N 2.89Å; L111-R116 WeakPolarHBondContact CB-O 3.38Å; L111-R116 PolarHBondContact O-N 2.86Å; L111-F119 HydrophobicContact CD2-CB 4.05Å; L111-M121 HydrophobicContact CD2-CE 3.77Å; L111-M121 HydrophobicContact CG-CE 4.31Å
112R94.3Very high95.4Very high209 Ų20964.3 Ų64.379%0.78930%0.296SS*.Hα-helixtrans-62.4-45.7177.1179.3-178.4170.5-171-3.1112.3Q108 L109 I110 D115Q108-R112 VanDerWaalsContact O-CB 3.26Å; Q108-R112 WeakPolarHBondContact O-CB 3.31Å; Q108-R112 PolarHBondContact O-N 2.83Å; L109-R112 PolarHBondContact O-N 2.85Å; I110-R112 VanDerWaalsContact C-N 3.33Å; I110-R112 PolarHBondContact O-N 3.1Å; R112-D115 PolarHBondContact O-N 3.4Å
113V92.8Very high95.5Very high39 Ų3962.4 Ų62.424%0.23629%0.287CS..Hα-helixtrans-72.6-33.4-179.8176.10000111.3M82 R83 L109 I110 D115M82-V113 HydrophobicContact CB-CB 4.09Å; M82-V113 HydrophobicContact CB-CG1 3.65Å; M82-V113 HydrophobicContact CB-CG2 4.22Å; R83-V113 HydrophobicContact CB-CG1 4.23Å; L109-V113 HydrophobicContact CD1-CG2 3.81Å; L109-V113 HydrophobicContact CG-CG2 4.32Å; L109-V113 WeakPolarHBondContact O-CG2 3.39Å; L109-V113 PolarHBondContact O-N 2.58Å; I110-V113 PolarHBondContact O-N 3.37Å; V113-D115 VanDerWaalsContact C-N 3.32Å
114K93.6Very high95.6Very high30 Ų3062.4 Ų62.413%0.1329%0.287CS..Hα-helixtrans-77-18.7176.6-68.4-56.8-168.4-170.40114M82 R83 G85 I110 L111 R116 F119M82-K114 WeakPolarHBondContact O-CE 3.39Å; M82-K114 PolarHBondContact O-NZ 2.99Å; R83-K114 PolarHBondContact O-NZ 2.85Å; G85-K114 VanDerWaalsContact O-CE 3.27Å; G85-K114 WeakPolarHBondContact O-CE 3.37Å; G85-K114 PolarHBondContact O-NZ 2.79Å; I110-K114 HydrophobicContact CG2-CG 4.21Å; I110-K114 VanDerWaalsContact O-CB 3.27Å; I110-K114 WeakPolarHBondContact O-CB 3.16Å; I110-K114 WeakPolarHBondContact O-CG 3.48Å; I110-K114 PolarHBondContact O-N 2.78Å; L111-K114 PolarHBondContact O-N 2.89Å; K114-R116 HydrophobicContact CB-CB 4.42Å; K114-R116 HydrophobicContact CB-CG 4.21Å; K114-F119 HydrophobicContact CB-CD2 3.93Å; K114-F119 HydrophobicContact CB-CE2 4.38Å; K114-F119 HydrophobicContact CB-CG 4.32Å; K114-F119 HydrophobicContact CD-CD2 4.01Å; K114-F119 HydrophobicContact CD-CE1 4.24Å; K114-F119 HydrophobicContact CD-CE2 3.67Å; K114-F119 HydrophobicContact CD-CG 4.44Å; K114-F119 HydrophobicContact CD-CZ 3.83Å; K114-F119 VanDerWaalsContact CE-CE1 3.43Å; K114-F119 HydrophobicContact CG-CD1 4.1Å; K114-F119 HydrophobicContact CG-CD2 3.66Å; K114-F119 HydrophobicContact CG-CE1 4.31Å; K114-F119 HydrophobicContact CG-CE2 3.88Å; K114-F119 HydrophobicContact CG-CG 3.8Å; K114-F119 HydrophobicContact CG-CZ 4.23Å
115D94.8Very high95.7Very high141 Ų14160.7 Ų60.775%0.75428%0.277SS*.THydrogen-bonded Turntrans54.252.7-173.9-167.535.4000111.4L111 R112 V113L111-D115 WeakPolarHBondContact O-CA 3.3Å; L111-D115 PolarHBondContact O-N 2.89Å; R112-D115 PolarHBondContact O-N 3.4Å; V113-D115 VanDerWaalsContact C-N 3.32Å
116R93.8Very high95.9Very high170 Ų17053.5 Ų53.564%0.64225%0.251SS*.SBendtrans-141152.8-177.8-63.3-65.5-174.7-153.4-1.1111.4L111 K114 S118 F119L111-R116 WeakPolarHBondContact CB-O 3.38Å; L111-R116 PolarHBondContact O-N 2.86Å; K114-R116 HydrophobicContact CB-CB 4.42Å; K114-R116 HydrophobicContact CB-CG 4.21Å; R116-S118 VanDerWaalsContact CB-O 3.28Å; R116-S118 WeakPolarHBondContact CB-O 3.42Å; R116-F119 HydrophobicContact CG-CD2 4.44Å
117E93.3Very high96.1Very high192 Ų19255.5 Ų55.590%0.89726%0.259SS*.SBendtrans-75.7-26.6170.6-63.4-177.5167.300112.9
118S94.8Very high96.2Very high77 Ų7755 Ų5554%0.53826%0.257SS..  trans-145.4152174.7630000110.9R116R116-S118 VanDerWaalsContact CB-O 3.28Å; R116-S118 WeakPolarHBondContact CB-O 3.42Å
119F97.4Very high96.3Very high34 Ų3452.2 Ų52.215%0.14925%0.246CC..  trans-149.9153.6179.6-160.3-96.8000109.9G85 D86 F88 I110 L111 K114 R116 M121G85-F119 WeakPolarHBondContact O-CE1 3.43Å; G85-F119 WeakPolarHBondContact O-CZ 3.22Å; D86-F119 VanDerWaalsContact O-CE1 3.31Å; D86-F119 WeakPolarHBondContact O-CE1 3.34Å; F88-F119 AromaticContact CD2-CD1 3.75Å; F88-F119 HydrophobicContact CD2-CD1 3.75Å; F88-F119 AromaticContact CD2-CE1 3.86Å; F88-F119 HydrophobicContact CD2-CE1 3.86Å; F88-F119 AromaticContact CE2-CD1 3.67Å; F88-F119 HydrophobicContact CE2-CD1 3.67Å; F88-F119 AromaticContact CE2-CE1 3.5Å; F88-F119 HydrophobicContact CE2-CE1 3.5Å; F88-F119 VanDerWaalsContact CE2-CE1 3.5Å; I110-F119 HydrophobicContact CG2-CB 4.36Å; I110-F119 HydrophobicContact CG2-CD1 4.21Å; L111-F119 HydrophobicContact CD2-CB 4.05Å; K114-F119 HydrophobicContact CB-CD2 3.93Å; K114-F119 HydrophobicContact CB-CE2 4.38Å; K114-F119 HydrophobicContact CB-CG 4.32Å; K114-F119 HydrophobicContact CD-CD2 4.01Å; K114-F119 HydrophobicContact CD-CE1 4.24Å; K114-F119 HydrophobicContact CD-CE2 3.67Å; K114-F119 HydrophobicContact CD-CG 4.44Å; K114-F119 HydrophobicContact CD-CZ 3.83Å; K114-F119 VanDerWaalsContact CE-CE1 3.43Å; K114-F119 HydrophobicContact CG-CD1 4.1Å; K114-F119 HydrophobicContact CG-CD2 3.66Å; K114-F119 HydrophobicContact CG-CE1 4.31Å; K114-F119 HydrophobicContact CG-CE2 3.88Å; K114-F119 HydrophobicContact CG-CG 3.8Å; K114-F119 HydrophobicContact CG-CZ 4.23Å; R116-F119 HydrophobicContact CG-CD2 4.44Å; F119-M121 HydrophobicContact CB-CE 4.26Å; F119-M121 WeakPolarHBondContact O-CE 3.48Å; F119-M121 WeakPolarHBondContact O-CG 3.33Å; F119-M121 PolarHBondContact O-N 2.81Å
120P98.3Very high96.5Very high5 Ų553.2 Ų53.23%0.03225%0.251CS..SBendtrans-60112178.8-26.837.6000111.9G87 F88 L171 V174 I175 Q178G87-P120 CarbonylContact C-O 3.58Å; G87-P120 WeakPolarHBondContact CA-O 3.46Å; F88-P120 PolarHBondContact N-O 2.91Å; P120-L171 HydrophobicContact CB-CD1 4.38Å; P120-V174 HydrophobicContact CB-CG1 3.88Å; P120-I175 HydrophobicContact CB-CB 4.49Å; P120-I175 HydrophobicContact CB-CG1 3.58Å; P120-I175 HydrophobicContact CG-CG1 3.99Å; P120-Q178 HydrophobicContact CG-CG 4.28Å; P120-Q178 VanDerWaalsContact CG-OE1 3.23Å
121M98.4Very high96.5Very high4 Ų459.3 Ų59.32%0.0228%0.281CS..EExtended strand (participates in β ladder)trans-144.7150.8-178.3-63.7179.1-80.400109.7F88 I90 I110 L111 F119 I150 P151F88-M121 HydrophobicContact CB-CG 4.18Å; F88-M121 HydrophobicContact CD2-CG 4.49Å; F88-M121 CarbonylContact O-C 3.5Å; F88-M121 VanDerWaalsContact O-CA 3.23Å; F88-M121 WeakPolarHBondContact O-CA 3.35Å; I90-M121 HydrophobicContact CD1-SD 4.02Å; I110-M121 HydrophobicContact CB-SD 4.02Å; I110-M121 HydrophobicContact CD1-CG 4.39Å; I110-M121 HydrophobicContact CD1-SD 3.79Å; I110-M121 HydrophobicContact CG2-CG 4.3Å; I110-M121 HydrophobicContact CG2-SD 3.7Å; L111-M121 HydrophobicContact CD2-CE 3.77Å; L111-M121 HydrophobicContact CG-CE 4.31Å; F119-M121 HydrophobicContact CB-CE 4.26Å; F119-M121 WeakPolarHBondContact O-CE 3.48Å; F119-M121 WeakPolarHBondContact O-CG 3.33Å; F119-M121 PolarHBondContact O-N 2.81Å; M121-I150 HydrophobicContact CB-CD1 4.49Å; M121-I150 HydrophobicContact CB-CG2 4.03Å; M121-I150 HydrophobicContact CE-CG2 4.31Å; M121-P151 WeakPolarHBondContact O-CD 3.42Å
122I98.7Very high96.5Very high0 Ų067.2 Ų67.20%032%0.317CS..EExtended strand (participates in β ladder)trans-131.6135.8167.6-66.7-172.7000109F88 L89 I90 V124 P151 I153 D170 L171 V174F88-I122 PolarHBondContact O-N 3.35Å; L89-I122 HydrophobicContact CD2-CB 4.06Å; L89-I122 HydrophobicContact CD2-CG2 4.44Å; I90-I122 PolarHBondContact N-O 2.88Å; I122-V124 HydrophobicContact CG2-CG2 4.09Å; I122-P151 HydrophobicContact CD1-CB 4.36Å; I122-P151 HydrophobicContact CG1-CB 4.08Å; I122-P151 HydrophobicContact CG1-CG 4.09Å; I122-P151 HydrophobicContact CG2-CB 4.49Å; I122-I153 HydrophobicContact CG2-CG2 3.75Å; I122-D170 VanDerWaalsContact CD1-C 3.43Å; I122-D170 HydrophobicContact CD1-CB 3.44Å; I122-D170 VanDerWaalsContact CD1-CB 3.44Å; I122-L171 HydrophobicContact CD1-CB 4Å; I122-L171 HydrophobicContact CG1-CB 4.41Å; I122-L171 HydrophobicContact CG1-CD1 4.28Å; I122-V174 HydrophobicContact CD1-CG2 4.29Å; I122-V174 HydrophobicContact CG1-CG2 4.32Å
123L98.9Very high96.7Very high0 Ų062.5 Ų62.50%031%0.307CS..EExtended strand (participates in β ladder)trans-83.7121.7170.4-175.759.8000110.1I90 Y92 V103 G141 M144 A145 I150 P151 Y152 I153I90-L123 HydrophobicContact CB-CD1 4.46Å; I90-L123 HydrophobicContact CG2-CD1 4.47Å; Y92-L123 HydrophobicContact CD1-CD1 3.8Å; Y92-L123 HydrophobicContact CD1-CG 4.35Å; Y92-L123 HydrophobicContact CE1-CD1 3.99Å; Y92-L123 HydrophobicContact CE1-CD2 4.31Å; Y92-L123 HydrophobicContact CE1-CG 4.04Å; V103-L123 HydrophobicContact CB-CD1 4.39Å; V103-L123 HydrophobicContact CG1-CD1 3.58Å; V103-L123 HydrophobicContact CG2-CD1 3.84Å; L123-G141 WeakPolarHBondContact CD2-O 3.43Å; L123-M144 HydrophobicContact CD2-CB 3.88Å; L123-M144 HydrophobicContact CD2-CG 3.76Å; L123-A145 HydrophobicContact CB-CB 4.34Å; L123-A145 HydrophobicContact CD2-CB 4Å; L123-I150 HydrophobicContact CB-CD1 3.91Å; L123-I150 HydrophobicContact CB-CG1 4.33Å; L123-P151 PolarHBondContact N-O 3.12Å; L123-Y152 HydrophobicContact CB-CD2 4.49Å; L123-Y152 HydrophobicContact CD2-CD2 4.13Å; L123-Y152 HydrophobicContact CG-CD2 4.23Å; L123-Y152 WeakPolarHBondContact O-CA 3.39Å; L123-I153 PolarHBondContact O-N 3.2Å
124V98.9Very high96.9Very high1 Ų163.8 Ų63.81%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-113.9112.5-176.6-1760000110.2L29 L89 I90 V91 Y92 I122 I153 T155L29-V124 HydrophobicContact CD1-CG1 4.08Å; L89-V124 HydrophobicContact CB-CG2 4.2Å; L89-V124 HydrophobicContact CD2-CG2 3.8Å; I90-V124 PolarHBondContact O-N 3.24Å; V91-V124 WeakPolarHBondContact CA-O 3.5Å; V91-V124 HydrophobicContact CB-CB 4.49Å; V91-V124 HydrophobicContact CG1-CB 4.48Å; V91-V124 HydrophobicContact CG1-CG1 4.38Å; V91-V124 HydrophobicContact CG2-CB 4.13Å; V91-V124 HydrophobicContact CG2-CG1 4.48Å; Y92-V124 WeakPolarHBondContact CD1-O 3.4Å; Y92-V124 PolarHBondContact N-O 3.16Å; I122-V124 HydrophobicContact CG2-CG2 4.09Å; V124-I153 WeakPolarHBondContact CA-O 3.27Å; V124-I153 HydrophobicContact CB-CG2 4.41Å; V124-I153 HydrophobicContact CG1-CG2 4.38Å; V124-I153 HydrophobicContact CG2-CG2 3.94Å; V124-T155 HydrophobicContact CG1-CG2 3.74Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.28Å
125A98.8Very high97.2Very high0 Ų068.9 Ų68.90%033%0.33CS..EExtended strand (participates in β ladder)trans-86.8100.9169.800000109.7Y92 V94 Y152 I153 E154 T155Y92-A125 HydrophobicContact CE1-CB 3.71Å; Y92-A125 HydrophobicContact CE2-CB 4.32Å; Y92-A125 WeakPolarHBondContact OH-CB 3.28Å; V94-A125 HydrophobicContact CG1-CB 3.81Å; A125-Y152 HydrophobicContact CB-CE2 3.67Å; A125-Y152 WeakPolarHBondContact CB-OH 3.42Å; A125-I153 PolarHBondContact N-O 3.47Å; A125-E154 HydrophobicContact CB-CG 3.97Å; A125-E154 CarbonylContact O-C 3.53Å; A125-E154 WeakPolarHBondContact O-CA 3.39Å; A125-T155 PolarHBondContact O-N 2.71Å; A125-T155 PolarHBondContact O-OG1 3.44Å
126N98.8Very high97.3Very high3 Ų362.2 Ų62.22%0.01629%0.294CS..EExtended strand (participates in β ladder)trans-93.1164.4-179-165.524.4000112.4V24 L29 V91 Y92 V94 T155V24-N126 PolarHBondContact O-ND2 2.89Å; L29-N126 HydrophobicContact CD1-CB 4.25Å; V91-N126 HydrophobicContact CG1-CB 3.9Å; Y92-N126 PolarHBondContact O-N 3.4Å; V94-N126 PolarHBondContact N-O 3.32Å; N126-T155 CarbonylContact C-O 2.99Å; N126-T155 WeakPolarHBondContact CA-O 3.5Å; N126-T155 WeakPolarHBondContact CA-OG1 3.5Å; N126-T155 PolarHBondContact OD1-O 2.84Å; N126-T155 PolarHBondContact OD1-OG1 3.34Å
127K98.1Very high97.6Very high60 Ų6057 Ų5726%0.26128%0.282SS..  trans66.132.7178-43.3-164.5-167.6-175.50114.4G23 V24 S93 V94 D129 L130 T155G23-K127 VanDerWaalsContact O-CE 3.27Å; G23-K127 WeakPolarHBondContact O-CE 3.43Å; G23-K127 PolarHBondContact O-NZ 3.31Å; V24-K127 WeakPolarHBondContact O-CE 3.46Å; S93-K127 WeakPolarHBondContact OG-CD 3.25Å; V94-K127 WeakPolarHBondContact CG2-O 2.84Å; K127-D129 WeakPolarHBondContact CA-OD1 3.49Å; K127-D129 PolarHBondContact O-N 3.47Å; K127-L130 HydrophobicContact CB-CD1 4.06Å; K127-L130 HydrophobicContact CB-CG 4.39Å; K127-L130 HydrophobicContact CD-CD1 4.16Å; K127-L130 PolarHBondContact O-N 3.03Å; K127-T155 PolarHBondContact N-O 3.02Å; K127-T155 VanDerWaalsContact N-O 3.1Å
128V98.5Very high97.8Very high8 Ų853 Ų535%0.04826%0.258CS..THydrogen-bonded Turntrans-68.5-11.6179.6-55.70000113.8V94 L130 M131 E154 T155 L162V94-V128 HydrophobicContact CG1-CG1 3.86Å; V94-V128 HydrophobicContact CG2-CG1 4.24Å; V128-L130 PolarHBondContact O-N 2.88Å; V128-M131 WeakPolarHBondContact O-CE 3.27Å; V128-E154 HydrophobicContact CG1-CB 3.81Å; V128-E154 HydrophobicContact CG1-CG 3.88Å; V128-E154 HydrophobicContact CG2-CB 4.33Å; V128-T155 WeakPolarHBondContact CG2-O 3.28Å; V128-T155 PolarHBondContact N-O 2.94Å; V128-L162 HydrophobicContact CG2-CD2 3.62Å
129D98.1Very high98Very high60 Ų6054.4 Ų54.432%0.32126%0.256SS..THydrogen-bonded Turntrans-65.3-22.916957.8-71.5000112.9K127 M131 S156 K158K127-D129 WeakPolarHBondContact CA-OD1 3.49Å; K127-D129 PolarHBondContact O-N 3.47Å; D129-M131 VanDerWaalsContact C-N 3.29Å; D129-M131 PolarHBondContact O-N 3.18Å; D129-S156 VanDerWaalsContact OD1-CB 3.3Å; D129-S156 WeakPolarHBondContact OD1-CB 3.27Å; D129-S156 PolarHBondContact OD1-OG 3.2Å; D129-K158 WeakPolarHBondContact OD2-CD 3.26Å
130L96.6Very high98.1Very high56 Ų5656.2 Ų56.229%0.29327%0.265SS..  trans-87.559-178.5-58.7-179.5000112.3T95 K127 V128 H132 L133 R134T95-L130 HydrophobicContact CG2-CB 3.7Å; T95-L130 HydrophobicContact CG2-CD1 3.83Å; T95-L130 HydrophobicContact CG2-CG 4.4Å; K127-L130 HydrophobicContact CB-CD1 4.06Å; K127-L130 HydrophobicContact CB-CG 4.39Å; K127-L130 HydrophobicContact CD-CD1 4.16Å; K127-L130 PolarHBondContact O-N 3.03Å; V128-L130 PolarHBondContact O-N 2.88Å; L130-H132 VanDerWaalsContact C-N 3.3Å; L130-H132 PolarHBondContact O-N 2.69Å; L130-L133 HydrophobicContact CB-CB 4.31Å; L130-L133 HydrophobicContact CD1-CD1 4.47Å; L130-L133 PolarHBondContact O-N 2.65Å; L130-R134 PolarHBondContact O-N 3.21Å; L130-R134 VanDerWaalsContact O-N 3.13Å
131M94.1Very high98.1Very high128 Ų12856 Ų5663%0.63126%0.264SS*.G310 helixtrans-52.4-43-174.9-65.2-66.9-178.900113.6V128 D129 L133 R134V128-M131 WeakPolarHBondContact O-CE 3.27Å; D129-M131 VanDerWaalsContact C-N 3.29Å; D129-M131 PolarHBondContact O-N 3.18Å; M131-L133 VanDerWaalsContact C-N 3.27Å; M131-L133 PolarHBondContact O-N 2.96Å; M131-R134 VanDerWaalsContact O-CB 3.3Å; M131-R134 WeakPolarHBondContact O-CB 3.2Å; M131-R134 PolarHBondContact O-N 3.09Å
132H96.3Very high98.1Very high195 Ų19561.5 Ų61.590%0.90328%0.284SS*.G310 helixtrans-70.6-20.5-178.9-63.1-64.6000114.2L130L130-H132 VanDerWaalsContact C-N 3.3Å; L130-H132 PolarHBondContact O-N 2.69Å
133L97.4Very high98.1Very high110 Ų11067.8 Ų67.858%0.57631%0.314SS*.G310 helixtrans-103.21.1179.3-61177.2000111.9T95 L130 M131 K135T95-L133 WeakPolarHBondContact CA-O 3.48Å; T95-L133 WeakPolarHBondContact CB-O 3.38Å; T95-L133 HydrophobicContact CG2-CB 3.76Å; L130-L133 HydrophobicContact CB-CB 4.31Å; L130-L133 HydrophobicContact CD1-CD1 4.47Å; L130-L133 PolarHBondContact O-N 2.65Å; M131-L133 VanDerWaalsContact C-N 3.27Å; M131-L133 PolarHBondContact O-N 2.96Å; L133-K135 PolarHBondContact O-N 3.45Å
134R98.4Very high98.1Very high66 Ų6669.2 Ų69.225%0.24932%0.321CS..  trans-65122.3-177.2-173.7170.3-174.4150.811.4110.3V94 L130 M131 I136 T137 E154V94-R134 HydrophobicContact CB-CG 4.17Å; V94-R134 HydrophobicContact CG2-CG 4.12Å; L130-R134 PolarHBondContact O-N 3.21Å; L130-R134 VanDerWaalsContact O-N 3.13Å; M131-R134 VanDerWaalsContact O-CB 3.3Å; M131-R134 WeakPolarHBondContact O-CB 3.2Å; M131-R134 PolarHBondContact O-N 3.09Å; R134-I136 WeakPolarHBondContact CG-O 3.43Å; R134-I136 PolarHBondContact NE-O 3.26Å; R134-I136 PolarHBondContact NH2-O 3.13Å; R134-T137 VanDerWaalsContact NH2-C 3.29Å; R134-E154 IonicContact CZ-OE1 3.82Å; R134-E154 VanDerWaalsContact CZ-OE1 3.29Å; R134-E154 IonicContact NH1-OE1 2.67Å; R134-E154 PolarHBondContact NH1-OE1 3.33Å; R134-E154 IonicContact NH2-OE1 2.74Å; R134-E154 PolarHBondContact NH2-OE1 3.26Å
135K98.4Very high98.1Very high136 Ų13669.3 Ų69.359%0.59132%0.322SS*.  trans-108.6-21.5176.7-60.6-176-172.4166.80113V94 T95 L133V94-K135 PolarHBondContact O-N 3.38Å; T95-K135 VanDerWaalsContact O-CD 3.26Å; T95-K135 WeakPolarHBondContact O-CD 3.44Å; T95-K135 VanDerWaalsContact O-CE 3.26Å; T95-K135 WeakPolarHBondContact O-CE 3.04Å; T95-K135 PolarHBondContact O-NZ 3.41Å; L133-K135 PolarHBondContact O-N 3.45Å
136I98.6Very high98Very high2 Ų274.5 Ų74.51%0.0135%0.354CS..SBendtrans-114.9120.4-179.2-52.7-56000109.7Y92 V94 K97 F100 R134 Q140Y92-I136 HydrophobicContact CE2-CB 4.06Å; Y92-I136 HydrophobicContact CE2-CG1 4.22Å; Y92-I136 HydrophobicContact CE2-CG2 3.84Å; V94-I136 PolarHBondContact O-N 3.29Å; V94-I136 VanDerWaalsContact O-N 3.11Å; K97-I136 HydrophobicContact CB-CD1 4.07Å; K97-I136 HydrophobicContact CG-CD1 3.85Å; F100-I136 HydrophobicContact CB-CD1 3.97Å; F100-I136 HydrophobicContact CB-CG1 3.85Å; F100-I136 HydrophobicContact CD1-CD1 3.76Å; F100-I136 HydrophobicContact CD1-CG1 4.3Å; F100-I136 HydrophobicContact CD1-CG2 4.23Å; F100-I136 HydrophobicContact CD2-CG2 3.96Å; F100-I136 HydrophobicContact CE1-CG2 4.35Å; F100-I136 HydrophobicContact CE2-CG2 4.09Å; F100-I136 HydrophobicContact CG-CD1 3.99Å; F100-I136 HydrophobicContact CG-CG1 4.03Å; F100-I136 HydrophobicContact CG-CG2 4.02Å; F100-I136 HydrophobicContact CZ-CG2 4.27Å; R134-I136 WeakPolarHBondContact CG-O 3.43Å; R134-I136 PolarHBondContact NE-O 3.26Å; R134-I136 PolarHBondContact NH2-O 3.13Å; I136-Q140 HydrophobicContact CG2-CB 3.93Å
137T98.5Very high98Very high61 Ų6180.7 Ų80.737%0.37438%0.38SS..  trans-73.3168.1178.875.20000111.8R134 E139 Q140 G141R134-T137 VanDerWaalsContact NH2-C 3.29Å; T137-E139 VanDerWaalsContact C-N 3.28Å; T137-E139 WeakPolarHBondContact CB-OE2 3.47Å; T137-E139 PolarHBondContact OG1-OE2 3.13Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.2Å; T137-Q140 PolarHBondContact OG1-N 3.44Å; T137-G141 PolarHBondContact O-N 2.67Å
138R98.4Very high98Very high108 Ų10879 Ų7941%0.40837%0.373SS..Hα-helixtrans-68.9-35.7178.8-173.3-178.3-174.9-171.76110.7G141 R142 Y152 E154R138-G141 PolarHBondContact O-N 3.29Å; R138-R142 VanDerWaalsContact CZ-NH2 3.33Å; R138-R142 VanDerWaalsContact NH2-NH2 3.11Å; R138-R142 WeakPolarHBondContact O-CG 3.38Å; R138-R142 PolarHBondContact O-N 3.35Å; R138-Y152 HydrophobicContact CG-CE1 3.99Å; R138-E154 IonicContact NE-OE2 2.65Å
139E98.6Very high98Very high106 Ų10685.7 Ų85.750%0.49541%0.409SS..Hα-helixtrans-62.7-48.2178.6-63.865.2-14000109.9T137 G141 R142 E143T137-E139 VanDerWaalsContact C-N 3.28Å; T137-E139 WeakPolarHBondContact CB-OE2 3.47Å; T137-E139 PolarHBondContact OG1-OE2 3.13Å; E139-G141 VanDerWaalsContact C-N 3.32Å; E139-G141 PolarHBondContact O-N 2.95Å; E139-R142 PolarHBondContact O-N 2.74Å; E139-R142 VanDerWaalsContact O-N 3.14Å; E139-E143 WeakPolarHBondContact O-CB 3.17Å; E139-E143 WeakPolarHBondContact O-CG 3.28Å; E139-E143 PolarHBondContact O-N 3.06Å
140Q98.6Very high98Very high72 Ų7283.8 Ų83.834%0.33640%0.398SS..Hα-helixtrans-58-43.5175.4-70.7175.7-52.600112.2F100 I136 T137 E143 M144F100-Q140 HydrophobicContact CZ-CB 4.21Å; I136-Q140 HydrophobicContact CG2-CB 3.93Å; T137-Q140 WeakPolarHBondContact OG1-CG 3.2Å; T137-Q140 PolarHBondContact OG1-N 3.44Å; Q140-E143 PolarHBondContact O-N 2.97Å; Q140-M144 WeakPolarHBondContact O-CB 3.13Å; Q140-M144 PolarHBondContact O-N 3Å
141G98.6Very high98.1Very high0 Ų083.8 Ų83.80%040%0.402CS..Hα-helixtrans-62.3-42.6175.700000113Y92 L123 T137 R138 E139 M144 A145Y92-G141 WeakPolarHBondContact OH-CA 3.37Å; L123-G141 WeakPolarHBondContact CD2-O 3.43Å; T137-G141 PolarHBondContact O-N 2.67Å; R138-G141 PolarHBondContact O-N 3.29Å; E139-G141 VanDerWaalsContact C-N 3.32Å; E139-G141 PolarHBondContact O-N 2.95Å; G141-M144 PolarHBondContact O-N 3.2Å; G141-A145 PolarHBondContact O-N 3.42Å
142R98.6Very high98.3Very high119 Ų11979.9 Ų79.945%0.44938%0.38SS..Hα-helixtrans-67.1-39.9176.5-77.3177.9166.3179.3-6.9112.9R138 E139 A145 T146 Y152R138-R142 VanDerWaalsContact CZ-NH2 3.33Å; R138-R142 VanDerWaalsContact NH2-NH2 3.11Å; R138-R142 WeakPolarHBondContact O-CG 3.38Å; R138-R142 PolarHBondContact O-N 3.35Å; E139-R142 PolarHBondContact O-N 2.74Å; E139-R142 VanDerWaalsContact O-N 3.14Å; R142-A145 PolarHBondContact O-N 3.48Å; R142-T146 WeakPolarHBondContact O-CB 3.49Å; R142-T146 PolarHBondContact O-N 3.03Å; R142-T146 PolarHBondContact O-OG1 3.32Å; R142-Y152 HydrophobicContact CG-CD1 3.56Å; R142-Y152 HydrophobicContact CG-CE1 3.89Å; R142-Y152 HydrophobicContact CG-CG 4.15Å
143E98.8Very high98.4Very high133 Ų13371 Ų7162%0.62134%0.339SS*.Hα-helixtrans-62.2-44175.2-75.3171.6-170.900110.8E139 Q140 A145 T146 K147E139-E143 WeakPolarHBondContact O-CB 3.17Å; E139-E143 WeakPolarHBondContact O-CG 3.28Å; E139-E143 PolarHBondContact O-N 3.06Å; Q140-E143 PolarHBondContact O-N 2.97Å; E143-A145 PolarHBondContact O-N 2.7Å; E143-T146 PolarHBondContact O-N 2.88Å; E143-K147 WeakPolarHBondContact O-CB 3.49Å; E143-K147 PolarHBondContact O-N 2.99Å
144M98.6Very high98.5Very high30 Ų3067.2 Ų67.215%0.14832%0.319CS..Hα-helixtrans-59.3-47.4174.2-174.5100-50.600111.8F100 V103 L123 Q140 G141 T146 K147 H148F100-M144 HydrophobicContact CE2-CB 3.72Å; F100-M144 HydrophobicContact CE2-CG 3.94Å; F100-M144 HydrophobicContact CE2-SD 4.02Å; F100-M144 HydrophobicContact CZ-CB 3.8Å; F100-M144 HydrophobicContact CZ-CG 4.22Å; F100-M144 HydrophobicContact CZ-SD 3.95Å; V103-M144 HydrophobicContact CB-SD 4.32Å; V103-M144 HydrophobicContact CG1-CG 4.07Å; V103-M144 HydrophobicContact CG1-SD 4.22Å; L123-M144 HydrophobicContact CD2-CB 3.88Å; L123-M144 HydrophobicContact CD2-CG 3.76Å; Q140-M144 WeakPolarHBondContact O-CB 3.13Å; Q140-M144 PolarHBondContact O-N 3Å; G141-M144 PolarHBondContact O-N 3.2Å; M144-T146 VanDerWaalsContact C-N 3.32Å; M144-T146 PolarHBondContact O-N 3.27Å; M144-K147 HydrophobicContact CE-CD 3.93Å; M144-K147 WeakPolarHBondContact O-CB 3.38Å; M144-K147 PolarHBondContact O-N 2.92Å; M144-H148 PolarHBondContact O-CD2 3.49Å; M144-H148 PolarHBondContact O-N 2.75Å
145A98.5Very high98.5Very high3 Ų364.1 Ų64.13%0.02531%0.307CS..Hα-helixtrans-63.1-39177.900000112.3L123 G141 R142 E143 H148 N149 I150 Y152L123-A145 HydrophobicContact CB-CB 4.34Å; L123-A145 HydrophobicContact CD2-CB 4Å; G141-A145 PolarHBondContact O-N 3.42Å; R142-A145 PolarHBondContact O-N 3.48Å; E143-A145 PolarHBondContact O-N 2.7Å; A145-H148 CarbonylContact O-C 3.53Å; A145-H148 PolarHBondContact O-N 3.26Å; A145-N149 PolarHBondContact O-N 3.44Å; A145-I150 HydrophobicContact CB-CG1 4.4Å; A145-I150 WeakPolarHBondContact CB-O 3.36Å; A145-I150 PolarHBondContact O-N 3.44Å; A145-Y152 HydrophobicContact CB-CD2 4.47Å; A145-Y152 HydrophobicContact CB-CG 4.44Å
146T98.5Very high98.5Very high109 Ų10957.8 Ų57.867%0.66928%0.28SS*.Hα-helixtrans-65.2-43.8176.1-55.80000111.3R142 E143 M144 H148 N149R142-T146 WeakPolarHBondContact O-CB 3.49Å; R142-T146 PolarHBondContact O-N 3.03Å; R142-T146 PolarHBondContact O-OG1 3.32Å; E143-T146 PolarHBondContact O-N 2.88Å; M144-T146 VanDerWaalsContact C-N 3.32Å; M144-T146 PolarHBondContact O-N 3.27Å; T146-H148 PolarHBondContact O-N 3.44Å; T146-N149 PolarHBondContact O-N 2.96Å
147K98.2Very high98.5Very high133 Ų13357.9 Ų57.958%0.57828%0.281SS*.Hα-helixtrans-54.2-40.4174.7-179.2-162175.6-1630111.7D104 E143 M144D104-K147 IonicContact OD1-NZ 2.67Å; D104-K147 PolarHBondContact OD1-NZ 3.37Å; E143-K147 WeakPolarHBondContact O-CB 3.49Å; E143-K147 PolarHBondContact O-N 2.99Å; M144-K147 HydrophobicContact CE-CD 3.93Å; M144-K147 WeakPolarHBondContact O-CB 3.38Å; M144-K147 PolarHBondContact O-N 2.92Å
148H97.9Very high98.4Very high23 Ų2359.8 Ų59.811%0.10628%0.284CS..Hα-helixtrans-92.3-2.1-179.5-67.5-62.1000114.1D104 H107 M144 A145 T146 I150D104-H148 IonicContact OD1-CE1 3.83Å; D104-H148 PolarHBondContact OD1-CE1 3.27Å; D104-H148 VanDerWaalsContact OD1-CE1 3.22Å; D104-H148 IonicContact OD1-NE2 3.52Å; D104-H148 PolarHBondContact OD1-NE2 3.07Å; H107-H148 AromaticContact CD2-CG 3.71Å; H107-H148 AromaticContact CD2-ND1 3.57Å; H107-H148 AromaticContact CE1-ND1 3.26Å; H107-H148 PolarHBondContact CE1-ND1 2.86Å; H107-H148 VanDerWaalsContact CE1-ND1 3.26Å; H107-H148 AromaticContact CG-CE1 3.81Å; H107-H148 AromaticContact CG-CG 3.92Å; H107-H148 AromaticContact CG-ND1 3.43Å; H107-H148 AromaticContact ND1-CE1 3.64Å; H107-H148 AromaticContact ND1-ND1 3.24Å; H107-H148 PolarHBondContact ND1-ND1 3.07Å; H107-H148 AromaticContact NE2-CG 3.8Å; H107-H148 AromaticContact NE2-ND1 3.47Å; H107-H148 PolarHBondContact NE2-ND1 3.33Å; M144-H148 PolarHBondContact O-CD2 3.49Å; M144-H148 PolarHBondContact O-N 2.75Å; A145-H148 CarbonylContact O-C 3.53Å; A145-H148 PolarHBondContact O-N 3.26Å; T146-H148 PolarHBondContact O-N 3.44Å; H148-I150 VanDerWaalsContact C-N 3.31Å; H148-I150 HydrophobicContact CB-CD1 4.11Å; H148-I150 HydrophobicContact CB-CG1 4Å; H148-I150 PolarHBondContact O-N 3.2Å
149N97.4Very high98.2Very high149 Ų14958.9 Ų58.980%0.79729%0.287SS*.THydrogen-bonded Turntrans52.844.5-175.1-16742.3000113.5A145 T146A145-N149 PolarHBondContact O-N 3.44Å; T146-N149 PolarHBondContact O-N 2.96Å
150I98.4Very high98.1Very high20 Ų2059.6 Ų59.610%0.10330%0.301CS..  trans-123.8156.317862178.8000110.9M121 L123 A145 H148M121-I150 HydrophobicContact CB-CD1 4.49Å; M121-I150 HydrophobicContact CB-CG2 4.03Å; M121-I150 HydrophobicContact CE-CG2 4.31Å; L123-I150 HydrophobicContact CB-CD1 3.91Å; L123-I150 HydrophobicContact CB-CG1 4.33Å; A145-I150 HydrophobicContact CB-CG1 4.4Å; A145-I150 WeakPolarHBondContact CB-O 3.36Å; A145-I150 PolarHBondContact O-N 3.44Å; H148-I150 VanDerWaalsContact C-N 3.31Å; H148-I150 HydrophobicContact CB-CD1 4.11Å; H148-I150 HydrophobicContact CB-CG1 4Å; H148-I150 PolarHBondContact O-N 3.2Å
151P98.7Very high98Very high57 Ų5759.1 Ų59.137%0.3731%0.305SS..  trans-64.4152174.5-21.734.2000112.9M121 I122 L123 V174M121-P151 WeakPolarHBondContact O-CD 3.42Å; I122-P151 HydrophobicContact CD1-CB 4.36Å; I122-P151 HydrophobicContact CG1-CB 4.08Å; I122-P151 HydrophobicContact CG1-CG 4.09Å; I122-P151 HydrophobicContact CG2-CB 4.49Å; L123-P151 PolarHBondContact N-O 3.12Å; P151-V174 HydrophobicContact CG-CG2 3.88Å
152Y98.8Very high98Very high45 Ų4562.8 Ų62.818%0.17632%0.323CS..EExtended strand (participates in β ladder)trans-117.4134.4175.2175.4-106.2000111Y92 L123 A125 R138 R142 A145 E154Y92-Y152 HydrophobicContact CE1-CE2 4.45Å; L123-Y152 HydrophobicContact CB-CD2 4.49Å; L123-Y152 HydrophobicContact CD2-CD2 4.13Å; L123-Y152 HydrophobicContact CG-CD2 4.23Å; L123-Y152 WeakPolarHBondContact O-CA 3.39Å; A125-Y152 HydrophobicContact CB-CE2 3.67Å; A125-Y152 WeakPolarHBondContact CB-OH 3.42Å; R138-Y152 HydrophobicContact CG-CE1 3.99Å; R142-Y152 HydrophobicContact CG-CD1 3.56Å; R142-Y152 HydrophobicContact CG-CE1 3.89Å; R142-Y152 HydrophobicContact CG-CG 4.15Å; A145-Y152 HydrophobicContact CB-CD2 4.47Å; A145-Y152 HydrophobicContact CB-CG 4.44Å; Y152-E154 HydrophobicContact CE1-CG 3.77Å; Y152-E154 WeakPolarHBondContact OH-CG 3.29Å; Y152-E154 PolarHBondContact OH-OE1 3.24Å
153I98.9Very high98Very high9 Ų960 Ų605%0.04632%0.318CS..EExtended strand (participates in β ladder)trans-140.2134.4174.3-164.3167.1000111.8I122 L123 V124 A125 T155 N163 K166 A167I122-I153 HydrophobicContact CG2-CG2 3.75Å; L123-I153 PolarHBondContact O-N 3.2Å; V124-I153 WeakPolarHBondContact CA-O 3.27Å; V124-I153 HydrophobicContact CB-CG2 4.41Å; V124-I153 HydrophobicContact CG1-CG2 4.38Å; V124-I153 HydrophobicContact CG2-CG2 3.94Å; A125-I153 PolarHBondContact N-O 3.47Å; I153-T155 HydrophobicContact CG1-CG2 4.45Å; I153-T155 HydrophobicContact CG2-CG2 4.27Å; I153-N163 HydrophobicContact CD1-CB 3.86Å; I153-N163 HydrophobicContact CG1-CB 4Å; I153-K166 HydrophobicContact CD1-CB 4.01Å; I153-K166 HydrophobicContact CD1-CD 3.99Å; I153-K166 HydrophobicContact CD1-CG 3.8Å; I153-A167 HydrophobicContact CD1-CB 4.16Å; I153-A167 HydrophobicContact CG2-CB 3.97Å
154E98.9Very high98Very high31 Ų3154 Ų5415%0.14529%0.29CS..EExtended strand (participates in β ladder)trans-90.5134.6170.7-75.8-175.2134.400109.9A125 V128 R134 R138 Y152 N163A125-E154 HydrophobicContact CB-CG 3.97Å; A125-E154 CarbonylContact O-C 3.53Å; A125-E154 WeakPolarHBondContact O-CA 3.39Å; V128-E154 HydrophobicContact CG1-CB 3.81Å; V128-E154 HydrophobicContact CG1-CG 3.88Å; V128-E154 HydrophobicContact CG2-CB 4.33Å; R134-E154 IonicContact CZ-OE1 3.82Å; R134-E154 VanDerWaalsContact CZ-OE1 3.29Å; R134-E154 IonicContact NH1-OE1 2.67Å; R134-E154 PolarHBondContact NH1-OE1 3.33Å; R134-E154 IonicContact NH2-OE1 2.74Å; R134-E154 PolarHBondContact NH2-OE1 3.26Å; R138-E154 IonicContact NE-OE2 2.65Å; Y152-E154 HydrophobicContact CE1-CG 3.77Å; Y152-E154 WeakPolarHBondContact OH-CG 3.29Å; Y152-E154 PolarHBondContact OH-OE1 3.24Å; E154-N163 VanDerWaalsContact O-CB 3.26Å; E154-N163 WeakPolarHBondContact O-CB 3.15Å; E154-N163 PolarHBondContact O-ND2 2.95Å
155T98.9Very high98Very high0 Ų055.3 Ų55.30%030%0.297CS..  trans-135.6155.1-175.257.70000111.9V124 A125 N126 K127 V128 I153 L162 N163 A167V124-T155 HydrophobicContact CG1-CG2 3.74Å; V124-T155 WeakPolarHBondContact CG1-OG1 3.28Å; A125-T155 PolarHBondContact O-N 2.71Å; A125-T155 PolarHBondContact O-OG1 3.44Å; N126-T155 CarbonylContact C-O 2.99Å; N126-T155 WeakPolarHBondContact CA-O 3.5Å; N126-T155 WeakPolarHBondContact CA-OG1 3.5Å; N126-T155 PolarHBondContact OD1-O 2.84Å; N126-T155 PolarHBondContact OD1-OG1 3.34Å; K127-T155 PolarHBondContact N-O 3.02Å; K127-T155 VanDerWaalsContact N-O 3.1Å; V128-T155 WeakPolarHBondContact CG2-O 3.28Å; V128-T155 PolarHBondContact N-O 2.94Å; I153-T155 HydrophobicContact CG1-CG2 4.45Å; I153-T155 HydrophobicContact CG2-CG2 4.27Å; T155-L162 VanDerWaalsContact CA-O 3.24Å; T155-L162 WeakPolarHBondContact CA-O 3.39Å; T155-N163 HydrophobicContact CG2-CB 4.04Å; T155-A167 HydrophobicContact CG2-CB 4.2Å
156S98.4Very high98Very high4 Ų459.8 Ų59.83%0.02832%0.316CS..BIsolated β-bridgetrans-137.1126.8162-179.20000108.3D129 K158 P161 L162 V164D129-S156 VanDerWaalsContact OD1-CB 3.3Å; D129-S156 WeakPolarHBondContact OD1-CB 3.27Å; D129-S156 PolarHBondContact OD1-OG 3.2Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact OG-N 3.17Å; S156-P161 WeakPolarHBondContact O-CA 3.26Å; S156-L162 PolarHBondContact N-O 2.82Å; S156-L162 PolarHBondContact O-N 2.99Å; S156-V164 WeakPolarHBondContact O-CG2 3.48Å
157A97.3Very high98Very high3 Ų354.8 Ų54.83%0.02529%0.286CS..  trans-77-19.4171.300000112.5A28 L29 Q32 F38A28-A157 HydrophobicContact CB-CB 3.72Å; L29-A157 HydrophobicContact CD2-CB 4.04Å; L29-A157 HydrophobicContact CG-CB 4.35Å; Q32-A157 HydrophobicContact CB-CB 4.49Å; Q32-A157 PolarHBondContact NE2-O 3.34Å; F38-A157 HydrophobicContact CD2-CB 4.16Å; F38-A157 WeakPolarHBondContact CD2-O 3.36Å; F38-A157 HydrophobicContact CE2-CB 4.33Å
158K96.6Very high98Very high102 Ų10248.5 Ų48.544%0.44326%0.259SS..SBendtrans-69.5144.2-177.8-173.9179.2179.3-179.70110.3F38 D129 S156 P160 P161F38-K158 HydrophobicContact CD1-CG 4.36Å; F38-K158 HydrophobicContact CE1-CG 4.27Å; F38-K158 HydrophobicContact CE2-CB 4.45Å; F38-K158 HydrophobicContact CZ-CB 4.44Å; D129-K158 WeakPolarHBondContact OD2-CD 3.26Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact OG-N 3.17Å; K158-P160 CarbonylContact O-C 3.55Å; K158-P161 VanDerWaalsContact O-CA 3.27Å; K158-P161 WeakPolarHBondContact O-CA 3.24Å
159D94.1Very high98Very high88 Ų8849 Ų4947%0.47126%0.261SS..SBendtrans-72.2134.5177.8-64.5-46.8000112.4Q32 F38Q32-D159 PolarHBondContact NE2-OD1 2.99Å; F38-D159 WeakPolarHBondContact CB-OD2 3.31Å
160P96.7Very high98.1Very high121 Ų12143.3 Ų43.379%0.78623%0.231SC*.SBendcis-73.2133.4-7.230.5-33.8000112.1K158K158-P160 CarbonylContact O-C 3.55Å
161P97.6Very high98.1Very high63 Ų6342.3 Ų42.341%0.40923%0.226SC..PPolyproline II helixtrans-68.5145.6-17327.6-34.4000112.1Q32 S156 K158 V164Q32-P161 HydrophobicContact CG-CB 3.79Å; Q32-P161 HydrophobicContact CG-CG 4.28Å; S156-P161 WeakPolarHBondContact O-CA 3.26Å; K158-P161 VanDerWaalsContact O-CA 3.27Å; K158-P161 WeakPolarHBondContact O-CA 3.24Å; P161-V164 HydrophobicContact CB-CG2 3.91Å
162L98.6Very high98Very high76 Ų7639.6 Ų39.640%0.39821%0.208SC..BIsolated β-bridgetrans-112.7123176.3-179.867.6000110.2V128 T155 S156 V164V128-L162 HydrophobicContact CG2-CD2 3.62Å; T155-L162 VanDerWaalsContact CA-O 3.24Å; T155-L162 WeakPolarHBondContact CA-O 3.39Å; S156-L162 PolarHBondContact N-O 2.82Å; S156-L162 PolarHBondContact O-N 2.99Å; L162-V164 PolarHBondContact O-N 3.31Å
163N98.6Very high98Very high62 Ų6240.9 Ų40.933%0.33221%0.212SC..SBendtrans57.411.6169.7-69.3-34.8000117.1I153 E154 T155 K166 A167I153-N163 HydrophobicContact CD1-CB 3.86Å; I153-N163 HydrophobicContact CG1-CB 4Å; E154-N163 VanDerWaalsContact O-CB 3.26Å; E154-N163 WeakPolarHBondContact O-CB 3.15Å; E154-N163 PolarHBondContact O-ND2 2.95Å; T155-N163 HydrophobicContact CG2-CB 4.04Å; N163-K166 HydrophobicContact CB-CB 4.36Å; N163-K166 WeakPolarHBondContact O-CB 3.3Å; N163-K166 PolarHBondContact O-N 3Å; N163-A167 PolarHBondContact O-N 3.28Å
164V98.3Very high97.9Very high5 Ų541.5 Ų41.53%0.0322%0.217CC..Hα-helixtrans-56.9-58.9-179179.80000111.1L29 Q32 F33 S156 P161 L162 K166 A167 F168L29-V164 HydrophobicContact CD2-CG1 4.42Å; L29-V164 HydrophobicContact CD2-CG2 3.82Å; L29-V164 WeakPolarHBondContact O-CG1 3.41Å; Q32-V164 HydrophobicContact CB-CG1 4.21Å; Q32-V164 HydrophobicContact CG-CB 4.34Å; Q32-V164 HydrophobicContact CG-CG1 4.13Å; Q32-V164 HydrophobicContact CG-CG2 3.96Å; F33-V164 HydrophobicContact CB-CG1 3.87Å; S156-V164 WeakPolarHBondContact O-CG2 3.48Å; P161-V164 HydrophobicContact CB-CG2 3.91Å; L162-V164 PolarHBondContact O-N 3.31Å; V164-K166 PolarHBondContact O-N 2.94Å; V164-A167 PolarHBondContact O-N 3.43Å; V164-A167 VanDerWaalsContact O-N 3.14Å; V164-F168 HydrophobicContact CG1-CE2 4.27Å; V164-F168 WeakPolarHBondContact O-CD2 3.37Å; V164-F168 PolarHBondContact O-N 3.26Å
165D97.8Very high97.9Very high58 Ų5840.3 Ų40.331%0.3121%0.211SC..Hα-helixtrans-59-38.5177.4-7116.3000112.3F33 K36 A167 F168 H169F33-D165 HydrophobicContact CD2-CB 4.37Å; F33-D165 WeakPolarHBondContact CD2-OD1 3.34Å; F33-D165 HydrophobicContact CE2-CB 4.36Å; K36-D165 IonicContact NZ-OD1 2.7Å; K36-D165 PolarHBondContact NZ-OD1 3.31Å; K36-D165 IonicContact NZ-OD2 3.44Å; K36-D165 PolarHBondContact NZ-OD2 3.38Å; D165-A167 VanDerWaalsContact C-N 3.32Å; D165-A167 PolarHBondContact O-N 3.1Å; D165-F168 PolarHBondContact O-N 3.12Å; D165-H169 WeakPolarHBondContact O-CB 3.4Å; D165-H169 PolarHBondContact O-CD2 3.36Å; D165-H169 PolarHBondContact O-N 3.47Å
166K98.4Very high97.7Very high97 Ų9742.4 Ų42.442%0.42222%0.219SC..Hα-helixtrans-62.1-39.5179.6-171.9177.7-176.3-62.30111.4I153 N163 V164 H169 D170I153-K166 HydrophobicContact CD1-CB 4.01Å; I153-K166 HydrophobicContact CD1-CD 3.99Å; I153-K166 HydrophobicContact CD1-CG 3.8Å; N163-K166 HydrophobicContact CB-CB 4.36Å; N163-K166 WeakPolarHBondContact O-CB 3.3Å; N163-K166 PolarHBondContact O-N 3Å; V164-K166 PolarHBondContact O-N 2.94Å; K166-H169 PolarHBondContact O-N 2.9Å; K166-D170 IonicContact NZ-OD1 2.97Å; K166-D170 IonicContact NZ-OD2 3.29Å; K166-D170 PolarHBondContact NZ-OD2 3.3Å; K166-D170 WeakPolarHBondContact O-CB 3.46Å; K166-D170 PolarHBondContact O-N 2.83Å
167A98.7Very high97.4Very high4 Ų449.7 Ų49.73%0.03325%0.253CS..Hα-helixtrans-62.8-48.3179.400000112L89 I153 T155 N163 V164 D165 L171L89-A167 HydrophobicContact CD2-CB 4.45Å; I153-A167 HydrophobicContact CD1-CB 4.16Å; I153-A167 HydrophobicContact CG2-CB 3.97Å; T155-A167 HydrophobicContact CG2-CB 4.2Å; N163-A167 PolarHBondContact O-N 3.28Å; V164-A167 PolarHBondContact O-N 3.43Å; V164-A167 VanDerWaalsContact O-N 3.14Å; D165-A167 VanDerWaalsContact C-N 3.32Å; D165-A167 PolarHBondContact O-N 3.1Å; A167-L171 PolarHBondContact O-N 3.35Å; A167-L171 VanDerWaalsContact O-N 3.12Å
168F98.5Very high96.7Very high2 Ų253.8 Ų53.81%0.00927%0.271CS..Hα-helixtrans-65.9-42177.3-71.7-85.7000112L16 V18 F33 V65 L89 V164 D165 L171 V172L16-F168 HydrophobicContact CD1-CD1 4.1Å; V18-F168 HydrophobicContact CG2-CE1 4.08Å; V18-F168 HydrophobicContact CG2-CZ 4.26Å; F33-F168 HydrophobicContact CB-CD2 3.77Å; F33-F168 HydrophobicContact CB-CE2 3.6Å; F33-F168 HydrophobicContact CB-CZ 4.26Å; F33-F168 HydrophobicContact CD1-CB 4.4Å; F33-F168 HydrophobicContact CD1-CD1 4.14Å; F33-F168 AromaticContact CD1-CD2 3.94Å; F33-F168 HydrophobicContact CD1-CD2 3.94Å; F33-F168 HydrophobicContact CD1-CE1 4.42Å; F33-F168 HydrophobicContact CD1-CE2 4.24Å; F33-F168 AromaticContact CD1-CG 3.89Å; F33-F168 HydrophobicContact CD1-CG 3.89Å; F33-F168 HydrophobicContact CD1-CZ 4.47Å; F33-F168 HydrophobicContact CD2-CB 4.15Å; F33-F168 AromaticContact CD2-CD2 3.71Å; F33-F168 HydrophobicContact CD2-CD2 3.71Å; F33-F168 HydrophobicContact CD2-CE2 4.43Å; F33-F168 HydrophobicContact CD2-CG 4.09Å; F33-F168 HydrophobicContact CE1-CB 4.1Å; F33-F168 HydrophobicContact CE1-CD1 4.29Å; F33-F168 HydrophobicContact CE1-CD2 4.48Å; F33-F168 HydrophobicContact CE1-CG 4.05Å; F33-F168 HydrophobicContact CE2-CB 3.85Å; F33-F168 HydrophobicContact CE2-CD2 4.29Å; F33-F168 HydrophobicContact CE2-CG 4.24Å; F33-F168 HydrophobicContact CG-CB 4.43Å; F33-F168 AromaticContact CG-CD2 3.52Å; F33-F168 HydrophobicContact CG-CD2 3.52Å; F33-F168 AromaticContact CG-CE2 3.85Å; F33-F168 HydrophobicContact CG-CE2 3.85Å; F33-F168 AromaticContact CG-CG 3.92Å; F33-F168 HydrophobicContact CG-CG 3.92Å; F33-F168 HydrophobicContact CG-CZ 4.48Å; F33-F168 HydrophobicContact CZ-CB 3.82Å; F33-F168 HydrophobicContact CZ-CG 4.22Å; V65-F168 HydrophobicContact CG1-CE1 3.72Å; V65-F168 HydrophobicContact CG2-CD1 4.33Å; V65-F168 HydrophobicContact CG2-CE1 4.29Å; L89-F168 HydrophobicContact CD1-CD1 3.63Å; L89-F168 HydrophobicContact CD1-CD2 4.35Å; L89-F168 HydrophobicContact CD1-CE1 3.39Å; L89-F168 HydrophobicContact CD1-CE2 4.15Å; L89-F168 HydrophobicContact CD1-CG 4.11Å; L89-F168 HydrophobicContact CD1-CZ 3.68Å; V164-F168 HydrophobicContact CG1-CE2 4.27Å; V164-F168 WeakPolarHBondContact O-CD2 3.37Å; V164-F168 PolarHBondContact O-N 3.26Å; D165-F168 PolarHBondContact O-N 3.12Å; F168-L171 PolarHBondContact O-N 3.11Å; F168-V172 PolarHBondContact O-N 2.82Å
169H98.4Very high95.5Very high33 Ų3352.8 Ų52.815%0.15327%0.27CS..Hα-helixtrans-67.7-40.2178.1-65.2173.5000112.4F33 I56 D165 K166 L171 V172 R173F33-H169 AromaticContact CE2-NE2 3.79Å; I56-H169 HydrophobicContact CG2-CB 4.1Å; D165-H169 WeakPolarHBondContact O-CB 3.4Å; D165-H169 PolarHBondContact O-CD2 3.36Å; D165-H169 PolarHBondContact O-N 3.47Å; K166-H169 PolarHBondContact O-N 2.9Å; H169-L171 VanDerWaalsContact C-N 3.29Å; H169-L171 PolarHBondContact O-N 3.29Å; H169-V172 WeakPolarHBondContact O-CB 3.49Å; H169-V172 PolarHBondContact O-N 3.29Å; H169-R173 WeakPolarHBondContact O-CG 3.41Å; H169-R173 PolarHBondContact O-N 3.24Å
170D98.6Very high93.7Very high29 Ų2952.7 Ų52.716%0.15527%0.274CS..Hα-helixtrans-62.2-38.2175.8-76.5-12.8000111.2I122 K166 V172 R173 V174I122-D170 VanDerWaalsContact CD1-C 3.43Å; I122-D170 HydrophobicContact CD1-CB 3.44Å; I122-D170 VanDerWaalsContact CD1-CB 3.44Å; K166-D170 IonicContact NZ-OD1 2.97Å; K166-D170 IonicContact NZ-OD2 3.29Å; K166-D170 PolarHBondContact NZ-OD2 3.3Å; K166-D170 WeakPolarHBondContact O-CB 3.46Å; K166-D170 PolarHBondContact O-N 2.83Å; D170-V172 VanDerWaalsContact C-N 3.32Å; D170-V172 PolarHBondContact O-N 3.14Å; D170-R173 WeakPolarHBondContact O-CA 3.43Å; D170-R173 WeakPolarHBondContact O-CB 3.26Å; D170-R173 PolarHBondContact O-N 2.76Å; D170-R173 VanDerWaalsContact O-N 3.09Å; D170-R173 IonicContact OD1-CZ 3.73Å; D170-R173 IonicContact OD1-NH1 2.73Å; D170-R173 PolarHBondContact OD1-NH1 3.43Å; D170-V174 WeakPolarHBondContact O-CG2 3.43Å; D170-V174 PolarHBondContact O-N 3.22Å
171L98.6Very high91.6Very high0 Ų054.3 Ų54.30%027%0.271CS..Hα-helixtrans-62.9-41.8176.618058.8000111L16 L89 P120 I122 A167 F168 H169 R173 V174 I175L16-L171 HydrophobicContact CB-CD2 4.21Å; L16-L171 HydrophobicContact CD1-CD2 4.4Å; L16-L171 HydrophobicContact CD2-CD2 3.87Å; L16-L171 HydrophobicContact CD2-CG 4.13Å; L16-L171 HydrophobicContact CG-CD2 4.38Å; L89-L171 HydrophobicContact CD2-CB 4.21Å; L89-L171 HydrophobicContact CD2-CD2 4Å; L89-L171 HydrophobicContact CG-CD2 3.82Å; P120-L171 HydrophobicContact CB-CD1 4.38Å; I122-L171 HydrophobicContact CD1-CB 4Å; I122-L171 HydrophobicContact CG1-CB 4.41Å; I122-L171 HydrophobicContact CG1-CD1 4.28Å; A167-L171 PolarHBondContact O-N 3.35Å; A167-L171 VanDerWaalsContact O-N 3.12Å; F168-L171 PolarHBondContact O-N 3.11Å; H169-L171 VanDerWaalsContact C-N 3.29Å; H169-L171 PolarHBondContact O-N 3.29Å; L171-R173 VanDerWaalsContact C-N 3.28Å; L171-R173 PolarHBondContact O-N 3.06Å; L171-V174 WeakPolarHBondContact O-CB 3.25Å; L171-V174 PolarHBondContact O-N 2.74Å; L171-I175 HydrophobicContact CG-CD1 4.3Å; L171-I175 WeakPolarHBondContact O-CG1 3.45Å; L171-I175 PolarHBondContact O-N 3.2Å
172V98.2Very high89.1Confident0 Ų059.7 Ų59.70%029%0.288CS..Hα-helixtrans-60.6-38.7173.2174.10000111.5Y14 L16 I56 L63 F168 H169 D170 I175 R176Y14-V172 HydrophobicContact CD2-CG1 3.76Å; Y14-V172 HydrophobicContact CD2-CG2 4.13Å; Y14-V172 HydrophobicContact CE2-CG1 3.55Å; Y14-V172 HydrophobicContact CG-CG1 4.49Å; L16-V172 HydrophobicContact CD1-CG2 4.18Å; L16-V172 HydrophobicContact CD2-CG2 4.46Å; I56-V172 HydrophobicContact CD1-CB 3.86Å; I56-V172 HydrophobicContact CD1-CG1 3.84Å; I56-V172 HydrophobicContact CD1-CG2 3.74Å; L63-V172 HydrophobicContact CD2-CG2 3.59Å; F168-V172 PolarHBondContact O-N 2.82Å; H169-V172 WeakPolarHBondContact O-CB 3.49Å; H169-V172 PolarHBondContact O-N 3.29Å; D170-V172 VanDerWaalsContact C-N 3.32Å; D170-V172 PolarHBondContact O-N 3.14Å; V172-I175 PolarHBondContact O-N 3Å; V172-R176 HydrophobicContact CG1-CG 4.41Å; V172-R176 WeakPolarHBondContact O-CB 3.32Å; V172-R176 VanDerWaalsContact O-CG 3.3Å; V172-R176 WeakPolarHBondContact O-CG 3.47Å; V172-R176 PolarHBondContact O-N 3.31Å
173R97.9Very high86.7Confident71 Ų7159.5 Ų59.527%0.26829%0.293SS..Hα-helixtrans-62.2-43.2174.4-66.5171.6-176116.14.7111.7D57 H169 D170 L171 R176 Q177D57-R173 IonicContact OD1-CZ 3.5Å; D57-R173 IonicContact OD1-NE 3.39Å; D57-R173 PolarHBondContact OD1-NE 3.28Å; D57-R173 IonicContact OD1-NH2 2.74Å; D57-R173 PolarHBondContact OD1-NH2 3.42Å; D57-R173 WeakPolarHBondContact OD2-CG 3.07Å; D57-R173 IonicContact OD2-CZ 3.61Å; D57-R173 IonicContact OD2-NE 2.78Å; D57-R173 PolarHBondContact OD2-NE 3.01Å; D57-R173 IonicContact OD2-NH2 3.58Å; H169-R173 WeakPolarHBondContact O-CG 3.41Å; H169-R173 PolarHBondContact O-N 3.24Å; D170-R173 WeakPolarHBondContact O-CA 3.43Å; D170-R173 WeakPolarHBondContact O-CB 3.26Å; D170-R173 PolarHBondContact O-N 2.76Å; D170-R173 VanDerWaalsContact O-N 3.09Å; D170-R173 IonicContact OD1-CZ 3.73Å; D170-R173 IonicContact OD1-NH1 2.73Å; D170-R173 PolarHBondContact OD1-NH1 3.43Å; L171-R173 VanDerWaalsContact C-N 3.28Å; L171-R173 PolarHBondContact O-N 3.06Å; R173-R176 PolarHBondContact O-N 3.2Å; R173-Q177 VanDerWaalsContact O-CG 3.31Å; R173-Q177 WeakPolarHBondContact O-CG 3.26Å; R173-Q177 PolarHBondContact O-N 2.94Å; R173-Q177 VanDerWaalsContact O-N 3.09Å
174V97.8Very high84.3Confident22 Ų2263.4 Ų63.413%0.13331%0.309CS..Hα-helixtrans-61.2-45.3175.6178.30000110.7P120 I122 P151 D170 L171 R176 Q177 Q178P120-V174 HydrophobicContact CB-CG1 3.88Å; I122-V174 HydrophobicContact CD1-CG2 4.29Å; I122-V174 HydrophobicContact CG1-CG2 4.32Å; P151-V174 HydrophobicContact CG-CG2 3.88Å; D170-V174 WeakPolarHBondContact O-CG2 3.43Å; D170-V174 PolarHBondContact O-N 3.22Å; L171-V174 WeakPolarHBondContact O-CB 3.25Å; L171-V174 PolarHBondContact O-N 2.74Å; V174-R176 VanDerWaalsContact C-N 3.35Å; V174-R176 PolarHBondContact O-N 2.74Å; V174-Q177 PolarHBondContact O-N 3.08Å; V174-Q178 PolarHBondContact O-N 3.41Å
175I97.2Very high81.6Confident7 Ų770.4 Ų70.44%0.03634%0.34CS..Hα-helixtrans-58.8-47.2176.7-65.4166.4000110.6Y14 L16 D86 P120 L171 V172 Q177 Q178 I179Y14-I175 HydrophobicContact CD1-CD1 4.46Å; Y14-I175 HydrophobicContact CD1-CG2 3.8Å; Y14-I175 HydrophobicContact CE1-CG2 3.85Å; L16-I175 HydrophobicContact CD2-CD1 3.5Å; L16-I175 VanDerWaalsContact CD2-CD1 3.5Å; D86-I175 HydrophobicContact CB-CD1 4.02Å; D86-I175 WeakPolarHBondContact O-CG1 3.36Å; P120-I175 HydrophobicContact CB-CB 4.49Å; P120-I175 HydrophobicContact CB-CG1 3.58Å; P120-I175 HydrophobicContact CG-CG1 3.99Å; L171-I175 HydrophobicContact CG-CD1 4.3Å; L171-I175 WeakPolarHBondContact O-CG1 3.45Å; L171-I175 PolarHBondContact O-N 3.2Å; V172-I175 PolarHBondContact O-N 3Å; I175-Q177 VanDerWaalsContact C-N 3.27Å; I175-Q177 PolarHBondContact O-N 3.47Å; I175-Q178 PolarHBondContact O-N 3.44Å; I175-Q178 VanDerWaalsContact O-N 3.14Å; I175-I179 HydrophobicContact CG2-CD1 4.2Å; I175-I179 PolarHBondContact O-N 3.45Å
176R95.3Very high79Confident43 Ų4375.6 Ų75.616%0.16236%0.36CS..Hα-helixtrans-61.1-33.8-179.9-74.8172.4175.5177.3-1.5113Y14 I56 Q59 V172 R173 V174 Q178Y14-R176 WeakPolarHBondContact OH-CG 3.26Å; Y14-R176 PolarHBondContact OH-NE 3.42Å; Y14-R176 VanDerWaalsContact OH-NE 3.15Å; I56-R176 PolarHBondContact O-NH1 3.5Å; Q59-R176 PolarHBondContact O-NH2 3.46Å; Q59-R176 VanDerWaalsContact O-NH2 3.15Å; V172-R176 HydrophobicContact CG1-CG 4.41Å; V172-R176 WeakPolarHBondContact O-CB 3.32Å; V172-R176 VanDerWaalsContact O-CG 3.3Å; V172-R176 WeakPolarHBondContact O-CG 3.47Å; V172-R176 PolarHBondContact O-N 3.31Å; R173-R176 PolarHBondContact O-N 3.2Å; V174-R176 VanDerWaalsContact C-N 3.35Å; V174-R176 PolarHBondContact O-N 2.74Å; R176-Q178 VanDerWaalsContact C-N 3.32Å
177Q91.6Very high76.5Confident157 Ų15779.3 Ų79.373%0.73438%0.376SS*.Hα-helixtrans-70.5-27.2177.8-71.5168.86.400113.1R173 V174 I175R173-Q177 VanDerWaalsContact O-CG 3.31Å; R173-Q177 WeakPolarHBondContact O-CG 3.26Å; R173-Q177 PolarHBondContact O-N 2.94Å; R173-Q177 VanDerWaalsContact O-N 3.09Å; V174-Q177 PolarHBondContact O-N 3.08Å; I175-Q177 VanDerWaalsContact C-N 3.27Å; I175-Q177 PolarHBondContact O-N 3.47Å
178Q83.3Confident73.9Confident89 Ų8988 Ų8842%0.41641%0.412SS..Hα-helixtrans-86.7-14.8-180-67-164.16.600114.1P120 V174 I175 R176 P180P120-Q178 HydrophobicContact CG-CG 4.28Å; P120-Q178 VanDerWaalsContact CG-OE1 3.23Å; V174-Q178 PolarHBondContact O-N 3.41Å; I175-Q178 PolarHBondContact O-N 3.44Å; I175-Q178 VanDerWaalsContact O-N 3.14Å; R176-Q178 VanDerWaalsContact C-N 3.32Å; Q178-P180 WeakPolarHBondContact O-CD 3.18Å
179I71.6Confident71.1Confident82 Ų8296.6 Ų96.642%0.42145%0.45SS..SBendtrans-84.7104.8174.3-59.8169.7000107.8I175 E181I175-I179 HydrophobicContact CG2-CD1 4.2Å; I175-I179 PolarHBondContact O-N 3.45Å; I179-E181 PolarHBondContact O-N 3.2Å
180P56.4Low68.4Low85 Ų85101 Ų10155%0.55248%0.479SS*.  trans-59.9132.317521.8-31.2000110.1Q178 K182 S183Q178-P180 WeakPolarHBondContact O-CD 3.18Å; P180-K182 PolarHBondContact O-N 2.92Å; P180-S183 PolarHBondContact O-N 3.21Å
181E53.2Low65.9Low156 Ų156108.7 Ų108.773%0.72951%0.511SS*.THydrogen-bonded Turntrans-50.6-15.1179.6-68.6-171.9153.600114.6I179 S183 Q184I179-E181 PolarHBondContact O-N 3.2Å; E181-S183 PolarHBondContact O-N 3.36Å; E181-Q184 PolarHBondContact O-N 3.07Å
182K43.9Very low63.4Low176 Ų176120 Ų12077%0.76555%0.554SS**Hα-helixtrans-61.1-22.7-180-66.8-174.5179.6177.40113.8P180P180-K182 PolarHBondContact O-N 2.92Å
183S47.7Very low61Low72 Ų72131.4 Ų131.450%0.50360%0.597SS.*Hα-helixtrans-78.6-25-179.4-59.50000113.8P180 E181P180-S183 PolarHBondContact O-N 3.21Å; E181-S183 PolarHBondContact O-N 3.36Å
184Q48.6Very low58.3Low143 Ų143131.5 Ų131.567%0.66862%0.62SS**Hα-helixtrans-80.4-32.5179.6-67.6-176.2-5.400112.5E181 K186 K187E181-Q184 PolarHBondContact O-N 3.07Å; Q184-K186 VanDerWaalsContact C-N 3.35Å; Q184-K186 PolarHBondContact O-N 2.71Å; Q184-K187 PolarHBondContact O-N 2.7Å
185K43Very low55.6Low153 Ų153137.6 Ų137.667%0.66565%0.652SS**Hα-helixtrans-70.2-26.6176.3-73.3-178.7-179.7171.10113.4K189K185-K189 PolarHBondContact O-N 2.99Å
186K42.4Very low53.1Low167 Ų167149.5 Ų149.573%0.72670%0.697SS**Hα-helixtrans-68.8-37.9176-88.2-175.9176-179.30112.6Q184 K188 K189 T190Q184-K186 VanDerWaalsContact C-N 3.35Å; Q184-K186 PolarHBondContact O-N 2.71Å; K186-K188 PolarHBondContact O-N 3.46Å; K186-K189 PolarHBondContact O-N 3.04Å; K186-T190 PolarHBondContact O-N 3.04Å; K186-T190 PolarHBondContact O-OG1 3.36Å; K186-T190 VanDerWaalsContact O-OG1 3.07Å
187K44.9Very low50.5Low175 Ų175151.7 Ų151.776%0.76172%0.724SS**Hα-helixtrans-67.9-29.8177.5-75.4-174.8176.2179.30113.6Q184Q184-K187 PolarHBondContact O-N 2.7Å
188K44Very low48.2Very low185 Ų185151.2 Ų151.280%0.80473%0.732SS**Hα-helixtrans-76.4-27.7174.6-78.1-173175.6-179.90113.6K186K186-K188 PolarHBondContact O-N 3.46Å
189K40.3Very low45.8Very low184 Ų184150.8 Ų150.880%0.875%0.751SS**Hα-helixtrans-81.8-21.7-178.5-84.5-169.6173.4-174.20114.8K185 K186K185-K189 PolarHBondContact O-N 2.99Å; K186-K189 PolarHBondContact O-N 3.04Å
190T42.4Very low44.4Very low125 Ų125151.8 Ų151.877%0.76777%0.766SS**THydrogen-bonded Turntrans-83.6-3.9178.820.70000114.6K186K186-T190 PolarHBondContact O-N 3.04Å; K186-T190 PolarHBondContact O-OG1 3.36Å; K186-T190 VanDerWaalsContact O-OG1 3.07Å
191K46.5Very low43.5Very low191 Ų191156.2 Ų156.283%0.8378%0.779SS**THydrogen-bonded Turntrans-99.416.1-178.5-144.8179-178.6178.80115.1
192W45.8Very low43Very low238 Ų238158.4 Ų158.490%0.90279%0.786SS**  trans-140.777.3171.7-146.557.7000112.6
193R47.5Very low42.7Very low239 Ų239158.1 Ų158.190%0.90279%0.792SS**  trans-142.179.3149.1-83-167.4163.8-153-4.5106.8
194G41.1Very low42.2Very low73 Ų73163.4 Ų163.475%0.75381%0.809SS**  trans-73.1123166.600000108.8
195D42Very low41.5Very low150 Ų150162.6 Ų162.680%0.80282%0.817SS**  trans-56.2131.3-176.5-65.7-53.8000113.2A197D195-A197 PolarHBondContact O-N 3.4Å
196R44.3Very low41.6Very low256 Ų256161 Ų16197%0.96682%0.82SS**  trans-84.795.5151.3-74.9-174.5-161.7173.45.3106.8
197A40.1Very low41.5Very low90 Ų90160.4 Ų160.474%0.74482%0.823SS**  trans-111.5129.4165.200000109.4D195D195-A197 PolarHBondContact O-N 3.4Å
198T42.8Very low41.6Very low147 Ų147163.1 Ų163.190%0.90285%0.845SS**  trans-58.3142.5176.945.10000113.9
199G33.1Very low41.5Very low79 Ų79162.1 Ų162.181%0.81485%0.847SS**  trans-171.1118.8169.200000113.3
200S42.3Very low41.5Very low103 Ų103160.9 Ų160.972%0.7285%0.849SS**  trans-53.5147.9177.3179.40000114.3
201H37Very low41.5Very low179 Ų179162.9 Ų162.983%0.82985%0.854SS**  -177.2114.7123.6-89.8-62.8000110.7
202K43.4Very low41.2Very low201 Ų201161.2 Ų161.287%0.87486%0.855SS**  trans-65.9123.2163.6-97.3177.5172.31790108.7
203L38.3Very low40.9Very low171 Ų171156.4 Ų156.490%0.89585%0.852SS**  trans-122117.4155.5-78.6165.4000107.6
204Q36.8Very low40.4Very low183 Ų183150.9 Ų150.986%0.85585%0.849SS**  trans-93.7113.4-179.5-159.7170.8-500106.6
205C33.8Very low40.4Very low125 Ų125156.5 Ų156.585%0.84586%0.856SS**  trans-92.6115.3173.5-157.80000108
206V44.1Very low40.3Very low120 Ų120157 Ų15773%0.72786%0.86SS**  trans-90.2123.1170.1177.50000106.9
207I41.4Very low39.9Very low154 Ų154148.8 Ų148.879%0.7985%0.851SS**  trans-78125.9172.8-59.7172.2000107.7
208L46Very low39.9Very low233 Ų233154.1 Ų154.1100%1.2286%0.861SS**  trans-1220149.6-79.4175000107.5

Retrieved 208 of 208 residues in 1365.4 ms (Link to these results)

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