A0A087X9K6_POEFO Loading...

Deoxyribonuclease

AlphaFold DB , UniProt , Accession A0A087X9K6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 277 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.4Very low46.3Very low246 Ų246151.7 Ų151.7100%1.21285%0.85SS**  0103.40-74.8175.7-82.800108.2
2R37.1Very low46.5Very low245 Ų245144.2 Ų144.293%0.92583%0.832SS**  trans-104.8111.7172.9-77.5-175.7174.5-172.3-1.5106.9
3A41.5Very low46.6Very low100 Ų100144.9 Ų144.983%0.82683%0.83SS**  trans-81.1116.7172.900000108.4
4L44.4Very low46.3Very low166 Ų166146.3 Ų146.387%0.86983%0.832SS**  trans-78.6114.6163.5-88.596.9000107.8S6L4-S6 PolarHBondContact O-N 3.46Å
5C43.5Very low46.3Very low120 Ų120147.5 Ų147.581%0.81183%0.827SS**  trans-81.8106.1161.6-77.60000108.3V7C5-V7 PolarHBondContact O-N 3.4Å
6S49.2Very low46.5Very low119 Ų119148.7 Ų148.783%0.83283%0.83SS**  trans-76.5108.2166.424.50000109.1L4 G8L4-S6 PolarHBondContact O-N 3.46Å; S6-G8 PolarHBondContact O-N 3.49Å
7V50.1Low47Very low132 Ų132145 Ų14580%0.882%0.817SS**  trans-79.9107.5168.3177.80000107.5C5 L9C5-V7 PolarHBondContact O-N 3.4Å; V7-L9 PolarHBondContact O-N 3.39Å
8G53.5Low48.6Very low65 Ų65140.6 Ų140.667%0.6780%0.797SS**  trans-74.9118.617200000110.5S6 F10S6-G8 PolarHBondContact O-N 3.49Å; G8-F10 PolarHBondContact O-N 3.31Å
9L48Very low50.8Low151 Ų151135.3 Ų135.379%0.79177%0.77SS**  trans-80.2101174-147.686.9000108.6V7 V11V7-L9 PolarHBondContact O-N 3.39Å; L9-V11 HydrophobicContact CD2-CG2 4.12Å; L9-V11 PolarHBondContact O-N 3.14Å; L9-V11 VanDerWaalsContact O-N 3.15Å
10F52.4Low53Low209 Ų209128.7 Ų128.792%0.91773%0.732SS**  trans-7597.8167.7-94.9-89.7000108.6G8 G12G8-F10 PolarHBondContact O-N 3.31Å; F10-G12 PolarHBondContact O-N 3.15Å; F10-G12 VanDerWaalsContact O-N 3.14Å
11V50.2Low55.2Low116 Ų116123.6 Ų123.670%0.70370%0.702SS**  trans-77.194.2165.1-178.60000106.9L9 L13L9-V11 HydrophobicContact CD2-CG2 4.12Å; L9-V11 PolarHBondContact O-N 3.14Å; L9-V11 VanDerWaalsContact O-N 3.15Å; V11-L13 PolarHBondContact O-N 3.24Å
12G49Very low58Low61 Ų61111.9 Ų111.963%0.62965%0.645SS**  trans-65.8113.8166.300000108.8F10 L14F10-G12 PolarHBondContact O-N 3.15Å; F10-G12 VanDerWaalsContact O-N 3.14Å; G12-L14 VanDerWaalsContact C-N 3.3Å; G12-L14 PolarHBondContact O-N 2.93Å
13L47.2Very low60.9Low154 Ų154100.2 Ų100.281%0.80660%0.601SS**  trans-62.997.3162.3-83.6152.7000107V11 H15V11-L13 PolarHBondContact O-N 3.24Å; L13-H15 PolarHBondContact O-N 2.96Å
14L42.1Very low63.7Low164 Ų16495.4 Ų95.486%0.85956%0.561SS**  trans-63.193161.5-77.7161000106.2G12 L16G12-L14 VanDerWaalsContact C-N 3.3Å; G12-L14 PolarHBondContact O-N 2.93Å; L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 2.89Å
15H46.3Very low66.2Low164 Ų16487.5 Ų87.576%0.75952%0.52SS*.  trans-60.4105.2157-83.8-52.1000105.6L13 S17L13-H15 PolarHBondContact O-N 2.96Å; H15-S17 PolarHBondContact O-N 2.84Å
16L49.6Very low68.9Low167 Ų16781.8 Ų81.887%0.87448%0.481SS*.  trans-5699.7157.1-80.9119.3000105.3L14 S18L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 2.89Å; L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S18 PolarHBondContact O-N 3.04Å
17S55.8Low71.2Confident86 Ų8676.1 Ų76.160%0.60144%0.442SS*.  trans-64.998.3171.756.20000106.2H15 S19H15-S17 PolarHBondContact O-N 2.84Å; S17-S19 PolarHBondContact O-N 2.89Å
18S75.4Confident73.5Confident65 Ų6573.9 Ų73.946%0.45542%0.421SS..  trans-69.799.2175.3177.40000107.7L16L16-S18 VanDerWaalsContact C-N 3.3Å; L16-S18 PolarHBondContact O-N 3.04Å
19S90.2Very high75.5Confident41 Ų4173.8 Ų73.829%0.28741%0.407SS..  trans-76.6139.6177.163.10000111.2S17 L276S17-S19 PolarHBondContact O-N 2.89Å; S19-L276 CarbonylContact C-O 3.52Å; S19-L276 WeakPolarHBondContact CA-O 3.29Å; S19-L276 WeakPolarHBondContact CB-O 3.37Å
20L95.7Very high77.9Confident3 Ų366.6 Ų66.62%0.01637%0.37CS..EExtended strand (participates in β ladder)trans-87.3128.5173-175.4151.5000110.3L22 D52 V53 V107 T141 F146 K275 L276L20-L22 HydrophobicContact CD2-CB 4.22Å; L20-D52 WeakPolarHBondContact CA-OD2 3.12Å; L20-D52 HydrophobicContact CD1-CB 4.2Å; L20-D52 HydrophobicContact CD2-CB 3.99Å; L20-D52 HydrophobicContact CG-CB 3.57Å; L20-V53 HydrophobicContact CD2-CG2 4.37Å; L20-V107 HydrophobicContact CD1-CG1 3.26Å; L20-T141 HydrophobicContact CB-CG2 3.94Å; L20-T141 HydrophobicContact CD1-CG2 4.43Å; L20-F146 HydrophobicContact CD1-CE1 4.29Å; L20-F146 HydrophobicContact CD1-CZ 4.15Å; L20-F146 HydrophobicContact CD2-CZ 4.46Å; L20-K275 CarbonylContact O-C 3.58Å; L20-K275 VanDerWaalsContact O-CA 3.28Å; L20-K275 WeakPolarHBondContact O-CA 3.45Å; L20-L276 HydrophobicContact CB-CB 4.37Å; L20-L276 HydrophobicContact CD2-CD1 4.38Å; L20-L276 PolarHBondContact N-O 3.17Å; L20-L276 PolarHBondContact O-N 3.14Å
21L97.9Very high80.1Confident21 Ų2156.9 Ų56.911%0.1133%0.329CS..EExtended strand (participates in β ladder)trans-93.2114.5173.9-171.865.6000111.2R50 Y51 D52 V53 E273 K275L21-R50 HydrophobicContact CD2-CB 4.38Å; L21-R50 WeakPolarHBondContact CD2-O 3.35Å; L21-Y51 HydrophobicContact CD2-CD1 3.94Å; L21-Y51 HydrophobicContact CD2-CE1 4.04Å; L21-Y51 HydrophobicContact CG-CD1 3.84Å; L21-Y51 HydrophobicContact CG-CE1 4.16Å; L21-D52 PolarHBondContact N-OD2 2.74Å; L21-D52 PolarHBondContact O-N 2.75Å; L21-V53 PolarHBondContact O-N 3.32Å; L21-E273 HydrophobicContact CD1-CB 4.24Å; L21-E273 HydrophobicContact CD1-CG 4.48Å; L21-K275 HydrophobicContact CD1-CG 3.67Å
22L98.6Very high82.4Confident0 Ų054.7 Ų54.70%031%0.313CS..EExtended strand (participates in β ladder)trans-100.9140.1175.817564.9000109.9L20 V53 L148 V182 L184 E273 V274 L276L20-L22 HydrophobicContact CD2-CB 4.22Å; L22-V53 CarbonylContact C-O 3.52Å; L22-V53 WeakPolarHBondContact CA-O 3.39Å; L22-V53 HydrophobicContact CD1-CB 3.85Å; L22-V53 HydrophobicContact CD1-CG1 3.94Å; L22-L148 HydrophobicContact CD1-CD1 3.66Å; L22-L148 HydrophobicContact CD1-CD2 4.21Å; L22-L148 HydrophobicContact CD2-CD2 3.75Å; L22-V182 HydrophobicContact CD2-CB 4.49Å; L22-V182 HydrophobicContact CD2-CG1 3.94Å; L22-V182 HydrophobicContact CD2-CG2 4.43Å; L22-L184 HydrophobicContact CD1-CD1 3.91Å; L22-L184 HydrophobicContact CD2-CD1 4.08Å; L22-L184 HydrophobicContact CG-CD1 4Å; L22-E273 CarbonylContact O-C 3.57Å; L22-E273 WeakPolarHBondContact O-CA 3.39Å; L22-E273 WeakPolarHBondContact O-CB 3.35Å; L22-V274 HydrophobicContact CB-CG1 4.08Å; L22-V274 HydrophobicContact CD2-CG1 4.11Å; L22-V274 HydrophobicContact CG-CG1 4.39Å; L22-V274 PolarHBondContact N-O 3.48Å; L22-V274 PolarHBondContact O-N 3.4Å; L22-L276 HydrophobicContact CD2-CD1 4.5Å
23G98.8Very high84.7Confident0 Ų057.9 Ų57.90%032%0.321CS..EExtended strand (participates in β ladder)trans-138.5159.2173.900000114.2V53 V54 L55 V272G23-V53 PolarHBondContact N-O 3.36Å; G23-V54 CarbonylContact O-C 3.59Å; G23-V54 WeakPolarHBondContact O-CA 3.23Å; G23-L55 PolarHBondContact O-N 3.23Å; G23-V272 CarbonylContact C-O 3.53Å; G23-V272 VanDerWaalsContact CA-O 3.25Å; G23-V272 WeakPolarHBondContact CA-O 3.42Å
24A98.9Very high87.1Confident0 Ų051.5 Ų51.50%029%0.287CS..EExtended strand (participates in β ladder)trans-129135.4164.200000109.8L55 L184 P271 V272A24-L55 CarbonylContact C-O 3.59Å; A24-L55 WeakPolarHBondContact CA-O 3.46Å; A24-L55 HydrophobicContact CB-CB 4.13Å; A24-L55 HydrophobicContact CB-CD2 4.09Å; A24-L55 HydrophobicContact CB-CG 4.49Å; A24-L184 HydrophobicContact CB-CB 4.05Å; A24-L184 HydrophobicContact CB-CD1 3.99Å; A24-L184 HydrophobicContact CB-CG 3.97Å; A24-P271 CarbonylContact O-C 3.56Å; A24-P271 VanDerWaalsContact O-CA 3.22Å; A24-P271 WeakPolarHBondContact O-CA 3.14Å; A24-V272 HydrophobicContact CB-CG2 4.06Å; A24-V272 PolarHBondContact N-O 3.3Å; A24-V272 PolarHBondContact O-N 3.41Å
25F98.9Very high89.8Confident0 Ų044 Ų440%025%0.248CC..EExtended strand (participates in β ladder)trans-141.6109.1-174.6-172-166.8000110.8I27 I47 V54 L55 I56 Q57 F252 V266 H269 P271F25-I27 HydrophobicContact CB-CG1 4.5Å; F25-I27 HydrophobicContact CD1-CD1 3.64Å; F25-I27 HydrophobicContact CD1-CG1 3.42Å; F25-I27 VanDerWaalsContact CD1-CG1 3.42Å; F25-I27 HydrophobicContact CD2-CG1 4.05Å; F25-I27 HydrophobicContact CE1-CD1 3.76Å; F25-I27 HydrophobicContact CE1-CG1 3.52Å; F25-I27 HydrophobicContact CE2-CG1 4.11Å; F25-I27 HydrophobicContact CG-CD1 4.36Å; F25-I27 HydrophobicContact CG-CG1 3.71Å; F25-I27 HydrophobicContact CZ-CG1 3.88Å; F25-I27 PolarHBondContact O-N 3.34Å; F25-I47 HydrophobicContact CD1-CG2 4.11Å; F25-I47 HydrophobicContact CE1-CD1 4.04Å; F25-I47 HydrophobicContact CE1-CG2 3.93Å; F25-I47 HydrophobicContact CZ-CD1 4.31Å; F25-V54 HydrophobicContact CB-CG2 4.49Å; F25-L55 PolarHBondContact N-O 3.01Å; F25-I56 WeakPolarHBondContact O-CA 3.48Å; F25-Q57 PolarHBondContact O-N 3.07Å; F25-F252 HydrophobicContact CE2-CE1 4.06Å; F25-F252 HydrophobicContact CZ-CD1 4.3Å; F25-F252 AromaticContact CZ-CE1 3.85Å; F25-F252 HydrophobicContact CZ-CE1 3.85Å; F25-F252 HydrophobicContact CZ-CZ 4.49Å; F25-V266 HydrophobicContact CZ-CG1 4.13Å; F25-H269 VanDerWaalsContact CE2-O 3.31Å; F25-H269 WeakPolarHBondContact CE2-O 3.47Å; F25-P271 HydrophobicContact CB-CB 4.11Å; F25-P271 HydrophobicContact CB-CG 4.08Å; F25-P271 HydrophobicContact CD1-CG 3.86Å; F25-P271 HydrophobicContact CD2-CB 4.35Å; F25-P271 HydrophobicContact CD2-CG 3.68Å; F25-P271 HydrophobicContact CE1-CG 4.13Å; F25-P271 HydrophobicContact CE2-CG 3.99Å; F25-P271 HydrophobicContact CG-CB 4.19Å; F25-P271 HydrophobicContact CG-CG 3.62Å; F25-P271 HydrophobicContact CZ-CG 4.19Å
26N98.8Very high92.2Very high0 Ų040.2 Ų40.20%024%0.24CC..EExtended strand (participates in β ladder)trans-70.4113.1161.4-176.8-15.7000108.6Q57 E58 D186 S267 H269N26-Q57 HydrophobicContact CB-CB 4.38Å; N26-E58 PolarHBondContact ND2-OE1 3.4Å; N26-E58 WeakPolarHBondContact OD1-CB 3.46Å; N26-E58 VanDerWaalsContact OD1-CD 3.26Å; N26-E58 VanDerWaalsContact OD1-CG 3.26Å; N26-E58 WeakPolarHBondContact OD1-CG 3.24Å; N26-E58 PolarHBondContact OD1-OE1 3.2Å; N26-D186 HydrophobicContact CB-CB 4.17Å; N26-D186 PolarHBondContact ND2-OD2 3.42Å; N26-D186 VanDerWaalsContact ND2-OD2 3.1Å; N26-S267 WeakPolarHBondContact O-CB 3.5Å; N26-S267 PolarHBondContact O-OG 3.19Å; N26-H269 HydrophobicContact CB-CB 4.09Å
27I98.7Very high94.5Very high0 Ų035.5 Ų35.50%022%0.216CC..EExtended strand (participates in β ladder)trans-10399173.2-56.6-179.5000107.5F25 T29 F30 K34 I44 I56 Q57 S267F25-I27 HydrophobicContact CB-CG1 4.5Å; F25-I27 HydrophobicContact CD1-CD1 3.64Å; F25-I27 HydrophobicContact CD1-CG1 3.42Å; F25-I27 VanDerWaalsContact CD1-CG1 3.42Å; F25-I27 HydrophobicContact CD2-CG1 4.05Å; F25-I27 HydrophobicContact CE1-CD1 3.76Å; F25-I27 HydrophobicContact CE1-CG1 3.52Å; F25-I27 HydrophobicContact CE2-CG1 4.11Å; F25-I27 HydrophobicContact CG-CD1 4.36Å; F25-I27 HydrophobicContact CG-CG1 3.71Å; F25-I27 HydrophobicContact CZ-CG1 3.88Å; F25-I27 PolarHBondContact O-N 3.34Å; I27-T29 PolarHBondContact O-N 3.13Å; I27-F30 HydrophobicContact CB-CB 3.99Å; I27-F30 HydrophobicContact CG2-CB 3.92Å; I27-F30 HydrophobicContact CG2-CD2 3.96Å; I27-F30 HydrophobicContact CG2-CG 4.37Å; I27-F30 WeakPolarHBondContact O-CB 3.16Å; I27-F30 PolarHBondContact O-N 3.05Å; I27-K34 HydrophobicContact CG2-CD 3.9Å; I27-I44 HydrophobicContact CD1-CG2 3.82Å; I27-I44 HydrophobicContact CG2-CD1 4.21Å; I27-I56 HydrophobicContact CB-CG2 4.32Å; I27-I56 HydrophobicContact CD1-CD1 4.16Å; I27-I56 HydrophobicContact CD1-CG1 4.28Å; I27-I56 HydrophobicContact CD1-CG2 3.71Å; I27-I56 HydrophobicContact CG1-CG2 3.98Å; I27-Q57 PolarHBondContact N-O 3.04Å; I27-S267 WeakPolarHBondContact CA-OG 3.44Å
28K97.6Very high96.5Very high85 Ų8535.5 Ų35.537%0.3721%0.212SC..EExtended strand (participates in β ladder)trans-38.4113.9-176.7-170-172.7-172.1123.10113F30 K34 S267 D268K28-F30 VanDerWaalsContact C-N 3.3Å; K28-F30 PolarHBondContact O-N 2.95Å; K28-K34 WeakPolarHBondContact O-CE 3.19Å; K28-K34 PolarHBondContact O-NZ 3.27Å; K28-S267 PolarHBondContact N-OG 2.74Å; K28-D268 WeakPolarHBondContact CB-OD1 3.48Å; K28-D268 WeakPolarHBondContact CD-OD2 3.38Å; K28-D268 WeakPolarHBondContact CE-OD2 3.21Å; K28-D268 IonicContact NZ-OD2 3.34Å; K28-D268 PolarHBondContact NZ-OD2 2.81Å
29T95.4Very high97.6Very high62 Ų6236.4 Ų36.438%0.3822%0.215SC..EExtended strand (participates in β ladder)trans4947.1177.159.60000113.4I27 G31 E58I27-T29 PolarHBondContact O-N 3.13Å; T29-G31 PolarHBondContact O-N 2.85Å; T29-G31 VanDerWaalsContact O-N 3.13Å; T29-E58 PolarHBondContact N-OE2 2.82Å
30F98.5Very high98Very high0 Ų035 Ų350%021%0.205CC..EExtended strand (participates in β ladder)trans-63114.9178-178.7-95.5000110.8I27 K28 K34 M41 I44 E58 V59 R60 A66 L70I27-F30 HydrophobicContact CB-CB 3.99Å; I27-F30 HydrophobicContact CG2-CB 3.92Å; I27-F30 HydrophobicContact CG2-CD2 3.96Å; I27-F30 HydrophobicContact CG2-CG 4.37Å; I27-F30 WeakPolarHBondContact O-CB 3.16Å; I27-F30 PolarHBondContact O-N 3.05Å; K28-F30 VanDerWaalsContact C-N 3.3Å; K28-F30 PolarHBondContact O-N 2.95Å; F30-K34 HydrophobicContact CD2-CD 4.36Å; F30-M41 HydrophobicContact CE2-SD 4.19Å; F30-I44 HydrophobicContact CD2-CD1 4.42Å; F30-I44 HydrophobicContact CE2-CD1 4.4Å; F30-E58 PolarHBondContact N-O 3.23Å; F30-V59 HydrophobicContact CD1-CB 4.45Å; F30-V59 HydrophobicContact CD1-CG1 4.14Å; F30-V59 HydrophobicContact CD1-CG2 4.06Å; F30-V59 CarbonylContact O-C 3.39Å; F30-V59 WeakPolarHBondContact O-CA 3.22Å; F30-R60 PolarHBondContact O-N 3.08Å; F30-A66 HydrophobicContact CE1-CB 4.03Å; F30-A66 HydrophobicContact CZ-CB 4.28Å; F30-L70 HydrophobicContact CE1-CD2 4.45Å; F30-L70 HydrophobicContact CE2-CD2 4.42Å; F30-L70 HydrophobicContact CZ-CB 3.96Å; F30-L70 HydrophobicContact CZ-CD2 3.94Å; F30-L70 HydrophobicContact CZ-CG 4.47Å
31G98.1Very high98.1Very high6 Ų634.9 Ų34.96%0.06220%0.204CC..SBendtrans-171.7-167.5-177.900000110.7T29 T33 K34 A35T29-G31 PolarHBondContact O-N 2.85Å; T29-G31 VanDerWaalsContact O-N 3.13Å; G31-T33 VanDerWaalsContact C-N 3.32Å; G31-T33 PolarHBondContact O-N 2.78Å; G31-K34 PolarHBondContact O-N 2.63Å; G31-A35 WeakPolarHBondContact O-CB 3.28Å; G31-A35 PolarHBondContact O-N 3.22Å
32D98Very high98.2Very high70 Ų7037.3 Ų37.337%0.37422%0.217SC..Hα-helixtrans-56.6-40.2-168.5-105.4-27.8000114.9K34 A35 S36 S65 K69D32-K34 PolarHBondContact O-N 2.81Å; D32-A35 PolarHBondContact O-N 2.79Å; D32-S36 WeakPolarHBondContact O-CB 3.35Å; D32-S36 PolarHBondContact O-N 2.82Å; D32-S65 PolarHBondContact OD1-OG 3.31Å; D32-S65 VanDerWaalsContact OD1-OG 3.14Å; D32-S65 PolarHBondContact OD2-OG 2.9Å; D32-K69 IonicContact OD1-NZ 3.14Å; D32-K69 PolarHBondContact OD1-NZ 2.69Å
33T97.9Very high98.2Very high127 Ų12738.1 Ų38.178%0.77922%0.221SC*.Hα-helixtrans-60.5-46.7177.8-56.20000110.9G31 S36G31-T33 VanDerWaalsContact C-N 3.32Å; G31-T33 PolarHBondContact O-N 2.78Å; T33-S36 PolarHBondContact O-N 2.95Å; T33-S36 PolarHBondContact O-OG 3.06Å
34K97.9Very high98.2Very high21 Ų2138.1 Ų38.19%0.09122%0.221CC..Hα-helixtrans-67.7-42.9177.9-169.1169.9-58.6-1290110.8I27 K28 F30 G31 D32 S36 N37 L40 I44 A265 V266I27-K34 HydrophobicContact CG2-CD 3.9Å; K28-K34 WeakPolarHBondContact O-CE 3.19Å; K28-K34 PolarHBondContact O-NZ 3.27Å; F30-K34 HydrophobicContact CD2-CD 4.36Å; G31-K34 PolarHBondContact O-N 2.63Å; D32-K34 PolarHBondContact O-N 2.81Å; K34-S36 PolarHBondContact O-N 2.89Å; K34-N37 PolarHBondContact O-N 3.46Å; K34-N37 VanDerWaalsContact O-N 3.09Å; K34-L40 HydrophobicContact CG-CB 4.49Å; K34-L40 HydrophobicContact CG-CD1 4.03Å; K34-I44 HydrophobicContact CD-CD1 3.94Å; K34-I44 HydrophobicContact CG-CD1 4.26Å; K34-A265 PolarHBondContact NZ-O 3.39Å; K34-V266 PolarHBondContact NZ-O 3.08Å
35A98Very high98.1Very high7 Ų738.4 Ų38.46%0.05822%0.223CC..Hα-helixtrans-68.2-17.8-179.900000114.3G31 D32 N37 M41 A66 K69G31-A35 WeakPolarHBondContact O-CB 3.28Å; G31-A35 PolarHBondContact O-N 3.22Å; D32-A35 PolarHBondContact O-N 2.79Å; A35-N37 VanDerWaalsContact C-N 3.28Å; A35-M41 VanDerWaalsContact CA-SD 3.57Å; A35-M41 HydrophobicContact CB-SD 4.04Å; A35-M41 WeakPolarHBondContact O-CG 3.49Å; A35-A66 HydrophobicContact CB-CB 3.69Å; A35-K69 HydrophobicContact CB-CB 4.34Å; A35-K69 HydrophobicContact CB-CD 3.91Å
36S97.9Very high98.1Very high84 Ų8441.6 Ų41.659%0.58724%0.243SC*.THydrogen-bonded Turntrans-75.1-17.2172.776.50000113.5D32 T33 K34 T38D32-S36 WeakPolarHBondContact O-CB 3.35Å; D32-S36 PolarHBondContact O-N 2.82Å; T33-S36 PolarHBondContact O-N 2.95Å; T33-S36 PolarHBondContact O-OG 3.06Å; K34-S36 PolarHBondContact O-N 2.89Å; S36-T38 PolarHBondContact O-N 2.88Å
37N98.4Very high98.1Very high68 Ų6841.6 Ų41.636%0.36424%0.243SC..  trans-92.9101.7179.8-173-36.1000110.8K34 A35 T39 L40 M41K34-N37 PolarHBondContact O-N 3.46Å; K34-N37 VanDerWaalsContact O-N 3.09Å; A35-N37 VanDerWaalsContact C-N 3.28Å; N37-T39 PolarHBondContact O-N 2.99Å; N37-T39 WeakPolarHBondContact OD1-CB 3.37Å; N37-T39 PolarHBondContact OD1-N 3.47Å; N37-L40 HydrophobicContact CB-CB 4.18Å; N37-L40 HydrophobicContact CB-CD1 3.97Å; N37-L40 HydrophobicContact CB-CG 4.02Å; N37-L40 PolarHBondContact O-N 2.82Å; N37-L40 VanDerWaalsContact O-N 3.1Å; N37-L40 PolarHBondContact OD1-N 2.66Å; N37-M41 WeakPolarHBondContact O-CG 3.28Å; N37-M41 PolarHBondContact O-N 2.87Å
38T97.5Very high98Very high86 Ų8641.6 Ų41.653%0.52824%0.243SC..Hα-helixtrans-54-37-179.9-46.80000113.3S36 M41 D42S36-T38 PolarHBondContact O-N 2.88Å; T38-M41 PolarHBondContact O-N 3.19Å; T38-D42 WeakPolarHBondContact O-CB 3.46Å; T38-D42 VanDerWaalsContact O-CG 3.23Å; T38-D42 PolarHBondContact O-N 3.1Å
39T98.3Very high98Very high83 Ų8340.8 Ų40.851%0.50924%0.24SC..Hα-helixtrans-65.8-44.7179.5-55.40000111N37 M41 D42 I43N37-T39 PolarHBondContact O-N 2.99Å; N37-T39 WeakPolarHBondContact OD1-CB 3.37Å; N37-T39 PolarHBondContact OD1-N 3.47Å; T39-M41 VanDerWaalsContact C-N 3.33Å; T39-D42 PolarHBondContact O-N 2.84Å; T39-I43 HydrophobicContact CG2-CD1 4.29Å; T39-I43 WeakPolarHBondContact O-CG1 3.45Å; T39-I43 PolarHBondContact O-N 3.01Å; T39-I43 VanDerWaalsContact O-N 3.17Å
40L98.6Very high98.1Very high13 Ų1342 Ų427%0.06824%0.238CC..Hα-helixtrans-65.8-39.8176.3-61.8-178.4000110.9K34 N37 I43 I44 L262 A265 V266K34-L40 HydrophobicContact CG-CB 4.49Å; K34-L40 HydrophobicContact CG-CD1 4.03Å; N37-L40 HydrophobicContact CB-CB 4.18Å; N37-L40 HydrophobicContact CB-CD1 3.97Å; N37-L40 HydrophobicContact CB-CG 4.02Å; N37-L40 PolarHBondContact O-N 2.82Å; N37-L40 VanDerWaalsContact O-N 3.1Å; N37-L40 PolarHBondContact OD1-N 2.66Å; L40-I43 PolarHBondContact O-N 3.08Å; L40-I44 WeakPolarHBondContact O-CB 3.37Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.29Å; L40-I44 PolarHBondContact O-N 3.03Å; L40-L262 HydrophobicContact CD2-CD1 3.97Å; L40-A265 HydrophobicContact CD1-CB 4.4Å; L40-A265 HydrophobicContact CD2-CB 3.78Å; L40-V266 HydrophobicContact CD2-CG2 3.92Å
41M98.4Very high98.1Very high0 Ų042 Ų420%024%0.238CC..Hα-helixtrans-65.8-37.2178.1-70.2-56.7-68.400113.2F30 A35 N37 T38 T39 I44 S45 K69 L70F30-M41 HydrophobicContact CE2-SD 4.19Å; A35-M41 VanDerWaalsContact CA-SD 3.57Å; A35-M41 HydrophobicContact CB-SD 4.04Å; A35-M41 WeakPolarHBondContact O-CG 3.49Å; N37-M41 WeakPolarHBondContact O-CG 3.28Å; N37-M41 PolarHBondContact O-N 2.87Å; T38-M41 PolarHBondContact O-N 3.19Å; T39-M41 VanDerWaalsContact C-N 3.33Å; M41-I44 HydrophobicContact SD-CD1 4.41Å; M41-S45 WeakPolarHBondContact O-CB 3.36Å; M41-S45 PolarHBondContact O-N 2.64Å; M41-K69 HydrophobicContact CE-CB 4.49Å; M41-L70 HydrophobicContact CE-CB 3.75Å; M41-L70 HydrophobicContact CE-CD1 3.79Å; M41-L70 HydrophobicContact CE-CG 4.39Å
42D98.1Very high98.1Very high71 Ų7143.1 Ų43.138%0.3824%0.242SC..Hα-helixtrans-67.3-37.9175.1-71.3-19000111.4T38 T39 T46 H73T38-D42 WeakPolarHBondContact O-CB 3.46Å; T38-D42 VanDerWaalsContact O-CG 3.23Å; T38-D42 PolarHBondContact O-N 3.1Å; T39-D42 PolarHBondContact O-N 2.84Å; D42-T46 WeakPolarHBondContact O-CB 3.27Å; D42-T46 PolarHBondContact O-N 3.11Å; D42-T46 PolarHBondContact O-OG1 2.81Å; D42-H73 IonicContact OD1-CE1 3.67Å; D42-H73 PolarHBondContact OD1-CE1 2.8Å; D42-H73 VanDerWaalsContact OD1-CE1 3.31Å; D42-H73 IonicContact OD1-ND1 3.85Å; D42-H73 PolarHBondContact OD1-ND1 3.12Å
43I98.6Very high98.1Very high17 Ų1739.8 Ų39.89%0.08723%0.225CC..Hα-helixtrans-66.9-50.7173.9-64.6163.3000110.8T39 L40 S45 T46 I47 L256 L258 L262 V266T39-I43 HydrophobicContact CG2-CD1 4.29Å; T39-I43 WeakPolarHBondContact O-CG1 3.45Å; T39-I43 PolarHBondContact O-N 3.01Å; T39-I43 VanDerWaalsContact O-N 3.17Å; L40-I43 PolarHBondContact O-N 3.08Å; I43-S45 VanDerWaalsContact C-N 3.3Å; I43-S45 PolarHBondContact O-N 3.21Å; I43-T46 WeakPolarHBondContact O-CB 3.38Å; I43-T46 PolarHBondContact O-N 3.08Å; I43-T46 VanDerWaalsContact O-N 3.12Å; I43-I47 HydrophobicContact CG2-CD1 3.93Å; I43-I47 WeakPolarHBondContact O-CG1 3.39Å; I43-I47 PolarHBondContact O-N 2.75Å; I43-L256 HydrophobicContact CG2-CD1 3.86Å; I43-L258 HydrophobicContact CD1-CD1 4.29Å; I43-L258 HydrophobicContact CD1-CD2 4.17Å; I43-L258 HydrophobicContact CG2-CD1 4.04Å; I43-L262 HydrophobicContact CD1-CD1 4.07Å; I43-L262 HydrophobicContact CD1-CD2 4Å; I43-L262 HydrophobicContact CD1-CG 3.98Å; I43-V266 HydrophobicContact CB-CG2 4.13Å; I43-V266 HydrophobicContact CD1-CG2 4.12Å; I43-V266 HydrophobicContact CG2-CG1 4.38Å; I43-V266 HydrophobicContact CG2-CG2 3.66Å
44I98.7Very high98.2Very high0 Ų033.8 Ų33.80%019%0.187CC..Hα-helixtrans-58.8-44.4178.8-68.6164.3000110.2I27 F30 K34 L40 M41 T46 I47 V48 L70 V266I27-I44 HydrophobicContact CD1-CG2 3.82Å; I27-I44 HydrophobicContact CG2-CD1 4.21Å; F30-I44 HydrophobicContact CD2-CD1 4.42Å; F30-I44 HydrophobicContact CE2-CD1 4.4Å; K34-I44 HydrophobicContact CD-CD1 3.94Å; K34-I44 HydrophobicContact CG-CD1 4.26Å; L40-I44 WeakPolarHBondContact O-CB 3.37Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.29Å; L40-I44 PolarHBondContact O-N 3.03Å; M41-I44 HydrophobicContact SD-CD1 4.41Å; I44-T46 VanDerWaalsContact C-N 3.34Å; I44-T46 PolarHBondContact O-N 2.93Å; I44-I47 PolarHBondContact O-N 3Å; I44-V48 HydrophobicContact CG2-CG2 4.23Å; I44-V48 WeakPolarHBondContact O-CB 3.5Å; I44-V48 WeakPolarHBondContact O-CG2 3.42Å; I44-V48 PolarHBondContact O-N 3.41Å; I44-L70 HydrophobicContact CG2-CD1 3.72Å; I44-V266 HydrophobicContact CG1-CG1 3.97Å
45S98Very high98.2Very high7 Ų732.8 Ų32.85%0.04918%0.183CC..Hα-helixtrans-59.7-44.1175.7-1790000111.8M41 I43 I47 V48 Q49 H73 V74M41-S45 WeakPolarHBondContact O-CB 3.36Å; M41-S45 PolarHBondContact O-N 2.64Å; I43-S45 VanDerWaalsContact C-N 3.3Å; I43-S45 PolarHBondContact O-N 3.21Å; S45-I47 VanDerWaalsContact C-N 3.3Å; S45-I47 PolarHBondContact O-N 3.5Å; S45-V48 PolarHBondContact O-N 2.75Å; S45-Q49 WeakPolarHBondContact O-CB 3.39Å; S45-Q49 VanDerWaalsContact O-CG 3.27Å; S45-Q49 WeakPolarHBondContact O-CG 3.4Å; S45-Q49 PolarHBondContact O-N 3.36Å; S45-H73 PolarHBondContact OG-O 2.96Å; S45-V74 WeakPolarHBondContact OG-CA 3.16Å
46T98Very high98.3Very high67 Ų6732.4 Ų32.441%0.41118%0.18SC..Hα-helixtrans-60.1-40.2176-59.80000111.9D42 I43 I44 L256D42-T46 WeakPolarHBondContact O-CB 3.27Å; D42-T46 PolarHBondContact O-N 3.11Å; D42-T46 PolarHBondContact O-OG1 2.81Å; I43-T46 WeakPolarHBondContact O-CB 3.38Å; I43-T46 PolarHBondContact O-N 3.08Å; I43-T46 VanDerWaalsContact O-N 3.12Å; I44-T46 VanDerWaalsContact C-N 3.34Å; I44-T46 PolarHBondContact O-N 2.93Å; T46-L256 HydrophobicContact CG2-CD1 4.42Å; T46-L256 HydrophobicContact CG2-CD2 3.92Å
47I98.6Very high98.3Very high0 Ų028.4 Ų28.40%015%0.152CC..Hα-helixtrans-66.2-51.5175.7-63166.3000110F25 I43 I44 S45 Q49 R50 Y51 Y250 F252 L256 V266 P271F25-I47 HydrophobicContact CD1-CG2 4.11Å; F25-I47 HydrophobicContact CE1-CD1 4.04Å; F25-I47 HydrophobicContact CE1-CG2 3.93Å; F25-I47 HydrophobicContact CZ-CD1 4.31Å; I43-I47 HydrophobicContact CG2-CD1 3.93Å; I43-I47 WeakPolarHBondContact O-CG1 3.39Å; I43-I47 PolarHBondContact O-N 2.75Å; I44-I47 PolarHBondContact O-N 3Å; S45-I47 VanDerWaalsContact C-N 3.3Å; S45-I47 PolarHBondContact O-N 3.5Å; I47-Q49 VanDerWaalsContact C-N 3.3Å; I47-Q49 PolarHBondContact O-N 3.31Å; I47-R50 VanDerWaalsContact O-CB 3.29Å; I47-R50 WeakPolarHBondContact O-CB 3.36Å; I47-R50 WeakPolarHBondContact O-CG 3.45Å; I47-R50 PolarHBondContact O-N 3.02Å; I47-R50 VanDerWaalsContact O-N 3.08Å; I47-Y51 HydrophobicContact CG2-CE2 4.04Å; I47-Y51 WeakPolarHBondContact O-CD2 3.48Å; I47-Y51 WeakPolarHBondContact O-CE2 3.32Å; I47-Y250 HydrophobicContact CG1-CE1 4.22Å; I47-Y250 HydrophobicContact CG2-CD1 4.33Å; I47-Y250 HydrophobicContact CG2-CE1 4.2Å; I47-F252 HydrophobicContact CD1-CB 3.74Å; I47-F252 HydrophobicContact CD1-CD1 3.93Å; I47-F252 HydrophobicContact CD1-CD2 3.97Å; I47-F252 HydrophobicContact CD1-CG 3.61Å; I47-F252 HydrophobicContact CG1-CB 3.99Å; I47-F252 HydrophobicContact CG1-CG 4.41Å; I47-L256 HydrophobicContact CG1-CD1 4.13Å; I47-V266 HydrophobicContact CD1-CG1 4.14Å; I47-P271 HydrophobicContact CG2-CG 3.92Å
48V98.4Very high98.3Very high0 Ų026.2 Ų26.20%014%0.14CC..Hα-helixtrans-57.9-41-179.5166.70000112I44 S45 R50 Y51 V54 I56 V74 F81 L101I44-V48 HydrophobicContact CG2-CG2 4.23Å; I44-V48 WeakPolarHBondContact O-CB 3.5Å; I44-V48 WeakPolarHBondContact O-CG2 3.42Å; I44-V48 PolarHBondContact O-N 3.41Å; S45-V48 PolarHBondContact O-N 2.75Å; V48-R50 PolarHBondContact O-N 2.91Å; V48-Y51 PolarHBondContact O-N 3.42Å; V48-V54 HydrophobicContact CG1-CG1 4.08Å; V48-V54 HydrophobicContact CG2-CG1 4.4Å; V48-I56 HydrophobicContact CG2-CD1 4.1Å; V48-V74 HydrophobicContact CB-CG2 4.08Å; V48-V74 HydrophobicContact CG1-CG1 3.96Å; V48-V74 HydrophobicContact CG1-CG2 3.72Å; V48-F81 HydrophobicContact CG1-CE1 4.28Å; V48-F81 HydrophobicContact CG1-CZ 4.48Å; V48-L101 HydrophobicContact CG1-CB 4.5Å; V48-L101 HydrophobicContact CG1-CD2 3.7Å
49Q97.3Very high98.4Very high68 Ų6822.2 Ų22.232%0.31812%0.115SC..THydrogen-bonded Turntrans-64.7-8.2179.6-76.2-178.1-0.500113.9S45 I47 Y51 V74 F81 R103S45-Q49 WeakPolarHBondContact O-CB 3.39Å; S45-Q49 VanDerWaalsContact O-CG 3.27Å; S45-Q49 WeakPolarHBondContact O-CG 3.4Å; S45-Q49 PolarHBondContact O-N 3.36Å; I47-Q49 VanDerWaalsContact C-N 3.3Å; I47-Q49 PolarHBondContact O-N 3.31Å; Q49-Y51 VanDerWaalsContact C-N 3.32Å; Q49-V74 HydrophobicContact CG-CG1 4.34Å; Q49-V74 PolarHBondContact NE2-O 3.25Å; Q49-F81 HydrophobicContact CG-CE2 4.37Å; Q49-R103 PolarHBondContact O-NH2 2.78Å
50R97.7Very high98.3Very high87 Ų8723.6 Ų23.633%0.32811%0.111SC..THydrogen-bonded Turntrans-70.2-33.3170.2-64.4169.552.877.33.1112.3L21 I47 V48 Y250 E273L21-R50 HydrophobicContact CD2-CB 4.38Å; L21-R50 WeakPolarHBondContact CD2-O 3.35Å; I47-R50 VanDerWaalsContact O-CB 3.29Å; I47-R50 WeakPolarHBondContact O-CB 3.36Å; I47-R50 WeakPolarHBondContact O-CG 3.45Å; I47-R50 PolarHBondContact O-N 3.02Å; I47-R50 VanDerWaalsContact O-N 3.08Å; V48-R50 PolarHBondContact O-N 2.91Å; R50-Y250 VanDerWaalsContact CZ-CD2 3.45Å; R50-E273 IonicContact CZ-OE2 3.52Å; R50-E273 IonicContact NE-OE2 2.7Å; R50-E273 IonicContact NH2-OE1 2.75Å; R50-E273 PolarHBondContact NH2-OE1 3.47Å; R50-E273 IonicContact NH2-OE2 3.74Å; R50-E273 PolarHBondContact NH2-OE2 3.35Å; R50-E273 VanDerWaalsContact NH2-OE2 3.1Å
51Y98.3Very high98.2Very high1 Ų123.2 Ų23.20%0.00411%0.109CC..  trans-91.9150.8-165.9-56.5-72.7000112.3L21 I47 V48 Q49 V54 F81 R103 P271 E273L21-Y51 HydrophobicContact CD2-CD1 3.94Å; L21-Y51 HydrophobicContact CD2-CE1 4.04Å; L21-Y51 HydrophobicContact CG-CD1 3.84Å; L21-Y51 HydrophobicContact CG-CE1 4.16Å; I47-Y51 HydrophobicContact CG2-CE2 4.04Å; I47-Y51 WeakPolarHBondContact O-CD2 3.48Å; I47-Y51 WeakPolarHBondContact O-CE2 3.32Å; V48-Y51 PolarHBondContact O-N 3.42Å; Q49-Y51 VanDerWaalsContact C-N 3.32Å; Y51-V54 HydrophobicContact CD2-CB 3.81Å; Y51-V54 HydrophobicContact CD2-CG1 4.36Å; Y51-V54 HydrophobicContact CD2-CG2 3.83Å; Y51-V54 HydrophobicContact CE2-CG2 4.25Å; Y51-V54 HydrophobicContact CG-CB 3.84Å; Y51-V54 HydrophobicContact CG-CG2 4.21Å; Y51-F81 WeakPolarHBondContact O-CZ 3.46Å; Y51-R103 PolarHBondContact O-NE 3.47Å; Y51-R103 VanDerWaalsContact O-NE 3.08Å; Y51-P271 WeakPolarHBondContact OH-CB 3.49Å; Y51-E273 HydrophobicContact CE1-CB 3.69Å; Y51-E273 VanDerWaalsContact CE1-OE2 3.28Å; Y51-E273 WeakPolarHBondContact CE1-OE2 3.24Å; Y51-E273 PolarHBondContact OH-OE2 3.14Å
52D97.8Very high97.9Very high29 Ų2928.1 Ų28.116%0.15514%0.143CC..SBendtrans-84.8-35.4163.2-71.3-66.8000111.1L20 L21 Y102 R103 S106L20-D52 WeakPolarHBondContact CA-OD2 3.12Å; L20-D52 HydrophobicContact CD1-CB 4.2Å; L20-D52 HydrophobicContact CD2-CB 3.99Å; L20-D52 HydrophobicContact CG-CB 3.57Å; L21-D52 PolarHBondContact N-OD2 2.74Å; L21-D52 PolarHBondContact O-N 2.75Å; D52-Y102 CarbonylContact O-C 3.55Å; D52-Y102 WeakPolarHBondContact O-CA 3.42Å; D52-R103 PolarHBondContact O-N 3.2Å; D52-S106 WeakPolarHBondContact OD1-CB 3.21Å; D52-S106 PolarHBondContact OD1-OG 3.06Å
53V98.7Very high97.7Very high0 Ų029.9 Ų29.90%015%0.153CC..EExtended strand (participates in β ladder)trans-138.8129.9170.9-174.80000108.2L20 L21 L22 G23 F100 L101 V107 F136 L148L20-V53 HydrophobicContact CD2-CG2 4.37Å; L21-V53 PolarHBondContact O-N 3.32Å; L22-V53 CarbonylContact C-O 3.52Å; L22-V53 WeakPolarHBondContact CA-O 3.39Å; L22-V53 HydrophobicContact CD1-CB 3.85Å; L22-V53 HydrophobicContact CD1-CG1 3.94Å; G23-V53 PolarHBondContact N-O 3.36Å; V53-F100 HydrophobicContact CG1-CD1 4.3Å; V53-L101 CarbonylContact C-O 3.6Å; V53-L101 WeakPolarHBondContact CA-O 3.27Å; V53-V107 HydrophobicContact CG2-CB 4.48Å; V53-V107 HydrophobicContact CG2-CG1 4.04Å; V53-V107 HydrophobicContact CG2-CG2 3.66Å; V53-F136 HydrophobicContact CG1-CE1 4.45Å; V53-F136 HydrophobicContact CG1-CE2 4.24Å; V53-F136 HydrophobicContact CG1-CZ 4.06Å; V53-L148 HydrophobicContact CG1-CD1 3.77Å
54V98.9Very high97.7Very high0 Ų031 Ų310%016%0.159CC..EExtended strand (participates in β ladder)trans-133.7130.1174.661.90000110.7G23 F25 V48 Y51 F100 L101G23-V54 CarbonylContact O-C 3.59Å; G23-V54 WeakPolarHBondContact O-CA 3.23Å; F25-V54 HydrophobicContact CB-CG2 4.49Å; V48-V54 HydrophobicContact CG1-CG1 4.08Å; V48-V54 HydrophobicContact CG2-CG1 4.4Å; Y51-V54 HydrophobicContact CD2-CB 3.81Å; Y51-V54 HydrophobicContact CD2-CG1 4.36Å; Y51-V54 HydrophobicContact CD2-CG2 3.83Å; Y51-V54 HydrophobicContact CE2-CG2 4.25Å; Y51-V54 HydrophobicContact CG-CB 3.84Å; Y51-V54 HydrophobicContact CG-CG2 4.21Å; V54-F100 WeakPolarHBondContact O-CA 3.49Å; V54-L101 HydrophobicContact CG1-CB 3.85Å; V54-L101 PolarHBondContact N-O 2.84Å; V54-L101 PolarHBondContact O-N 3.15Å
55L98.9Very high97.7Very high0 Ų032.3 Ų32.30%017%0.168CC..EExtended strand (participates in β ladder)trans-81.7128.8165171.164000109.1G23 A24 F25 Q57 Y98 L99 F100 P150 L184G23-L55 PolarHBondContact O-N 3.23Å; A24-L55 CarbonylContact C-O 3.59Å; A24-L55 WeakPolarHBondContact CA-O 3.46Å; A24-L55 HydrophobicContact CB-CB 4.13Å; A24-L55 HydrophobicContact CB-CD2 4.09Å; A24-L55 HydrophobicContact CB-CG 4.49Å; F25-L55 PolarHBondContact N-O 3.01Å; L55-Q57 HydrophobicContact CD1-CG 4.19Å; L55-Q57 HydrophobicContact CD2-CG 3.91Å; L55-Q57 HydrophobicContact CG-CG 3.8Å; L55-Y98 HydrophobicContact CD1-CD1 4.15Å; L55-L99 CarbonylContact C-O 3.55Å; L55-F100 HydrophobicContact CB-CD1 3.99Å; L55-F100 HydrophobicContact CB-CE1 3.68Å; L55-F100 HydrophobicContact CB-CZ 4.4Å; L55-F100 HydrophobicContact CD1-CD1 4.28Å; L55-F100 HydrophobicContact CD1-CD2 4.48Å; L55-F100 HydrophobicContact CD1-CE1 3.92Å; L55-F100 HydrophobicContact CD1-CE2 4.14Å; L55-F100 HydrophobicContact CD1-CZ 3.85Å; L55-F100 HydrophobicContact CG-CE1 4.27Å; L55-P150 HydrophobicContact CD1-CB 3.67Å; L55-P150 HydrophobicContact CD2-CB 3.45Å; L55-P150 VanDerWaalsContact CD2-CB 3.45Å; L55-P150 HydrophobicContact CG-CB 4.21Å; L55-L184 HydrophobicContact CB-CD1 4.42Å; L55-L184 HydrophobicContact CD2-CD2 4.39Å; L55-L184 HydrophobicContact CD2-CG 3.97Å; L55-L184 WeakPolarHBondContact CD2-O 3.41Å
56I98.9Very high97.7Very high0 Ų032 Ų320%017%0.166CC..EExtended strand (participates in β ladder)trans-111.6130.1168.3-59.5176.9000108.2F25 I27 V48 V59 L70 L99 L101F25-I56 WeakPolarHBondContact O-CA 3.48Å; I27-I56 HydrophobicContact CB-CG2 4.32Å; I27-I56 HydrophobicContact CD1-CD1 4.16Å; I27-I56 HydrophobicContact CD1-CG1 4.28Å; I27-I56 HydrophobicContact CD1-CG2 3.71Å; I27-I56 HydrophobicContact CG1-CG2 3.98Å; V48-I56 HydrophobicContact CG2-CD1 4.1Å; I56-V59 HydrophobicContact CB-CG2 4.38Å; I56-V59 HydrophobicContact CG2-CG2 3.73Å; I56-L70 HydrophobicContact CD1-CD2 3.64Å; I56-L99 HydrophobicContact CB-CB 4.28Å; I56-L99 HydrophobicContact CB-CD2 4.49Å; I56-L99 HydrophobicContact CD1-CD2 4.36Å; I56-L99 PolarHBondContact N-O 3.27Å; I56-L99 PolarHBondContact O-N 2.91Å; I56-L101 HydrophobicContact CD1-CD1 4.29Å; I56-L101 HydrophobicContact CD1-CD2 4.47Å
57Q98.9Very high97.7Very high0 Ų028.8 Ų28.80%015%0.146CC..EExtended strand (participates in β ladder)trans-115.6171.4179.3-50.7177.3-67.500110.4F25 N26 I27 L55 V59 Y98 Q151 H152 G185F25-Q57 PolarHBondContact O-N 3.07Å; N26-Q57 HydrophobicContact CB-CB 4.38Å; I27-Q57 PolarHBondContact N-O 3.04Å; L55-Q57 HydrophobicContact CD1-CG 4.19Å; L55-Q57 HydrophobicContact CD2-CG 3.91Å; L55-Q57 HydrophobicContact CG-CG 3.8Å; Q57-V59 PolarHBondContact O-N 2.86Å; Q57-Y98 HydrophobicContact CG-CD1 4.17Å; Q57-Y98 HydrophobicContact CG-CE1 4.31Å; Q57-Q151 PolarHBondContact NE2-O 3.03Å; Q57-H152 HydrophobicContact CB-CB 4.39Å; Q57-G185 VanDerWaalsContact OE1-CA 3.3Å
58E98.4Very high97.7Very high22 Ų2234.6 Ų34.610%0.10317%0.171CC..EExtended strand (participates in β ladder)trans57.731.9-171.3-73.8-164-143.800114.3N26 T29 F30 R60 E96 H152N26-E58 PolarHBondContact ND2-OE1 3.4Å; N26-E58 WeakPolarHBondContact OD1-CB 3.46Å; N26-E58 VanDerWaalsContact OD1-CD 3.26Å; N26-E58 VanDerWaalsContact OD1-CG 3.26Å; N26-E58 WeakPolarHBondContact OD1-CG 3.24Å; N26-E58 PolarHBondContact OD1-OE1 3.2Å; T29-E58 PolarHBondContact N-OE2 2.82Å; F30-E58 PolarHBondContact N-O 3.23Å; E58-R60 PolarHBondContact O-N 3.05Å; E58-R60 VanDerWaalsContact O-N 3.08Å; E58-E96 WeakPolarHBondContact CA-OE2 3.27Å; E58-H152 VanDerWaalsContact CG-CE1 3.48Å; E58-H152 WeakPolarHBondContact CG-CE1 3.43Å; E58-H152 IonicContact OE1-CE1 2.96Å
59V98.6Very high97.7Very high1 Ų138.3 Ų38.31%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-75.4101.4175.3179.80000109.7F30 I56 Q57 D61 E96 R97 L99F30-V59 HydrophobicContact CD1-CB 4.45Å; F30-V59 HydrophobicContact CD1-CG1 4.14Å; F30-V59 HydrophobicContact CD1-CG2 4.06Å; F30-V59 CarbonylContact O-C 3.39Å; F30-V59 WeakPolarHBondContact O-CA 3.22Å; I56-V59 HydrophobicContact CB-CG2 4.38Å; I56-V59 HydrophobicContact CG2-CG2 3.73Å; Q57-V59 PolarHBondContact O-N 2.86Å; V59-D61 HydrophobicContact CG1-CB 3.71Å; V59-E96 CarbonylContact O-C 3.48Å; V59-E96 WeakPolarHBondContact O-CA 3.23Å; V59-R97 HydrophobicContact CB-CB 4.07Å; V59-R97 WeakPolarHBondContact CB-O 3.34Å; V59-R97 HydrophobicContact CG1-CB 4.21Å; V59-R97 PolarHBondContact O-N 2.7Å; V59-L99 HydrophobicContact CG2-CB 3.84Å; V59-L99 HydrophobicContact CG2-CD2 4.24Å
60R97.2Very high97.7Very high112 Ų11235 Ų3542%0.42317%0.172SC..  trans-101.572.9176.5-60.4-168.470.5-152.4-1.8109.7F30 E58 E96F30-R60 PolarHBondContact O-N 3.08Å; E58-R60 PolarHBondContact O-N 3.05Å; E58-R60 VanDerWaalsContact O-N 3.08Å; R60-E96 HydrophobicContact CG-CG 4.21Å
61D96Very high97.7Very high6 Ų631.6 Ų31.63%0.03216%0.16CC..  trans-141.786-169.2-170.325000109.6V59 D63 L64 S65 A66 T67 R97V59-D61 HydrophobicContact CG1-CB 3.71Å; D61-D63 VanDerWaalsContact C-N 3.34Å; D61-D63 PolarHBondContact O-N 3.42Å; D61-L64 VanDerWaalsContact CG-CA 3.48Å; D61-L64 WeakPolarHBondContact OD2-CA 3.34Å; D61-S65 PolarHBondContact OD1-N 2.89Å; D61-S65 VanDerWaalsContact OD1-N 3.1Å; D61-S65 PolarHBondContact OD1-OG 2.96Å; D61-S65 PolarHBondContact OD2-N 3.35Å; D61-A66 HydrophobicContact CB-CB 4.25Å; D61-A66 PolarHBondContact OD1-N 2.96Å; D61-A66 VanDerWaalsContact OD1-N 3.08Å; D61-A66 WeakPolarHBondContact OD2-CB 3.36Å; D61-A66 PolarHBondContact OD2-N 2.83Å; D61-A66 VanDerWaalsContact OD2-N 3.14Å; D61-T67 WeakPolarHBondContact OD2-CB 3.32Å; D61-T67 PolarHBondContact OD2-N 3Å; D61-T67 PolarHBondContact OD2-OG1 2.88Å; D61-R97 PolarHBondContact O-NE 3.15Å
62S91.5Very high97.7Very high102 Ų10235.9 Ų35.971%0.71318%0.183SC*.THydrogen-bonded Turntrans-67.2-35.7-171.153.30000112.6R97S62-R97 PolarHBondContact O-NH2 3.43Å
63D95.3Very high97.6Very high109 Ų10936.3 Ų36.358%0.58318%0.184SC*.THydrogen-bonded Turntrans-1046.3-176.771-7.1000114.1D61 S65D61-D63 VanDerWaalsContact C-N 3.34Å; D61-D63 PolarHBondContact O-N 3.42Å; D63-S65 PolarHBondContact O-N 2.88Å; D63-S65 WeakPolarHBondContact OD1-CB 3.2Å; D63-S65 PolarHBondContact OD1-N 2.89Å; D63-S65 PolarHBondContact OD1-OG 2.93Å
64L97.7Very high97.5Very high41 Ų4136.3 Ų36.322%0.21518%0.184CC..SBendtrans61.917.5-178.3-55.9179.2000114.5D61 T67 K68 V85D61-L64 VanDerWaalsContact CG-CA 3.48Å; D61-L64 WeakPolarHBondContact OD2-CA 3.34Å; L64-T67 PolarHBondContact O-N 2.82Å; L64-K68 WeakPolarHBondContact O-CB 3.25Å; L64-K68 PolarHBondContact O-N 3.33Å; L64-V85 HydrophobicContact CD1-CG1 3.98Å; L64-V85 HydrophobicContact CD2-CG1 4.13Å; L64-V85 HydrophobicContact CD2-CG2 4.1Å
65S98.2Very high97.4Very high27 Ų2738.9 Ų38.919%0.18920%0.198CC..Hα-helixtrans-69.5-38.5-178.662.90000112.5D32 D61 D63 K68 K69D32-S65 PolarHBondContact OD1-OG 3.31Å; D32-S65 VanDerWaalsContact OD1-OG 3.14Å; D32-S65 PolarHBondContact OD2-OG 2.9Å; D61-S65 PolarHBondContact OD1-N 2.89Å; D61-S65 VanDerWaalsContact OD1-N 3.1Å; D61-S65 PolarHBondContact OD1-OG 2.96Å; D61-S65 PolarHBondContact OD2-N 3.35Å; D63-S65 PolarHBondContact O-N 2.88Å; D63-S65 WeakPolarHBondContact OD1-CB 3.2Å; D63-S65 PolarHBondContact OD1-N 2.89Å; D63-S65 PolarHBondContact OD1-OG 2.93Å; S65-K68 PolarHBondContact O-N 2.86Å; S65-K69 WeakPolarHBondContact O-CG 3.22Å; S65-K69 PolarHBondContact O-N 3.38Å; S65-K69 VanDerWaalsContact O-N 3.07Å
66A98.4Very high96.9Very high0 Ų046.7 Ų46.70%023%0.232CC..Hα-helixtrans-67.9-39.8174.300000111.4F30 A35 D61 K69 L70F30-A66 HydrophobicContact CE1-CB 4.03Å; F30-A66 HydrophobicContact CZ-CB 4.28Å; A35-A66 HydrophobicContact CB-CB 3.69Å; D61-A66 HydrophobicContact CB-CB 4.25Å; D61-A66 PolarHBondContact OD1-N 2.96Å; D61-A66 VanDerWaalsContact OD1-N 3.08Å; D61-A66 WeakPolarHBondContact OD2-CB 3.36Å; D61-A66 PolarHBondContact OD2-N 2.83Å; D61-A66 VanDerWaalsContact OD2-N 3.14Å; A66-K69 WeakPolarHBondContact O-CB 3.26Å; A66-K69 PolarHBondContact O-N 3.04Å; A66-L70 PolarHBondContact O-N 2.83Å
67T98.3Very high96.2Very high0 Ų049.9 Ų49.90%027%0.265CS..Hα-helixtrans-60.9-45.6174.7-58.60000110.4D61 L64 K69 L70 M71 Y83 L99D61-T67 WeakPolarHBondContact OD2-CB 3.32Å; D61-T67 PolarHBondContact OD2-N 3Å; D61-T67 PolarHBondContact OD2-OG1 2.88Å; L64-T67 PolarHBondContact O-N 2.82Å; T67-K69 PolarHBondContact O-N 3.48Å; T67-L70 WeakPolarHBondContact O-CB 3.34Å; T67-L70 PolarHBondContact O-N 2.81Å; T67-L70 VanDerWaalsContact O-N 3.17Å; T67-M71 WeakPolarHBondContact O-CG 3.38Å; T67-M71 PolarHBondContact O-N 3.3Å; T67-Y83 HydrophobicContact CG2-CD2 4.23Å; T67-Y83 HydrophobicContact CG2-CE2 4.14Å; T67-L99 HydrophobicContact CG2-CD1 3.9Å; T67-L99 HydrophobicContact CG2-CD2 3.87Å
68K98.1Very high95.2Very high122 Ų12255.7 Ų55.753%0.5331%0.305SS..Hα-helixtrans-59.7-45.6175.2-176.2-179.5178.3-61.10111.6L64 S65 L70 M71 D72L64-K68 WeakPolarHBondContact O-CB 3.25Å; L64-K68 PolarHBondContact O-N 3.33Å; S65-K68 PolarHBondContact O-N 2.86Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 3.28Å; K68-M71 PolarHBondContact O-N 2.93Å; K68-D72 IonicContact NZ-OD1 3.72Å; K68-D72 IonicContact NZ-OD2 3.44Å; K68-D72 PolarHBondContact NZ-OD2 2.85Å; K68-D72 VanDerWaalsContact O-CG 3.29Å; K68-D72 PolarHBondContact O-N 3.06Å
69K98.1Very high94.4Very high77 Ų7755.8 Ų55.834%0.33531%0.308SS..Hα-helixtrans-59.1-41.4175.2-69.9166.7-172.1159.90111.4D32 A35 M41 S65 A66 T67 D72 H73D32-K69 IonicContact OD1-NZ 3.14Å; D32-K69 PolarHBondContact OD1-NZ 2.69Å; A35-K69 HydrophobicContact CB-CB 4.34Å; A35-K69 HydrophobicContact CB-CD 3.91Å; M41-K69 HydrophobicContact CE-CB 4.49Å; S65-K69 WeakPolarHBondContact O-CG 3.22Å; S65-K69 PolarHBondContact O-N 3.38Å; S65-K69 VanDerWaalsContact O-N 3.07Å; A66-K69 WeakPolarHBondContact O-CB 3.26Å; A66-K69 PolarHBondContact O-N 3.04Å; T67-K69 PolarHBondContact O-N 3.48Å; K69-D72 PolarHBondContact O-N 2.96Å; K69-H73 PolarHBondContact O-CD2 3.45Å; K69-H73 VanDerWaalsContact O-CD2 3.3Å; K69-H73 PolarHBondContact O-N 3.19Å
70L98.4Very high94.1Very high0 Ų061.9 Ų61.90%034%0.337CS..Hα-helixtrans-60.8-46.9175-178.859.2000112.2F30 M41 I44 I56 A66 T67 K68 D72 H73 V74 L101F30-L70 HydrophobicContact CE1-CD2 4.45Å; F30-L70 HydrophobicContact CE2-CD2 4.42Å; F30-L70 HydrophobicContact CZ-CB 3.96Å; F30-L70 HydrophobicContact CZ-CD2 3.94Å; F30-L70 HydrophobicContact CZ-CG 4.47Å; M41-L70 HydrophobicContact CE-CB 3.75Å; M41-L70 HydrophobicContact CE-CD1 3.79Å; M41-L70 HydrophobicContact CE-CG 4.39Å; I44-L70 HydrophobicContact CG2-CD1 3.72Å; I56-L70 HydrophobicContact CD1-CD2 3.64Å; A66-L70 PolarHBondContact O-N 2.83Å; T67-L70 WeakPolarHBondContact O-CB 3.34Å; T67-L70 PolarHBondContact O-N 2.81Å; T67-L70 VanDerWaalsContact O-N 3.17Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 3.28Å; L70-D72 VanDerWaalsContact C-N 3.3Å; L70-D72 PolarHBondContact O-N 3.39Å; L70-H73 PolarHBondContact O-N 3.44Å; L70-H73 VanDerWaalsContact O-N 3.15Å; L70-V74 HydrophobicContact CD1-CG2 3.76Å; L70-V74 HydrophobicContact CG-CG2 4.12Å; L70-V74 WeakPolarHBondContact O-CB 3.5Å; L70-V74 VanDerWaalsContact O-CG2 3.31Å; L70-V74 WeakPolarHBondContact O-CG2 3.45Å; L70-V74 PolarHBondContact O-N 2.98Å; L70-L101 HydrophobicContact CD2-CD2 3.99Å; L70-L101 HydrophobicContact CG-CD2 4.23Å
71M98.1Very high94.2Very high15 Ų1556.8 Ų56.87%0.07432%0.318CS..Hα-helixtrans-61.5-40.4177.4-65.6-53.8-57.800111.8T67 K68 H73 V74 N75 F81 Y83 L101T67-M71 WeakPolarHBondContact O-CG 3.38Å; T67-M71 PolarHBondContact O-N 3.3Å; K68-M71 PolarHBondContact O-N 2.93Å; M71-H73 VanDerWaalsContact C-N 3.3Å; M71-H73 PolarHBondContact O-N 2.86Å; M71-V74 PolarHBondContact O-N 3.39Å; M71-N75 VanDerWaalsContact O-CB 3.28Å; M71-N75 WeakPolarHBondContact O-CB 3.46Å; M71-N75 PolarHBondContact O-N 2.83Å; M71-F81 HydrophobicContact CE-CB 3.73Å; M71-F81 WeakPolarHBondContact CE-O 3.31Å; M71-Y83 HydrophobicContact CE-CD1 4.07Å; M71-Y83 HydrophobicContact CG-CD1 3.65Å; M71-Y83 HydrophobicContact CG-CE1 3.97Å; M71-Y83 HydrophobicContact SD-CD1 3.79Å; M71-Y83 HydrophobicContact SD-CG 4.31Å; M71-L101 HydrophobicContact SD-CD1 4.16Å; M71-L101 HydrophobicContact SD-CD2 3.69Å; M71-L101 HydrophobicContact SD-CG 3.68Å
72D96.8Very high94.3Very high91 Ų9158 Ų5849%0.48733%0.327SS..Hα-helixtrans-61.6-37.8175.9-68.8-22.6000111.2K68 K69 L70 K76K68-D72 IonicContact NZ-OD1 3.72Å; K68-D72 IonicContact NZ-OD2 3.44Å; K68-D72 PolarHBondContact NZ-OD2 2.85Å; K68-D72 VanDerWaalsContact O-CG 3.29Å; K68-D72 PolarHBondContact O-N 3.06Å; K69-D72 PolarHBondContact O-N 2.96Å; L70-D72 VanDerWaalsContact C-N 3.3Å; L70-D72 PolarHBondContact O-N 3.39Å; D72-K76 PolarHBondContact O-N 3.26Å
73H96.2Very high94.6Very high37 Ų3757.3 Ų57.317%0.17131%0.309CS..Hα-helixtrans-72.8-44.9174.4-87.5-103.3000113.4D42 S45 K69 L70 M71 N75 K76D42-H73 IonicContact OD1-CE1 3.67Å; D42-H73 PolarHBondContact OD1-CE1 2.8Å; D42-H73 VanDerWaalsContact OD1-CE1 3.31Å; D42-H73 IonicContact OD1-ND1 3.85Å; D42-H73 PolarHBondContact OD1-ND1 3.12Å; S45-H73 PolarHBondContact OG-O 2.96Å; K69-H73 PolarHBondContact O-CD2 3.45Å; K69-H73 VanDerWaalsContact O-CD2 3.3Å; K69-H73 PolarHBondContact O-N 3.19Å; L70-H73 PolarHBondContact O-N 3.44Å; L70-H73 VanDerWaalsContact O-N 3.15Å; M71-H73 VanDerWaalsContact C-N 3.3Å; M71-H73 PolarHBondContact O-N 2.86Å; H73-N75 VanDerWaalsContact C-N 3.34Å; H73-K76 VanDerWaalsContact O-CB 3.27Å; H73-K76 WeakPolarHBondContact O-CB 3.42Å; H73-K76 PolarHBondContact O-N 3.3Å
74V96.8Very high94.8Very high0 Ų053.8 Ų53.80%029%0.29CS..Hα-helixtrans-68.7-35.2-176.2169.20000111.3S45 V48 Q49 L70 M71 K76 F81 L101S45-V74 WeakPolarHBondContact OG-CA 3.16Å; V48-V74 HydrophobicContact CB-CG2 4.08Å; V48-V74 HydrophobicContact CG1-CG1 3.96Å; V48-V74 HydrophobicContact CG1-CG2 3.72Å; Q49-V74 HydrophobicContact CG-CG1 4.34Å; Q49-V74 PolarHBondContact NE2-O 3.25Å; L70-V74 HydrophobicContact CD1-CG2 3.76Å; L70-V74 HydrophobicContact CG-CG2 4.12Å; L70-V74 WeakPolarHBondContact O-CB 3.5Å; L70-V74 VanDerWaalsContact O-CG2 3.31Å; L70-V74 WeakPolarHBondContact O-CG2 3.45Å; L70-V74 PolarHBondContact O-N 2.98Å; M71-V74 PolarHBondContact O-N 3.39Å; V74-K76 VanDerWaalsContact C-N 3.33Å; V74-F81 HydrophobicContact CG1-CB 3.95Å; V74-F81 HydrophobicContact CG1-CD1 4.25Å; V74-F81 HydrophobicContact CG1-CD2 3.26Å; V74-F81 HydrophobicContact CG1-CE2 3.67Å; V74-F81 HydrophobicContact CG1-CG 3.57Å; V74-F81 HydrophobicContact CG1-CZ 4.32Å; V74-L101 HydrophobicContact CG2-CD2 4.39Å
75N96.5Very high94.8Very high55 Ų5553.3 Ų53.329%0.29429%0.288SS..THydrogen-bonded Turntrans-9212.7177.8-68.6-28.1000113.5M71 H73 G77 S79 F81M71-N75 VanDerWaalsContact O-CB 3.28Å; M71-N75 WeakPolarHBondContact O-CB 3.46Å; M71-N75 PolarHBondContact O-N 2.83Å; H73-N75 VanDerWaalsContact C-N 3.34Å; N75-G77 PolarHBondContact O-N 3.17Å; N75-S79 PolarHBondContact OD1-O 3.46Å; N75-S79 VanDerWaalsContact OD1-O 3.11Å; N75-F81 PolarHBondContact ND2-O 3.21Å; N75-F81 WeakPolarHBondContact OD1-CB 3.48Å; N75-F81 PolarHBondContact OD1-N 3.31Å
76K89.2Confident94.9Very high164 Ų16452 Ų5271%0.71328%0.28SS*.SBendtrans-71.976.7173.1-165.6177.2178.9-178.40109.8D72 H73 V74D72-K76 PolarHBondContact O-N 3.26Å; H73-K76 VanDerWaalsContact O-CB 3.27Å; H73-K76 WeakPolarHBondContact O-CB 3.42Å; H73-K76 PolarHBondContact O-N 3.3Å; V74-K76 VanDerWaalsContact C-N 3.33Å
77G82.8Confident94.8Very high67 Ų6758.3 Ų58.369%0.69131%0.309SS*.SBendtrans151.3-145.2-177.800000112.6N75N75-G77 PolarHBondContact O-N 3.17Å
78S79.5Confident94.7Very high121 Ų12160.9 Ų60.985%0.84633%0.326SS*.SBendtrans-89.6-6.3176.8550000113.9Q80S78-Q80 PolarHBondContact O-N 2.87Å
79S80.6Confident94.6Very high25 Ų2555.8 Ų55.818%0.17530%0.304CS..  trans-65.3133.3176.7-72.90000110.6N75 R103N75-S79 PolarHBondContact OD1-O 3.46Å; N75-S79 VanDerWaalsContact OD1-O 3.11Å; S79-R103 PolarHBondContact OG-NH1 2.9Å
80Q93.3Very high94.3Very high128 Ų12853 Ų5360%0.59830%0.297SS*.  trans-117.182.2174.3-67.2-170.5-23.800109.4S78 Q104S78-Q80 PolarHBondContact O-N 2.87Å; Q80-Q104 PolarHBondContact O-N 2.83Å
81F98.1Very high93.8Very high6 Ų658.2 Ų58.23%0.02632%0.317CS..EExtended strand (participates in β ladder)trans-87139.9167.5-75.8-100.6000110.4V48 Q49 Y51 M71 V74 N75 L101 Y102 R103V48-F81 HydrophobicContact CG1-CE1 4.28Å; V48-F81 HydrophobicContact CG1-CZ 4.48Å; Q49-F81 HydrophobicContact CG-CE2 4.37Å; Y51-F81 WeakPolarHBondContact O-CZ 3.46Å; M71-F81 HydrophobicContact CE-CB 3.73Å; M71-F81 WeakPolarHBondContact CE-O 3.31Å; V74-F81 HydrophobicContact CG1-CB 3.95Å; V74-F81 HydrophobicContact CG1-CD1 4.25Å; V74-F81 HydrophobicContact CG1-CD2 3.26Å; V74-F81 HydrophobicContact CG1-CE2 3.67Å; V74-F81 HydrophobicContact CG1-CG 3.57Å; V74-F81 HydrophobicContact CG1-CZ 4.32Å; N75-F81 PolarHBondContact ND2-O 3.21Å; N75-F81 WeakPolarHBondContact OD1-CB 3.48Å; N75-F81 PolarHBondContact OD1-N 3.31Å; F81-L101 HydrophobicContact CD1-CB 4.21Å; F81-Y102 CarbonylContact C-O 3.58Å; F81-Y102 VanDerWaalsContact CA-O 3.26Å; F81-Y102 WeakPolarHBondContact CA-O 3.49Å; F81-R103 HydrophobicContact CD1-CG 4.06Å; F81-R103 HydrophobicContact CD2-CG 4.24Å; F81-R103 HydrophobicContact CE1-CG 3.59Å; F81-R103 HydrophobicContact CE2-CG 3.81Å; F81-R103 VanDerWaalsContact CE2-NH1 3.3Å; F81-R103 HydrophobicContact CG-CG 4.38Å; F81-R103 HydrophobicContact CZ-CG 3.46Å; F81-R103 VanDerWaalsContact CZ-CG 3.46Å
82S98.3Very high93.2Very high32 Ų3260.8 Ų60.822%0.22434%0.337CS..EExtended strand (participates in β ladder)trans-114.6175.8160.3-170.10000108.7Y102S82-Y102 PolarHBondContact N-O 2.87Å; S82-Y102 PolarHBondContact O-N 2.8Å; S82-Y102 PolarHBondContact OG-OH 2.82Å
83Y98.7Very high92.8Very high87 Ų8763.5 Ų63.534%0.34136%0.357SS..EExtended strand (participates in β ladder)trans-141.7159.7178.570.6-86.6000111.7T67 M71 V85 L99 F100T67-Y83 HydrophobicContact CG2-CD2 4.23Å; T67-Y83 HydrophobicContact CG2-CE2 4.14Å; M71-Y83 HydrophobicContact CE-CD1 4.07Å; M71-Y83 HydrophobicContact CG-CD1 3.65Å; M71-Y83 HydrophobicContact CG-CE1 3.97Å; M71-Y83 HydrophobicContact SD-CD1 3.79Å; M71-Y83 HydrophobicContact SD-CG 4.31Å; Y83-V85 HydrophobicContact CD2-CB 4.32Å; Y83-V85 HydrophobicContact CD2-CG1 4.37Å; Y83-V85 HydrophobicContact CE2-CG1 4.1Å; Y83-L99 HydrophobicContact CD2-CD1 3.75Å; Y83-L99 HydrophobicContact CG-CD1 4.15Å; Y83-F100 CarbonylContact C-O 3.59Å; Y83-F100 WeakPolarHBondContact CA-O 3.33Å; Y83-F100 WeakPolarHBondContact CB-O 3.36Å
84I98.8Very high92.5Very high34 Ų3466 Ų6617%0.17437%0.365CS..EExtended strand (participates in β ladder)trans-134.7137.6164.4-173.8171.1000107.8F100 Y102 V109 S112 F132 V134I84-F100 HydrophobicContact CG2-CB 3.8Å; I84-F100 HydrophobicContact CG2-CD2 4.34Å; I84-F100 HydrophobicContact CG2-CG 4.5Å; I84-F100 PolarHBondContact N-O 2.99Å; I84-F100 PolarHBondContact O-N 3.12Å; I84-Y102 HydrophobicContact CG2-CE1 4.42Å; I84-V109 HydrophobicContact CB-CG2 4.45Å; I84-V109 HydrophobicContact CD1-CG1 3.98Å; I84-V109 HydrophobicContact CG2-CG2 4.06Å; I84-S112 WeakPolarHBondContact CD1-OG 3.43Å; I84-F132 HydrophobicContact CD1-CE1 4.36Å; I84-F132 HydrophobicContact CD1-CZ 3.92Å; I84-F132 HydrophobicContact CG1-CE1 3.97Å; I84-F132 HydrophobicContact CG1-CZ 3.81Å; I84-F132 HydrophobicContact CG2-CE1 4.46Å; I84-V134 HydrophobicContact CG2-CG1 4.17Å; I84-V134 HydrophobicContact CG2-CG2 4.29Å
85V98.7Very high92.4Very high31 Ų3168.3 Ų68.319%0.18838%0.379CS..EExtended strand (participates in β ladder)trans-132.1143.5-171.666.90000110L64 Y83 R97 Y98 L99L64-V85 HydrophobicContact CD1-CG1 3.98Å; L64-V85 HydrophobicContact CD2-CG1 4.13Å; L64-V85 HydrophobicContact CD2-CG2 4.1Å; Y83-V85 HydrophobicContact CD2-CB 4.32Å; Y83-V85 HydrophobicContact CD2-CG1 4.37Å; Y83-V85 HydrophobicContact CE2-CG1 4.1Å; V85-R97 HydrophobicContact CG2-CB 3.93Å; V85-R97 HydrophobicContact CG2-CG 4.44Å; V85-Y98 WeakPolarHBondContact CA-O 3.45Å; V85-L99 HydrophobicContact CB-CD1 3.9Å; V85-L99 HydrophobicContact CG2-CB 4.33Å; V85-L99 HydrophobicContact CG2-CD1 4.08Å
86S98.6Very high92.5Very high1 Ų165.9 Ų65.91%0.00737%0.366CS..PPolyproline II helixtrans-74.5168.8173.2730000111.6R97 Y98S86-R97 PolarHBondContact O-NH1 2.91Å; S86-R97 WeakPolarHBondContact OG-CA 3.38Å; S86-Y98 PolarHBondContact N-O 2.78Å; S86-Y98 PolarHBondContact OG-N 3.03Å
87E97Very high92.9Very high131 Ų13159.1 Ų59.161%0.61234%0.336SS*.PPolyproline II helixtrans-63.2166.2158.9-62.5-54.316000111.4L89 R97E87-L89 WeakPolarHBondContact O-CG 3.11Å; E87-L89 PolarHBondContact O-N 3.24Å; E87-R97 VanDerWaalsContact CA-NH1 3.34Å; E87-R97 IonicContact OE2-NH1 2.75Å
88P96.8Very high93.7Very high55 Ų5556.1 Ų56.136%0.35730%0.304SS..PPolyproline II helixtrans-64.4128.5169.8-13.629.4000109.6T95 R97P88-T95 HydrophobicContact CB-CG2 4.38Å; P88-R97 VanDerWaalsContact CD-NH1 3.32Å
89L95.5Very high94.6Very high14 Ų1450.3 Ų50.37%0.07326%0.264CS..BIsolated β-bridgetrans-118.8140.3-177.7-56.2167.1000109.2E87 T95 E96 Y98 T114 R129 E130E87-L89 WeakPolarHBondContact O-CG 3.11Å; E87-L89 PolarHBondContact O-N 3.24Å; L89-T95 CarbonylContact O-C 3.57Å; L89-T95 WeakPolarHBondContact O-CA 3.28Å; L89-T95 WeakPolarHBondContact O-CB 3.3Å; L89-E96 PolarHBondContact N-O 2.86Å; L89-E96 PolarHBondContact O-N 3.12Å; L89-Y98 HydrophobicContact CD1-CD2 3.63Å; L89-Y98 HydrophobicContact CD1-CE2 3.7Å; L89-T114 HydrophobicContact CD2-CG2 4Å; L89-R129 HydrophobicContact CB-CB 4.02Å; L89-R129 HydrophobicContact CB-CG 4.09Å; L89-E130 WeakPolarHBondContact CD1-O 3.26Å; L89-E130 WeakPolarHBondContact CD2-OE2 3.21Å
90G92.8Very high95.5Very high18 Ų1849.1 Ų49.119%0.18626%0.255CS..  trans147.3134.6-175.500000112.1S92 M128G90-S92 PolarHBondContact O-N 2.79Å; G90-S92 VanDerWaalsContact O-N 3.09Å; G90-M128 VanDerWaalsContact CA-O 3.24Å; G90-M128 WeakPolarHBondContact CA-O 3.42Å
91R87.4Confident95.8Very high110 Ų11043 Ų4342%0.41523%0.227SC..SBendtrans-71.81179.7-61.8-178.7-179.9178.72.5115.3D125 T126 F127 M128R91-D125 IonicContact CZ-OD2 3.12Å; R91-D125 IonicContact NE-OD2 2.81Å; R91-D125 PolarHBondContact NE-OD2 2.66Å; R91-D125 PolarHBondContact NH2-O 3.01Å; R91-D125 IonicContact NH2-OD1 3.64Å; R91-D125 IonicContact NH2-OD2 2.74Å; R91-D125 PolarHBondContact NH2-OD2 2.93Å; R91-T126 PolarHBondContact NH2-O 3.42Å; R91-F127 PolarHBondContact NE-O 3.43Å; R91-F127 PolarHBondContact NH2-O 3.12Å; R91-F127 VanDerWaalsContact NH2-O 3.08Å; R91-M128 HydrophobicContact CB-SD 3.9Å; R91-M128 HydrophobicContact CG-SD 3.89Å
92S85.9Confident95.8Very high70 Ų7044 Ų4449%0.4923%0.23SC..SBendtrans-138-175.1-173.878.80000111G90 Y94 T95G90-S92 PolarHBondContact O-N 2.79Å; G90-S92 VanDerWaalsContact O-N 3.09Å; S92-Y94 PolarHBondContact O-N 2.83Å; S92-Y94 WeakPolarHBondContact OG-CB 3.33Å; S92-Y94 PolarHBondContact OG-N 3.31Å; S92-Y94 PolarHBondContact OG-O 3.5Å; S92-T95 WeakPolarHBondContact O-CG2 3.49Å
93T87.2Confident95.7Very high148 Ų14845 Ų4591%0.90823%0.229SC*.SBendtrans-65.5-17.1170.954.90000112.8T95T93-T95 PolarHBondContact O-N 2.9Å
94Y89.5Confident95.6Very high90 Ų9045.6 Ų45.635%0.35324%0.235SC..  trans-83104.1167.6-171-77.1000108.7S92 E96S92-Y94 PolarHBondContact O-N 2.83Å; S92-Y94 WeakPolarHBondContact OG-CB 3.33Å; S92-Y94 PolarHBondContact OG-N 3.31Å; S92-Y94 PolarHBondContact OG-O 3.5Å; Y94-E96 HydrophobicContact CE1-CG 3.96Å; Y94-E96 WeakPolarHBondContact CE1-OE1 3.35Å
95T95.7Very high95.4Very high47 Ų4747.3 Ų47.329%0.28825%0.254SS..  trans-121.1156.2175.558.40000111.4P88 L89 S92 T93P88-T95 HydrophobicContact CB-CG2 4.38Å; L89-T95 CarbonylContact O-C 3.57Å; L89-T95 WeakPolarHBondContact O-CA 3.28Å; L89-T95 WeakPolarHBondContact O-CB 3.3Å; S92-T95 WeakPolarHBondContact O-CG2 3.49Å; T93-T95 PolarHBondContact O-N 2.9Å
96E97.9Very high95.2Very high5 Ų546.8 Ų46.82%0.02325%0.252CS..BIsolated β-bridgetrans-133.3162.9176.9-66.2171.1-146.400110.3E58 V59 R60 L89 Y94 R129 H152E58-E96 WeakPolarHBondContact CA-OE2 3.27Å; V59-E96 CarbonylContact O-C 3.48Å; V59-E96 WeakPolarHBondContact O-CA 3.23Å; R60-E96 HydrophobicContact CG-CG 4.21Å; L89-E96 PolarHBondContact N-O 2.86Å; L89-E96 PolarHBondContact O-N 3.12Å; Y94-E96 HydrophobicContact CE1-CG 3.96Å; Y94-E96 WeakPolarHBondContact CE1-OE1 3.35Å; E96-R129 IonicContact OE1-CZ 3.42Å; E96-R129 IonicContact OE1-NH1 3.58Å; E96-R129 PolarHBondContact OE1-NH1 2.78Å; E96-R129 WeakPolarHBondContact OE2-CD 3.12Å; E96-R129 IonicContact OE2-CZ 3.97Å; E96-R129 IonicContact OE2-NE 2.78Å; E96-R129 IonicContact OE2-NH1 3.49Å; E96-H152 IonicContact OE1-CE1 2.96Å; E96-H152 IonicContact OE1-ND1 3.23Å; E96-H152 IonicContact OE2-CE1 4Å; E96-H152 PolarHBondContact OE2-CE1 2.83Å; E96-H152 IonicContact OE2-CG 3.71Å; E96-H152 IonicContact OE2-ND1 2.77Å; E96-H152 PolarHBondContact OE2-ND1 2.89Å
97R98.6Very high95.1Very high22 Ų2246.9 Ų46.98%0.08325%0.253CS..EExtended strand (participates in β ladder)trans-116.7150.9170.8-58177.3179.3-90.34.5110.5V59 D61 S62 V85 S86 E87 P88V59-R97 HydrophobicContact CB-CB 4.07Å; V59-R97 WeakPolarHBondContact CB-O 3.34Å; V59-R97 HydrophobicContact CG1-CB 4.21Å; V59-R97 PolarHBondContact O-N 2.7Å; D61-R97 PolarHBondContact O-NE 3.15Å; S62-R97 PolarHBondContact O-NH2 3.43Å; V85-R97 HydrophobicContact CG2-CB 3.93Å; V85-R97 HydrophobicContact CG2-CG 4.44Å; S86-R97 PolarHBondContact O-NH1 2.91Å; S86-R97 WeakPolarHBondContact OG-CA 3.38Å; E87-R97 VanDerWaalsContact CA-NH1 3.34Å; E87-R97 IonicContact OE2-NH1 2.75Å; P88-R97 VanDerWaalsContact CD-NH1 3.32Å
98Y98.9Very high95.2Very high3 Ų343.8 Ų43.81%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-88.6128.7159.8-64.4-59000109.1L55 Q57 V85 S86 L89 R129 E130 F132 P150 Q151 H152L55-Y98 HydrophobicContact CD1-CD1 4.15Å; Q57-Y98 HydrophobicContact CG-CD1 4.17Å; Q57-Y98 HydrophobicContact CG-CE1 4.31Å; V85-Y98 WeakPolarHBondContact CA-O 3.45Å; S86-Y98 PolarHBondContact N-O 2.78Å; S86-Y98 PolarHBondContact OG-N 3.03Å; L89-Y98 HydrophobicContact CD1-CD2 3.63Å; L89-Y98 HydrophobicContact CD1-CE2 3.7Å; Y98-R129 HydrophobicContact CE2-CB 4.36Å; Y98-R129 PolarHBondContact OH-O 3.3Å; Y98-E130 WeakPolarHBondContact CE2-O 3.33Å; Y98-F132 HydrophobicContact CD2-CB 3.71Å; Y98-F132 HydrophobicContact CG-CB 4.34Å; Y98-P150 HydrophobicContact CD1-CB 3.82Å; Y98-P150 HydrophobicContact CD1-CG 4.25Å; Y98-P150 HydrophobicContact CD2-CB 4.37Å; Y98-P150 HydrophobicContact CD2-CG 3.92Å; Y98-P150 HydrophobicContact CE1-CB 4.13Å; Y98-P150 HydrophobicContact CE2-CG 4.33Å; Y98-P150 HydrophobicContact CG-CB 3.95Å; Y98-P150 HydrophobicContact CG-CG 3.86Å; Y98-Q151 PolarHBondContact OH-OE1 2.96Å; Y98-H152 HydrophobicContact CE1-CB 3.89Å; Y98-H152 PolarHBondContact OH-N 3.06Å
99L98.9Very high95.3Very high0 Ų043.1 Ų43.10%024%0.24CC..EExtended strand (participates in β ladder)trans-124115.9-179.3173.364.2000109.7L55 I56 V59 T67 Y83 V85 L101L55-L99 CarbonylContact C-O 3.55Å; I56-L99 HydrophobicContact CB-CB 4.28Å; I56-L99 HydrophobicContact CB-CD2 4.49Å; I56-L99 HydrophobicContact CD1-CD2 4.36Å; I56-L99 PolarHBondContact N-O 3.27Å; I56-L99 PolarHBondContact O-N 2.91Å; V59-L99 HydrophobicContact CG2-CB 3.84Å; V59-L99 HydrophobicContact CG2-CD2 4.24Å; T67-L99 HydrophobicContact CG2-CD1 3.9Å; T67-L99 HydrophobicContact CG2-CD2 3.87Å; Y83-L99 HydrophobicContact CD2-CD1 3.75Å; Y83-L99 HydrophobicContact CG-CD1 4.15Å; V85-L99 HydrophobicContact CB-CD1 3.9Å; V85-L99 HydrophobicContact CG2-CB 4.33Å; V85-L99 HydrophobicContact CG2-CD1 4.08Å; L99-L101 HydrophobicContact CD1-CD1 3.68Å; L99-L101 HydrophobicContact CD2-CD1 3.62Å; L99-L101 HydrophobicContact CG-CD1 3.4Å; L99-L101 VanDerWaalsContact CG-CD1 3.4Å
100F98.9Very high95.4Very high0 Ų046 Ų460%026%0.258CS..EExtended strand (participates in β ladder)trans-97.5122.3169.9-70.9-81.3000109.9V53 V54 L55 Y83 I84 F132 V134 F136 L148 P150V53-F100 HydrophobicContact CG1-CD1 4.3Å; V54-F100 WeakPolarHBondContact O-CA 3.49Å; L55-F100 HydrophobicContact CB-CD1 3.99Å; L55-F100 HydrophobicContact CB-CE1 3.68Å; L55-F100 HydrophobicContact CB-CZ 4.4Å; L55-F100 HydrophobicContact CD1-CD1 4.28Å; L55-F100 HydrophobicContact CD1-CD2 4.48Å; L55-F100 HydrophobicContact CD1-CE1 3.92Å; L55-F100 HydrophobicContact CD1-CE2 4.14Å; L55-F100 HydrophobicContact CD1-CZ 3.85Å; L55-F100 HydrophobicContact CG-CE1 4.27Å; Y83-F100 CarbonylContact C-O 3.59Å; Y83-F100 WeakPolarHBondContact CA-O 3.33Å; Y83-F100 WeakPolarHBondContact CB-O 3.36Å; I84-F100 HydrophobicContact CG2-CB 3.8Å; I84-F100 HydrophobicContact CG2-CD2 4.34Å; I84-F100 HydrophobicContact CG2-CG 4.5Å; I84-F100 PolarHBondContact N-O 2.99Å; I84-F100 PolarHBondContact O-N 3.12Å; F100-F132 HydrophobicContact CD2-CD1 4.26Å; F100-F132 HydrophobicContact CD2-CE1 4.44Å; F100-F132 HydrophobicContact CE2-CD1 4.19Å; F100-V134 HydrophobicContact CD2-CB 4.42Å; F100-V134 HydrophobicContact CD2-CG2 3.71Å; F100-V134 HydrophobicContact CE2-CB 4.27Å; F100-V134 HydrophobicContact CE2-CG2 3.64Å; F100-F136 HydrophobicContact CB-CZ 4.22Å; F100-F136 HydrophobicContact CG-CZ 4.43Å; F100-L148 HydrophobicContact CD1-CD1 4.04Å; F100-L148 HydrophobicContact CE1-CB 3.95Å; F100-L148 HydrophobicContact CE1-CD1 3.6Å; F100-L148 HydrophobicContact CE1-CG 4.44Å; F100-L148 HydrophobicContact CZ-CB 3.93Å; F100-L148 HydrophobicContact CZ-CD1 4.4Å; F100-P150 HydrophobicContact CE2-CB 4.28Å; F100-P150 HydrophobicContact CE2-CG 3.9Å; F100-P150 HydrophobicContact CZ-CB 3.88Å; F100-P150 HydrophobicContact CZ-CG 3.89Å
101L98.8Very high95.7Very high0 Ų048.9 Ų48.90%027%0.265CS..EExtended strand (participates in β ladder)trans-100.1138.2165.8-90.263.9000108.8V48 V53 V54 I56 L70 M71 V74 F81 L99V48-L101 HydrophobicContact CG1-CB 4.5Å; V48-L101 HydrophobicContact CG1-CD2 3.7Å; V53-L101 CarbonylContact C-O 3.6Å; V53-L101 WeakPolarHBondContact CA-O 3.27Å; V54-L101 HydrophobicContact CG1-CB 3.85Å; V54-L101 PolarHBondContact N-O 2.84Å; V54-L101 PolarHBondContact O-N 3.15Å; I56-L101 HydrophobicContact CD1-CD1 4.29Å; I56-L101 HydrophobicContact CD1-CD2 4.47Å; L70-L101 HydrophobicContact CD2-CD2 3.99Å; L70-L101 HydrophobicContact CG-CD2 4.23Å; M71-L101 HydrophobicContact SD-CD1 4.16Å; M71-L101 HydrophobicContact SD-CD2 3.69Å; M71-L101 HydrophobicContact SD-CG 3.68Å; V74-L101 HydrophobicContact CG2-CD2 4.39Å; F81-L101 HydrophobicContact CD1-CB 4.21Å; L99-L101 HydrophobicContact CD1-CD1 3.68Å; L99-L101 HydrophobicContact CD2-CD1 3.62Å; L99-L101 HydrophobicContact CG-CD1 3.4Å; L99-L101 VanDerWaalsContact CG-CD1 3.4Å
102Y98.6Very high96.3Very high27 Ų2746 Ų4611%0.10626%0.262CS..EExtended strand (participates in β ladder)trans-146.9145.4-179.262.1-86.9000113.3D52 F81 S82 I84 Q104 V107 V109 F136D52-Y102 CarbonylContact O-C 3.55Å; D52-Y102 WeakPolarHBondContact O-CA 3.42Å; F81-Y102 CarbonylContact C-O 3.58Å; F81-Y102 VanDerWaalsContact CA-O 3.26Å; F81-Y102 WeakPolarHBondContact CA-O 3.49Å; S82-Y102 PolarHBondContact N-O 2.87Å; S82-Y102 PolarHBondContact O-N 2.8Å; S82-Y102 PolarHBondContact OG-OH 2.82Å; I84-Y102 HydrophobicContact CG2-CE1 4.42Å; Y102-Q104 HydrophobicContact CE2-CG 4.45Å; Y102-Q104 PolarHBondContact O-N 2.87Å; Y102-V107 HydrophobicContact CD2-CG2 3.71Å; Y102-V107 HydrophobicContact CG-CG2 3.99Å; Y102-V109 HydrophobicContact CD1-CG2 4.37Å; Y102-V109 HydrophobicContact CE1-CG2 3.69Å; Y102-V109 HydrophobicContact CE2-CG2 4.42Å; Y102-F136 AromaticContact CD1-CE1 3.81Å; Y102-F136 HydrophobicContact CD1-CE1 3.81Å; Y102-F136 HydrophobicContact CD1-CZ 4.33Å; Y102-F136 HydrophobicContact CD2-CE1 4.41Å; Y102-F136 HydrophobicContact CE1-CE1 4.35Å; Y102-F136 AromaticContact CG-CE1 3.84Å; Y102-F136 HydrophobicContact CG-CE1 3.84Å
103R97.5Very high96.9Very high53 Ų5344 Ų4420%0.224%0.244CC..EExtended strand (participates in β ladder)trans-74.6118.3174.1-68-175.6179-82.93.9109.7Q49 Y51 D52 S79 F81 A105 S106 V107Q49-R103 PolarHBondContact O-NH2 2.78Å; Y51-R103 PolarHBondContact O-NE 3.47Å; Y51-R103 VanDerWaalsContact O-NE 3.08Å; D52-R103 PolarHBondContact O-N 3.2Å; S79-R103 PolarHBondContact OG-NH1 2.9Å; F81-R103 HydrophobicContact CD1-CG 4.06Å; F81-R103 HydrophobicContact CD2-CG 4.24Å; F81-R103 HydrophobicContact CE1-CG 3.59Å; F81-R103 HydrophobicContact CE2-CG 3.81Å; F81-R103 VanDerWaalsContact CE2-NH1 3.3Å; F81-R103 HydrophobicContact CG-CG 4.38Å; F81-R103 HydrophobicContact CZ-CG 3.46Å; F81-R103 VanDerWaalsContact CZ-CG 3.46Å; R103-A105 PolarHBondContact O-N 2.81Å; R103-S106 PolarHBondContact O-N 2.76Å; R103-V107 PolarHBondContact O-N 2.77Å; R103-V107 VanDerWaalsContact O-N 3.08Å
104Q95.9Very high97.4Very high99 Ų9939.5 Ų39.546%0.46322%0.216SC..THydrogen-bonded Turntrans-63-26.5-179.1-63.6-174.9-76.600112.7Q80 Y102 S106Q80-Q104 PolarHBondContact O-N 2.83Å; Y102-Q104 HydrophobicContact CE2-CG 4.45Å; Y102-Q104 PolarHBondContact O-N 2.87Å; Q104-S106 VanDerWaalsContact C-N 3.29Å
105A93.8Very high97.8Very high70 Ų7036.7 Ų36.758%0.57921%0.205SC*.THydrogen-bonded Turntrans-71.9-22.817500000113.3R103 Y140R103-A105 PolarHBondContact O-N 2.81Å; A105-Y140 WeakPolarHBondContact O-CE2 3.34Å; A105-Y140 PolarHBondContact O-OH 3.31Å
106S94.9Very high97.5Very high20 Ų2039.9 Ų39.914%0.1422%0.221CC..THydrogen-bonded Turntrans-99.6-39.7-173.4-53.20000112.4D52 R103 Q104 S138 Y140D52-S106 WeakPolarHBondContact OD1-CB 3.21Å; D52-S106 PolarHBondContact OD1-OG 3.06Å; R103-S106 PolarHBondContact O-N 2.76Å; Q104-S106 VanDerWaalsContact C-N 3.29Å; S106-S138 PolarHBondContact O-OG 3.31Å; S106-Y140 WeakPolarHBondContact O-CD2 3.34Å
107V97.4Very high97Very high3 Ų341.7 Ų41.72%0.01823%0.23CC..  trans-144.9166.1-175.8-58.20000113.4L20 V53 Y102 R103 F136 S137 F146L20-V107 HydrophobicContact CD1-CG1 3.26Å; V53-V107 HydrophobicContact CG2-CB 4.48Å; V53-V107 HydrophobicContact CG2-CG1 4.04Å; V53-V107 HydrophobicContact CG2-CG2 3.66Å; Y102-V107 HydrophobicContact CD2-CG2 3.71Å; Y102-V107 HydrophobicContact CG-CG2 3.99Å; R103-V107 PolarHBondContact O-N 2.77Å; R103-V107 VanDerWaalsContact O-N 3.08Å; V107-F136 HydrophobicContact CB-CD1 4.09Å; V107-F136 HydrophobicContact CG2-CD1 3.67Å; V107-F136 HydrophobicContact CG2-CE1 4.12Å; V107-S137 VanDerWaalsContact CA-O 3.23Å; V107-S137 WeakPolarHBondContact CA-O 3.22Å; V107-S137 WeakPolarHBondContact CB-O 3.48Å; V107-F146 HydrophobicContact CG1-CE1 4.48Å; V107-F146 HydrophobicContact CG1-CZ 4.22Å
108S98.2Very high96Very high66 Ų6642.2 Ų42.246%0.46224%0.243SC..EExtended strand (participates in β ladder)trans-136.2141.1167.6-59.90000110.6V110 F136 S137S108-V110 PolarHBondContact O-N 2.93Å; S108-F136 WeakPolarHBondContact O-CA 3.36Å; S108-S137 PolarHBondContact N-O 3.4Å; S108-S137 PolarHBondContact O-N 2.73Å; S108-S137 PolarHBondContact O-OG 2.91Å
109V98.7Very high94.8Very high41 Ų4144.2 Ų44.225%0.24826%0.257CS..EExtended strand (participates in β ladder)trans-68.3128.5172.1177.50000108.9I84 Y102 V134 F136I84-V109 HydrophobicContact CB-CG2 4.45Å; I84-V109 HydrophobicContact CD1-CG1 3.98Å; I84-V109 HydrophobicContact CG2-CG2 4.06Å; Y102-V109 HydrophobicContact CD1-CG2 4.37Å; Y102-V109 HydrophobicContact CE1-CG2 3.69Å; Y102-V109 HydrophobicContact CE2-CG2 4.42Å; V109-V134 HydrophobicContact CG1-CG1 3.93Å; V109-V134 HydrophobicContact CG2-CG1 4.24Å; V109-F136 HydrophobicContact CG2-CD1 4.07Å; V109-F136 HydrophobicContact CG2-CE1 3.54Å; V109-F136 HydrophobicContact CG2-CZ 4.06Å
110V98.6Very high93.7Very high73 Ų7349.2 Ų49.244%0.44228%0.28SS..EExtended strand (participates in β ladder)trans-92.3-49.5177.3179.70000110.3S108 M135S108-V110 PolarHBondContact O-N 2.93Å; V110-M135 HydrophobicContact CB-CB 4.33Å; V110-M135 HydrophobicContact CB-CG 4.08Å; V110-M135 HydrophobicContact CB-SD 4.28Å; V110-M135 HydrophobicContact CG1-SD 4.15Å; V110-M135 HydrophobicContact CG2-CG 4.37Å; V110-M135 PolarHBondContact N-O 3.04Å
111K98.6Very high92.5Very high79 Ų7955 Ų5534%0.34332%0.32SS..EExtended strand (participates in β ladder)trans-166.1158.8-178.754.2-174.4172176.50110.3M135 W176K111-M135 WeakPolarHBondContact CE-SD 3.46Å; K111-M135 HydrophobicContact CG-CB 4.02Å; K111-M135 HydrophobicContact CG-SD 4.36Å; K111-M135 PolarHBondContact O-N 3.3Å; K111-W176 HydrophobicContact CB-CZ2 4.36Å; K111-W176 HydrophobicContact CD-CD2 4.17Å; K111-W176 HydrophobicContact CD-CG 4.37Å; K111-W176 HydrophobicContact CD-CZ2 3.96Å; K111-W176 HydrophobicContact CG-CH2 4.12Å; K111-W176 HydrophobicContact CG-CZ2 3.72Å; K111-W176 VanDerWaalsContact NZ-CG 3.29Å
112S98.8Very high91.5Very high49 Ų4959 Ų5934%0.34335%0.348SS..EExtended strand (participates in β ladder)trans-147.1160.217757.60000111.3I84 V133I84-S112 WeakPolarHBondContact CD1-OG 3.43Å; S112-V133 CarbonylContact C-O 3.56Å; S112-V133 WeakPolarHBondContact CA-O 3.45Å; S112-V133 WeakPolarHBondContact CB-O 3.33Å
113Y98.7Very high90.3Very high30 Ų3061.1 Ų61.112%0.11838%0.377CS..EExtended strand (participates in β ladder)trans-158.9156.1168.170.9-67000109.4Y115 F132 V133 D171 V172 R175 W176Y113-Y115 HydrophobicContact CE2-CD2 4.44Å; Y113-F132 CarbonylContact O-C 3.54Å; Y113-V133 HydrophobicContact CD1-CB 3.87Å; Y113-V133 HydrophobicContact CD1-CG1 4.36Å; Y113-V133 HydrophobicContact CE1-CB 3.52Å; Y113-V133 HydrophobicContact CE1-CG1 3.71Å; Y113-V133 HydrophobicContact CE1-CG2 3.98Å; Y113-V133 PolarHBondContact N-O 3.09Å; Y113-V133 PolarHBondContact O-N 2.84Å; Y113-D171 VanDerWaalsContact CE2-OD2 3.27Å; Y113-D171 WeakPolarHBondContact CE2-OD2 3.5Å; Y113-D171 VanDerWaalsContact CZ-OD2 3.24Å; Y113-D171 PolarHBondContact OH-OD2 3.41Å; Y113-V172 HydrophobicContact CE1-CG2 4.5Å; Y113-V172 WeakPolarHBondContact OH-CG2 3.27Å; Y113-R175 VanDerWaalsContact CE2-NE 3.33Å; Y113-W176 AromaticContact CD1-CE2 3.86Å; Y113-W176 AromaticContact CD1-CH2 3.45Å; Y113-W176 HydrophobicContact CD1-CH2 3.45Å; Y113-W176 VanDerWaalsContact CD1-CH2 3.45Å; Y113-W176 AromaticContact CD1-CZ2 3.15Å; Y113-W176 HydrophobicContact CD1-CZ2 3.15Å; Y113-W176 HydrophobicContact CD1-CZ3 4.37Å; Y113-W176 HydrophobicContact CE1-CD2 4.25Å; Y113-W176 AromaticContact CE1-CE2 3.74Å; Y113-W176 HydrophobicContact CE1-CE3 4.33Å; Y113-W176 AromaticContact CE1-CH2 3.49Å; Y113-W176 HydrophobicContact CE1-CH2 3.49Å; Y113-W176 VanDerWaalsContact CE1-CH2 3.49Å; Y113-W176 AromaticContact CE1-CZ2 3.38Å; Y113-W176 HydrophobicContact CE1-CZ2 3.38Å; Y113-W176 AromaticContact CE1-CZ3 3.98Å; Y113-W176 HydrophobicContact CE1-CZ3 3.98Å; Y113-W176 HydrophobicContact CG-CZ2 4.34Å
114T98.3Very high89.4Confident53 Ų5362.6 Ų62.633%0.32539%0.393SS..EExtended strand (participates in β ladder)trans-88.8129165.8-51.10000107.8L89 E130L89-T114 HydrophobicContact CD2-CG2 4Å; T114-E130 HydrophobicContact CG2-CB 3.74Å
115Y97.4Very high89Confident30 Ų3058.4 Ų58.412%0.11837%0.373CS..  trans-65.4147.6172.1-178.6-107.1000109.9Y113 D117 F127 E130 P131 V168 D171Y113-Y115 HydrophobicContact CE2-CD2 4.44Å; Y115-D117 HydrophobicContact CD1-CB 4.49Å; Y115-D117 HydrophobicContact CE1-CB 3.61Å; Y115-F127 HydrophobicContact CD1-CD2 4.29Å; Y115-F127 HydrophobicContact CD1-CE2 4Å; Y115-F127 HydrophobicContact CE1-CD2 4.35Å; Y115-F127 AromaticContact CE1-CE2 3.83Å; Y115-F127 HydrophobicContact CE1-CE2 3.83Å; Y115-E130 VanDerWaalsContact O-CB 3.26Å; Y115-E130 WeakPolarHBondContact O-CB 3.35Å; Y115-P131 PolarHBondContact N-O 2.77Å; Y115-V168 HydrophobicContact CD1-CG2 3.76Å; Y115-V168 HydrophobicContact CD2-CG1 4.26Å; Y115-V168 HydrophobicContact CE1-CG2 3.72Å; Y115-V168 HydrophobicContact CG-CG1 4.13Å; Y115-V168 HydrophobicContact CG-CG2 4.16Å; Y115-D171 HydrophobicContact CD2-CB 4.16Å; Y115-D171 HydrophobicContact CE2-CB 3.7Å
116D90.7Very high89Confident115 Ų11557 Ų5762%0.61536%0.358SS*.  trans-143.3110.5-179.6176.2-2.1000106.1G118D116-G118 WeakPolarHBondContact OD1-CA 3.46Å; D116-G118 PolarHBondContact OD1-N 2.86Å; D116-G118 VanDerWaalsContact OD1-O 3.06Å
117D85.7Confident89Confident42 Ų4256.1 Ų56.123%0.22535%0.351CS..  trans-95.75.4177.165.8-5.1000113.2Y115 D125 T126Y115-D117 HydrophobicContact CD1-CB 4.49Å; Y115-D117 HydrophobicContact CE1-CB 3.61Å; D117-D125 WeakPolarHBondContact OD1-CA 3.4Å; D117-T126 PolarHBondContact OD1-N 3.23Å; D117-T126 WeakPolarHBondContact OD2-CA 3.46Å; D117-T126 WeakPolarHBondContact OD2-CB 3.36Å; D117-T126 PolarHBondContact OD2-N 3.15Å; D117-T126 PolarHBondContact OD2-OG1 2.93Å
118G79.4Confident88.9Confident34 Ų3458.5 Ų58.535%0.35136%0.363SS..SBendtrans138.9-149.7166.800000114.3D116 E120D116-G118 WeakPolarHBondContact OD1-CA 3.46Å; D116-G118 PolarHBondContact OD1-N 2.86Å; D116-G118 VanDerWaalsContact OD1-O 3.06Å; G118-E120 PolarHBondContact O-N 3.04Å
119C73.8Confident88.8Confident44 Ų4456.2 Ų56.230%0.29734%0.344SS..  trans-90.9112.8-163.8170.60000111.6S121 C122 G123 T124C119-S121 VanDerWaalsContact C-N 3.34Å; C119-S121 PolarHBondContact O-N 3.32Å; C119-S121 PolarHBondContact SG-OG 3.06Å; C119-C122 HydrophobicContact CB-CB 3.54Å; C119-C122 WeakPolarHBondContact CB-SG 3.47Å; C119-C122 PolarHBondContact O-N 2.91Å; C119-C122 VanDerWaalsContact O-N 3.14Å; C119-C122 WeakPolarHBondContact SG-CB 3.44Å; C119-C122 PolarHBondContact SG-N 2.85Å; C119-C122 CovalentContact SG-SG 2.06Å; C119-C122 PolarHBondContact SG-SG 2.8Å; C119-G123 PolarHBondContact O-N 2.94Å; C119-T124 PolarHBondContact N-OG1 3.18Å; C119-T124 PolarHBondContact O-N 2.93Å; C119-T124 PolarHBondContact O-OG1 2.78Å
120E75.8Confident88.7Confident106 Ų10655.3 Ų55.350%0.49534%0.337SS..G310 helixtrans-52.4-49.9171.9-71.5-176.9-130.700112G118 C122 G123 D125G118-E120 PolarHBondContact O-N 3.04Å; E120-C122 PolarHBondContact O-N 2.99Å; E120-C122 VanDerWaalsContact O-N 3.17Å; E120-G123 PolarHBondContact O-N 2.89Å; E120-G123 VanDerWaalsContact O-N 3.14Å; E120-D125 HydrophobicContact CG-CB 4.27Å
121S73.2Confident88.7Confident120 Ų12051.8 Ų51.884%0.83932%0.316SS*.G310 helixtrans-68.5-15.9-177.162.30000114.2C119C119-S121 VanDerWaalsContact C-N 3.34Å; C119-S121 PolarHBondContact O-N 3.32Å; C119-S121 PolarHBondContact SG-OG 3.06Å
122C77.7Confident88.7Confident86 Ų8648.7 Ų48.758%0.58130%0.302SS*.G310 helixtrans-94.4-7.5179.8-48.40000112.2C119 E120 T124C119-C122 HydrophobicContact CB-CB 3.54Å; C119-C122 WeakPolarHBondContact CB-SG 3.47Å; C119-C122 PolarHBondContact O-N 2.91Å; C119-C122 VanDerWaalsContact O-N 3.14Å; C119-C122 WeakPolarHBondContact SG-CB 3.44Å; C119-C122 PolarHBondContact SG-N 2.85Å; C119-C122 CovalentContact SG-SG 2.06Å; C119-C122 PolarHBondContact SG-SG 2.8Å; E120-C122 PolarHBondContact O-N 2.99Å; E120-C122 VanDerWaalsContact O-N 3.17Å; C122-T124 VanDerWaalsContact C-N 3.3Å; C122-T124 PolarHBondContact O-N 2.92Å
123G73.1Confident88.7Confident70 Ų7046.3 Ų46.372%0.72229%0.286SS*.THydrogen-bonded Turntrans73.218.1-179.500000114.6C119 E120C119-G123 PolarHBondContact O-N 2.94Å; E120-G123 PolarHBondContact O-N 2.89Å; E120-G123 VanDerWaalsContact O-N 3.14Å
124T79.4Confident88.7Confident85 Ų8544.9 Ų44.952%0.52128%0.28SS..  trans-98-12.217858.70000113.2C119 C122C119-T124 PolarHBondContact N-OG1 3.18Å; C119-T124 PolarHBondContact O-N 2.93Å; C119-T124 PolarHBondContact O-OG1 2.78Å; C122-T124 VanDerWaalsContact C-N 3.3Å; C122-T124 PolarHBondContact O-N 2.92Å
125D86.8Confident88.8Confident11 Ų1142.9 Ų42.96%0.05927%0.268CS..  trans-66.3133.7175.3165.939.2000110.1R91 D117 E120 F127R91-D125 IonicContact CZ-OD2 3.12Å; R91-D125 IonicContact NE-OD2 2.81Å; R91-D125 PolarHBondContact NE-OD2 2.66Å; R91-D125 PolarHBondContact NH2-O 3.01Å; R91-D125 IonicContact NH2-OD1 3.64Å; R91-D125 IonicContact NH2-OD2 2.74Å; R91-D125 PolarHBondContact NH2-OD2 2.93Å; D117-D125 WeakPolarHBondContact OD1-CA 3.4Å; E120-D125 HydrophobicContact CG-CB 4.27Å; D125-F127 PolarHBondContact OD1-N 3.33Å; D125-F127 VanDerWaalsContact OD1-N 3.11Å
126T93.4Very high88.8Confident41 Ų4141.5 Ų41.525%0.25226%0.262SS..  trans-94.3-35.3-177.8-48.50000112.4R91 D117 V160 A164R91-T126 PolarHBondContact NH2-O 3.42Å; D117-T126 PolarHBondContact OD1-N 3.23Å; D117-T126 WeakPolarHBondContact OD2-CA 3.46Å; D117-T126 WeakPolarHBondContact OD2-CB 3.36Å; D117-T126 PolarHBondContact OD2-N 3.15Å; D117-T126 PolarHBondContact OD2-OG1 2.93Å; T126-V160 HydrophobicContact CG2-CG1 3.65Å; T126-A164 HydrophobicContact CG2-CB 3.69Å
127F95.4Very high89.2Confident1 Ų137.9 Ų37.90%0.00425%0.246CC..  trans-93.6136.7-168.1-68.2-76000111.6R91 Y115 D125 R129 E130 P131 Q151 E161 A164 L165 V168R91-F127 PolarHBondContact NE-O 3.43Å; R91-F127 PolarHBondContact NH2-O 3.12Å; R91-F127 VanDerWaalsContact NH2-O 3.08Å; Y115-F127 HydrophobicContact CD1-CD2 4.29Å; Y115-F127 HydrophobicContact CD1-CE2 4Å; Y115-F127 HydrophobicContact CE1-CD2 4.35Å; Y115-F127 AromaticContact CE1-CE2 3.83Å; Y115-F127 HydrophobicContact CE1-CE2 3.83Å; D125-F127 PolarHBondContact OD1-N 3.33Å; D125-F127 VanDerWaalsContact OD1-N 3.11Å; F127-R129 VanDerWaalsContact C-N 3.28Å; F127-E130 HydrophobicContact CB-CG 4.46Å; F127-P131 HydrophobicContact CD1-CG 4.44Å; F127-P131 HydrophobicContact CE1-CG 4.23Å; F127-P131 HydrophobicContact CE2-CG 4.41Å; F127-P131 HydrophobicContact CZ-CG 4.2Å; F127-Q151 VanDerWaalsContact CD1-NE2 3.34Å; F127-E161 HydrophobicContact CD1-CB 3.99Å; F127-E161 HydrophobicContact CD1-CG 4.03Å; F127-E161 HydrophobicContact CE1-CB 4.08Å; F127-E161 WeakPolarHBondContact CE1-O 3.43Å; F127-A164 HydrophobicContact CE1-CB 4.16Å; F127-A164 HydrophobicContact CE2-CB 3.95Å; F127-A164 HydrophobicContact CZ-CB 3.52Å; F127-L165 HydrophobicContact CE1-CD2 3.99Å; F127-L165 HydrophobicContact CE1-CG 4.33Å; F127-L165 HydrophobicContact CZ-CD2 4.13Å; F127-V168 HydrophobicContact CE2-CG2 3.89Å; F127-V168 HydrophobicContact CZ-CG2 3.73Å
128M94.6Very high89.6Confident53 Ų5336.3 Ų36.326%0.26124%0.238SC..SBendtrans-68.6-34.6167.5-178.759.768.200111.4G90 R91 E161G90-M128 VanDerWaalsContact CA-O 3.24Å; G90-M128 WeakPolarHBondContact CA-O 3.42Å; R91-M128 HydrophobicContact CB-SD 3.9Å; R91-M128 HydrophobicContact CG-SD 3.89Å; M128-E161 WeakPolarHBondContact CB-OE1 3.31Å; M128-E161 PolarHBondContact N-OE1 2.84Å
129R96.3Very high90.1Very high17 Ų1744.3 Ų44.36%0.06426%0.263CS..SBendtrans-137.8110.4177.2-68.7164.9-67.4-108-7.6108L89 E96 Y98 F127 Q151 H152 T153L89-R129 HydrophobicContact CB-CB 4.02Å; L89-R129 HydrophobicContact CB-CG 4.09Å; E96-R129 IonicContact OE1-CZ 3.42Å; E96-R129 IonicContact OE1-NH1 3.58Å; E96-R129 PolarHBondContact OE1-NH1 2.78Å; E96-R129 WeakPolarHBondContact OE2-CD 3.12Å; E96-R129 IonicContact OE2-CZ 3.97Å; E96-R129 IonicContact OE2-NE 2.78Å; E96-R129 IonicContact OE2-NH1 3.49Å; Y98-R129 HydrophobicContact CE2-CB 4.36Å; Y98-R129 PolarHBondContact OH-O 3.3Å; F127-R129 VanDerWaalsContact C-N 3.28Å; R129-Q151 PolarHBondContact O-NE2 3.29Å; R129-Q151 PolarHBondContact O-OE1 2.89Å; R129-H152 VanDerWaalsContact CZ-O 3.26Å; R129-H152 PolarHBondContact NE-ND1 2.97Å; R129-H152 PolarHBondContact NE-O 3.48Å; R129-H152 PolarHBondContact NH2-CD2 3.35Å; R129-H152 PolarHBondContact NH2-ND1 2.95Å; R129-H152 PolarHBondContact NH2-O 2.96Å; R129-T153 PolarHBondContact NH2-O 3.32Å
130E97.2Very high90.6Very high22 Ų2247.6 Ų47.610%0.10327%0.27CS..  trans-67.2134.3-171.7-60.589152.600111.8L89 Y98 T114 Y115 F127 F132L89-E130 WeakPolarHBondContact CD1-O 3.26Å; L89-E130 WeakPolarHBondContact CD2-OE2 3.21Å; Y98-E130 WeakPolarHBondContact CE2-O 3.33Å; T114-E130 HydrophobicContact CG2-CB 3.74Å; Y115-E130 VanDerWaalsContact O-CB 3.26Å; Y115-E130 WeakPolarHBondContact O-CB 3.35Å; F127-E130 HydrophobicContact CB-CG 4.46Å; E130-F132 PolarHBondContact O-N 2.8Å; E130-F132 VanDerWaalsContact O-N 3.14Å
131P98.6Very high91.1Very high0 Ų043.2 Ų43.20%025%0.251CS..  trans-56.3120.1-177.9-27.433000113.8Y115 F127 V133 I149 L165 V168Y115-P131 PolarHBondContact N-O 2.77Å; F127-P131 HydrophobicContact CD1-CG 4.44Å; F127-P131 HydrophobicContact CE1-CG 4.23Å; F127-P131 HydrophobicContact CE2-CG 4.41Å; F127-P131 HydrophobicContact CZ-CG 4.2Å; P131-V133 HydrophobicContact CB-CG2 4.43Å; P131-V133 PolarHBondContact O-N 3.02Å; P131-I149 HydrophobicContact CB-CG2 3.81Å; P131-I149 HydrophobicContact CG-CG2 4.48Å; P131-L165 HydrophobicContact CG-CD2 4.02Å; P131-V168 HydrophobicContact CB-CG1 4.26Å; P131-V168 HydrophobicContact CG-CG1 4.4Å; P131-V168 HydrophobicContact CG-CG2 4.09Å
132F98.8Very high91.7Very high13 Ų1341.1 Ų41.16%0.05724%0.241CC..EExtended strand (participates in β ladder)trans-86.787.1173.2179.5-122.4000111.1I84 Y98 F100 Y113 E130 V134 P150I84-F132 HydrophobicContact CD1-CE1 4.36Å; I84-F132 HydrophobicContact CD1-CZ 3.92Å; I84-F132 HydrophobicContact CG1-CE1 3.97Å; I84-F132 HydrophobicContact CG1-CZ 3.81Å; I84-F132 HydrophobicContact CG2-CE1 4.46Å; Y98-F132 HydrophobicContact CD2-CB 3.71Å; Y98-F132 HydrophobicContact CG-CB 4.34Å; F100-F132 HydrophobicContact CD2-CD1 4.26Å; F100-F132 HydrophobicContact CD2-CE1 4.44Å; F100-F132 HydrophobicContact CE2-CD1 4.19Å; Y113-F132 CarbonylContact O-C 3.54Å; E130-F132 PolarHBondContact O-N 2.8Å; E130-F132 VanDerWaalsContact O-N 3.14Å; F132-V134 HydrophobicContact CD1-CG2 3.82Å; F132-V134 HydrophobicContact CE1-CG2 3.58Å; F132-V134 HydrophobicContact CZ-CG2 4.1Å; F132-P150 HydrophobicContact CB-CG 4.09Å; F132-P150 WeakPolarHBondContact O-CD 3.48Å; F132-P150 WeakPolarHBondContact O-CG 3.11Å
133V98.9Very high92.3Very high0 Ų038.4 Ų38.40%022%0.22CC..EExtended strand (participates in β ladder)trans-74.6127.9-172.6-173.10000111.2S112 Y113 P131 T147 L148 I149 V168 V172 W176S112-V133 CarbonylContact C-O 3.56Å; S112-V133 WeakPolarHBondContact CA-O 3.45Å; S112-V133 WeakPolarHBondContact CB-O 3.33Å; Y113-V133 HydrophobicContact CD1-CB 3.87Å; Y113-V133 HydrophobicContact CD1-CG1 4.36Å; Y113-V133 HydrophobicContact CE1-CB 3.52Å; Y113-V133 HydrophobicContact CE1-CG1 3.71Å; Y113-V133 HydrophobicContact CE1-CG2 3.98Å; Y113-V133 PolarHBondContact N-O 3.09Å; Y113-V133 PolarHBondContact O-N 2.84Å; P131-V133 HydrophobicContact CB-CG2 4.43Å; P131-V133 PolarHBondContact O-N 3.02Å; V133-T147 HydrophobicContact CG1-CG2 3.4Å; V133-T147 VanDerWaalsContact CG1-CG2 3.4Å; V133-L148 WeakPolarHBondContact CA-O 3.45Å; V133-I149 HydrophobicContact CG1-CG1 4.11Å; V133-I149 HydrophobicContact CG2-CG1 4.25Å; V133-I149 HydrophobicContact CG2-CG2 4.49Å; V133-V168 HydrophobicContact CG2-CG1 4.22Å; V133-V172 HydrophobicContact CG1-CG2 3.85Å; V133-V172 HydrophobicContact CG2-CG2 4.38Å; V133-W176 HydrophobicContact CB-CH2 4.38Å; V133-W176 HydrophobicContact CG1-CE3 4.44Å; V133-W176 HydrophobicContact CG1-CH2 3.81Å; V133-W176 HydrophobicContact CG1-CZ3 3.52Å
134V98.9Very high93.3Very high0 Ų039.1 Ų39.10%021%0.212CC..EExtended strand (participates in β ladder)trans-129.2127.1-180-172.10000111I84 F100 V109 F132 F136 T147 L148I84-V134 HydrophobicContact CG2-CG1 4.17Å; I84-V134 HydrophobicContact CG2-CG2 4.29Å; F100-V134 HydrophobicContact CD2-CB 4.42Å; F100-V134 HydrophobicContact CD2-CG2 3.71Å; F100-V134 HydrophobicContact CE2-CB 4.27Å; F100-V134 HydrophobicContact CE2-CG2 3.64Å; V109-V134 HydrophobicContact CG1-CG1 3.93Å; V109-V134 HydrophobicContact CG2-CG1 4.24Å; F132-V134 HydrophobicContact CD1-CG2 3.82Å; F132-V134 HydrophobicContact CE1-CG2 3.58Å; F132-V134 HydrophobicContact CZ-CG2 4.1Å; V134-F136 HydrophobicContact CB-CD2 4.45Å; V134-F136 HydrophobicContact CB-CE2 3.83Å; V134-F136 HydrophobicContact CB-CZ 4.47Å; V134-F136 HydrophobicContact CG1-CD2 3.95Å; V134-F136 HydrophobicContact CG1-CE1 4.48Å; V134-F136 HydrophobicContact CG1-CE2 3.38Å; V134-F136 HydrophobicContact CG1-CZ 3.7Å; V134-T147 WeakPolarHBondContact O-CA 3.45Å; V134-L148 PolarHBondContact N-O 3.18Å; V134-L148 PolarHBondContact O-N 3.1Å
135M98.9Very high94.2Very high11 Ų1137 Ų375%0.05420%0.2CC..EExtended strand (participates in β ladder)trans-95.1127170.5-177.9178.5-75.100110.4V110 K111 T147 W176 T178V110-M135 HydrophobicContact CB-CB 4.33Å; V110-M135 HydrophobicContact CB-CG 4.08Å; V110-M135 HydrophobicContact CB-SD 4.28Å; V110-M135 HydrophobicContact CG1-SD 4.15Å; V110-M135 HydrophobicContact CG2-CG 4.37Å; V110-M135 PolarHBondContact N-O 3.04Å; K111-M135 WeakPolarHBondContact CE-SD 3.46Å; K111-M135 HydrophobicContact CG-CB 4.02Å; K111-M135 HydrophobicContact CG-SD 4.36Å; K111-M135 PolarHBondContact O-N 3.3Å; M135-T147 WeakPolarHBondContact CE-OG1 3.32Å; M135-W176 HydrophobicContact CB-CE3 4.3Å; M135-W176 HydrophobicContact CB-CH2 4.28Å; M135-W176 HydrophobicContact CB-CZ3 3.82Å; M135-W176 HydrophobicContact CE-CB 4.11Å; M135-W176 HydrophobicContact CE-CD2 4.17Å; M135-W176 HydrophobicContact CE-CE3 3.67Å; M135-W176 HydrophobicContact CE-CG 4.4Å; M135-W176 HydrophobicContact CE-CZ3 4.34Å; M135-T178 HydrophobicContact CE-CG2 3.68Å
136F98.8Very high94.7Very high0 Ų036.6 Ų36.60%020%0.197CC..EExtended strand (participates in β ladder)trans-106.5153.6172.5-69.7-91.2000110.8V53 F100 Y102 V107 S108 V109 V134 T145 F146 L148V53-F136 HydrophobicContact CG1-CE1 4.45Å; V53-F136 HydrophobicContact CG1-CE2 4.24Å; V53-F136 HydrophobicContact CG1-CZ 4.06Å; F100-F136 HydrophobicContact CB-CZ 4.22Å; F100-F136 HydrophobicContact CG-CZ 4.43Å; Y102-F136 AromaticContact CD1-CE1 3.81Å; Y102-F136 HydrophobicContact CD1-CE1 3.81Å; Y102-F136 HydrophobicContact CD1-CZ 4.33Å; Y102-F136 HydrophobicContact CD2-CE1 4.41Å; Y102-F136 HydrophobicContact CE1-CE1 4.35Å; Y102-F136 AromaticContact CG-CE1 3.84Å; Y102-F136 HydrophobicContact CG-CE1 3.84Å; V107-F136 HydrophobicContact CB-CD1 4.09Å; V107-F136 HydrophobicContact CG2-CD1 3.67Å; V107-F136 HydrophobicContact CG2-CE1 4.12Å; S108-F136 WeakPolarHBondContact O-CA 3.36Å; V109-F136 HydrophobicContact CG2-CD1 4.07Å; V109-F136 HydrophobicContact CG2-CE1 3.54Å; V109-F136 HydrophobicContact CG2-CZ 4.06Å; V134-F136 HydrophobicContact CB-CD2 4.45Å; V134-F136 HydrophobicContact CB-CE2 3.83Å; V134-F136 HydrophobicContact CB-CZ 4.47Å; V134-F136 HydrophobicContact CG1-CD2 3.95Å; V134-F136 HydrophobicContact CG1-CE1 4.48Å; V134-F136 HydrophobicContact CG1-CE2 3.38Å; V134-F136 HydrophobicContact CG1-CZ 3.7Å; F136-T145 WeakPolarHBondContact O-CA 3.42Å; F136-T145 WeakPolarHBondContact O-CB 3.38Å; F136-F146 HydrophobicContact CB-CD2 4.32Å; F136-F146 HydrophobicContact CB-CE1 4.1Å; F136-F146 HydrophobicContact CB-CE2 3.79Å; F136-F146 HydrophobicContact CB-CZ 3.67Å; F136-F146 HydrophobicContact CD2-CE2 4.18Å; F136-F146 HydrophobicContact CG-CE2 4.23Å; F136-F146 HydrophobicContact CG-CZ 4.34Å; F136-F146 PolarHBondContact N-O 3.23Å; F136-F146 PolarHBondContact O-N 2.97Å; F136-F146 VanDerWaalsContact O-N 3.07Å; F136-L148 HydrophobicContact CD2-CD1 3.9Å; F136-L148 HydrophobicContact CD2-CG 4.03Å; F136-L148 HydrophobicContact CE2-CD1 3.7Å; F136-L148 HydrophobicContact CE2-CG 4.17Å
137S97.8Very high95Very high39 Ų3934.6 Ų34.627%0.27319%0.185SC..EExtended strand (participates in β ladder)trans-115.5144.2166.358.70000110V107 S108 P144V107-S137 VanDerWaalsContact CA-O 3.23Å; V107-S137 WeakPolarHBondContact CA-O 3.22Å; V107-S137 WeakPolarHBondContact CB-O 3.48Å; S108-S137 PolarHBondContact N-O 3.4Å; S108-S137 PolarHBondContact O-N 2.73Å; S108-S137 PolarHBondContact O-OG 2.91Å; S137-P144 VanDerWaalsContact CA-O 3.27Å; S137-P144 WeakPolarHBondContact CA-O 3.33Å
138S95.4Very high95.1Very high10 Ų1034.6 Ų34.67%0.0719%0.185CC..  trans-143.1147.6173.7-167.50000111S106 Y140 T141 P144S106-S138 PolarHBondContact O-OG 3.31Å; S138-Y140 PolarHBondContact OG-N 2.98Å; S138-T141 WeakPolarHBondContact CB-OG1 3.4Å; S138-P144 PolarHBondContact N-O 3.21Å
139K89.6Confident95.3Very high202 Ų20232 Ų3288%0.87817%0.172SC*.SBendtrans-94.9-5.3171.6-62.3-179.7-177.9175.70112.5
140Y85.1Confident95.5Very high112 Ų11231.2 Ų31.244%0.43917%0.169SC..SBendtrans-100.5-9.2-175.8-54.6-76.1000112.9A105 S106 S138A105-Y140 WeakPolarHBondContact O-CE2 3.34Å; A105-Y140 PolarHBondContact O-OH 3.31Å; S106-Y140 WeakPolarHBondContact O-CD2 3.34Å; S138-Y140 PolarHBondContact OG-N 2.98Å
141T85.6Confident95.5Very high15 Ų1530.2 Ų30.29%0.09216%0.164CC..SBendtrans-105.1148.6176.853.30000111.2L20 S138 L143 L276 T277L20-T141 HydrophobicContact CB-CG2 3.94Å; L20-T141 HydrophobicContact CD1-CG2 4.43Å; S138-T141 WeakPolarHBondContact CB-OG1 3.4Å; T141-L143 WeakPolarHBondContact CB-O 3.31Å; T141-L143 PolarHBondContact O-N 2.91Å; T141-L143 PolarHBondContact OG1-O 3.17Å; T141-L276 HydrophobicContact CG2-CB 3.86Å; T141-T277 CarbonylContact C-O 3.44Å; T141-T277 VanDerWaalsContact CA-C 3.45Å; T141-T277 WeakPolarHBondContact CA-O 3.01Å; T141-T277 VanDerWaalsContact CA-OXT 3.29Å; T141-T277 WeakPolarHBondContact CA-OXT 3.09Å
142A86.3Confident95.5Very high76 Ų7630.7 Ų30.763%0.62817%0.167SC*.SBendtrans-61.5-32.317500000111.2T277A142-T277 WeakPolarHBondContact CB-O 3.19Å; A142-T277 PolarHBondContact N-O 3.17Å; A142-T277 PolarHBondContact N-OXT 3.2Å
143L90.4Very high95.5Very high28 Ų2830 Ų3015%0.14716%0.164CC..SBendtrans-89.9117.6169.1-59.4177.6000109T141 T145 N180 M238T141-L143 WeakPolarHBondContact CB-O 3.31Å; T141-L143 PolarHBondContact O-N 2.91Å; T141-L143 PolarHBondContact OG1-O 3.17Å; L143-T145 PolarHBondContact O-N 3.33Å; L143-N180 HydrophobicContact CD1-CB 4.33Å; L143-M238 HydrophobicContact CD1-CE 3.9Å; L143-M238 HydrophobicContact CD1-SD 3.7Å
144P93.1Very high95.4Very high85 Ų8530.8 Ų30.855%0.55217%0.169SC*.SBendtrans-69.6-22.3-174.427.3-35.2000113.2S137 S138S137-P144 VanDerWaalsContact CA-O 3.27Å; S137-P144 WeakPolarHBondContact CA-O 3.33Å; S138-P144 PolarHBondContact N-O 3.21Å
145T97.4Very high95.2Very high42 Ų4233.1 Ų33.126%0.25818%0.184SC..EExtended strand (participates in β ladder)trans-138.1147.1174.259.50000110.7F136 L143 N180F136-T145 WeakPolarHBondContact O-CA 3.42Å; F136-T145 WeakPolarHBondContact O-CB 3.38Å; L143-T145 PolarHBondContact O-N 3.33Å; T145-N180 WeakPolarHBondContact O-CB 3.42Å; T145-N180 PolarHBondContact O-ND2 3.07Å
146F98.3Very high95.1Very high1 Ų141.6 Ų41.60%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-143.2146.7172.559-89.2000109.6L20 V107 F136 L148 N180 M238 L276L20-F146 HydrophobicContact CD1-CE1 4.29Å; L20-F146 HydrophobicContact CD1-CZ 4.15Å; L20-F146 HydrophobicContact CD2-CZ 4.46Å; V107-F146 HydrophobicContact CG1-CE1 4.48Å; V107-F146 HydrophobicContact CG1-CZ 4.22Å; F136-F146 HydrophobicContact CB-CD2 4.32Å; F136-F146 HydrophobicContact CB-CE1 4.1Å; F136-F146 HydrophobicContact CB-CE2 3.79Å; F136-F146 HydrophobicContact CB-CZ 3.67Å; F136-F146 HydrophobicContact CD2-CE2 4.18Å; F136-F146 HydrophobicContact CG-CE2 4.23Å; F136-F146 HydrophobicContact CG-CZ 4.34Å; F136-F146 PolarHBondContact N-O 3.23Å; F136-F146 PolarHBondContact O-N 2.97Å; F136-F146 VanDerWaalsContact O-N 3.07Å; F146-L148 HydrophobicContact CD2-CD2 3.72Å; F146-L148 HydrophobicContact CD2-CG 4.11Å; F146-L148 HydrophobicContact CE2-CD1 4.27Å; F146-L148 HydrophobicContact CE2-CD2 3.93Å; F146-L148 HydrophobicContact CE2-CG 4.09Å; F146-N180 CarbonylContact C-O 3.56Å; F146-N180 WeakPolarHBondContact CA-O 3.42Å; F146-M238 HydrophobicContact CB-CE 4.11Å; F146-M238 HydrophobicContact CB-SD 3.78Å; F146-L276 HydrophobicContact CD1-CD1 4.34Å; F146-L276 HydrophobicContact CD2-CD1 4.3Å; F146-L276 HydrophobicContact CE1-CD1 4.39Å; F146-L276 HydrophobicContact CE2-CD1 4.34Å; F146-L276 HydrophobicContact CG-CD1 4.3Å; F146-L276 HydrophobicContact CZ-CD1 4.38Å
147T98.8Very high94.9Very high0 Ų043.7 Ų43.70%024%0.238CC..EExtended strand (participates in β ladder)trans-109.1128.6-178.8-680000109.6V133 V134 M135 I149 V172 W176 N180 I181 V182V133-T147 HydrophobicContact CG1-CG2 3.4Å; V133-T147 VanDerWaalsContact CG1-CG2 3.4Å; V134-T147 WeakPolarHBondContact O-CA 3.45Å; M135-T147 WeakPolarHBondContact CE-OG1 3.32Å; T147-I149 HydrophobicContact CG2-CG1 4.35Å; T147-V172 HydrophobicContact CG2-CG1 3.98Å; T147-W176 HydrophobicContact CG2-CE3 4.14Å; T147-W176 HydrophobicContact CG2-CZ3 3.73Å; T147-N180 PolarHBondContact N-O 2.89Å; T147-I181 WeakPolarHBondContact O-CA 3.31Å; T147-V182 PolarHBondContact O-N 3.13Å
148L98.9Very high94.9Very high0 Ų041.9 Ų41.90%023%0.226CC..EExtended strand (participates in β ladder)trans-101.2127174.9-57.1-170.9000109.4L22 V53 F100 V133 V134 F136 F146 V182 L184L22-L148 HydrophobicContact CD1-CD1 3.66Å; L22-L148 HydrophobicContact CD1-CD2 4.21Å; L22-L148 HydrophobicContact CD2-CD2 3.75Å; V53-L148 HydrophobicContact CG1-CD1 3.77Å; F100-L148 HydrophobicContact CD1-CD1 4.04Å; F100-L148 HydrophobicContact CE1-CB 3.95Å; F100-L148 HydrophobicContact CE1-CD1 3.6Å; F100-L148 HydrophobicContact CE1-CG 4.44Å; F100-L148 HydrophobicContact CZ-CB 3.93Å; F100-L148 HydrophobicContact CZ-CD1 4.4Å; V133-L148 WeakPolarHBondContact CA-O 3.45Å; V134-L148 PolarHBondContact N-O 3.18Å; V134-L148 PolarHBondContact O-N 3.1Å; F136-L148 HydrophobicContact CD2-CD1 3.9Å; F136-L148 HydrophobicContact CD2-CG 4.03Å; F136-L148 HydrophobicContact CE2-CD1 3.7Å; F136-L148 HydrophobicContact CE2-CG 4.17Å; F146-L148 HydrophobicContact CD2-CD2 3.72Å; F146-L148 HydrophobicContact CD2-CG 4.11Å; F146-L148 HydrophobicContact CE2-CD1 4.27Å; F146-L148 HydrophobicContact CE2-CD2 3.93Å; F146-L148 HydrophobicContact CE2-CG 4.09Å; L148-V182 CarbonylContact C-O 3.53Å; L148-V182 WeakPolarHBondContact CA-O 3.35Å; L148-V182 HydrophobicContact CD2-CB 3.72Å; L148-V182 HydrophobicContact CD2-CG1 4.3Å; L148-V182 HydrophobicContact CD2-CG2 4.11Å; L148-L184 HydrophobicContact CB-CD2 4.05Å; L148-L184 HydrophobicContact CD2-CD2 4.43Å
149I98.9Very high95.1Very high0 Ų042.1 Ų42.10%023%0.227CC..EExtended strand (participates in β ladder)trans-112.999.3173.6-57.8175.5000106.8P131 V133 T147 L165 V168 V169 V172 I181 V182 L183 L184P131-I149 HydrophobicContact CB-CG2 3.81Å; P131-I149 HydrophobicContact CG-CG2 4.48Å; V133-I149 HydrophobicContact CG1-CG1 4.11Å; V133-I149 HydrophobicContact CG2-CG1 4.25Å; V133-I149 HydrophobicContact CG2-CG2 4.49Å; T147-I149 HydrophobicContact CG2-CG1 4.35Å; I149-L165 HydrophobicContact CG2-CD2 4.24Å; I149-V168 HydrophobicContact CD1-CG1 4.09Å; I149-V168 HydrophobicContact CG2-CG1 3.89Å; I149-V169 HydrophobicContact CD1-CG2 3.93Å; I149-V172 HydrophobicContact CD1-CG2 3.99Å; I149-V172 HydrophobicContact CG1-CG2 4.48Å; I149-I181 HydrophobicContact CD1-CG2 3.45Å; I149-I181 VanDerWaalsContact CD1-CG2 3.45Å; I149-I181 HydrophobicContact CG1-CG2 4.03Å; I149-V182 PolarHBondContact N-O 3.43Å; I149-L183 HydrophobicContact CB-CB 4.48Å; I149-L183 HydrophobicContact CB-CD2 4.43Å; I149-L183 HydrophobicContact CB-CG 4.15Å; I149-L183 HydrophobicContact CD1-CD2 4.33Å; I149-L183 HydrophobicContact CD1-CG 4.24Å; I149-L183 HydrophobicContact CG2-CD2 4.36Å; I149-L183 WeakPolarHBondContact O-CA 3.48Å; I149-L184 PolarHBondContact O-N 3.43Å; I149-L184 VanDerWaalsContact O-N 3.08Å
150P98.8Very high95.5Very high0 Ų036.2 Ų36.20%021%0.207CC..EExtended strand (participates in β ladder)trans-72.7144.2176.633.1-34.1000109.8L55 Y98 F100 F132 L184L55-P150 HydrophobicContact CD1-CB 3.67Å; L55-P150 HydrophobicContact CD2-CB 3.45Å; L55-P150 VanDerWaalsContact CD2-CB 3.45Å; L55-P150 HydrophobicContact CG-CB 4.21Å; Y98-P150 HydrophobicContact CD1-CB 3.82Å; Y98-P150 HydrophobicContact CD1-CG 4.25Å; Y98-P150 HydrophobicContact CD2-CB 4.37Å; Y98-P150 HydrophobicContact CD2-CG 3.92Å; Y98-P150 HydrophobicContact CE1-CB 4.13Å; Y98-P150 HydrophobicContact CE2-CG 4.33Å; Y98-P150 HydrophobicContact CG-CB 3.95Å; Y98-P150 HydrophobicContact CG-CG 3.86Å; F100-P150 HydrophobicContact CE2-CB 4.28Å; F100-P150 HydrophobicContact CE2-CG 3.9Å; F100-P150 HydrophobicContact CZ-CB 3.88Å; F100-P150 HydrophobicContact CZ-CG 3.89Å; F132-P150 HydrophobicContact CB-CG 4.09Å; F132-P150 WeakPolarHBondContact O-CD 3.48Å; F132-P150 WeakPolarHBondContact O-CG 3.11Å; P150-L184 WeakPolarHBondContact CA-O 3.36Å
151Q98.8Very high96.1Very high0 Ų031 Ų310%019%0.187CC..  trans-144.6129.1164-17459.810.100112.1Q57 Y98 F127 R129 T153 E161 L165 L184 G185 D186 F187Q57-Q151 PolarHBondContact NE2-O 3.03Å; Y98-Q151 PolarHBondContact OH-OE1 2.96Å; F127-Q151 VanDerWaalsContact CD1-NE2 3.34Å; R129-Q151 PolarHBondContact O-NE2 3.29Å; R129-Q151 PolarHBondContact O-OE1 2.89Å; Q151-T153 HydrophobicContact CG-CG2 3.58Å; Q151-E161 PolarHBondContact NE2-OE2 3.07Å; Q151-L165 HydrophobicContact CB-CD1 4.03Å; Q151-L165 HydrophobicContact CB-CD2 4.03Å; Q151-L165 HydrophobicContact CG-CD1 4.19Å; Q151-L165 HydrophobicContact CG-CD2 4.17Å; Q151-L165 HydrophobicContact CG-CG 4.49Å; Q151-L184 PolarHBondContact N-O 2.76Å; Q151-G185 CarbonylContact O-C 3.6Å; Q151-G185 WeakPolarHBondContact O-CA 3.47Å; Q151-D186 PolarHBondContact O-N 3.5Å; Q151-F187 HydrophobicContact CB-CD1 3.98Å; Q151-F187 HydrophobicContact CB-CE1 3.65Å; Q151-F187 HydrophobicContact CB-CZ 4.47Å; Q151-F187 HydrophobicContact CG-CD1 4.47Å; Q151-F187 WeakPolarHBondContact O-CD1 3.35Å
152H98.6Very high96.7Very high10 Ų1030.3 Ų30.35%0.04618%0.183CC..  trans-113.7102.6162.8177.5-157.6000106.4Q57 E58 E96 Y98 R129 D186Q57-H152 HydrophobicContact CB-CB 4.39Å; E58-H152 VanDerWaalsContact CG-CE1 3.48Å; E58-H152 WeakPolarHBondContact CG-CE1 3.43Å; E58-H152 IonicContact OE1-CE1 2.96Å; E96-H152 IonicContact OE1-CE1 2.96Å; E96-H152 IonicContact OE1-ND1 3.23Å; E96-H152 IonicContact OE2-CE1 4Å; E96-H152 PolarHBondContact OE2-CE1 2.83Å; E96-H152 IonicContact OE2-CG 3.71Å; E96-H152 IonicContact OE2-ND1 2.77Å; E96-H152 PolarHBondContact OE2-ND1 2.89Å; Y98-H152 HydrophobicContact CE1-CB 3.89Å; Y98-H152 PolarHBondContact OH-N 3.06Å; R129-H152 VanDerWaalsContact CZ-O 3.26Å; R129-H152 PolarHBondContact NE-ND1 2.97Å; R129-H152 PolarHBondContact NE-O 3.48Å; R129-H152 PolarHBondContact NH2-CD2 3.35Å; R129-H152 PolarHBondContact NH2-ND1 2.95Å; R129-H152 PolarHBondContact NH2-O 2.96Å; H152-D186 CarbonylContact C-O 3.6Å; H152-D186 VanDerWaalsContact CA-O 3.24Å; H152-D186 WeakPolarHBondContact CA-O 3.37Å; H152-D186 IonicContact CD2-OD2 3.93Å; H152-D186 IonicContact NE2-OD2 2.77Å
153T98.1Very high97.3Very high0 Ų028.1 Ų28.10%016%0.16CC..  trans-78.1153.6-174.759.10000112.5R129 Q151 E161 D186 F187 N188R129-T153 PolarHBondContact NH2-O 3.32Å; Q151-T153 HydrophobicContact CG-CG2 3.58Å; T153-E161 WeakPolarHBondContact CA-OE2 3.5Å; T153-E161 HydrophobicContact CG2-CB 3.75Å; T153-D186 PolarHBondContact N-O 3.09Å; T153-F187 PolarHBondContact OG1-O 2.87Å; T153-N188 PolarHBondContact O-ND2 3.38Å; T153-N188 VanDerWaalsContact O-ND2 3.15Å; T153-N188 WeakPolarHBondContact OG1-CB 3.01Å; T153-N188 PolarHBondContact OG1-ND2 3.14Å
154S96.4Very high97.7Very high16 Ų1627.1 Ų27.111%0.11216%0.157CC..  trans-66131.4161.41780000109.9E156 S157 A158 E161S154-E156 PolarHBondContact O-N 3.1Å; S154-S157 CarbonylContact O-C 3.55Å; S154-S157 PolarHBondContact O-N 2.86Å; S154-A158 PolarHBondContact O-N 3.08Å; S154-E161 VanDerWaalsContact CB-OE1 3.31Å; S154-E161 WeakPolarHBondContact CB-OE1 3.43Å; S154-E161 PolarHBondContact N-OE1 3.17Å; S154-E161 VanDerWaalsContact N-OE1 3.13Å; S154-E161 PolarHBondContact N-OE2 2.9Å
155P95.8Very high97.9Very high48 Ų4823.1 Ų23.131%0.31213%0.13SC..G310 helixtrans-56.7-35.6178-25.933.6000113.6S157 Y193P155-S157 VanDerWaalsContact C-N 3.26Å; P155-S157 PolarHBondContact O-N 2.88Å; P155-Y193 HydrophobicContact CB-CD1 3.87Å; P155-Y193 HydrophobicContact CB-CD2 4.27Å; P155-Y193 HydrophobicContact CB-CE1 3.68Å; P155-Y193 HydrophobicContact CB-CE2 4.06Å; P155-Y193 HydrophobicContact CB-CG 4.17Å
156E95.3Very high98Very high190 Ų19024 Ų2489%0.88813%0.129SC*.G310 helixtrans-72-20.5179.1-62.5-175.517900113.1S154S154-E156 PolarHBondContact O-N 3.1Å
157S96.1Very high98Very high44 Ų4426.7 Ų26.731%0.30814%0.144SC..G310 helixtrans-118.914.1-177.3-580000112.8S154 P155 V159 V160 E161S154-S157 CarbonylContact O-C 3.55Å; S154-S157 PolarHBondContact O-N 2.86Å; P155-S157 VanDerWaalsContact C-N 3.26Å; P155-S157 PolarHBondContact O-N 2.88Å; S157-V159 VanDerWaalsContact C-N 3.3Å; S157-V159 PolarHBondContact O-N 2.98Å; S157-V160 PolarHBondContact O-N 3.04Å; S157-E161 PolarHBondContact O-N 2.99Å
158A97.8Very high98Very high1 Ų126.7 Ų26.71%0.00814%0.144CC..Hα-helixtrans-54-43.3-170.700000112.9S154 V160 T162 N188 V194S154-A158 PolarHBondContact O-N 3.08Å; A158-V160 PolarHBondContact O-N 2.87Å; A158-T162 WeakPolarHBondContact O-CB 3.44Å; A158-T162 PolarHBondContact O-N 3.44Å; A158-T162 PolarHBondContact O-OG1 3.08Å; A158-N188 HydrophobicContact CB-CB 3.89Å; A158-V194 HydrophobicContact CB-CG2 4.1Å
159V98.3Very high98Very high14 Ų1426.7 Ų26.79%0.08514%0.144CC..Hα-helixtrans-61.4-44.5176.7178.40000111.8S157 D163 V194 E198 R201 I202S157-V159 VanDerWaalsContact C-N 3.3Å; S157-V159 PolarHBondContact O-N 2.98Å; V159-D163 WeakPolarHBondContact O-CB 3.44Å; V159-D163 PolarHBondContact O-N 3Å; V159-D163 VanDerWaalsContact O-N 3.08Å; V159-V194 HydrophobicContact CG2-CB 4.45Å; V159-V194 HydrophobicContact CG2-CG1 4.31Å; V159-V194 HydrophobicContact CG2-CG2 3.99Å; V159-E198 HydrophobicContact CG1-CB 4.46Å; V159-E198 HydrophobicContact CG2-CB 3.97Å; V159-E198 HydrophobicContact CG2-CG 4.38Å; V159-R201 HydrophobicContact CG1-CB 4.37Å; V159-I202 HydrophobicContact CG1-CD1 4.49Å; V159-I202 HydrophobicContact CG1-CG1 4.13Å
160V97.8Very high98Very high79 Ų7929.4 Ų29.448%0.47916%0.16SC..Hα-helixtrans-72.6-48.6-1751790000110.5T126 S157 A158 T162 D163 A164T126-V160 HydrophobicContact CG2-CG1 3.65Å; S157-V160 PolarHBondContact O-N 3.04Å; A158-V160 PolarHBondContact O-N 2.87Å; V160-T162 PolarHBondContact O-N 3.48Å; V160-D163 PolarHBondContact O-N 3.34Å; V160-A164 WeakPolarHBondContact O-CB 3.23Å; V160-A164 PolarHBondContact O-N 2.7Å
161E98.3Very high98Very high2 Ų231.2 Ų31.21%0.00917%0.17CC..Hα-helixtrans-65.3-40.6179.2-68-171.3-14800111.6F127 M128 Q151 T153 S154 S157 D163 A164 L165F127-E161 HydrophobicContact CD1-CB 3.99Å; F127-E161 HydrophobicContact CD1-CG 4.03Å; F127-E161 HydrophobicContact CE1-CB 4.08Å; F127-E161 WeakPolarHBondContact CE1-O 3.43Å; M128-E161 WeakPolarHBondContact CB-OE1 3.31Å; M128-E161 PolarHBondContact N-OE1 2.84Å; Q151-E161 PolarHBondContact NE2-OE2 3.07Å; T153-E161 WeakPolarHBondContact CA-OE2 3.5Å; T153-E161 HydrophobicContact CG2-CB 3.75Å; S154-E161 VanDerWaalsContact CB-OE1 3.31Å; S154-E161 WeakPolarHBondContact CB-OE1 3.43Å; S154-E161 PolarHBondContact N-OE1 3.17Å; S154-E161 VanDerWaalsContact N-OE1 3.13Å; S154-E161 PolarHBondContact N-OE2 2.9Å; S157-E161 PolarHBondContact O-N 2.99Å; E161-D163 VanDerWaalsContact C-N 3.34Å; E161-D163 PolarHBondContact O-N 3.43Å; E161-A164 PolarHBondContact O-N 3.03Å; E161-L165 PolarHBondContact O-N 2.76Å; E161-L165 VanDerWaalsContact O-N 3.16Å
162T98.6Very high97.9Very high0 Ų031.2 Ų31.20%017%0.17CC..Hα-helixtrans-66.4-35.6177.2-56.40000111.8A158 V160 F187 I202 L204 W212A158-T162 WeakPolarHBondContact O-CB 3.44Å; A158-T162 PolarHBondContact O-N 3.44Å; A158-T162 PolarHBondContact O-OG1 3.08Å; V160-T162 PolarHBondContact O-N 3.48Å; T162-F187 HydrophobicContact CG2-CD2 4.28Å; T162-I202 HydrophobicContact CG2-CD1 4.3Å; T162-I202 HydrophobicContact CG2-CG2 3.76Å; T162-L204 HydrophobicContact CG2-CD2 4.28Å; T162-W212 HydrophobicContact CG2-CH2 3.85Å; T162-W212 HydrophobicContact CG2-CZ2 4.21Å
163D98.6Very high97.9Very high30 Ų3034 Ų3416%0.1618%0.18CC..Hα-helixtrans-64.4-45.4172.1179.767000111.5V159 V160 E161 L165 Y166 R203V159-D163 WeakPolarHBondContact O-CB 3.44Å; V159-D163 PolarHBondContact O-N 3Å; V159-D163 VanDerWaalsContact O-N 3.08Å; V160-D163 PolarHBondContact O-N 3.34Å; E161-D163 VanDerWaalsContact C-N 3.34Å; E161-D163 PolarHBondContact O-N 3.43Å; D163-L165 PolarHBondContact O-N 3.16Å; D163-Y166 WeakPolarHBondContact O-CB 3.5Å; D163-Y166 PolarHBondContact O-N 3.04Å; D163-R203 VanDerWaalsContact OD1-CB 3.27Å; D163-R203 WeakPolarHBondContact OD1-CB 3.49Å; D163-R203 VanDerWaalsContact OD1-CG 3.28Å; D163-R203 WeakPolarHBondContact OD1-CG 3.42Å; D163-R203 IonicContact OD1-CZ 3.57Å; D163-R203 PolarHBondContact OD1-N 3.31Å; D163-R203 IonicContact OD1-NE 3.68Å; D163-R203 PolarHBondContact OD1-NE 3.1Å; D163-R203 VanDerWaalsContact OD1-NE 3.07Å; D163-R203 IonicContact OD1-NH2 2.75Å; D163-R203 IonicContact OD2-CZ 3.36Å; D163-R203 IonicContact OD2-NE 3.86Å; D163-R203 PolarHBondContact OD2-NE 3.27Å; D163-R203 VanDerWaalsContact OD2-NE 3.14Å; D163-R203 IonicContact OD2-NH2 3.6Å; D163-R203 PolarHBondContact OD2-NH2 2.84Å
164A98.4Very high97.9Very high8 Ų839.4 Ų39.47%0.06621%0.213CC..Hα-helixtrans-63.7-23.1-178.100000113.6T126 F127 V160 E161 Y166 D167 V168T126-A164 HydrophobicContact CG2-CB 3.69Å; F127-A164 HydrophobicContact CE1-CB 4.16Å; F127-A164 HydrophobicContact CE2-CB 3.95Å; F127-A164 HydrophobicContact CZ-CB 3.52Å; V160-A164 WeakPolarHBondContact O-CB 3.23Å; V160-A164 PolarHBondContact O-N 2.7Å; E161-A164 PolarHBondContact O-N 3.03Å; A164-Y166 PolarHBondContact O-N 3.38Å; A164-Y166 VanDerWaalsContact O-N 3.09Å; A164-D167 WeakPolarHBondContact O-CB 3.38Å; A164-D167 PolarHBondContact O-N 3.23Å; A164-V168 PolarHBondContact O-N 3.37Å
165L98.8Very high98Very high0 Ų045 Ų450%023%0.232CC..Hα-helixtrans-56-25.1170.7-71.9180000113.1F127 P131 I149 Q151 E161 D163 D167 V168 V169 L183 F187 L204F127-L165 HydrophobicContact CE1-CD2 3.99Å; F127-L165 HydrophobicContact CE1-CG 4.33Å; F127-L165 HydrophobicContact CZ-CD2 4.13Å; P131-L165 HydrophobicContact CG-CD2 4.02Å; I149-L165 HydrophobicContact CG2-CD2 4.24Å; Q151-L165 HydrophobicContact CB-CD1 4.03Å; Q151-L165 HydrophobicContact CB-CD2 4.03Å; Q151-L165 HydrophobicContact CG-CD1 4.19Å; Q151-L165 HydrophobicContact CG-CD2 4.17Å; Q151-L165 HydrophobicContact CG-CG 4.49Å; E161-L165 PolarHBondContact O-N 2.76Å; E161-L165 VanDerWaalsContact O-N 3.16Å; D163-L165 PolarHBondContact O-N 3.16Å; L165-D167 VanDerWaalsContact C-N 3.28Å; L165-D167 PolarHBondContact O-N 2.77Å; L165-V168 HydrophobicContact CD2-CG2 4.24Å; L165-V168 PolarHBondContact O-N 2.04Å; L165-V169 WeakPolarHBondContact O-CG2 3.44Å; L165-V169 PolarHBondContact O-N 3.41Å; L165-V169 VanDerWaalsContact O-N 3.07Å; L165-L183 HydrophobicContact CB-CD2 3.74Å; L165-L183 HydrophobicContact CD1-CD2 4.02Å; L165-L183 HydrophobicContact CD2-CD2 4.31Å; L165-L183 HydrophobicContact CG-CD2 4.25Å; L165-F187 HydrophobicContact CD1-CD2 4.34Å; L165-F187 HydrophobicContact CD1-CE1 4.23Å; L165-F187 HydrophobicContact CD1-CE2 3.83Å; L165-F187 HydrophobicContact CD1-CZ 3.77Å; L165-L204 HydrophobicContact CB-CD2 4.01Å; L165-L204 HydrophobicContact CD1-CD2 4.08Å
166Y98.7Very high98.2Very high61 Ų6144.3 Ų44.324%0.23922%0.223CC..Hα-helixtrans-58-41.3170.7-177.9-81.7000112D163 A164 V169 T170 R203 D207 F210D163-Y166 WeakPolarHBondContact O-CB 3.5Å; D163-Y166 PolarHBondContact O-N 3.04Å; A164-Y166 PolarHBondContact O-N 3.38Å; A164-Y166 VanDerWaalsContact O-N 3.09Å; Y166-V169 PolarHBondContact O-N 3.29Å; Y166-T170 PolarHBondContact O-N 3.36Å; Y166-T170 VanDerWaalsContact O-N 3.14Å; Y166-T170 PolarHBondContact O-OG1 3.46Å; Y166-T170 VanDerWaalsContact O-OG1 3.09Å; Y166-R203 HydrophobicContact CD2-CB 3.66Å; Y166-R203 HydrophobicContact CE2-CB 4.31Å; Y166-R203 HydrophobicContact CG-CB 3.82Å; Y166-D207 HydrophobicContact CE2-CB 4.35Å; Y166-F210 AromaticContact CD2-CE2 3.57Å; Y166-F210 HydrophobicContact CD2-CE2 3.57Å; Y166-F210 AromaticContact CD2-CZ 3.94Å; Y166-F210 HydrophobicContact CD2-CZ 3.94Å; Y166-F210 AromaticContact CE2-CE2 3.67Å; Y166-F210 HydrophobicContact CE2-CE2 3.67Å; Y166-F210 HydrophobicContact CE2-CZ 4.21Å
167D98.4Very high98.3Very high58 Ų5842.6 Ų42.631%0.3122%0.22SC..Hα-helixtrans-73.9-33-179-59.7-41.4000110.8A164 L165 V169 T170 D171 R203A164-D167 WeakPolarHBondContact O-CB 3.38Å; A164-D167 PolarHBondContact O-N 3.23Å; L165-D167 VanDerWaalsContact C-N 3.28Å; L165-D167 PolarHBondContact O-N 2.77Å; D167-V169 PolarHBondContact O-N 3.18Å; D167-T170 CarbonylContact O-C 3.43Å; D167-T170 WeakPolarHBondContact O-CA 3.32Å; D167-T170 WeakPolarHBondContact O-CB 3.44Å; D167-T170 PolarHBondContact O-N 3.29Å; D167-T170 VanDerWaalsContact O-N 3.11Å; D167-D171 PolarHBondContact O-N 2.73Å; D167-R203 IonicContact OD1-CZ 3.07Å; D167-R203 IonicContact OD1-NH1 3.58Å; D167-R203 PolarHBondContact OD1-NH1 2.63Å; D167-R203 IonicContact OD1-NH2 3.76Å; D167-R203 IonicContact OD2-CZ 3.83Å; D167-R203 IonicContact OD2-NH1 3.93Å; D167-R203 PolarHBondContact OD2-NH1 3.27Å; D167-R203 IonicContact OD2-NH2 3.54Å; D167-R203 PolarHBondContact OD2-NH2 3.3Å
168V98.6Very high98.4Very high0 Ų041.4 Ų41.40%021%0.211CC..Hα-helixtrans-61.7-43.6171.7-1710000111Y115 F127 P131 V133 I149 A164 L165 T170 D171 V172Y115-V168 HydrophobicContact CD1-CG2 3.76Å; Y115-V168 HydrophobicContact CD2-CG1 4.26Å; Y115-V168 HydrophobicContact CE1-CG2 3.72Å; Y115-V168 HydrophobicContact CG-CG1 4.13Å; Y115-V168 HydrophobicContact CG-CG2 4.16Å; F127-V168 HydrophobicContact CE2-CG2 3.89Å; F127-V168 HydrophobicContact CZ-CG2 3.73Å; P131-V168 HydrophobicContact CB-CG1 4.26Å; P131-V168 HydrophobicContact CG-CG1 4.4Å; P131-V168 HydrophobicContact CG-CG2 4.09Å; V133-V168 HydrophobicContact CG2-CG1 4.22Å; I149-V168 HydrophobicContact CD1-CG1 4.09Å; I149-V168 HydrophobicContact CG2-CG1 3.89Å; A164-V168 PolarHBondContact O-N 3.37Å; L165-V168 HydrophobicContact CD2-CG2 4.24Å; L165-V168 PolarHBondContact O-N 2.04Å; V168-T170 VanDerWaalsContact C-N 3.26Å; V168-T170 PolarHBondContact O-N 3.17Å; V168-D171 PolarHBondContact O-N 3.44Å; V168-V172 WeakPolarHBondContact O-CG2 3.17Å; V168-V172 PolarHBondContact O-N 3.44Å
169V98.8Very high98.4Very high0 Ų043 Ų430%022%0.22CC..Hα-helixtrans-61.1-38.4174172.90000111.2I149 L165 Y166 D167 V172 R173 I181 L183 F210 T235I149-V169 HydrophobicContact CD1-CG2 3.93Å; L165-V169 WeakPolarHBondContact O-CG2 3.44Å; L165-V169 PolarHBondContact O-N 3.41Å; L165-V169 VanDerWaalsContact O-N 3.07Å; Y166-V169 PolarHBondContact O-N 3.29Å; D167-V169 PolarHBondContact O-N 3.18Å; V169-V172 PolarHBondContact O-N 2.96Å; V169-R173 HydrophobicContact CG1-CG 4.49Å; V169-R173 WeakPolarHBondContact O-CB 3.47Å; V169-R173 VanDerWaalsContact O-CG 3.27Å; V169-R173 WeakPolarHBondContact O-CG 3.46Å; V169-R173 PolarHBondContact O-N 2.82Å; V169-I181 HydrophobicContact CG1-CD1 3.83Å; V169-I181 HydrophobicContact CG2-CG2 4.22Å; V169-L183 HydrophobicContact CG2-CD1 3.98Å; V169-L183 HydrophobicContact CG2-CD2 3.86Å; V169-L183 HydrophobicContact CG2-CG 4.27Å; V169-F210 HydrophobicContact CB-CE1 4.27Å; V169-F210 HydrophobicContact CB-CZ 4.38Å; V169-F210 HydrophobicContact CG1-CE1 3.95Å; V169-F210 HydrophobicContact CG1-CZ 4.11Å; V169-F210 HydrophobicContact CG2-CE1 3.99Å; V169-T235 HydrophobicContact CG1-CG2 4.12Å
170T98.4Very high98.4Very high56 Ų5643.6 Ų43.634%0.34422%0.222SC..Hα-helixtrans-66.2-40.5177-58.70000111.9Y166 D167 V168 R173 T174Y166-T170 PolarHBondContact O-N 3.36Å; Y166-T170 VanDerWaalsContact O-N 3.14Å; Y166-T170 PolarHBondContact O-OG1 3.46Å; Y166-T170 VanDerWaalsContact O-OG1 3.09Å; D167-T170 CarbonylContact O-C 3.43Å; D167-T170 WeakPolarHBondContact O-CA 3.32Å; D167-T170 WeakPolarHBondContact O-CB 3.44Å; D167-T170 PolarHBondContact O-N 3.29Å; D167-T170 VanDerWaalsContact O-N 3.11Å; V168-T170 VanDerWaalsContact C-N 3.26Å; V168-T170 PolarHBondContact O-N 3.17Å; T170-R173 PolarHBondContact O-N 3.15Å; T170-T174 PolarHBondContact O-N 3.04Å; T170-T174 PolarHBondContact O-OG1 2.98Å
171D98.5Very high98.4Very high38 Ų3839.9 Ų39.920%0.20320%0.2CC..Hα-helixtrans-62.5-47.9172.4176.878.8000111Y113 Y115 D167 V168 R173 T174 R175Y113-D171 VanDerWaalsContact CE2-OD2 3.27Å; Y113-D171 WeakPolarHBondContact CE2-OD2 3.5Å; Y113-D171 VanDerWaalsContact CZ-OD2 3.24Å; Y113-D171 PolarHBondContact OH-OD2 3.41Å; Y115-D171 HydrophobicContact CD2-CB 4.16Å; Y115-D171 HydrophobicContact CE2-CB 3.7Å; D167-D171 PolarHBondContact O-N 2.73Å; V168-D171 PolarHBondContact O-N 3.44Å; D171-R173 VanDerWaalsContact C-N 3.33Å; D171-R173 PolarHBondContact O-N 3.34Å; D171-T174 PolarHBondContact O-N 2.98Å; D171-T174 VanDerWaalsContact O-N 3.13Å; D171-R175 WeakPolarHBondContact O-CB 3.31Å; D171-R175 PolarHBondContact O-N 3.06Å; D171-R175 IonicContact OD1-CZ 3.64Å; D171-R175 IonicContact OD1-NE 3.74Å; D171-R175 IonicContact OD1-NH2 3.52Å; D171-R175 PolarHBondContact OD1-NH2 3.27Å; D171-R175 IonicContact OD2-CZ 3.69Å; D171-R175 IonicContact OD2-NE 3.75Å; D171-R175 PolarHBondContact OD2-NE 2.92Å; D171-R175 IonicContact OD2-NH2 2.96Å; D171-R175 PolarHBondContact OD2-NH2 2.87Å
172V98.6Very high98.5Very high0 Ų039.8 Ų39.80%020%0.199CC..Hα-helixtrans-58.1-44.9177.91720000111.6Y113 V133 T147 I149 V168 V169 T174 W176 T178 I181Y113-V172 HydrophobicContact CE1-CG2 4.5Å; Y113-V172 WeakPolarHBondContact OH-CG2 3.27Å; V133-V172 HydrophobicContact CG1-CG2 3.85Å; V133-V172 HydrophobicContact CG2-CG2 4.38Å; T147-V172 HydrophobicContact CG2-CG1 3.98Å; I149-V172 HydrophobicContact CD1-CG2 3.99Å; I149-V172 HydrophobicContact CG1-CG2 4.48Å; V168-V172 WeakPolarHBondContact O-CG2 3.17Å; V168-V172 PolarHBondContact O-N 3.44Å; V169-V172 PolarHBondContact O-N 2.96Å; V172-T174 VanDerWaalsContact C-N 3.32Å; V172-T174 PolarHBondContact O-N 2.71Å; V172-W176 HydrophobicContact CG1-CE3 4.06Å; V172-W176 WeakPolarHBondContact O-CB 3.46Å; V172-W176 PolarHBondContact O-N 3.07Å; V172-T178 HydrophobicContact CG1-CG2 3.92Å; V172-I181 HydrophobicContact CB-CD1 4.01Å; V172-I181 HydrophobicContact CG1-CD1 3.59Å; V172-I181 HydrophobicContact CG1-CG1 3.96Å
173R98.5Very high98.5Very high68 Ų6839.8 Ų39.826%0.25720%0.199SC..Hα-helixtrans-57.3-47.2176.4-77169176.2159.10.5111.2V169 T170 D171 N177 T178 N179 I181V169-R173 HydrophobicContact CG1-CG 4.49Å; V169-R173 WeakPolarHBondContact O-CB 3.47Å; V169-R173 VanDerWaalsContact O-CG 3.27Å; V169-R173 WeakPolarHBondContact O-CG 3.46Å; V169-R173 PolarHBondContact O-N 2.82Å; T170-R173 PolarHBondContact O-N 3.15Å; D171-R173 VanDerWaalsContact C-N 3.33Å; D171-R173 PolarHBondContact O-N 3.34Å; R173-N177 WeakPolarHBondContact O-CA 3.34Å; R173-N177 PolarHBondContact O-N 3.13Å; R173-T178 WeakPolarHBondContact CA-O 2.96Å; R173-T178 WeakPolarHBondContact CG-O 3.5Å; R173-N179 VanDerWaalsContact CZ-OD1 3.27Å; R173-N179 PolarHBondContact NE-OD1 2.87Å; R173-N179 PolarHBondContact NH2-OD1 3.43Å; R173-I181 HydrophobicContact CG-CD1 4.27Å
174T98.2Very high98.5Very high114 Ų11438.3 Ų38.370%0.69919%0.191SC*.Hα-helixtrans-69.5-47.5-178.2-55.80000111.7T170 D171 V172T170-T174 PolarHBondContact O-N 3.04Å; T170-T174 PolarHBondContact O-OG1 2.98Å; D171-T174 PolarHBondContact O-N 2.98Å; D171-T174 VanDerWaalsContact O-N 3.13Å; V172-T174 VanDerWaalsContact C-N 3.32Å; V172-T174 PolarHBondContact O-N 2.71Å
175R98.3Very high98.5Very high133 Ų13338 Ų3850%0.50219%0.188SC..Hα-helixtrans-71-41.1-173.7-171.8-173-67.3-99.8-9.4112.2Y113 D171Y113-R175 VanDerWaalsContact CE2-NE 3.33Å; D171-R175 WeakPolarHBondContact O-CB 3.31Å; D171-R175 PolarHBondContact O-N 3.06Å; D171-R175 IonicContact OD1-CZ 3.64Å; D171-R175 IonicContact OD1-NE 3.74Å; D171-R175 IonicContact OD1-NH2 3.52Å; D171-R175 PolarHBondContact OD1-NH2 3.27Å; D171-R175 IonicContact OD2-CZ 3.69Å; D171-R175 IonicContact OD2-NE 3.75Å; D171-R175 PolarHBondContact OD2-NE 2.92Å; D171-R175 IonicContact OD2-NH2 2.96Å; D171-R175 PolarHBondContact OD2-NH2 2.87Å
176W98.3Very high98.5Very high34 Ų3438 Ų3813%0.12919%0.189CC..Hα-helixtrans-117.8-0.5-169.7-68.8-11.3000114.7K111 Y113 V133 M135 T147 V172 T178K111-W176 HydrophobicContact CB-CZ2 4.36Å; K111-W176 HydrophobicContact CD-CD2 4.17Å; K111-W176 HydrophobicContact CD-CG 4.37Å; K111-W176 HydrophobicContact CD-CZ2 3.96Å; K111-W176 HydrophobicContact CG-CH2 4.12Å; K111-W176 HydrophobicContact CG-CZ2 3.72Å; K111-W176 VanDerWaalsContact NZ-CG 3.29Å; Y113-W176 AromaticContact CD1-CE2 3.86Å; Y113-W176 AromaticContact CD1-CH2 3.45Å; Y113-W176 HydrophobicContact CD1-CH2 3.45Å; Y113-W176 VanDerWaalsContact CD1-CH2 3.45Å; Y113-W176 AromaticContact CD1-CZ2 3.15Å; Y113-W176 HydrophobicContact CD1-CZ2 3.15Å; Y113-W176 HydrophobicContact CD1-CZ3 4.37Å; Y113-W176 HydrophobicContact CE1-CD2 4.25Å; Y113-W176 AromaticContact CE1-CE2 3.74Å; Y113-W176 HydrophobicContact CE1-CE3 4.33Å; Y113-W176 AromaticContact CE1-CH2 3.49Å; Y113-W176 HydrophobicContact CE1-CH2 3.49Å; Y113-W176 VanDerWaalsContact CE1-CH2 3.49Å; Y113-W176 AromaticContact CE1-CZ2 3.38Å; Y113-W176 HydrophobicContact CE1-CZ2 3.38Å; Y113-W176 AromaticContact CE1-CZ3 3.98Å; Y113-W176 HydrophobicContact CE1-CZ3 3.98Å; Y113-W176 HydrophobicContact CG-CZ2 4.34Å; V133-W176 HydrophobicContact CB-CH2 4.38Å; V133-W176 HydrophobicContact CG1-CE3 4.44Å; V133-W176 HydrophobicContact CG1-CH2 3.81Å; V133-W176 HydrophobicContact CG1-CZ3 3.52Å; M135-W176 HydrophobicContact CB-CE3 4.3Å; M135-W176 HydrophobicContact CB-CH2 4.28Å; M135-W176 HydrophobicContact CB-CZ3 3.82Å; M135-W176 HydrophobicContact CE-CB 4.11Å; M135-W176 HydrophobicContact CE-CD2 4.17Å; M135-W176 HydrophobicContact CE-CE3 3.67Å; M135-W176 HydrophobicContact CE-CG 4.4Å; M135-W176 HydrophobicContact CE-CZ3 4.34Å; T147-W176 HydrophobicContact CG2-CE3 4.14Å; T147-W176 HydrophobicContact CG2-CZ3 3.73Å; V172-W176 HydrophobicContact CG1-CE3 4.06Å; V172-W176 WeakPolarHBondContact O-CB 3.46Å; V172-W176 PolarHBondContact O-N 3.07Å; W176-T178 HydrophobicContact CB-CG2 3.98Å; W176-T178 PolarHBondContact O-N 2.9Å
177N97.9Very high98.5Very high154 Ų15435.1 Ų35.182%0.82418%0.177SC*.  trans50.346179.6-168.547.6000112.4R173R173-N177 WeakPolarHBondContact O-CA 3.34Å; R173-N177 PolarHBondContact O-N 3.13Å
178T97.9Very high98.5Very high19 Ų1932.7 Ų32.712%0.11716%0.164CC..  trans-133.6147.2177.9-177.80000110.6M135 V172 R173 W176 N180M135-T178 HydrophobicContact CE-CG2 3.68Å; V172-T178 HydrophobicContact CG1-CG2 3.92Å; R173-T178 WeakPolarHBondContact CA-O 2.96Å; R173-T178 WeakPolarHBondContact CG-O 3.5Å; W176-T178 HydrophobicContact CB-CG2 3.98Å; W176-T178 PolarHBondContact O-N 2.9Å; T178-N180 PolarHBondContact OG1-N 3.32Å; T178-N180 VanDerWaalsContact OG1-N 3.12Å
179N97.9Very high98.2Very high35 Ų3532.7 Ų32.719%0.18716%0.164CC..  trans-122.915.6168.8-164.745000111.1R173 I181 T235 D237R173-N179 VanDerWaalsContact CZ-OD1 3.27Å; R173-N179 PolarHBondContact NE-OD1 2.87Å; R173-N179 PolarHBondContact NH2-OD1 3.43Å; N179-I181 VanDerWaalsContact C-N 3.29Å; N179-I181 PolarHBondContact O-N 3.09Å; N179-I181 VanDerWaalsContact O-N 3.15Å; N179-T235 PolarHBondContact O-OG1 3.26Å; N179-D237 HydrophobicContact CB-CB 4.3Å; N179-D237 WeakPolarHBondContact CB-OD2 3.24Å; N179-D237 PolarHBondContact ND2-OD2 2.89Å
180N98.3Very high98Very high27 Ų2732.9 Ų32.914%0.14417%0.166CC..  trans-86.772.9173-63.4-13.1000108.8L143 T145 F146 T147 T178 M238L143-N180 HydrophobicContact CD1-CB 4.33Å; T145-N180 WeakPolarHBondContact O-CB 3.42Å; T145-N180 PolarHBondContact O-ND2 3.07Å; F146-N180 CarbonylContact C-O 3.56Å; F146-N180 WeakPolarHBondContact CA-O 3.42Å; T147-N180 PolarHBondContact N-O 2.89Å; T178-N180 PolarHBondContact OG1-N 3.32Å; T178-N180 VanDerWaalsContact OG1-N 3.12Å; N180-M238 HydrophobicContact CB-SD 3.97Å
181I98.9Very high97.8Very high0 Ų032.7 Ų32.70%017%0.166CC..EExtended strand (participates in β ladder)trans-119.1131.4-168.9-60.3164.7000110.8T147 I149 V169 V172 R173 N179 L183 T235 M238T147-I181 WeakPolarHBondContact O-CA 3.31Å; I149-I181 HydrophobicContact CD1-CG2 3.45Å; I149-I181 VanDerWaalsContact CD1-CG2 3.45Å; I149-I181 HydrophobicContact CG1-CG2 4.03Å; V169-I181 HydrophobicContact CG1-CD1 3.83Å; V169-I181 HydrophobicContact CG2-CG2 4.22Å; V172-I181 HydrophobicContact CB-CD1 4.01Å; V172-I181 HydrophobicContact CG1-CD1 3.59Å; V172-I181 HydrophobicContact CG1-CG1 3.96Å; R173-I181 HydrophobicContact CG-CD1 4.27Å; N179-I181 VanDerWaalsContact C-N 3.29Å; N179-I181 PolarHBondContact O-N 3.09Å; N179-I181 VanDerWaalsContact O-N 3.15Å; I181-L183 HydrophobicContact CG2-CD1 4.22Å; I181-L183 HydrophobicContact CG2-CG 4.46Å; I181-T235 HydrophobicContact CB-CG2 3.94Å; I181-T235 PolarHBondContact N-OG1 2.83Å; I181-T235 VanDerWaalsContact N-OG1 3.15Å; I181-T235 PolarHBondContact O-N 2.7Å; I181-T235 VanDerWaalsContact O-N 3.12Å; I181-T235 PolarHBondContact O-OG1 3.31Å; I181-M238 WeakPolarHBondContact O-CB 3.3Å; I181-M238 WeakPolarHBondContact O-CG 3.24Å
182V98.9Very high97.7Very high0 Ų038.3 Ų38.30%020%0.196CC..EExtended strand (participates in β ladder)trans-116.4125.4169.4-174.20000108.2L22 T147 L148 I149 I232 V233 V234 M238L22-V182 HydrophobicContact CD2-CB 4.49Å; L22-V182 HydrophobicContact CD2-CG1 3.94Å; L22-V182 HydrophobicContact CD2-CG2 4.43Å; T147-V182 PolarHBondContact O-N 3.13Å; L148-V182 CarbonylContact C-O 3.53Å; L148-V182 WeakPolarHBondContact CA-O 3.35Å; L148-V182 HydrophobicContact CD2-CB 3.72Å; L148-V182 HydrophobicContact CD2-CG1 4.3Å; L148-V182 HydrophobicContact CD2-CG2 4.11Å; I149-V182 PolarHBondContact N-O 3.43Å; V182-I232 HydrophobicContact CG1-CG2 3.83Å; V182-V233 CarbonylContact C-O 3.49Å; V182-V233 WeakPolarHBondContact CA-O 3.37Å; V182-V234 HydrophobicContact CB-CG1 4.34Å; V182-V234 HydrophobicContact CG1-CG1 4.06Å; V182-V234 HydrophobicContact CG2-CG1 4.02Å; V182-M238 HydrophobicContact CG2-CE 4.08Å; V182-M238 HydrophobicContact CG2-CG 3.57Å; V182-M238 HydrophobicContact CG2-SD 3.98Å
183L98.9Very high97.5Very high0 Ų042.6 Ų42.60%021%0.213CC..EExtended strand (participates in β ladder)trans-101.3134.9167.5-49.491.8000108.2I149 L165 V169 I181 F187 L204 I232 V233I149-L183 HydrophobicContact CB-CB 4.48Å; I149-L183 HydrophobicContact CB-CD2 4.43Å; I149-L183 HydrophobicContact CB-CG 4.15Å; I149-L183 HydrophobicContact CD1-CD2 4.33Å; I149-L183 HydrophobicContact CD1-CG 4.24Å; I149-L183 HydrophobicContact CG2-CD2 4.36Å; I149-L183 WeakPolarHBondContact O-CA 3.48Å; L165-L183 HydrophobicContact CB-CD2 3.74Å; L165-L183 HydrophobicContact CD1-CD2 4.02Å; L165-L183 HydrophobicContact CD2-CD2 4.31Å; L165-L183 HydrophobicContact CG-CD2 4.25Å; V169-L183 HydrophobicContact CG2-CD1 3.98Å; V169-L183 HydrophobicContact CG2-CD2 3.86Å; V169-L183 HydrophobicContact CG2-CG 4.27Å; I181-L183 HydrophobicContact CG2-CD1 4.22Å; I181-L183 HydrophobicContact CG2-CG 4.46Å; L183-F187 HydrophobicContact CB-CZ 3.92Å; L183-L204 HydrophobicContact CD1-CD1 4.29Å; L183-L204 HydrophobicContact CD2-CD1 4.1Å; L183-L204 HydrophobicContact CD2-CD2 4.21Å; L183-I232 CarbonylContact O-C 3.56Å; L183-I232 WeakPolarHBondContact O-CA 3.32Å; L183-V233 HydrophobicContact CB-CB 4.33Å; L183-V233 HydrophobicContact CD1-CB 4.22Å; L183-V233 HydrophobicContact CD1-CG1 4.34Å; L183-V233 PolarHBondContact N-O 3.24Å; L183-V233 PolarHBondContact O-N 3.1Å
184L98.9Very high97.4Very high0 Ų039.5 Ų39.50%020%0.202CC..EExtended strand (participates in β ladder)trans-153.9149.4-173.972177.9000113.3L22 A24 L55 L148 I149 P150 Q151 R231 I232L22-L184 HydrophobicContact CD1-CD1 3.91Å; L22-L184 HydrophobicContact CD2-CD1 4.08Å; L22-L184 HydrophobicContact CG-CD1 4Å; A24-L184 HydrophobicContact CB-CB 4.05Å; A24-L184 HydrophobicContact CB-CD1 3.99Å; A24-L184 HydrophobicContact CB-CG 3.97Å; L55-L184 HydrophobicContact CB-CD1 4.42Å; L55-L184 HydrophobicContact CD2-CD2 4.39Å; L55-L184 HydrophobicContact CD2-CG 3.97Å; L55-L184 WeakPolarHBondContact CD2-O 3.41Å; L148-L184 HydrophobicContact CB-CD2 4.05Å; L148-L184 HydrophobicContact CD2-CD2 4.43Å; I149-L184 PolarHBondContact O-N 3.43Å; I149-L184 VanDerWaalsContact O-N 3.08Å; P150-L184 WeakPolarHBondContact CA-O 3.36Å; Q151-L184 PolarHBondContact N-O 2.76Å; L184-R231 VanDerWaalsContact CA-O 3.26Å; L184-R231 WeakPolarHBondContact CA-O 3.39Å; L184-I232 HydrophobicContact CB-CG1 4.3Å
185G98.8Very high97.2Very high0 Ų036.1 Ų36.10%018%0.183CC..EExtended strand (participates in β ladder)trans135.6-173.5176.500000113.6Q57 Q151 F187 D230 R231Q57-G185 VanDerWaalsContact OE1-CA 3.3Å; Q151-G185 CarbonylContact O-C 3.6Å; Q151-G185 WeakPolarHBondContact O-CA 3.47Å; G185-F187 WeakPolarHBondContact O-CD1 3.04Å; G185-F187 PolarHBondContact O-N 2.92Å; G185-F187 VanDerWaalsContact O-N 3.16Å; G185-D230 CarbonylContact O-C 3.54Å; G185-D230 WeakPolarHBondContact O-CA 3.12Å; G185-R231 PolarHBondContact N-O 2.74Å; G185-R231 VanDerWaalsContact N-O 3.09Å; G185-R231 PolarHBondContact O-N 2.73Å
186D98.8Very high96.9Very high2 Ų235.1 Ų35.11%0.01120%0.196CC..EExtended strand (participates in β ladder)trans-73.494.3173.3-178.86.1000111.4N26 Q151 H152 T153 N188 H269N26-D186 HydrophobicContact CB-CB 4.17Å; N26-D186 PolarHBondContact ND2-OD2 3.42Å; N26-D186 VanDerWaalsContact ND2-OD2 3.1Å; Q151-D186 PolarHBondContact O-N 3.5Å; H152-D186 CarbonylContact C-O 3.6Å; H152-D186 VanDerWaalsContact CA-O 3.24Å; H152-D186 WeakPolarHBondContact CA-O 3.37Å; H152-D186 IonicContact CD2-OD2 3.93Å; H152-D186 IonicContact NE2-OD2 2.77Å; T153-D186 PolarHBondContact N-O 3.09Å; D186-N188 PolarHBondContact O-N 3.25Å; D186-N188 PolarHBondContact OD1-N 3.11Å; D186-N188 PolarHBondContact OD1-ND2 3.49Å; D186-H269 IonicContact OD1-CE1 3.38Å; D186-H269 IonicContact OD2-CE1 2.75Å; D186-H269 PolarHBondContact OD2-CE1 3.41Å; D186-H269 VanDerWaalsContact OD2-CE1 3.23Å; D186-H269 IonicContact OD2-ND1 3.99Å; D186-H269 IonicContact OD2-NE2 3.68Å
187F98.7Very high96.7Very high0 Ų037.7 Ų37.70%022%0.219CC..  trans-86.81.1179.6-68.18.2000112.1Q151 T153 T162 L165 L183 G185 A189 L204 W212 Y229 R231 V233Q151-F187 HydrophobicContact CB-CD1 3.98Å; Q151-F187 HydrophobicContact CB-CE1 3.65Å; Q151-F187 HydrophobicContact CB-CZ 4.47Å; Q151-F187 HydrophobicContact CG-CD1 4.47Å; Q151-F187 WeakPolarHBondContact O-CD1 3.35Å; T153-F187 PolarHBondContact OG1-O 2.87Å; T162-F187 HydrophobicContact CG2-CD2 4.28Å; L165-F187 HydrophobicContact CD1-CD2 4.34Å; L165-F187 HydrophobicContact CD1-CE1 4.23Å; L165-F187 HydrophobicContact CD1-CE2 3.83Å; L165-F187 HydrophobicContact CD1-CZ 3.77Å; L183-F187 HydrophobicContact CB-CZ 3.92Å; G185-F187 WeakPolarHBondContact O-CD1 3.04Å; G185-F187 PolarHBondContact O-N 2.92Å; G185-F187 VanDerWaalsContact O-N 3.16Å; F187-A189 HydrophobicContact CB-CB 3.69Å; F187-A189 PolarHBondContact O-N 2.96Å; F187-L204 HydrophobicContact CE2-CD2 4.35Å; F187-W212 HydrophobicContact CD2-CH2 4.14Å; F187-W212 HydrophobicContact CD2-CZ3 4.38Å; F187-Y229 PolarHBondContact N-O 3.42Å; F187-R231 HydrophobicContact CB-CB 4.45Å; F187-R231 HydrophobicContact CB-CG 4.17Å; F187-R231 HydrophobicContact CD2-CB 3.68Å; F187-R231 HydrophobicContact CD2-CG 4.05Å; F187-R231 HydrophobicContact CE2-CB 3.99Å; F187-R231 HydrophobicContact CG-CB 4.01Å; F187-R231 HydrophobicContact CG-CG 4.25Å; F187-V233 HydrophobicContact CE2-CG2 4.01Å
188N98.3Very high96.6Very high7 Ų732.8 Ų32.84%0.03719%0.191CC..  trans46.829.7-167.7-74.7-89.6000111.9T153 A158 D186 G190 Y193 Y229T153-N188 PolarHBondContact O-ND2 3.38Å; T153-N188 VanDerWaalsContact O-ND2 3.15Å; T153-N188 WeakPolarHBondContact OG1-CB 3.01Å; T153-N188 PolarHBondContact OG1-ND2 3.14Å; A158-N188 HydrophobicContact CB-CB 3.89Å; D186-N188 PolarHBondContact O-N 3.25Å; D186-N188 PolarHBondContact OD1-N 3.11Å; D186-N188 PolarHBondContact OD1-ND2 3.49Å; N188-G190 VanDerWaalsContact C-N 3.31Å; N188-G190 PolarHBondContact O-N 3.36Å; N188-Y193 HydrophobicContact CB-CD2 3.68Å; N188-Y193 HydrophobicContact CB-CE2 4.39Å; N188-Y193 HydrophobicContact CB-CG 4.28Å; N188-Y193 VanDerWaalsContact O-CB 3.3Å; N188-Y193 WeakPolarHBondContact O-CB 3.47Å; N188-Y193 WeakPolarHBondContact OD1-CD2 3.5Å; N188-Y193 VanDerWaalsContact OD1-CE2 3.22Å; N188-Y193 WeakPolarHBondContact OD1-CE2 3.5Å; N188-Y229 PolarHBondContact N-O 3.1Å
189A92.7Very high96.5Very high0 Ų032.8 Ų32.80%019%0.189CC..  trans-86.464.3-162.700000112.4F187 W199 W212 Y229 R231F187-A189 HydrophobicContact CB-CB 3.69Å; F187-A189 PolarHBondContact O-N 2.96Å; A189-W199 HydrophobicContact CB-CH2 3.91Å; A189-W199 HydrophobicContact CB-CZ2 4.38Å; A189-W199 VanDerWaalsContact O-CZ2 3.31Å; A189-W199 WeakPolarHBondContact O-CZ2 3.32Å; A189-W212 HydrophobicContact CB-CH2 4.39Å; A189-W212 HydrophobicContact CB-CZ3 4.15Å; A189-Y229 PolarHBondContact N-O 2.9Å; A189-R231 HydrophobicContact CB-CG 4.01Å; A189-R231 PolarHBondContact O-NH2 3.08Å
190G94Very high96.5Very high3 Ų337 Ų373%0.03121%0.212CC..SBendtrans170.4-170.6175.600000113.6N188 N192 Y193 V194N188-G190 VanDerWaalsContact C-N 3.31Å; N188-G190 PolarHBondContact O-N 3.36Å; G190-N192 PolarHBondContact O-N 2.54Å; G190-Y193 PolarHBondContact O-N 3.04Å; G190-Y193 VanDerWaalsContact O-N 3.11Å; G190-V194 PolarHBondContact O-N 3.35Å
191C95.3Very high96.4Very high52 Ų5243.1 Ų43.135%0.35123%0.233SC..THydrogen-bonded Turntrans50.2-124.7178.9-70.30000112.4Y193 N226 C227 Y229C191-Y193 VanDerWaalsContact C-N 3.32Å; C191-N226 PolarHBondContact SG-O 2.96Å; C191-N226 VanDerWaalsContact SG-O 3.38Å; C191-C227 HydrophobicContact CB-CB 4.04Å; C191-C227 WeakPolarHBondContact CB-SG 3.27Å; C191-C227 WeakPolarHBondContact SG-CA 3.41Å; C191-C227 WeakPolarHBondContact SG-CB 3.26Å; C191-C227 CovalentContact SG-SG 2.04Å; C191-C227 PolarHBondContact SG-SG 3.41Å; C191-Y229 HydrophobicContact CB-CE1 3.99Å
192N94.7Very high96.4Very high156 Ų15643.1 Ų43.183%0.83423%0.233SC*.THydrogen-bonded Turntrans-81.2-12-174.7-64.8-29000113.3G190G190-N192 PolarHBondContact O-N 2.54Å
193Y95.9Very high96.4Very high90 Ų9047.1 Ų47.135%0.35325%0.248SC..THydrogen-bonded Turntrans-95.2-27.9-176.1-52.8-41.6000112.7P155 N188 G190 C191 Y229P155-Y193 HydrophobicContact CB-CD1 3.87Å; P155-Y193 HydrophobicContact CB-CD2 4.27Å; P155-Y193 HydrophobicContact CB-CE1 3.68Å; P155-Y193 HydrophobicContact CB-CE2 4.06Å; P155-Y193 HydrophobicContact CB-CG 4.17Å; N188-Y193 HydrophobicContact CB-CD2 3.68Å; N188-Y193 HydrophobicContact CB-CE2 4.39Å; N188-Y193 HydrophobicContact CB-CG 4.28Å; N188-Y193 VanDerWaalsContact O-CB 3.3Å; N188-Y193 WeakPolarHBondContact O-CB 3.47Å; N188-Y193 WeakPolarHBondContact OD1-CD2 3.5Å; N188-Y193 VanDerWaalsContact OD1-CE2 3.22Å; N188-Y193 WeakPolarHBondContact OD1-CE2 3.5Å; G190-Y193 PolarHBondContact O-N 3.04Å; G190-Y193 VanDerWaalsContact O-N 3.11Å; C191-Y193 VanDerWaalsContact C-N 3.32Å; Y193-Y229 HydrophobicContact CD2-CD1 4.01Å; Y193-Y229 AromaticContact CD2-CE1 3.35Å; Y193-Y229 HydrophobicContact CD2-CE1 3.35Å; Y193-Y229 AromaticContact CD2-CZ 3.81Å; Y193-Y229 HydrophobicContact CE2-CD1 4.38Å; Y193-Y229 AromaticContact CE2-CE1 3.61Å; Y193-Y229 HydrophobicContact CE2-CE1 3.61Å; Y193-Y229 HydrophobicContact CE2-CE2 4.27Å; Y193-Y229 AromaticContact CE2-CZ 3.54Å; Y193-Y229 WeakPolarHBondContact CE2-OH 3.35Å; Y193-Y229 HydrophobicContact CG-CE1 4.46Å
194V96.6Very high96.4Very high4 Ų447.1 Ų47.12%0.02425%0.248CC..SBendtrans-135.4101.9171.7-175.30000109.4A158 V159 G190 E198 W199 I202A158-V194 HydrophobicContact CB-CG2 4.1Å; V159-V194 HydrophobicContact CG2-CB 4.45Å; V159-V194 HydrophobicContact CG2-CG1 4.31Å; V159-V194 HydrophobicContact CG2-CG2 3.99Å; G190-V194 PolarHBondContact O-N 3.35Å; V194-E198 HydrophobicContact CG1-CB 4.28Å; V194-W199 HydrophobicContact CG1-CD2 4.02Å; V194-W199 HydrophobicContact CG1-CG 4.21Å; V194-W199 HydrophobicContact CG1-CZ2 4.22Å; V194-I202 HydrophobicContact CG1-CD1 3.97Å
195S93.5Very high96.3Very high42 Ų4249.8 Ų49.829%0.29426%0.26SS..  trans-71.1162.9176.9700000112.3S197 E198 W199S195-S197 PolarHBondContact O-N 3.02Å; S195-S197 PolarHBondContact OG-OG 3.43Å; S195-E198 VanDerWaalsContact CB-OE2 3.24Å; S195-E198 WeakPolarHBondContact CB-OE2 3.34Å; S195-E198 PolarHBondContact N-OE2 2.75Å; S195-E198 PolarHBondContact O-N 2.88Å; S195-E198 VanDerWaalsContact OG-CD 3.24Å; S195-E198 VanDerWaalsContact OG-CG 3.26Å; S195-E198 WeakPolarHBondContact OG-CG 3.36Å; S195-E198 PolarHBondContact OG-OE2 3.21Å; S195-W199 VanDerWaalsContact O-CD1 3.31Å
196S91.7Very high96.3Very high112 Ų11252.4 Ų52.478%0.78328%0.276SS*.THydrogen-bonded Turntrans-56.2-35.4179-62.20000113.5
197S93.6Very high96.3Very high88 Ų8854.8 Ų54.862%0.61529%0.289SS*.THydrogen-bonded Turntrans-74.4-25.717841.80000113.9S195S195-S197 PolarHBondContact O-N 3.02Å; S195-S197 PolarHBondContact OG-OG 3.43Å
198E96.7Very high96.2Very high51 Ų5162.2 Ų62.224%0.23832%0.321CS..G310 helixtrans-81-20.7-174.8-73.9169.212900113.3V159 V194 S195 N200 R201V159-E198 HydrophobicContact CG1-CB 4.46Å; V159-E198 HydrophobicContact CG2-CB 3.97Å; V159-E198 HydrophobicContact CG2-CG 4.38Å; V194-E198 HydrophobicContact CG1-CB 4.28Å; S195-E198 VanDerWaalsContact CB-OE2 3.24Å; S195-E198 WeakPolarHBondContact CB-OE2 3.34Å; S195-E198 PolarHBondContact N-OE2 2.75Å; S195-E198 PolarHBondContact O-N 2.88Å; S195-E198 VanDerWaalsContact OG-CD 3.24Å; S195-E198 VanDerWaalsContact OG-CG 3.26Å; S195-E198 WeakPolarHBondContact OG-CG 3.36Å; S195-E198 PolarHBondContact OG-OE2 3.21Å; E198-N200 PolarHBondContact O-N 3.41Å; E198-N200 VanDerWaalsContact O-N 3.1Å; E198-R201 WeakPolarHBondContact O-CA 3.43Å; E198-R201 VanDerWaalsContact O-CB 3.27Å; E198-R201 WeakPolarHBondContact O-CB 3.49Å; E198-R201 PolarHBondContact O-N 3.09Å; E198-R201 IonicContact OE1-NH1 3.66Å
199W96.4Very high96.2Very high19 Ų1963.5 Ų63.57%0.07233%0.331CS..G310 helixtrans-53.8-31.7173.5-79.2103.3000113.5A189 V194 S195 R201 I202 F205 W212 R231A189-W199 HydrophobicContact CB-CH2 3.91Å; A189-W199 HydrophobicContact CB-CZ2 4.38Å; A189-W199 VanDerWaalsContact O-CZ2 3.31Å; A189-W199 WeakPolarHBondContact O-CZ2 3.32Å; V194-W199 HydrophobicContact CG1-CD2 4.02Å; V194-W199 HydrophobicContact CG1-CG 4.21Å; V194-W199 HydrophobicContact CG1-CZ2 4.22Å; S195-W199 VanDerWaalsContact O-CD1 3.31Å; W199-R201 PolarHBondContact O-N 3.07Å; W199-I202 HydrophobicContact CE3-CD1 4.06Å; W199-I202 HydrophobicContact CZ3-CD1 4.34Å; W199-I202 PolarHBondContact O-N 3.33Å; W199-F205 HydrophobicContact CB-CD1 3.89Å; W199-F205 HydrophobicContact CB-CE1 3.85Å; W199-F205 HydrophobicContact CD2-CD1 4.37Å; W199-F205 HydrophobicContact CD2-CD2 4.25Å; W199-F205 HydrophobicContact CD2-CE1 4.44Å; W199-F205 HydrophobicContact CD2-CE2 4.32Å; W199-F205 HydrophobicContact CD2-CG 4.27Å; W199-F205 HydrophobicContact CD2-CZ 4.41Å; W199-F205 HydrophobicContact CE3-CB 3.71Å; W199-F205 AromaticContact CE3-CD1 3.79Å; W199-F205 HydrophobicContact CE3-CD1 3.79Å; W199-F205 AromaticContact CE3-CD2 3.34Å; W199-F205 HydrophobicContact CE3-CD2 3.34Å; W199-F205 HydrophobicContact CE3-CE1 4.23Å; W199-F205 AromaticContact CE3-CE2 3.82Å; W199-F205 HydrophobicContact CE3-CE2 3.82Å; W199-F205 AromaticContact CE3-CG 3.32Å; W199-F205 HydrophobicContact CE3-CG 3.32Å; W199-F205 HydrophobicContact CE3-CZ 4.23Å; W199-F205 HydrophobicContact CG-CD1 4.47Å; W199-F205 HydrophobicContact CG-CE1 4.34Å; W199-F205 HydrophobicContact CH2-CD2 4.47Å; W199-F205 HydrophobicContact CZ3-CB 4.02Å; W199-F205 AromaticContact CZ3-CD2 3.47Å; W199-F205 HydrophobicContact CZ3-CD2 3.47Å; W199-F205 VanDerWaalsContact CZ3-CD2 3.47Å; W199-F205 HydrophobicContact CZ3-CE2 4.07Å; W199-F205 AromaticContact CZ3-CG 3.82Å; W199-F205 HydrophobicContact CZ3-CG 3.82Å; W199-W212 HydrophobicContact CH2-CE3 4.24Å; W199-W212 AromaticContact CH2-CH2 3.83Å; W199-W212 HydrophobicContact CH2-CH2 3.83Å; W199-W212 AromaticContact CH2-CZ3 3.61Å; W199-W212 HydrophobicContact CH2-CZ3 3.61Å; W199-W212 HydrophobicContact CZ3-CE3 4.32Å; W199-W212 AromaticContact CZ3-CH2 3.55Å; W199-W212 HydrophobicContact CZ3-CH2 3.55Å; W199-W212 AromaticContact CZ3-CZ2 3.91Å; W199-W212 HydrophobicContact CZ3-CZ2 3.91Å; W199-W212 AromaticContact CZ3-CZ3 3.76Å; W199-W212 HydrophobicContact CZ3-CZ3 3.76Å; W199-R231 VanDerWaalsContact CZ2-NH2 3.34Å
200N96.5Very high96.5Very high125 Ų12564 Ų6467%0.66833%0.333SS*.G310 helixtrans-71.5-10.2176.6-69.4-40.4000113.8E198E198-N200 PolarHBondContact O-N 3.41Å; E198-N200 VanDerWaalsContact O-N 3.1Å
201R97.6Very high96.7Very high154 Ų15466.8 Ų66.858%0.58135%0.345SS*.G310 helixtrans-92.8-8.6176.5-57.9170.661.6-170-1.6112.7V159 E198 W199V159-R201 HydrophobicContact CG1-CB 4.37Å; E198-R201 WeakPolarHBondContact O-CA 3.43Å; E198-R201 VanDerWaalsContact O-CB 3.27Å; E198-R201 WeakPolarHBondContact O-CB 3.49Å; E198-R201 PolarHBondContact O-N 3.09Å; E198-R201 IonicContact OE1-NH1 3.66Å; W199-R201 PolarHBondContact O-N 3.07Å
202I98.6Very high96.9Very high0 Ų066.4 Ų66.40%034%0.336CS..  trans-99.1107.6-175.9-59.4173.7000108.4V159 T162 V194 W199 L204 F205 T206V159-I202 HydrophobicContact CG1-CD1 4.49Å; V159-I202 HydrophobicContact CG1-CG1 4.13Å; T162-I202 HydrophobicContact CG2-CD1 4.3Å; T162-I202 HydrophobicContact CG2-CG2 3.76Å; V194-I202 HydrophobicContact CG1-CD1 3.97Å; W199-I202 HydrophobicContact CE3-CD1 4.06Å; W199-I202 HydrophobicContact CZ3-CD1 4.34Å; W199-I202 PolarHBondContact O-N 3.33Å; I202-L204 VanDerWaalsContact C-N 3.26Å; I202-L204 HydrophobicContact CG2-CB 3.94Å; I202-L204 PolarHBondContact O-N 3.08Å; I202-F205 HydrophobicContact CB-CB 4.12Å; I202-F205 HydrophobicContact CG2-CB 4.04Å; I202-F205 PolarHBondContact O-N 3.46Å; I202-T206 PolarHBondContact O-N 3.16Å; I202-T206 PolarHBondContact O-OG1 2.81Å
203R98.7Very high97.1Very high85 Ų8560.6 Ų60.632%0.32131%0.305SS..Hα-helixtrans-57.1-40.3177-73.5174.9-73.4158.8-1.6111.7D163 Y166 D167 F205 T206 D207D163-R203 VanDerWaalsContact OD1-CB 3.27Å; D163-R203 WeakPolarHBondContact OD1-CB 3.49Å; D163-R203 VanDerWaalsContact OD1-CG 3.28Å; D163-R203 WeakPolarHBondContact OD1-CG 3.42Å; D163-R203 IonicContact OD1-CZ 3.57Å; D163-R203 PolarHBondContact OD1-N 3.31Å; D163-R203 IonicContact OD1-NE 3.68Å; D163-R203 PolarHBondContact OD1-NE 3.1Å; D163-R203 VanDerWaalsContact OD1-NE 3.07Å; D163-R203 IonicContact OD1-NH2 2.75Å; D163-R203 IonicContact OD2-CZ 3.36Å; D163-R203 IonicContact OD2-NE 3.86Å; D163-R203 PolarHBondContact OD2-NE 3.27Å; D163-R203 VanDerWaalsContact OD2-NE 3.14Å; D163-R203 IonicContact OD2-NH2 3.6Å; D163-R203 PolarHBondContact OD2-NH2 2.84Å; Y166-R203 HydrophobicContact CD2-CB 3.66Å; Y166-R203 HydrophobicContact CE2-CB 4.31Å; Y166-R203 HydrophobicContact CG-CB 3.82Å; D167-R203 IonicContact OD1-CZ 3.07Å; D167-R203 IonicContact OD1-NH1 3.58Å; D167-R203 PolarHBondContact OD1-NH1 2.63Å; D167-R203 IonicContact OD1-NH2 3.76Å; D167-R203 IonicContact OD2-CZ 3.83Å; D167-R203 IonicContact OD2-NH1 3.93Å; D167-R203 PolarHBondContact OD2-NH1 3.27Å; D167-R203 IonicContact OD2-NH2 3.54Å; D167-R203 PolarHBondContact OD2-NH2 3.3Å; R203-F205 PolarHBondContact O-N 2.99Å; R203-F205 VanDerWaalsContact O-N 3.1Å; R203-T206 WeakPolarHBondContact CA-OG1 3.5Å; R203-T206 PolarHBondContact O-N 3.25Å; R203-D207 VanDerWaalsContact O-CB 3.32Å; R203-D207 WeakPolarHBondContact O-CB 3.48Å; R203-D207 PolarHBondContact O-N 3.14Å
204L98.4Very high97.2Very high0 Ų056.3 Ų56.30%029%0.288CS..Hα-helixtrans-58-22.9175.3-163.374000113.5T162 L165 L183 F187 I202 F210 W212 V233T162-L204 HydrophobicContact CG2-CD2 4.28Å; L165-L204 HydrophobicContact CB-CD2 4.01Å; L165-L204 HydrophobicContact CD1-CD2 4.08Å; L183-L204 HydrophobicContact CD1-CD1 4.29Å; L183-L204 HydrophobicContact CD2-CD1 4.1Å; L183-L204 HydrophobicContact CD2-CD2 4.21Å; F187-L204 HydrophobicContact CE2-CD2 4.35Å; I202-L204 VanDerWaalsContact C-N 3.26Å; I202-L204 HydrophobicContact CG2-CB 3.94Å; I202-L204 PolarHBondContact O-N 3.08Å; L204-F210 HydrophobicContact CD1-CD1 3.54Å; L204-F210 HydrophobicContact CD1-CD2 4.28Å; L204-F210 HydrophobicContact CD1-CE1 3.6Å; L204-F210 HydrophobicContact CD1-CE2 4.34Å; L204-F210 HydrophobicContact CD1-CG 3.89Å; L204-F210 HydrophobicContact CD1-CZ 4.01Å; L204-F210 HydrophobicContact CG-CD1 4.5Å; L204-F210 HydrophobicContact CG-CG 4.5Å; L204-F210 VanDerWaalsContact O-CB 3.31Å; L204-F210 WeakPolarHBondContact O-CB 3.41Å; L204-W212 HydrophobicContact CB-CZ2 4.44Å; L204-W212 HydrophobicContact CD2-CZ2 3.95Å; L204-W212 HydrophobicContact CG-CZ2 4.23Å; L204-W212 PolarHBondContact O-NE1 3.28Å; L204-V233 HydrophobicContact CD2-CG1 4.49Å; L204-V233 HydrophobicContact CD2-CG2 4.48Å; L204-V233 HydrophobicContact CG-CG1 4.34Å
205F98Very high97.2Very high55 Ų5559.3 Ų59.324%0.24131%0.308CS..Hα-helixtrans-100.1-38177.6-179.5-98.1000113.3W199 I202 R203 W212W199-F205 HydrophobicContact CB-CD1 3.89Å; W199-F205 HydrophobicContact CB-CE1 3.85Å; W199-F205 HydrophobicContact CD2-CD1 4.37Å; W199-F205 HydrophobicContact CD2-CD2 4.25Å; W199-F205 HydrophobicContact CD2-CE1 4.44Å; W199-F205 HydrophobicContact CD2-CE2 4.32Å; W199-F205 HydrophobicContact CD2-CG 4.27Å; W199-F205 HydrophobicContact CD2-CZ 4.41Å; W199-F205 HydrophobicContact CE3-CB 3.71Å; W199-F205 AromaticContact CE3-CD1 3.79Å; W199-F205 HydrophobicContact CE3-CD1 3.79Å; W199-F205 AromaticContact CE3-CD2 3.34Å; W199-F205 HydrophobicContact CE3-CD2 3.34Å; W199-F205 HydrophobicContact CE3-CE1 4.23Å; W199-F205 AromaticContact CE3-CE2 3.82Å; W199-F205 HydrophobicContact CE3-CE2 3.82Å; W199-F205 AromaticContact CE3-CG 3.32Å; W199-F205 HydrophobicContact CE3-CG 3.32Å; W199-F205 HydrophobicContact CE3-CZ 4.23Å; W199-F205 HydrophobicContact CG-CD1 4.47Å; W199-F205 HydrophobicContact CG-CE1 4.34Å; W199-F205 HydrophobicContact CH2-CD2 4.47Å; W199-F205 HydrophobicContact CZ3-CB 4.02Å; W199-F205 AromaticContact CZ3-CD2 3.47Å; W199-F205 HydrophobicContact CZ3-CD2 3.47Å; W199-F205 VanDerWaalsContact CZ3-CD2 3.47Å; W199-F205 HydrophobicContact CZ3-CE2 4.07Å; W199-F205 AromaticContact CZ3-CG 3.82Å; W199-F205 HydrophobicContact CZ3-CG 3.82Å; I202-F205 HydrophobicContact CB-CB 4.12Å; I202-F205 HydrophobicContact CG2-CB 4.04Å; I202-F205 PolarHBondContact O-N 3.46Å; R203-F205 PolarHBondContact O-N 2.99Å; R203-F205 VanDerWaalsContact O-N 3.1Å; F205-W212 HydrophobicContact CB-CZ2 4.21Å; F205-W212 HydrophobicContact CD2-CD2 4.29Å; F205-W212 HydrophobicContact CD2-CG 4.42Å
206T98.3Very high97.3Very high56 Ų5660.8 Ų60.834%0.34431%0.312SS..Hα-helixtrans-76.3-35.7-176.649.90000112.4I202 R203 K208I202-T206 PolarHBondContact O-N 3.16Å; I202-T206 PolarHBondContact O-OG1 2.81Å; R203-T206 WeakPolarHBondContact CA-OG1 3.5Å; R203-T206 PolarHBondContact O-N 3.25Å; T206-K208 PolarHBondContact O-N 2.91Å
207D98.4Very high97.5Very high51 Ų5161.5 Ų61.527%0.27331%0.312SS..SBendtrans-71.1122173.3-179.9-2.1000111Y166 R203 S209 F210Y166-D207 HydrophobicContact CE2-CB 4.35Å; R203-D207 VanDerWaalsContact O-CB 3.32Å; R203-D207 WeakPolarHBondContact O-CB 3.48Å; R203-D207 PolarHBondContact O-N 3.14Å; D207-S209 PolarHBondContact O-N 3.19Å; D207-S209 WeakPolarHBondContact OD1-CB 3.41Å; D207-S209 PolarHBondContact OD1-N 2.68Å; D207-S209 PolarHBondContact OD1-OG 2.96Å; D207-S209 VanDerWaalsContact OD1-OG 3.06Å; D207-S209 PolarHBondContact OD2-OG 2.85Å; D207-F210 HydrophobicContact CB-CD2 3.86Å; D207-F210 HydrophobicContact CB-CE2 4.09Å; D207-F210 PolarHBondContact O-N 3.21Å; D207-F210 WeakPolarHBondContact OD2-CE2 3.39Å
208K97.4Very high97.7Very high156 Ų15658 Ų5868%0.67829%0.288SS*.THydrogen-bonded Turntrans-77.8-2.1-177.2-55-53176.3-162.70114.1T206 F210T206-K208 PolarHBondContact O-N 2.91Å; K208-F210 PolarHBondContact O-N 3.04Å
209S97.4Very high97.8Very high35 Ų3558.2 Ų58.225%0.24529%0.291CS..THydrogen-bonded Turntrans-74.5-10.5168.378.80000113.3D207 T235 A236D207-S209 PolarHBondContact O-N 3.19Å; D207-S209 WeakPolarHBondContact OD1-CB 3.41Å; D207-S209 PolarHBondContact OD1-N 2.68Å; D207-S209 PolarHBondContact OD1-OG 2.96Å; D207-S209 VanDerWaalsContact OD1-OG 3.06Å; D207-S209 PolarHBondContact OD2-OG 2.85Å; S209-T235 CarbonylContact O-C 3.58Å; S209-A236 PolarHBondContact O-N 3.13Å
210F98.7Very high97.9Very high10 Ų1057.3 Ų57.34%0.04429%0.288CS..EExtended strand (participates in β ladder)trans-106.1136.6173.2-59.7-81.6000111.3Y166 V169 L204 D207 K208 V233 V234 T235Y166-F210 AromaticContact CD2-CE2 3.57Å; Y166-F210 HydrophobicContact CD2-CE2 3.57Å; Y166-F210 AromaticContact CD2-CZ 3.94Å; Y166-F210 HydrophobicContact CD2-CZ 3.94Å; Y166-F210 AromaticContact CE2-CE2 3.67Å; Y166-F210 HydrophobicContact CE2-CE2 3.67Å; Y166-F210 HydrophobicContact CE2-CZ 4.21Å; V169-F210 HydrophobicContact CB-CE1 4.27Å; V169-F210 HydrophobicContact CB-CZ 4.38Å; V169-F210 HydrophobicContact CG1-CE1 3.95Å; V169-F210 HydrophobicContact CG1-CZ 4.11Å; V169-F210 HydrophobicContact CG2-CE1 3.99Å; L204-F210 HydrophobicContact CD1-CD1 3.54Å; L204-F210 HydrophobicContact CD1-CD2 4.28Å; L204-F210 HydrophobicContact CD1-CE1 3.6Å; L204-F210 HydrophobicContact CD1-CE2 4.34Å; L204-F210 HydrophobicContact CD1-CG 3.89Å; L204-F210 HydrophobicContact CD1-CZ 4.01Å; L204-F210 HydrophobicContact CG-CD1 4.5Å; L204-F210 HydrophobicContact CG-CG 4.5Å; L204-F210 VanDerWaalsContact O-CB 3.31Å; L204-F210 WeakPolarHBondContact O-CB 3.41Å; D207-F210 HydrophobicContact CB-CD2 3.86Å; D207-F210 HydrophobicContact CB-CE2 4.09Å; D207-F210 PolarHBondContact O-N 3.21Å; D207-F210 WeakPolarHBondContact OD2-CE2 3.39Å; K208-F210 PolarHBondContact O-N 3.04Å; F210-V233 HydrophobicContact CB-CG1 3.98Å; F210-V233 HydrophobicContact CD1-CG1 4.43Å; F210-V234 CarbonylContact C-O 3.6Å; F210-V234 WeakPolarHBondContact CA-O 3.48Å; F210-T235 HydrophobicContact CD1-CG2 4.17Å; F210-T235 HydrophobicContact CE1-CG2 3.89Å
211H98.6Very high98Very high62 Ų6251.6 Ų51.629%0.28726%0.257SS..EExtended strand (participates in β ladder)trans-119.5111.1-177.9-59.2-87.5000109.5L213 V233 V234 L239H211-L213 HydrophobicContact CB-CD2 4.32Å; H211-L213 PolarHBondContact O-N 2.79Å; H211-V233 CarbonylContact O-C 3.51Å; H211-V233 WeakPolarHBondContact O-CA 3.37Å; H211-V234 HydrophobicContact CB-CG2 3.88Å; H211-V234 PolarHBondContact N-O 3.24Å; H211-V234 PolarHBondContact O-N 3.02Å; H211-L239 HydrophobicContact CB-CD1 4.24Å
212W98.6Very high98Very high44 Ų4444.4 Ų44.417%0.16723%0.231CC..EExtended strand (participates in β ladder)trans-80.9110176-70.964.4000108.9T162 F187 A189 W199 L204 F205 R231 V233T162-W212 HydrophobicContact CG2-CH2 3.85Å; T162-W212 HydrophobicContact CG2-CZ2 4.21Å; F187-W212 HydrophobicContact CD2-CH2 4.14Å; F187-W212 HydrophobicContact CD2-CZ3 4.38Å; A189-W212 HydrophobicContact CB-CH2 4.39Å; A189-W212 HydrophobicContact CB-CZ3 4.15Å; W199-W212 HydrophobicContact CH2-CE3 4.24Å; W199-W212 AromaticContact CH2-CH2 3.83Å; W199-W212 HydrophobicContact CH2-CH2 3.83Å; W199-W212 AromaticContact CH2-CZ3 3.61Å; W199-W212 HydrophobicContact CH2-CZ3 3.61Å; W199-W212 HydrophobicContact CZ3-CE3 4.32Å; W199-W212 AromaticContact CZ3-CH2 3.55Å; W199-W212 HydrophobicContact CZ3-CH2 3.55Å; W199-W212 AromaticContact CZ3-CZ2 3.91Å; W199-W212 HydrophobicContact CZ3-CZ2 3.91Å; W199-W212 AromaticContact CZ3-CZ3 3.76Å; W199-W212 HydrophobicContact CZ3-CZ3 3.76Å; L204-W212 HydrophobicContact CB-CZ2 4.44Å; L204-W212 HydrophobicContact CD2-CZ2 3.95Å; L204-W212 HydrophobicContact CG-CZ2 4.23Å; L204-W212 PolarHBondContact O-NE1 3.28Å; F205-W212 HydrophobicContact CB-CZ2 4.21Å; F205-W212 HydrophobicContact CD2-CD2 4.29Å; F205-W212 HydrophobicContact CD2-CG 4.42Å; W212-R231 HydrophobicContact CE3-CB 4.41Å; W212-R231 HydrophobicContact CE3-CG 4.14Å; W212-R231 HydrophobicContact CZ3-CB 4.14Å; W212-R231 HydrophobicContact CZ3-CG 3.65Å; W212-V233 HydrophobicContact CD2-CG2 3.48Å; W212-V233 VanDerWaalsContact CD2-CG2 3.48Å; W212-V233 HydrophobicContact CE3-CG2 3.75Å; W212-V233 HydrophobicContact CG-CG1 4.29Å; W212-V233 HydrophobicContact CG-CG2 3.9Å; W212-V233 HydrophobicContact CH2-CG2 4.25Å; W212-V233 HydrophobicContact CZ2-CG2 4.01Å; W212-V233 HydrophobicContact CZ3-CG2 4.14Å
213L98.8Very high97.9Very high33 Ų3346.7 Ų46.717%0.17324%0.244CC..SBendtrans-84.3-30.5-173.4-54.9-171.7000112.3H211 I232 V234 L239 V242 A247 V274H211-L213 HydrophobicContact CB-CD2 4.32Å; H211-L213 PolarHBondContact O-N 2.79Å; L213-I232 HydrophobicContact CB-CB 4.35Å; L213-I232 HydrophobicContact CB-CG2 4.45Å; L213-I232 HydrophobicContact CD1-CG2 3.92Å; L213-I232 HydrophobicContact CG-CG2 4.4Å; L213-I232 PolarHBondContact N-O 3.31Å; L213-V234 HydrophobicContact CD1-CG1 3.72Å; L213-V234 HydrophobicContact CD1-CG2 4.09Å; L213-V234 HydrophobicContact CD2-CG2 3.9Å; L213-V234 HydrophobicContact CG-CG1 4.3Å; L213-V234 HydrophobicContact CG-CG2 4.1Å; L213-L239 HydrophobicContact CD2-CD1 4.07Å; L213-V242 HydrophobicContact CD1-CG1 4.03Å; L213-V242 HydrophobicContact CD1-CG2 4.16Å; L213-A247 HydrophobicContact CB-CB 3.6Å; L213-A247 HydrophobicContact CD1-CB 4.42Å; L213-V274 HydrophobicContact CD1-CG2 3.84Å
214I98.7Very high97.7Very high1 Ų149 Ų491%0.00527%0.268CS..SBendtrans-91.8115.8171.3-54.5-59.7000108.6A218 T220 R231 I232 A247 V272I214-A218 HydrophobicContact CG2-CB 3.74Å; I214-T220 HydrophobicContact CG2-CG2 4.3Å; I214-R231 PolarHBondContact O-NH1 3.48Å; I214-I232 HydrophobicContact CG1-CB 4.17Å; I214-I232 HydrophobicContact CG1-CG1 4.12Å; I214-A247 HydrophobicContact CD1-CB 4.25Å; I214-V272 HydrophobicContact CD1-CB 3.98Å; I214-V272 HydrophobicContact CD1-CG1 4.03Å; I214-V272 HydrophobicContact CG1-CB 3.94Å; I214-V272 HydrophobicContact CG1-CG1 3.9Å; I214-V272 HydrophobicContact CG2-CG1 4.26Å
215P97.1Very high97.6Very high66 Ų6651.7 Ų51.743%0.42929%0.285SS..  trans-75.4159.7-173.131.5-36.2000112.4T217 A218P215-T217 PolarHBondContact O-N 2.74Å; P215-A218 HydrophobicContact CG-CB 4.2Å; P215-A218 WeakPolarHBondContact O-CB 3.48Å; P215-A218 PolarHBondContact O-N 2.62Å
216N95.9Very high97.5Very high74 Ų7454.3 Ų54.340%0.39630%0.301SS..THydrogen-bonded Turntrans-64.2-10.7175.7-67.3-1.1000113.9P228 R231N216-P228 WeakPolarHBondContact O-CG 3.37Å; N216-R231 VanDerWaalsContact OD1-CZ 3.23Å; N216-R231 PolarHBondContact OD1-NH1 2.93Å; N216-R231 PolarHBondContact OD1-NH2 2.92Å
217T96.2Very high97.5Very high126 Ų12651.9 Ų51.977%0.77329%0.287SS*.THydrogen-bonded Turntrans-93.4-3.1176.657.70000112.9P215P215-T217 PolarHBondContact O-N 2.74Å
218A97.9Very high97.4Very high14 Ų1450 Ų5012%0.11628%0.277CS..  trans-73.4146.3177.700000110.8I214 P215 C227 P228 V249I214-A218 HydrophobicContact CG2-CB 3.74Å; P215-A218 HydrophobicContact CG-CB 4.2Å; P215-A218 WeakPolarHBondContact O-CB 3.48Å; P215-A218 PolarHBondContact O-N 2.62Å; A218-C227 CarbonylContact O-C 3.57Å; A218-P228 WeakPolarHBondContact O-CA 3.48Å; A218-P228 WeakPolarHBondContact O-CB 3.12Å; A218-V249 HydrophobicContact CB-CG2 4.12Å
219D98.4Very high97.5Very high57 Ų5743.5 Ų43.531%0.30525%0.248SC..  trans-102.7114.6165.2-171.33.1000108.4T221 N226 C227 V249D219-T221 PolarHBondContact OD1-N 3.26Å; D219-T221 PolarHBondContact OD1-OG1 3.11Å; D219-N226 WeakPolarHBondContact CB-OD1 3.13Å; D219-C227 PolarHBondContact OD1-N 3.48Å; D219-V249 WeakPolarHBondContact O-CG1 3.36Å
220T98.6Very high97.5Very high0 Ų041.8 Ų41.80%024%0.237CC..  trans-103.511.5178.170.80000111.7I214 C227 Y229 D230 V249 H269 F270 V272I214-T220 HydrophobicContact CG2-CG2 4.3Å; T220-C227 PolarHBondContact N-O 2.91Å; T220-C227 PolarHBondContact OG1-O 2.98Å; T220-Y229 PolarHBondContact OG1-N 2.75Å; T220-D230 WeakPolarHBondContact CB-OD2 3.15Å; T220-D230 HydrophobicContact CG2-CB 3.96Å; T220-D230 PolarHBondContact OG1-N 2.98Å; T220-D230 VanDerWaalsContact OG1-N 3.08Å; T220-D230 PolarHBondContact OG1-OD2 2.87Å; T220-V249 HydrophobicContact CG2-CG2 3.88Å; T220-H269 CarbonylContact O-C 3.58Å; T220-H269 WeakPolarHBondContact O-CA 3.27Å; T220-F270 PolarHBondContact O-N 3.05Å; T220-V272 HydrophobicContact CG2-CG1 3.84Å
221T98.3Very high97.6Very high4 Ų441.3 Ų41.33%0.02523%0.234CC..BIsolated β-bridgetrans-109.8138.3-174.368.10000112.3D219 T223 T225 C227 Y229 D268 F270D219-T221 PolarHBondContact OD1-N 3.26Å; D219-T221 PolarHBondContact OD1-OG1 3.11Å; T221-T223 VanDerWaalsContact C-N 3.3Å; T221-T225 WeakPolarHBondContact CB-OG1 3.39Å; T221-T225 WeakPolarHBondContact CG2-OG1 3.18Å; T221-T225 PolarHBondContact OG1-O 3.31Å; T221-T225 VanDerWaalsContact OG1-O 3.12Å; T221-T225 PolarHBondContact OG1-OG1 3.26Å; T221-C227 HydrophobicContact CG2-CB 4.07Å; T221-Y229 HydrophobicContact CG2-CD2 3.55Å; T221-Y229 HydrophobicContact CG2-CE2 3.83Å; T221-D268 WeakPolarHBondContact CA-O 3.39Å; T221-F270 WeakPolarHBondContact O-CD2 3.34Å; T221-F270 WeakPolarHBondContact O-CE2 3.46Å
222V98.2Very high97.6Very high4 Ų438.4 Ų38.42%0.02422%0.221CC..SBendtrans-80.1-19.2170.6178.70000110.4F252 H260 A263 L264 S267 D268 H269 F270V222-F252 HydrophobicContact CG2-CE1 3.92Å; V222-F252 HydrophobicContact CG2-CZ 3.7Å; V222-H260 PolarHBondContact O-CD2 2.83Å; V222-H260 PolarHBondContact O-NE2 2.77Å; V222-A263 HydrophobicContact CG1-CB 3.66Å; V222-L264 HydrophobicContact CB-CD2 4.27Å; V222-L264 HydrophobicContact CG1-CD2 3.89Å; V222-L264 HydrophobicContact CG1-CG 4.07Å; V222-S267 WeakPolarHBondContact CB-O 3.28Å; V222-S267 WeakPolarHBondContact CG2-O 3.27Å; V222-D268 PolarHBondContact N-O 2.94Å; V222-H269 WeakPolarHBondContact CG2-O 3.19Å; V222-F270 HydrophobicContact CB-CE1 4.43Å; V222-F270 HydrophobicContact CB-CZ 4.32Å; V222-F270 HydrophobicContact CG2-CD1 3.57Å; V222-F270 HydrophobicContact CG2-CD2 4.25Å; V222-F270 HydrophobicContact CG2-CE1 3.49Å; V222-F270 VanDerWaalsContact CG2-CE1 3.49Å; V222-F270 HydrophobicContact CG2-CE2 4.18Å; V222-F270 HydrophobicContact CG2-CG 3.96Å; V222-F270 HydrophobicContact CG2-CZ 3.81Å
223T96.3Very high97.6Very high47 Ų4736.3 Ų36.329%0.28821%0.213SC..SBendtrans-70-170.1-179.484.80000112T221 T225 L264 D268T221-T223 VanDerWaalsContact C-N 3.3Å; T223-T225 PolarHBondContact OG1-N 3.24Å; T223-T225 VanDerWaalsContact OG1-N 3.15Å; T223-T225 PolarHBondContact OG1-OG1 3.15Å; T223-L264 HydrophobicContact CG2-CD2 4.06Å; T223-D268 HydrophobicContact CG2-CB 3.56Å
224T94.4Very high97.6Very high134 Ų13434.7 Ų34.782%0.82221%0.205SC*.SBendtrans-83.40.8174.957.80000113.3
225T94.5Very high97.6Very high56 Ų5634.7 Ų34.734%0.34420%0.204SC..  trans-72.6167.7172.156.20000110.9T221 T223T221-T225 WeakPolarHBondContact CB-OG1 3.39Å; T221-T225 WeakPolarHBondContact CG2-OG1 3.18Å; T221-T225 PolarHBondContact OG1-O 3.31Å; T221-T225 VanDerWaalsContact OG1-O 3.12Å; T221-T225 PolarHBondContact OG1-OG1 3.26Å; T223-T225 PolarHBondContact OG1-N 3.24Å; T223-T225 VanDerWaalsContact OG1-N 3.15Å; T223-T225 PolarHBondContact OG1-OG1 3.15Å
226N96.5Very high97.6Very high110 Ų11033.3 Ų33.359%0.58820%0.199SC*.  trans-131.690.5168.5176.6-1.1000107.2C191 D219C191-N226 PolarHBondContact SG-O 2.96Å; C191-N226 VanDerWaalsContact SG-O 3.38Å; D219-N226 WeakPolarHBondContact CB-OD1 3.13Å
227C97.9Very high97.7Very high6 Ų632.5 Ų32.54%0.04119%0.194CC..  trans-137.9134.5-167.9-67.10000112.7C191 A218 D219 T220 T221 Y229C191-C227 HydrophobicContact CB-CB 4.04Å; C191-C227 WeakPolarHBondContact CB-SG 3.27Å; C191-C227 WeakPolarHBondContact SG-CA 3.41Å; C191-C227 WeakPolarHBondContact SG-CB 3.26Å; C191-C227 CovalentContact SG-SG 2.04Å; C191-C227 PolarHBondContact SG-SG 3.41Å; A218-C227 CarbonylContact O-C 3.57Å; D219-C227 PolarHBondContact OD1-N 3.48Å; T220-C227 PolarHBondContact N-O 2.91Å; T220-C227 PolarHBondContact OG1-O 2.98Å; T221-C227 HydrophobicContact CG2-CB 4.07Å; C227-Y229 VanDerWaalsContact C-N 3.3Å; C227-Y229 HydrophobicContact CB-CD1 3.98Å; C227-Y229 HydrophobicContact CB-CD2 3.82Å; C227-Y229 HydrophobicContact CB-CE1 3.67Å; C227-Y229 HydrophobicContact CB-CE2 3.5Å; C227-Y229 VanDerWaalsContact CB-CE2 3.5Å; C227-Y229 HydrophobicContact CB-CG 4.05Å; C227-Y229 VanDerWaalsContact CB-CZ 3.42Å; C227-Y229 PolarHBondContact O-N 3.49Å; C227-Y229 VanDerWaalsContact O-N 3.17Å; C227-Y229 PolarHBondContact SG-OH 3.42Å; C227-Y229 VanDerWaalsContact SG-OH 3.41Å
228P97.4Very high97.7Very high10 Ų1026.6 Ų26.67%0.06516%0.158CC..  trans-89.558.6178.537.8-38.6000111N216 A218 R231N216-P228 WeakPolarHBondContact O-CG 3.37Å; A218-P228 WeakPolarHBondContact O-CA 3.48Å; A218-P228 WeakPolarHBondContact O-CB 3.12Å; P228-R231 PolarHBondContact O-NE 3.14Å; P228-R231 PolarHBondContact O-NH2 3.5Å
229Y98.7Very high97.7Very high20 Ų2028.9 Ų28.98%0.07817%0.168CC..  trans-70.7-44.8-175.3-65.9-38.8000112.1F187 N188 A189 C191 Y193 T220 T221 C227 H269F187-Y229 PolarHBondContact N-O 3.42Å; N188-Y229 PolarHBondContact N-O 3.1Å; A189-Y229 PolarHBondContact N-O 2.9Å; C191-Y229 HydrophobicContact CB-CE1 3.99Å; Y193-Y229 HydrophobicContact CD2-CD1 4.01Å; Y193-Y229 AromaticContact CD2-CE1 3.35Å; Y193-Y229 HydrophobicContact CD2-CE1 3.35Å; Y193-Y229 AromaticContact CD2-CZ 3.81Å; Y193-Y229 HydrophobicContact CE2-CD1 4.38Å; Y193-Y229 AromaticContact CE2-CE1 3.61Å; Y193-Y229 HydrophobicContact CE2-CE1 3.61Å; Y193-Y229 HydrophobicContact CE2-CE2 4.27Å; Y193-Y229 AromaticContact CE2-CZ 3.54Å; Y193-Y229 WeakPolarHBondContact CE2-OH 3.35Å; Y193-Y229 HydrophobicContact CG-CE1 4.46Å; T220-Y229 PolarHBondContact OG1-N 2.75Å; T221-Y229 HydrophobicContact CG2-CD2 3.55Å; T221-Y229 HydrophobicContact CG2-CE2 3.83Å; C227-Y229 VanDerWaalsContact C-N 3.3Å; C227-Y229 HydrophobicContact CB-CD1 3.98Å; C227-Y229 HydrophobicContact CB-CD2 3.82Å; C227-Y229 HydrophobicContact CB-CE1 3.67Å; C227-Y229 HydrophobicContact CB-CE2 3.5Å; C227-Y229 VanDerWaalsContact CB-CE2 3.5Å; C227-Y229 HydrophobicContact CB-CG 4.05Å; C227-Y229 VanDerWaalsContact CB-CZ 3.42Å; C227-Y229 PolarHBondContact O-N 3.49Å; C227-Y229 VanDerWaalsContact O-N 3.17Å; C227-Y229 PolarHBondContact SG-OH 3.42Å; C227-Y229 VanDerWaalsContact SG-OH 3.41Å; Y229-H269 AromaticContact CD2-CE1 3.96Å
230D98.9Very high97.6Very high0 Ų033.4 Ų33.40%019%0.185CC..EExtended strand (participates in β ladder)trans-85134.2-176.5-53.5-102.1000111.2G185 T220 H269 V272G185-D230 CarbonylContact O-C 3.54Å; G185-D230 WeakPolarHBondContact O-CA 3.12Å; T220-D230 WeakPolarHBondContact CB-OD2 3.15Å; T220-D230 HydrophobicContact CG2-CB 3.96Å; T220-D230 PolarHBondContact OG1-N 2.98Å; T220-D230 VanDerWaalsContact OG1-N 3.08Å; T220-D230 PolarHBondContact OG1-OD2 2.87Å; D230-H269 IonicContact OD1-ND1 2.82Å; D230-H269 PolarHBondContact OD1-ND1 3.08Å; D230-H269 IonicContact OD2-CE1 3.01Å; D230-H269 IonicContact OD2-CG 3.02Å; D230-H269 IonicContact OD2-ND1 3.31Å; D230-H269 PolarHBondContact OD2-ND1 3.41Å; D230-V272 HydrophobicContact CB-CB 4.46Å; D230-V272 HydrophobicContact CB-CG1 3.66Å; D230-V272 HydrophobicContact CB-CG2 3.96Å
231R98.8Very high97.4Very high0 Ų033.5 Ų33.50%019%0.186CC..EExtended strand (participates in β ladder)trans-134.8153.5-169.2-62-65.3-171.8132.110.2112.1L184 G185 F187 A189 W199 W212 I214 N216 P228L184-R231 VanDerWaalsContact CA-O 3.26Å; L184-R231 WeakPolarHBondContact CA-O 3.39Å; G185-R231 PolarHBondContact N-O 2.74Å; G185-R231 VanDerWaalsContact N-O 3.09Å; G185-R231 PolarHBondContact O-N 2.73Å; F187-R231 HydrophobicContact CB-CB 4.45Å; F187-R231 HydrophobicContact CB-CG 4.17Å; F187-R231 HydrophobicContact CD2-CB 3.68Å; F187-R231 HydrophobicContact CD2-CG 4.05Å; F187-R231 HydrophobicContact CE2-CB 3.99Å; F187-R231 HydrophobicContact CG-CB 4.01Å; F187-R231 HydrophobicContact CG-CG 4.25Å; A189-R231 HydrophobicContact CB-CG 4.01Å; A189-R231 PolarHBondContact O-NH2 3.08Å; W199-R231 VanDerWaalsContact CZ2-NH2 3.34Å; W212-R231 HydrophobicContact CE3-CB 4.41Å; W212-R231 HydrophobicContact CE3-CG 4.14Å; W212-R231 HydrophobicContact CZ3-CB 4.14Å; W212-R231 HydrophobicContact CZ3-CG 3.65Å; I214-R231 PolarHBondContact O-NH1 3.48Å; N216-R231 VanDerWaalsContact OD1-CZ 3.23Å; N216-R231 PolarHBondContact OD1-NH1 2.93Å; N216-R231 PolarHBondContact OD1-NH2 2.92Å; P228-R231 PolarHBondContact O-NE 3.14Å; P228-R231 PolarHBondContact O-NH2 3.5Å
232I98.9Very high97.4Very high0 Ų034.2 Ų34.20%019%0.19CC..EExtended strand (participates in β ladder)trans-129121.9164-57.4178.3000106.4V182 L183 L184 L213 I214 V234 V272 V274V182-I232 HydrophobicContact CG1-CG2 3.83Å; L183-I232 CarbonylContact O-C 3.56Å; L183-I232 WeakPolarHBondContact O-CA 3.32Å; L184-I232 HydrophobicContact CB-CG1 4.3Å; L213-I232 HydrophobicContact CB-CB 4.35Å; L213-I232 HydrophobicContact CB-CG2 4.45Å; L213-I232 HydrophobicContact CD1-CG2 3.92Å; L213-I232 HydrophobicContact CG-CG2 4.4Å; L213-I232 PolarHBondContact N-O 3.31Å; I214-I232 HydrophobicContact CG1-CB 4.17Å; I214-I232 HydrophobicContact CG1-CG1 4.12Å; I232-V234 HydrophobicContact CG2-CG1 4.44Å; I232-V272 HydrophobicContact CD1-CB 4.14Å; I232-V272 HydrophobicContact CD1-CG2 4.07Å; I232-V272 HydrophobicContact CG1-CB 4.18Å; I232-V272 HydrophobicContact CG1-CG2 3.75Å; I232-V274 HydrophobicContact CD1-CB 3.98Å; I232-V274 HydrophobicContact CD1-CG1 3.89Å; I232-V274 HydrophobicContact CG2-CG1 4.14Å
233V98.9Very high97.3Very high0 Ų036.2 Ų36.20%020%0.202CC..EExtended strand (participates in β ladder)trans-124.5133.5178.9-173.10000108.2V182 L183 F187 L204 F210 H211 W212V182-V233 CarbonylContact C-O 3.49Å; V182-V233 WeakPolarHBondContact CA-O 3.37Å; L183-V233 HydrophobicContact CB-CB 4.33Å; L183-V233 HydrophobicContact CD1-CB 4.22Å; L183-V233 HydrophobicContact CD1-CG1 4.34Å; L183-V233 PolarHBondContact N-O 3.24Å; L183-V233 PolarHBondContact O-N 3.1Å; F187-V233 HydrophobicContact CE2-CG2 4.01Å; L204-V233 HydrophobicContact CD2-CG1 4.49Å; L204-V233 HydrophobicContact CD2-CG2 4.48Å; L204-V233 HydrophobicContact CG-CG1 4.34Å; F210-V233 HydrophobicContact CB-CG1 3.98Å; F210-V233 HydrophobicContact CD1-CG1 4.43Å; H211-V233 CarbonylContact O-C 3.51Å; H211-V233 WeakPolarHBondContact O-CA 3.37Å; W212-V233 HydrophobicContact CD2-CG2 3.48Å; W212-V233 VanDerWaalsContact CD2-CG2 3.48Å; W212-V233 HydrophobicContact CE3-CG2 3.75Å; W212-V233 HydrophobicContact CG-CG1 4.29Å; W212-V233 HydrophobicContact CG-CG2 3.9Å; W212-V233 HydrophobicContact CH2-CG2 4.25Å; W212-V233 HydrophobicContact CZ2-CG2 4.01Å; W212-V233 HydrophobicContact CZ3-CG2 4.14Å
234V98.8Very high97.3Very high0 Ų043.1 Ų43.10%023%0.231CC..EExtended strand (participates in β ladder)trans-124.2148.5179.3-590000111.1V182 F210 H211 L213 I232 M238 L239 V242V182-V234 HydrophobicContact CB-CG1 4.34Å; V182-V234 HydrophobicContact CG1-CG1 4.06Å; V182-V234 HydrophobicContact CG2-CG1 4.02Å; F210-V234 CarbonylContact C-O 3.6Å; F210-V234 WeakPolarHBondContact CA-O 3.48Å; H211-V234 HydrophobicContact CB-CG2 3.88Å; H211-V234 PolarHBondContact N-O 3.24Å; H211-V234 PolarHBondContact O-N 3.02Å; L213-V234 HydrophobicContact CD1-CG1 3.72Å; L213-V234 HydrophobicContact CD1-CG2 4.09Å; L213-V234 HydrophobicContact CD2-CG2 3.9Å; L213-V234 HydrophobicContact CG-CG1 4.3Å; L213-V234 HydrophobicContact CG-CG2 4.1Å; I232-V234 HydrophobicContact CG2-CG1 4.44Å; V234-M238 HydrophobicContact CB-CB 4.12Å; V234-M238 HydrophobicContact CB-CG 4.09Å; V234-M238 HydrophobicContact CG1-CG 4.18Å; V234-L239 HydrophobicContact CG2-CB 4.08Å; V234-L239 HydrophobicContact CG2-CD1 3.85Å; V234-V242 HydrophobicContact CG1-CG2 4.23Å; V234-V242 HydrophobicContact CG2-CG2 4.39Å
235T98.8Very high97.4Very high0 Ų040.5 Ų40.50%023%0.23CC..EExtended strand (participates in β ladder)trans-72.5156.9169.143.40000111.1V169 N179 I181 S209 F210 D237 M238 L239V169-T235 HydrophobicContact CG1-CG2 4.12Å; N179-T235 PolarHBondContact O-OG1 3.26Å; I181-T235 HydrophobicContact CB-CG2 3.94Å; I181-T235 PolarHBondContact N-OG1 2.83Å; I181-T235 VanDerWaalsContact N-OG1 3.15Å; I181-T235 PolarHBondContact O-N 2.7Å; I181-T235 VanDerWaalsContact O-N 3.12Å; I181-T235 PolarHBondContact O-OG1 3.31Å; S209-T235 CarbonylContact O-C 3.58Å; F210-T235 HydrophobicContact CD1-CG2 4.17Å; F210-T235 HydrophobicContact CE1-CG2 3.89Å; T235-D237 VanDerWaalsContact C-N 3.26Å; T235-D237 PolarHBondContact O-N 2.98Å; T235-M238 WeakPolarHBondContact O-CB 3.44Å; T235-M238 PolarHBondContact O-N 2.75Å; T235-M238 VanDerWaalsContact OG1-CB 3.32Å; T235-M238 WeakPolarHBondContact OG1-CB 3.48Å; T235-L239 PolarHBondContact O-N 3.14Å
236A97.2Very high97.6Very high38 Ų3838.6 Ų38.631%0.31422%0.22SC..Hα-helixtrans-56.2-33.8-177.900000114.5S209S209-A236 PolarHBondContact O-N 3.13Å
237D97.1Very high97.7Very high56 Ų5634.6 Ų34.630%0.29920%0.202SC..Hα-helixtrans-74.3-41175.2-72.8-35.3000111.9N179 T235 L239 K240N179-D237 HydrophobicContact CB-CB 4.3Å; N179-D237 WeakPolarHBondContact CB-OD2 3.24Å; N179-D237 PolarHBondContact ND2-OD2 2.89Å; T235-D237 VanDerWaalsContact C-N 3.26Å; T235-D237 PolarHBondContact O-N 2.98Å; D237-L239 VanDerWaalsContact C-N 3.25Å; D237-L239 PolarHBondContact O-N 3.05Å; D237-K240 WeakPolarHBondContact O-CB 3.43Å; D237-K240 PolarHBondContact O-N 3.2Å; D237-K240 IonicContact OD1-NZ 3.1Å; D237-K240 PolarHBondContact OD1-NZ 2.82Å
238M97.8Very high97.7Very high2 Ų239.2 Ų39.21%0.0122%0.223CC..Hα-helixtrans-62.7-32.6175.2-170.862.1-134.700112.5L143 F146 N180 I181 V182 V234 T235 K240 G241 L276L143-M238 HydrophobicContact CD1-CE 3.9Å; L143-M238 HydrophobicContact CD1-SD 3.7Å; F146-M238 HydrophobicContact CB-CE 4.11Å; F146-M238 HydrophobicContact CB-SD 3.78Å; N180-M238 HydrophobicContact CB-SD 3.97Å; I181-M238 WeakPolarHBondContact O-CB 3.3Å; I181-M238 WeakPolarHBondContact O-CG 3.24Å; V182-M238 HydrophobicContact CG2-CE 4.08Å; V182-M238 HydrophobicContact CG2-CG 3.57Å; V182-M238 HydrophobicContact CG2-SD 3.98Å; V234-M238 HydrophobicContact CB-CB 4.12Å; V234-M238 HydrophobicContact CB-CG 4.09Å; V234-M238 HydrophobicContact CG1-CG 4.18Å; T235-M238 WeakPolarHBondContact O-CB 3.44Å; T235-M238 PolarHBondContact O-N 2.75Å; T235-M238 VanDerWaalsContact OG1-CB 3.32Å; T235-M238 WeakPolarHBondContact OG1-CB 3.48Å; M238-K240 PolarHBondContact O-N 2.7Å; M238-K240 VanDerWaalsContact O-N 3.13Å; M238-G241 PolarHBondContact O-N 2.96Å; M238-L276 HydrophobicContact CE-CD1 3.79Å; M238-L276 HydrophobicContact CE-CD2 3.66Å; M238-L276 HydrophobicContact CE-CG 4.29Å
239L97.7Very high97.8Very high62 Ų6240.5 Ų40.533%0.32523%0.23SC..Hα-helixtrans-55.8-31177.5-173.868.6000112.6H211 L213 V234 T235 D237 G241 V242H211-L239 HydrophobicContact CB-CD1 4.24Å; L213-L239 HydrophobicContact CD2-CD1 4.07Å; V234-L239 HydrophobicContact CG2-CB 4.08Å; V234-L239 HydrophobicContact CG2-CD1 3.85Å; T235-L239 PolarHBondContact O-N 3.14Å; D237-L239 VanDerWaalsContact C-N 3.25Å; D237-L239 PolarHBondContact O-N 3.05Å; L239-G241 PolarHBondContact O-N 3.21Å; L239-V242 HydrophobicContact CD1-CB 4.44Å; L239-V242 WeakPolarHBondContact O-CB 3.36Å; L239-V242 PolarHBondContact O-N 3.47Å
240K95.4Very high97.8Very high153 Ų15340 Ų4067%0.66523%0.229SC*.THydrogen-bonded Turntrans-63.8-25.6177.4-60.9165.5-175.5159.40112.8D237 M238D237-K240 WeakPolarHBondContact O-CB 3.43Å; D237-K240 PolarHBondContact O-N 3.2Å; D237-K240 IonicContact OD1-NZ 3.1Å; D237-K240 PolarHBondContact OD1-NZ 2.82Å; M238-K240 PolarHBondContact O-N 2.7Å; M238-K240 VanDerWaalsContact O-N 3.13Å
241G95.5Very high97.8Very high1 Ų142.6 Ų42.61%0.0124%0.242CC..THydrogen-bonded Turntrans-92.10.7175.500000113.8M238 L239 L276 T277M238-G241 PolarHBondContact O-N 2.96Å; L239-G241 PolarHBondContact O-N 3.21Å; G241-L276 CarbonylContact O-C 3.4Å; G241-L276 WeakPolarHBondContact O-CA 3.43Å; G241-T277 PolarHBondContact O-N 2.78Å
242V97.3Very high97.8Very high19 Ų1942.6 Ų42.612%0.11524%0.242CC..BIsolated β-bridgetrans-91.1132.1179.7173.40000110.2L213 V234 L239 Q244 V274 L276L213-V242 HydrophobicContact CD1-CG1 4.03Å; L213-V242 HydrophobicContact CD1-CG2 4.16Å; V234-V242 HydrophobicContact CG1-CG2 4.23Å; V234-V242 HydrophobicContact CG2-CG2 4.39Å; L239-V242 HydrophobicContact CD1-CB 4.44Å; L239-V242 WeakPolarHBondContact O-CB 3.36Å; L239-V242 PolarHBondContact O-N 3.47Å; V242-Q244 PolarHBondContact O-N 3.14Å; V242-V274 HydrophobicContact CG1-CG2 3.73Å; V242-L276 HydrophobicContact CG2-CD2 3.89Å
243V97.1Very high97.7Very high46 Ų4645 Ų4528%0.27925%0.254SS..  trans-68.8114.9168.8-179.10000108.7G245 S246 K275 T277V243-G245 PolarHBondContact O-N 3.49Å; V243-S246 VanDerWaalsContact O-CB 3.24Å; V243-S246 WeakPolarHBondContact O-CB 3.49Å; V243-S246 PolarHBondContact O-N 2.77Å; V243-S246 PolarHBondContact O-OG 3.34Å; V243-K275 HydrophobicContact CB-CB 3.9Å; V243-K275 HydrophobicContact CG2-CB 3.73Å; V243-K275 PolarHBondContact N-O 3.24Å; V243-T277 HydrophobicContact CG2-CG2 3.24Å
244Q95.9Very high97.7Very high193 Ų19347.8 Ų47.890%0.90228%0.277SS*.THydrogen-bonded Turntrans-55.1129.6-177.9-172.5176.8100111.6V242 S246V242-Q244 PolarHBondContact O-N 3.14Å; Q244-S246 PolarHBondContact O-N 3.07Å
245G96.4Very high97.7Very high78 Ų7852.3 Ų52.380%0.80430%0.302SS*.THydrogen-bonded Turntrans73.47179.100000115.2V243V243-G245 PolarHBondContact O-N 3.49Å
246S98.3Very high97.7Very high17 Ų1754.9 Ų54.912%0.11932%0.315CS..  trans-81.5-16.2178.3680000114.5V243 Q244 Q248 K275V243-S246 VanDerWaalsContact O-CB 3.24Å; V243-S246 WeakPolarHBondContact O-CB 3.49Å; V243-S246 PolarHBondContact O-N 2.77Å; V243-S246 PolarHBondContact O-OG 3.34Å; Q244-S246 PolarHBondContact O-N 3.07Å; S246-Q248 PolarHBondContact O-N 2.98Å; S246-K275 PolarHBondContact OG-N 3.25Å; S246-K275 PolarHBondContact OG-O 2.06Å
247A98.7Very high97.7Very high26 Ų2662.2 Ų62.222%0.21534%0.34CS..  trans-73125.2-178.300000110.8L213 I214 E273 V274L213-A247 HydrophobicContact CB-CB 3.6Å; L213-A247 HydrophobicContact CD1-CB 4.42Å; I214-A247 HydrophobicContact CD1-CB 4.25Å; A247-E273 CarbonylContact C-O 3.59Å; A247-E273 WeakPolarHBondContact CA-O 3.22Å; A247-V274 HydrophobicContact CB-CB 4.22Å; A247-V274 HydrophobicContact CB-CG2 4.02Å
248Q98.4Very high97.8Very high102 Ų10261 Ų6148%0.47733%0.333SS..EExtended strand (participates in β ladder)trans-156.5167.9-175.864.2-176.73.300112.2S246 E273S246-Q248 PolarHBondContact O-N 2.98Å; Q248-E273 HydrophobicContact CG-CG 3.73Å; Q248-E273 PolarHBondContact N-O 2.69Å; Q248-E273 PolarHBondContact NE2-OE1 3.48Å; Q248-E273 PolarHBondContact O-N 3.2Å
249V98.8Very high97.8Very high37 Ų3763.8 Ų63.822%0.22435%0.353CS..EExtended strand (participates in β ladder)trans-87.9132.1167-177.10000108.6A218 D219 T220 D251 F270 V272A218-V249 HydrophobicContact CB-CG2 4.12Å; D219-V249 WeakPolarHBondContact O-CG1 3.36Å; T220-V249 HydrophobicContact CG2-CG2 3.88Å; V249-D251 PolarHBondContact O-N 3.18Å; V249-F270 HydrophobicContact CG1-CB 3.37Å; V249-F270 HydrophobicContact CG1-CD2 4.06Å; V249-F270 HydrophobicContact CG1-CG 4Å; V249-V272 HydrophobicContact CG2-CG1 4.29Å
250Y98.8Very high97.9Very high11 Ų1164.7 Ų64.74%0.04336%0.355CS..  trans-92.596.1173178.8-119000110.9I47 R50 F252 N255 P271 E273I47-Y250 HydrophobicContact CG1-CE1 4.22Å; I47-Y250 HydrophobicContact CG2-CD1 4.33Å; I47-Y250 HydrophobicContact CG2-CE1 4.2Å; R50-Y250 VanDerWaalsContact CZ-CD2 3.45Å; Y250-F252 VanDerWaalsContact C-N 3.31Å; Y250-F252 HydrophobicContact CD1-CB 4.01Å; Y250-F252 HydrophobicContact CE1-CB 3.55Å; Y250-F252 PolarHBondContact O-N 2.94Å; Y250-N255 HydrophobicContact CE2-CB 3.7Å; Y250-N255 VanDerWaalsContact CE2-CG 3.43Å; Y250-N255 WeakPolarHBondContact CE2-ND2 3.47Å; Y250-N255 WeakPolarHBondContact OH-CB 3.01Å; Y250-P271 HydrophobicContact CD1-CG 4.16Å; Y250-P271 PolarHBondContact N-O 3.49Å; Y250-P271 WeakPolarHBondContact O-CD 3.48Å; Y250-E273 WeakPolarHBondContact CB-OE2 3.36Å
251D98.6Very high98Very high53 Ų5361.5 Ų61.528%0.28335%0.352SS..  trans-71.184.8173.1-176.9-13.9000110.7V249 M253 A254 N255 F270V249-D251 PolarHBondContact O-N 3.18Å; D251-M253 PolarHBondContact O-N 2.9Å; D251-M253 WeakPolarHBondContact OD1-CA 3.45Å; D251-M253 WeakPolarHBondContact OD1-CB 3.12Å; D251-M253 PolarHBondContact OD1-N 2.79Å; D251-A254 HydrophobicContact CB-CB 4.3Å; D251-A254 PolarHBondContact O-N 3.39Å; D251-A254 PolarHBondContact OD1-N 3.13Å; D251-A254 WeakPolarHBondContact OD2-CB 3.42Å; D251-N255 WeakPolarHBondContact O-CB 3.44Å; D251-N255 PolarHBondContact O-N 3.43Å; D251-N255 PolarHBondContact O-ND2 3.41Å; D251-F270 HydrophobicContact CB-CE1 4.19Å; D251-F270 HydrophobicContact CB-CZ 4.26Å; D251-F270 WeakPolarHBondContact OD1-CE1 3.13Å; D251-F270 VanDerWaalsContact OD1-CZ 3.3Å; D251-F270 WeakPolarHBondContact OD1-CZ 2.93Å
252F98.6Very high98.1Very high0 Ų064 Ų640%037%0.365CS..Hα-helixtrans-66.3-22.3178.966.4-102000112.6F25 I47 V222 Y250 L256 L258 A263 V266 H269 F270 P271F25-F252 HydrophobicContact CE2-CE1 4.06Å; F25-F252 HydrophobicContact CZ-CD1 4.3Å; F25-F252 AromaticContact CZ-CE1 3.85Å; F25-F252 HydrophobicContact CZ-CE1 3.85Å; F25-F252 HydrophobicContact CZ-CZ 4.49Å; I47-F252 HydrophobicContact CD1-CB 3.74Å; I47-F252 HydrophobicContact CD1-CD1 3.93Å; I47-F252 HydrophobicContact CD1-CD2 3.97Å; I47-F252 HydrophobicContact CD1-CG 3.61Å; I47-F252 HydrophobicContact CG1-CB 3.99Å; I47-F252 HydrophobicContact CG1-CG 4.41Å; V222-F252 HydrophobicContact CG2-CE1 3.92Å; V222-F252 HydrophobicContact CG2-CZ 3.7Å; Y250-F252 VanDerWaalsContact C-N 3.31Å; Y250-F252 HydrophobicContact CD1-CB 4.01Å; Y250-F252 HydrophobicContact CE1-CB 3.55Å; Y250-F252 PolarHBondContact O-N 2.94Å; F252-L256 HydrophobicContact CB-CD1 4.38Å; F252-L256 VanDerWaalsContact O-CB 3.23Å; F252-L256 WeakPolarHBondContact O-CB 3.5Å; F252-L256 WeakPolarHBondContact O-CG 3.4Å; F252-L256 PolarHBondContact O-N 3.21Å; F252-L258 HydrophobicContact CD2-CD1 3.84Å; F252-L258 HydrophobicContact CE2-CD1 4.17Å; F252-A263 HydrophobicContact CE2-CB 3.84Å; F252-A263 HydrophobicContact CZ-CB 4.49Å; F252-V266 HydrophobicContact CE2-CB 3.96Å; F252-V266 HydrophobicContact CE2-CG1 4.01Å; F252-V266 HydrophobicContact CE2-CG2 4.48Å; F252-V266 HydrophobicContact CZ-CB 4.12Å; F252-V266 HydrophobicContact CZ-CG1 3.98Å; F252-H269 WeakPolarHBondContact CE1-O 3.39Å; F252-F270 AromaticContact CD1-CD1 3.66Å; F252-F270 HydrophobicContact CD1-CD1 3.66Å; F252-F270 HydrophobicContact CD1-CE1 4.2Å; F252-F270 AromaticContact CE1-CD1 3.65Å; F252-F270 HydrophobicContact CE1-CD1 3.65Å; F252-F270 HydrophobicContact CE1-CE1 4.17Å; F252-F270 HydrophobicContact CG-CD1 4.39Å; F252-F270 HydrophobicContact CZ-CD1 4.38Å; F252-F270 HydrophobicContact CZ-CE1 4.49Å; F252-P271 HydrophobicContact CD1-CG 4.49Å
253M98.6Very high98.2Very high50 Ų5063 Ų6325%0.24636%0.359CS..Hα-helixtrans-65.7-50.9176.8178.1-179.26700109.6D251 K257 L258 H260 A263 F270D251-M253 PolarHBondContact O-N 2.9Å; D251-M253 WeakPolarHBondContact OD1-CA 3.45Å; D251-M253 WeakPolarHBondContact OD1-CB 3.12Å; D251-M253 PolarHBondContact OD1-N 2.79Å; M253-K257 CarbonylContact O-C 3.57Å; M253-K257 WeakPolarHBondContact O-CA 3.45Å; M253-K257 PolarHBondContact O-N 3.4Å; M253-L258 HydrophobicContact CG-CB 4.44Å; M253-L258 PolarHBondContact O-N 3.23Å; M253-H260 HydrophobicContact SD-CB 4.14Å; M253-A263 HydrophobicContact CB-CB 3.73Å; M253-A263 HydrophobicContact CG-CB 3.75Å; M253-A263 HydrophobicContact SD-CB 3.97Å; M253-F270 HydrophobicContact CB-CE1 4.07Å; M253-F270 HydrophobicContact CB-CZ 4.35Å
254A98.3Very high98.3Very high59 Ų5963.9 Ų63.949%0.48836%0.362SS..Hα-helixtrans-67-46.7176.300000111.9D251 L256 K257D251-A254 HydrophobicContact CB-CB 4.3Å; D251-A254 PolarHBondContact O-N 3.39Å; D251-A254 PolarHBondContact OD1-N 3.13Å; D251-A254 WeakPolarHBondContact OD2-CB 3.42Å; A254-L256 PolarHBondContact O-N 2.94Å; A254-K257 PolarHBondContact O-N 3.01Å
255N98.4Very high98.4Very high96 Ų9656.7 Ų56.751%0.51334%0.335SS..Hα-helixtrans-64.7-38.1-175.7-81.1-85.8000112.9Y250 D251Y250-N255 HydrophobicContact CE2-CB 3.7Å; Y250-N255 VanDerWaalsContact CE2-CG 3.43Å; Y250-N255 WeakPolarHBondContact CE2-ND2 3.47Å; Y250-N255 WeakPolarHBondContact OH-CB 3.01Å; D251-N255 WeakPolarHBondContact O-CB 3.44Å; D251-N255 PolarHBondContact O-N 3.43Å; D251-N255 PolarHBondContact O-ND2 3.41Å
256L98.3Very high98.5Very high54 Ų5453 Ų5328%0.28330%0.297SS..THydrogen-bonded Turntrans-974.2179-54.8178.2000113I43 T46 I47 F252 A254 L258I43-L256 HydrophobicContact CG2-CD1 3.86Å; T46-L256 HydrophobicContact CG2-CD1 4.42Å; T46-L256 HydrophobicContact CG2-CD2 3.92Å; I47-L256 HydrophobicContact CG1-CD1 4.13Å; F252-L256 HydrophobicContact CB-CD1 4.38Å; F252-L256 VanDerWaalsContact O-CB 3.23Å; F252-L256 WeakPolarHBondContact O-CB 3.5Å; F252-L256 WeakPolarHBondContact O-CG 3.4Å; F252-L256 PolarHBondContact O-N 3.21Å; A254-L256 PolarHBondContact O-N 2.94Å; L256-L258 VanDerWaalsContact C-N 3.29Å; L256-L258 HydrophobicContact CB-CD1 4.3Å; L256-L258 HydrophobicContact CB-CD2 3.88Å; L256-L258 HydrophobicContact CB-CG 3.84Å; L256-L258 PolarHBondContact O-N 2.96Å
257K98.4Very high98.5Very high192 Ų19252.1 Ų52.184%0.83529%0.291SS*.THydrogen-bonded Turntrans5443.2179.5-55.1177.9-178.4177.30112.8M253 A254M253-K257 CarbonylContact O-C 3.57Å; M253-K257 WeakPolarHBondContact O-CA 3.45Å; M253-K257 PolarHBondContact O-N 3.4Å; A254-K257 PolarHBondContact O-N 3.01Å
258L98.4Very high98.5Very high30 Ų3052.1 Ų52.116%0.15729%0.288CS..  trans-81.1150.9-179.5-50.9-179000110.6I43 F252 M253 L256 L262 A263I43-L258 HydrophobicContact CD1-CD1 4.29Å; I43-L258 HydrophobicContact CD1-CD2 4.17Å; I43-L258 HydrophobicContact CG2-CD1 4.04Å; F252-L258 HydrophobicContact CD2-CD1 3.84Å; F252-L258 HydrophobicContact CE2-CD1 4.17Å; M253-L258 HydrophobicContact CG-CB 4.44Å; M253-L258 PolarHBondContact O-N 3.23Å; L256-L258 VanDerWaalsContact C-N 3.29Å; L256-L258 HydrophobicContact CB-CD1 4.3Å; L256-L258 HydrophobicContact CB-CD2 3.88Å; L256-L258 HydrophobicContact CB-CG 3.84Å; L256-L258 PolarHBondContact O-N 2.96Å; L258-L262 HydrophobicContact CB-CB 4.46Å; L258-L262 HydrophobicContact CD2-CD2 3.96Å; L258-A263 HydrophobicContact CB-CB 4.46Å
259S98.4Very high98.5Very high61 Ų6148 Ų4843%0.42727%0.269SS..  trans-65.4151.9162.165.90000109.6S261 L262 A263S259-S261 PolarHBondContact O-N 2.73Å; S259-S261 PolarHBondContact OG-OG 2.75Å; S259-L262 PolarHBondContact O-N 2.94Å; S259-L262 WeakPolarHBondContact OG-CB 3.33Å; S259-L262 PolarHBondContact OG-N 2.89Å; S259-A263 PolarHBondContact O-N 3.46Å
260H98.4Very high98.5Very high80 Ų8046.9 Ų46.937%0.3726%0.261SS..Hα-helixtrans-55.4-39.4175.8-175-154.1000112.4V222 M253 L262 A263 L264V222-H260 PolarHBondContact O-CD2 2.83Å; V222-H260 PolarHBondContact O-NE2 2.77Å; M253-H260 HydrophobicContact SD-CB 4.14Å; H260-L262 PolarHBondContact O-N 2.97Å; H260-A263 PolarHBondContact O-N 2.68Å; H260-L264 WeakPolarHBondContact O-CB 3.31Å; H260-L264 WeakPolarHBondContact O-CG 3.45Å; H260-L264 PolarHBondContact O-N 3.11Å
261S98.3Very high98.5Very high87 Ų8746.4 Ų46.461%0.60826%0.259SS*.Hα-helixtrans-61.7-39175.655.90000113.7S259 A265S259-S261 PolarHBondContact O-N 2.73Å; S259-S261 PolarHBondContact OG-OG 2.75Å; S261-A265 PolarHBondContact O-N 2.99Å; S261-A265 VanDerWaalsContact O-N 3.13Å
262L98.3Very high98.5Very high52 Ų5243.9 Ų43.927%0.27225%0.245SC..Hα-helixtrans-75.2-36.8178.2-177.557.5000110.8L40 I43 L258 S259 H260 A265 V266L40-L262 HydrophobicContact CD2-CD1 3.97Å; I43-L262 HydrophobicContact CD1-CD1 4.07Å; I43-L262 HydrophobicContact CD1-CD2 4Å; I43-L262 HydrophobicContact CD1-CG 3.98Å; L258-L262 HydrophobicContact CB-CB 4.46Å; L258-L262 HydrophobicContact CD2-CD2 3.96Å; S259-L262 PolarHBondContact O-N 2.94Å; S259-L262 WeakPolarHBondContact OG-CB 3.33Å; S259-L262 PolarHBondContact OG-N 2.89Å; H260-L262 PolarHBondContact O-N 2.97Å; L262-A265 WeakPolarHBondContact O-CB 3.26Å; L262-A265 PolarHBondContact O-N 3.02Å; L262-V266 WeakPolarHBondContact O-CG2 3.2Å; L262-V266 PolarHBondContact O-N 3.31Å; L262-V266 VanDerWaalsContact O-N 3.17Å
263A98.6Very high98.5Very high0 Ų044 Ų440%025%0.246CC..Hα-helixtrans-61.6-46.2173.900000111.6V222 F252 M253 L258 S259 H260 A265 V266 S267V222-A263 HydrophobicContact CG1-CB 3.66Å; F252-A263 HydrophobicContact CE2-CB 3.84Å; F252-A263 HydrophobicContact CZ-CB 4.49Å; M253-A263 HydrophobicContact CB-CB 3.73Å; M253-A263 HydrophobicContact CG-CB 3.75Å; M253-A263 HydrophobicContact SD-CB 3.97Å; L258-A263 HydrophobicContact CB-CB 4.46Å; S259-A263 PolarHBondContact O-N 3.46Å; H260-A263 PolarHBondContact O-N 2.68Å; A263-A265 VanDerWaalsContact C-N 3.25Å; A263-A265 PolarHBondContact O-N 2.92Å; A263-V266 WeakPolarHBondContact O-CA 3.26Å; A263-V266 VanDerWaalsContact O-CB 3.31Å; A263-V266 WeakPolarHBondContact O-CB 3.18Å; A263-V266 PolarHBondContact O-N 2.66Å; A263-S267 PolarHBondContact O-N 3.27Å
264L98.5Very high98.5Very high63 Ų6341.7 Ų41.733%0.3324%0.235SC..Hα-helixtrans-62.6-29.8174.5-75172.2000113.4V222 T223 H260 V266 S267 D268V222-L264 HydrophobicContact CB-CD2 4.27Å; V222-L264 HydrophobicContact CG1-CD2 3.89Å; V222-L264 HydrophobicContact CG1-CG 4.07Å; T223-L264 HydrophobicContact CG2-CD2 4.06Å; H260-L264 WeakPolarHBondContact O-CB 3.31Å; H260-L264 WeakPolarHBondContact O-CG 3.45Å; H260-L264 PolarHBondContact O-N 3.11Å; L264-V266 VanDerWaalsContact C-N 3.29Å; L264-S267 WeakPolarHBondContact CA-O 3.42Å; L264-D268 HydrophobicContact CD2-CB 4.41Å
265A98.4Very high98.5Very high42 Ų4243.2 Ų43.235%0.34723%0.23SC..Hα-helixtrans-68.9-3017300000112.1K34 L40 S261 L262 A263K34-A265 PolarHBondContact NZ-O 3.39Å; L40-A265 HydrophobicContact CD1-CB 4.4Å; L40-A265 HydrophobicContact CD2-CB 3.78Å; S261-A265 PolarHBondContact O-N 2.99Å; S261-A265 VanDerWaalsContact O-N 3.13Å; L262-A265 WeakPolarHBondContact O-CB 3.26Å; L262-A265 PolarHBondContact O-N 3.02Å; A263-A265 VanDerWaalsContact C-N 3.25Å; A263-A265 PolarHBondContact O-N 2.92Å
266V98.6Very high98.5Very high0 Ų038.7 Ų38.70%021%0.206CC..Hα-helixtrans-72.6-59.6172.7175.60000110.3F25 K34 L40 I43 I44 I47 F252 L262 A263 L264F25-V266 HydrophobicContact CZ-CG1 4.13Å; K34-V266 PolarHBondContact NZ-O 3.08Å; L40-V266 HydrophobicContact CD2-CG2 3.92Å; I43-V266 HydrophobicContact CB-CG2 4.13Å; I43-V266 HydrophobicContact CD1-CG2 4.12Å; I43-V266 HydrophobicContact CG2-CG1 4.38Å; I43-V266 HydrophobicContact CG2-CG2 3.66Å; I44-V266 HydrophobicContact CG1-CG1 3.97Å; I47-V266 HydrophobicContact CD1-CG1 4.14Å; F252-V266 HydrophobicContact CE2-CB 3.96Å; F252-V266 HydrophobicContact CE2-CG1 4.01Å; F252-V266 HydrophobicContact CE2-CG2 4.48Å; F252-V266 HydrophobicContact CZ-CB 4.12Å; F252-V266 HydrophobicContact CZ-CG1 3.98Å; L262-V266 WeakPolarHBondContact O-CG2 3.2Å; L262-V266 PolarHBondContact O-N 3.31Å; L262-V266 VanDerWaalsContact O-N 3.17Å; A263-V266 WeakPolarHBondContact O-CA 3.26Å; A263-V266 VanDerWaalsContact O-CB 3.31Å; A263-V266 WeakPolarHBondContact O-CB 3.18Å; A263-V266 PolarHBondContact O-N 2.66Å; L264-V266 VanDerWaalsContact C-N 3.29Å
267S98.7Very high98.1Very high0 Ų038.3 Ų38.30%021%0.206CC..  trans-163.4161.1174.3-163.30000111.1N26 I27 K28 V222 A263 L264 H269N26-S267 WeakPolarHBondContact O-CB 3.5Å; N26-S267 PolarHBondContact O-OG 3.19Å; I27-S267 WeakPolarHBondContact CA-OG 3.44Å; K28-S267 PolarHBondContact N-OG 2.74Å; V222-S267 WeakPolarHBondContact CB-O 3.28Å; V222-S267 WeakPolarHBondContact CG2-O 3.27Å; A263-S267 PolarHBondContact O-N 3.27Å; L264-S267 WeakPolarHBondContact CA-O 3.42Å; S267-H269 PolarHBondContact OG-N 3.09Å
268D98.5Very high98.1Very high26 Ų2630.7 Ų30.714%0.13918%0.175CC..SBendtrans-87.6-3.516744.52.3000113.8K28 T221 V222 T223 L264K28-D268 WeakPolarHBondContact CB-OD1 3.48Å; K28-D268 WeakPolarHBondContact CD-OD2 3.38Å; K28-D268 WeakPolarHBondContact CE-OD2 3.21Å; K28-D268 IonicContact NZ-OD2 3.34Å; K28-D268 PolarHBondContact NZ-OD2 2.81Å; T221-D268 WeakPolarHBondContact CA-O 3.39Å; V222-D268 PolarHBondContact N-O 2.94Å; T223-D268 HydrophobicContact CG2-CB 3.56Å; L264-D268 HydrophobicContact CD2-CB 4.41Å
269H98.8Very high98.1Very high16 Ų1630.7 Ų30.77%0.07418%0.175CC..BIsolated β-bridgetrans-114.4151.2174.6-70.3-114.9000111.4F25 N26 D186 T220 V222 Y229 D230 F252 S267F25-H269 VanDerWaalsContact CE2-O 3.31Å; F25-H269 WeakPolarHBondContact CE2-O 3.47Å; N26-H269 HydrophobicContact CB-CB 4.09Å; D186-H269 IonicContact OD1-CE1 3.38Å; D186-H269 IonicContact OD2-CE1 2.75Å; D186-H269 PolarHBondContact OD2-CE1 3.41Å; D186-H269 VanDerWaalsContact OD2-CE1 3.23Å; D186-H269 IonicContact OD2-ND1 3.99Å; D186-H269 IonicContact OD2-NE2 3.68Å; T220-H269 CarbonylContact O-C 3.58Å; T220-H269 WeakPolarHBondContact O-CA 3.27Å; V222-H269 WeakPolarHBondContact CG2-O 3.19Å; Y229-H269 AromaticContact CD2-CE1 3.96Å; D230-H269 IonicContact OD1-ND1 2.82Å; D230-H269 PolarHBondContact OD1-ND1 3.08Å; D230-H269 IonicContact OD2-CE1 3.01Å; D230-H269 IonicContact OD2-CG 3.02Å; D230-H269 IonicContact OD2-ND1 3.31Å; D230-H269 PolarHBondContact OD2-ND1 3.41Å; F252-H269 WeakPolarHBondContact CE1-O 3.39Å; S267-H269 PolarHBondContact OG-N 3.09Å
270F98.9Very high98.1Very high13 Ų1329 Ų296%0.05716%0.162CC..PPolyproline II helixtrans-93.6146165.6-70.5-57.6000109.9T220 T221 V222 V249 D251 F252 M253T220-F270 PolarHBondContact O-N 3.05Å; T221-F270 WeakPolarHBondContact O-CD2 3.34Å; T221-F270 WeakPolarHBondContact O-CE2 3.46Å; V222-F270 HydrophobicContact CB-CE1 4.43Å; V222-F270 HydrophobicContact CB-CZ 4.32Å; V222-F270 HydrophobicContact CG2-CD1 3.57Å; V222-F270 HydrophobicContact CG2-CD2 4.25Å; V222-F270 HydrophobicContact CG2-CE1 3.49Å; V222-F270 VanDerWaalsContact CG2-CE1 3.49Å; V222-F270 HydrophobicContact CG2-CE2 4.18Å; V222-F270 HydrophobicContact CG2-CG 3.96Å; V222-F270 HydrophobicContact CG2-CZ 3.81Å; V249-F270 HydrophobicContact CG1-CB 3.37Å; V249-F270 HydrophobicContact CG1-CD2 4.06Å; V249-F270 HydrophobicContact CG1-CG 4Å; D251-F270 HydrophobicContact CB-CE1 4.19Å; D251-F270 HydrophobicContact CB-CZ 4.26Å; D251-F270 WeakPolarHBondContact OD1-CE1 3.13Å; D251-F270 VanDerWaalsContact OD1-CZ 3.3Å; D251-F270 WeakPolarHBondContact OD1-CZ 2.93Å; F252-F270 AromaticContact CD1-CD1 3.66Å; F252-F270 HydrophobicContact CD1-CD1 3.66Å; F252-F270 HydrophobicContact CD1-CE1 4.2Å; F252-F270 AromaticContact CE1-CD1 3.65Å; F252-F270 HydrophobicContact CE1-CD1 3.65Å; F252-F270 HydrophobicContact CE1-CE1 4.17Å; F252-F270 HydrophobicContact CG-CD1 4.39Å; F252-F270 HydrophobicContact CZ-CD1 4.38Å; F252-F270 HydrophobicContact CZ-CE1 4.49Å; M253-F270 HydrophobicContact CB-CE1 4.07Å; M253-F270 HydrophobicContact CB-CZ 4.35Å
271P98.9Very high98Very high0 Ų026 Ų260%015%0.149CC..PPolyproline II helixtrans-60.3140.9169.3-1928.4000111.8A24 F25 I47 Y51 Y250 F252A24-P271 CarbonylContact O-C 3.56Å; A24-P271 VanDerWaalsContact O-CA 3.22Å; A24-P271 WeakPolarHBondContact O-CA 3.14Å; F25-P271 HydrophobicContact CB-CB 4.11Å; F25-P271 HydrophobicContact CB-CG 4.08Å; F25-P271 HydrophobicContact CD1-CG 3.86Å; F25-P271 HydrophobicContact CD2-CB 4.35Å; F25-P271 HydrophobicContact CD2-CG 3.68Å; F25-P271 HydrophobicContact CE1-CG 4.13Å; F25-P271 HydrophobicContact CE2-CG 3.99Å; F25-P271 HydrophobicContact CG-CB 4.19Å; F25-P271 HydrophobicContact CG-CG 3.62Å; F25-P271 HydrophobicContact CZ-CG 4.19Å; I47-P271 HydrophobicContact CG2-CG 3.92Å; Y51-P271 WeakPolarHBondContact OH-CB 3.49Å; Y250-P271 HydrophobicContact CD1-CG 4.16Å; Y250-P271 PolarHBondContact N-O 3.49Å; Y250-P271 WeakPolarHBondContact O-CD 3.48Å; F252-P271 HydrophobicContact CD1-CG 4.49Å
272V98.9Very high98Very high0 Ų022.2 Ų22.20%012%0.121CC..EExtended strand (participates in β ladder)trans-98.7138.2162.3-69.90000109.1G23 A24 I214 T220 D230 I232 V249G23-V272 CarbonylContact C-O 3.53Å; G23-V272 VanDerWaalsContact CA-O 3.25Å; G23-V272 WeakPolarHBondContact CA-O 3.42Å; A24-V272 HydrophobicContact CB-CG2 4.06Å; A24-V272 PolarHBondContact N-O 3.3Å; A24-V272 PolarHBondContact O-N 3.41Å; I214-V272 HydrophobicContact CD1-CB 3.98Å; I214-V272 HydrophobicContact CD1-CG1 4.03Å; I214-V272 HydrophobicContact CG1-CB 3.94Å; I214-V272 HydrophobicContact CG1-CG1 3.9Å; I214-V272 HydrophobicContact CG2-CG1 4.26Å; T220-V272 HydrophobicContact CG2-CG1 3.84Å; D230-V272 HydrophobicContact CB-CB 4.46Å; D230-V272 HydrophobicContact CB-CG1 3.66Å; D230-V272 HydrophobicContact CB-CG2 3.96Å; I232-V272 HydrophobicContact CD1-CB 4.14Å; I232-V272 HydrophobicContact CD1-CG2 4.07Å; I232-V272 HydrophobicContact CG1-CB 4.18Å; I232-V272 HydrophobicContact CG1-CG2 3.75Å; V249-V272 HydrophobicContact CG2-CG1 4.29Å
273E98.9Very high98Very high4 Ų420.2 Ų20.22%0.01911%0.11CC..EExtended strand (participates in β ladder)trans-137.4154.4-173.464.2-178.8-147.400112.7L21 L22 R50 Y51 A247 Q248 Y250L21-E273 HydrophobicContact CD1-CB 4.24Å; L21-E273 HydrophobicContact CD1-CG 4.48Å; L22-E273 CarbonylContact O-C 3.57Å; L22-E273 WeakPolarHBondContact O-CA 3.39Å; L22-E273 WeakPolarHBondContact O-CB 3.35Å; R50-E273 IonicContact CZ-OE2 3.52Å; R50-E273 IonicContact NE-OE2 2.7Å; R50-E273 IonicContact NH2-OE1 2.75Å; R50-E273 PolarHBondContact NH2-OE1 3.47Å; R50-E273 IonicContact NH2-OE2 3.74Å; R50-E273 PolarHBondContact NH2-OE2 3.35Å; R50-E273 VanDerWaalsContact NH2-OE2 3.1Å; Y51-E273 HydrophobicContact CE1-CB 3.69Å; Y51-E273 VanDerWaalsContact CE1-OE2 3.28Å; Y51-E273 WeakPolarHBondContact CE1-OE2 3.24Å; Y51-E273 PolarHBondContact OH-OE2 3.14Å; A247-E273 CarbonylContact C-O 3.59Å; A247-E273 WeakPolarHBondContact CA-O 3.22Å; Q248-E273 HydrophobicContact CG-CG 3.73Å; Q248-E273 PolarHBondContact N-O 2.69Å; Q248-E273 PolarHBondContact NE2-OE1 3.48Å; Q248-E273 PolarHBondContact O-N 3.2Å; Y250-E273 WeakPolarHBondContact CB-OE2 3.36Å
274V98.8Very high98Very high1 Ų121.6 Ų21.61%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-150.3147.7176.8670000110.4L22 L213 I232 V242 A247 L276L22-V274 HydrophobicContact CB-CG1 4.08Å; L22-V274 HydrophobicContact CD2-CG1 4.11Å; L22-V274 HydrophobicContact CG-CG1 4.39Å; L22-V274 PolarHBondContact N-O 3.48Å; L22-V274 PolarHBondContact O-N 3.4Å; L213-V274 HydrophobicContact CD1-CG2 3.84Å; I232-V274 HydrophobicContact CD1-CB 3.98Å; I232-V274 HydrophobicContact CD1-CG1 3.89Å; I232-V274 HydrophobicContact CG2-CG1 4.14Å; V242-V274 HydrophobicContact CG1-CG2 3.73Å; A247-V274 HydrophobicContact CB-CB 4.22Å; A247-V274 HydrophobicContact CB-CG2 4.02Å; V274-L276 HydrophobicContact CG1-CD2 4.5Å
275K98.3Very high97.9Very high90 Ų9018.5 Ų18.539%0.39110%0.102SC..EExtended strand (participates in β ladder)trans-96.9137.1172.9-67178.3-179.5-179.20111.6L20 L21 V243 S246L20-K275 CarbonylContact O-C 3.58Å; L20-K275 VanDerWaalsContact O-CA 3.28Å; L20-K275 WeakPolarHBondContact O-CA 3.45Å; L21-K275 HydrophobicContact CD1-CG 3.67Å; V243-K275 HydrophobicContact CB-CB 3.9Å; V243-K275 HydrophobicContact CG2-CB 3.73Å; V243-K275 PolarHBondContact N-O 3.24Å; S246-K275 PolarHBondContact OG-N 3.25Å; S246-K275 PolarHBondContact OG-O 2.06Å
276L96.7Very high97.9Very high1 Ų116.5 Ų16.51%0.0058%0.082CC..EExtended strand (participates in β ladder)trans-107.5142.9171.1-51.9-178000110S19 L20 L22 T141 F146 M238 G241 V242 V274S19-L276 CarbonylContact C-O 3.52Å; S19-L276 WeakPolarHBondContact CA-O 3.29Å; S19-L276 WeakPolarHBondContact CB-O 3.37Å; L20-L276 HydrophobicContact CB-CB 4.37Å; L20-L276 HydrophobicContact CD2-CD1 4.38Å; L20-L276 PolarHBondContact N-O 3.17Å; L20-L276 PolarHBondContact O-N 3.14Å; L22-L276 HydrophobicContact CD2-CD1 4.5Å; T141-L276 HydrophobicContact CG2-CB 3.86Å; F146-L276 HydrophobicContact CD1-CD1 4.34Å; F146-L276 HydrophobicContact CD2-CD1 4.3Å; F146-L276 HydrophobicContact CE1-CD1 4.39Å; F146-L276 HydrophobicContact CE2-CD1 4.34Å; F146-L276 HydrophobicContact CG-CD1 4.3Å; F146-L276 HydrophobicContact CZ-CD1 4.38Å; M238-L276 HydrophobicContact CE-CD1 3.79Å; M238-L276 HydrophobicContact CE-CD2 3.66Å; M238-L276 HydrophobicContact CE-CG 4.29Å; G241-L276 CarbonylContact O-C 3.4Å; G241-L276 WeakPolarHBondContact O-CA 3.43Å; V242-L276 HydrophobicContact CG2-CD2 3.89Å; V274-L276 HydrophobicContact CG1-CD2 4.5Å
277T90.8Very high97.8Very high47 Ų4718 Ų1829%0.2889%0.089SC..  trans-123.10175.644.10000112.6T141 A142 G241 V243T141-T277 CarbonylContact C-O 3.44Å; T141-T277 VanDerWaalsContact CA-C 3.45Å; T141-T277 WeakPolarHBondContact CA-O 3.01Å; T141-T277 VanDerWaalsContact CA-OXT 3.29Å; T141-T277 WeakPolarHBondContact CA-OXT 3.09Å; A142-T277 WeakPolarHBondContact CB-O 3.19Å; A142-T277 PolarHBondContact N-O 3.17Å; A142-T277 PolarHBondContact N-OXT 3.2Å; G241-T277 PolarHBondContact O-N 2.78Å; V243-T277 HydrophobicContact CG2-CG2 3.24Å

Retrieved 277 of 277 residues in 915.8 ms (Link to these results)

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