A0A093HL77_STRCA Loading...

small monomeric GTPase

AlphaFold DB (A0A803W9A8), UniProt , Accession A0A093HL77, Species STRCA (Struthio camelus australis), Gene n/a, Length 281 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.7Very low50.1Low247 Ų247129.9 Ų129.9100%1.21777%0.77SS**  0100.30-78.1174.1164.300107.5
2G35.9Very low53.2Low77 Ų77126.7 Ų126.779%0.79475%0.747SS**  trans-79.9124.3178.400000109.9Q4G2-Q4 PolarHBondContact O-N 2.85Å; G2-Q4 VanDerWaalsContact O-N 3.12Å
3T39.3Very low56Low144 Ų144119.9 Ų119.988%0.88370%0.701SS**  trans-61107.1168.626.80000108.8G5T3-G5 VanDerWaalsContact C-N 3.35Å; T3-G5 PolarHBondContact O-N 2.75Å
4Q38.6Very low58.5Low197 Ų197115.9 Ų115.992%0.92167%0.674SS**  trans-6699.2165.2-72.8-14817.100107.8G2 S6G2-Q4 PolarHBondContact O-N 2.85Å; G2-Q4 VanDerWaalsContact O-N 3.12Å; Q4-S6 PolarHBondContact O-N 3.21Å
5G38.4Very low60.9Low64 Ų64108.4 Ų108.466%0.6663%0.631SS**PPolyproline II helixtrans-59.8127.5164.300000108T3T3-G5 VanDerWaalsContact C-N 3.35Å; T3-G5 PolarHBondContact O-N 2.75Å
6S40.6Very low62.9Low104 Ų104103.6 Ų103.673%0.72760%0.6SS**PPolyproline II helixtrans-47.8134.6166.752.20000108.9Q4 V8Q4-S6 PolarHBondContact O-N 3.21Å; S6-V8 PolarHBondContact O-N 3.36Å; S6-V8 VanDerWaalsContact O-N 3.17Å
7P47.9Very low64.8Low120 Ų12097.5 Ų97.578%0.77957%0.565SS**PPolyproline II helixtrans-54.1128.3-179.921.4-31.3000108.9K9P7-K9 PolarHBondContact O-N 2.93Å
8V52.4Low66.3Low139 Ų13992.1 Ų92.184%0.84253%0.533SS*.  trans-53.9115.8175.8179.40000106.7S6 S10S6-V8 PolarHBondContact O-N 3.36Å; S6-V8 VanDerWaalsContact O-N 3.17Å; V8-S10 PolarHBondContact O-N 3.35Å
9K57.8Low67.7Low184 Ų18487.3 Ų87.380%0.851%0.505SS*.  trans-58114177-76.4-176.1177.5-178.80107.8P7 Y11P7-K9 PolarHBondContact O-N 2.93Å; K9-Y11 PolarHBondContact O-N 3.48Å
10S79.7Confident68.9Low81 Ų8182.9 Ų82.957%0.56648%0.48SS*.SBendtrans-72.9-7.7-177.953.20000113.3V8 R62V8-S10 PolarHBondContact O-N 3.35Å; S10-R62 WeakPolarHBondContact O-CD 3.21Å
11Y85.3Confident70Confident72 Ų7279 Ų7928%0.28246%0.457SS..  trans-145152.2179.660.1-91.8000111.6K9 Y13 L14 K64K9-Y11 PolarHBondContact O-N 3.48Å; Y11-Y13 VanDerWaalsContact CD2-O 3.28Å; Y11-Y13 WeakPolarHBondContact CD2-O 3.46Å; Y11-L14 HydrophobicContact CD2-CB 4.34Å; Y11-L14 HydrophobicContact CE2-CB 3.74Å; Y11-K64 HydrophobicContact CD1-CB 4.01Å; Y11-K64 HydrophobicContact CD1-CD 3.54Å; Y11-K64 HydrophobicContact CD1-CG 4.41Å; Y11-K64 HydrophobicContact CD2-CB 4.07Å; Y11-K64 HydrophobicContact CE1-CD 3.62Å; Y11-K64 HydrophobicContact CG-CB 3.7Å; Y11-K64 HydrophobicContact CG-CD 4.14Å
12D86.9Confident72.6Confident91 Ų9169.5 Ų69.549%0.48741%0.411SS..SBendtrans-84.1-38.6176.6-61.6-72.4000111.5R61 R62D12-R61 HydrophobicContact CB-CB 4.22Å; D12-R61 VanDerWaalsContact OD2-CA 3.31Å; D12-R61 WeakPolarHBondContact OD2-CA 3.34Å; D12-R61 WeakPolarHBondContact OD2-CB 3.44Å; D12-R62 PolarHBondContact N-O 2.97Å; D12-R62 PolarHBondContact OD2-N 2.64Å
13Y89.5Confident75Confident39 Ų3969.3 Ų69.315%0.15340%0.398CS..EExtended strand (participates in β ladder)trans-133.8146.3-177.1-59.1-54.1000111.9Y11 R61 R62 V63 K64 L175 M180 I183Y11-Y13 VanDerWaalsContact CD2-O 3.28Å; Y11-Y13 WeakPolarHBondContact CD2-O 3.46Å; Y13-R61 PolarHBondContact OH-NH1 3.46Å; Y13-R62 PolarHBondContact N-O 3.19Å; Y13-V63 HydrophobicContact CD2-CG2 4.12Å; Y13-K64 PolarHBondContact O-N 2.93Å; Y13-L175 HydrophobicContact CD1-CD2 4.09Å; Y13-L175 HydrophobicContact CD2-CD1 3.88Å; Y13-L175 HydrophobicContact CD2-CD2 3.88Å; Y13-L175 HydrophobicContact CE2-CD1 4.32Å; Y13-L175 HydrophobicContact CE2-CD2 4.32Å; Y13-L175 HydrophobicContact CG-CD1 4.47Å; Y13-L175 HydrophobicContact CG-CD2 3.74Å; Y13-M180 HydrophobicContact CD1-CE 4.01Å; Y13-M180 HydrophobicContact CD1-SD 4.15Å; Y13-M180 HydrophobicContact CE1-CE 3.12Å; Y13-M180 HydrophobicContact CE1-SD 3.69Å; Y13-M180 WeakPolarHBondContact OH-CE 3.19Å; Y13-I183 WeakPolarHBondContact OH-CG2 3.4Å
14L91.5Very high77.3Confident63 Ų6368.3 Ų68.333%0.3339%0.387SS..EExtended strand (participates in β ladder)trans-117.4123.2170.2-175.965.5000108Y11 K64 E66Y11-L14 HydrophobicContact CD2-CB 4.34Å; Y11-L14 HydrophobicContact CE2-CB 3.74Å; L14-K64 CarbonylContact C-O 3.57Å; L14-K64 WeakPolarHBondContact CA-O 3.26Å; L14-K64 HydrophobicContact CD1-CB 3.85Å; L14-K64 HydrophobicContact CD1-CD 3.92Å; L14-K64 HydrophobicContact CD1-CG 3.73Å; L14-E66 HydrophobicContact CD1-CG 3.72Å; L14-E66 HydrophobicContact CG-CG 4.42Å
15L93.6Very high79.9Confident4 Ų458.9 Ų58.92%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-123.6131.4177.7-58.3-179.6000110.7F17 V63 K64 L65 E66 Q88 V174 L175L15-F17 HydrophobicContact CB-CD1 4.36Å; L15-F17 HydrophobicContact CB-CE1 3.78Å; L15-F17 HydrophobicContact CB-CZ 4.06Å; L15-F17 HydrophobicContact CD1-CE1 4.05Å; L15-F17 HydrophobicContact CD1-CZ 3.76Å; L15-V63 HydrophobicContact CD1-CG1 3.69Å; L15-V63 HydrophobicContact CG-CG1 3.9Å; L15-K64 PolarHBondContact N-O 2.66Å; L15-L65 HydrophobicContact CB-CD2 3.88Å; L15-L65 HydrophobicContact CD1-CD2 4.2Å; L15-L65 HydrophobicContact CG-CD2 4.44Å; L15-L65 CarbonylContact O-C 3.5Å; L15-L65 WeakPolarHBondContact O-CA 3.3Å; L15-E66 PolarHBondContact O-N 3.22Å; L15-Q88 VanDerWaalsContact CA-OE1 3.3Å; L15-V174 HydrophobicContact CD1-CG1 4.34Å; L15-V174 HydrophobicContact CD2-CG1 3.82Å; L15-L175 HydrophobicContact CD1-CD1 4.4Å; L15-L175 HydrophobicContact CD1-CD2 4.42Å; L15-L175 HydrophobicContact CD1-CG 4.14Å; L15-L175 HydrophobicContact CD2-CD2 4.01Å; L15-L175 HydrophobicContact CD2-CG 4.49Å
16K93Very high82.4Confident32 Ų3256.2 Ų56.214%0.13932%0.316CS..EExtended strand (participates in β ladder)trans-95.6115.1173.5178.7177.8169.2-1740110.7E66 Y83 R85 Q88 G89K16-E66 CarbonylContact C-O 3.13Å; K16-E66 WeakPolarHBondContact CA-O 3.39Å; K16-Y83 VanDerWaalsContact CE-O 3.3Å; K16-Y83 WeakPolarHBondContact CE-O 3.08Å; K16-Y83 PolarHBondContact NZ-O 3.34Å; K16-R85 PolarHBondContact NZ-O 2.76Å; K16-Q88 PolarHBondContact O-N 2.85Å; K16-G89 PolarHBondContact O-N 3.35Å
17F94.8Very high84.8Confident0 Ų051.5 Ų51.50%028%0.282CS..EExtended strand (participates in β ladder)trans-113.9148.8176-63.4-16.2000112.9L15 L65 E66 L67 W68 G89 L91 F167 L170 S171 V174L15-F17 HydrophobicContact CB-CD1 4.36Å; L15-F17 HydrophobicContact CB-CE1 3.78Å; L15-F17 HydrophobicContact CB-CZ 4.06Å; L15-F17 HydrophobicContact CD1-CE1 4.05Å; L15-F17 HydrophobicContact CD1-CZ 3.76Å; F17-L65 HydrophobicContact CD2-CD1 4.41Å; F17-L65 HydrophobicContact CD2-CD2 4.25Å; F17-L65 HydrophobicContact CE2-CD1 4.2Å; F17-L65 HydrophobicContact CE2-CD2 3.76Å; F17-L65 HydrophobicContact CZ-CD2 4.1Å; F17-E66 PolarHBondContact N-O 3.32Å; F17-L67 HydrophobicContact CB-CD2 3.83Å; F17-L67 HydrophobicContact CD2-CD2 4.06Å; F17-L67 HydrophobicContact CG-CD2 4.38Å; F17-L67 WeakPolarHBondContact O-CA 2.81Å; F17-W68 PolarHBondContact O-N 3.33Å; F17-G89 VanDerWaalsContact CA-O 3.24Å; F17-G89 WeakPolarHBondContact CA-O 3.31Å; F17-L91 HydrophobicContact CB-CD1 4.06Å; F17-L91 HydrophobicContact CD2-CD1 4.25Å; F17-L91 HydrophobicContact CG-CD1 4.44Å; F17-F167 HydrophobicContact CD2-CD1 4.03Å; F17-F167 HydrophobicContact CE2-CD1 4.48Å; F17-L170 HydrophobicContact CD1-CD2 4.15Å; F17-L170 HydrophobicContact CD2-CD2 3.79Å; F17-L170 HydrophobicContact CD2-CG 4.4Å; F17-L170 HydrophobicContact CE1-CD2 4.22Å; F17-L170 HydrophobicContact CE1-CG 4.11Å; F17-L170 HydrophobicContact CE2-CB 4.23Å; F17-L170 HydrophobicContact CE2-CD2 3.83Å; F17-L170 HydrophobicContact CE2-CG 3.94Å; F17-L170 HydrophobicContact CG-CD2 3.97Å; F17-L170 HydrophobicContact CZ-CB 4.33Å; F17-L170 HydrophobicContact CZ-CD2 4.06Å; F17-L170 HydrophobicContact CZ-CG 3.79Å; F17-S171 WeakPolarHBondContact CE2-OG 3.42Å; F17-S171 WeakPolarHBondContact CZ-OG 3.29Å; F17-V174 HydrophobicContact CE1-CG2 4.03Å
18L92.7Very high86.8Confident0 Ų046.5 Ų46.50%025%0.252CS..EExtended strand (participates in β ladder)trans-115.2137.2174.7-54.6-175.8000110.4V20 W68 T70 F80 A87 G89 I90 L91L18-V20 HydrophobicContact CB-CG2 4.2Å; L18-W68 HydrophobicContact CD2-CB 3.51Å; L18-W68 HydrophobicContact CD2-CG 3.82Å; L18-T70 HydrophobicContact CB-CG2 4.25Å; L18-T70 HydrophobicContact CD1-CG2 4.39Å; L18-T70 HydrophobicContact CD2-CG2 4.06Å; L18-T70 HydrophobicContact CG-CG2 4.47Å; L18-F80 HydrophobicContact CD1-CE2 4.19Å; L18-A87 HydrophobicContact CD1-CB 3.58Å; L18-A87 HydrophobicContact CG-CB 3.74Å; L18-G89 PolarHBondContact N-O 2.84Å; L18-G89 VanDerWaalsContact N-O 3.08Å; L18-I90 HydrophobicContact CB-CG1 4.43Å; L18-I90 WeakPolarHBondContact O-CA 3.31Å; L18-L91 PolarHBondContact O-N 3.32Å
19L92.9Very high88.7Confident0 Ų042.9 Ų42.90%023%0.226CC..EExtended strand (participates in β ladder)trans-99.1124.2167.3-7473000108.4K27 I30 L31 L67 W68 T70 S71 L91 F167L19-K27 HydrophobicContact CB-CB 4.26Å; L19-K27 HydrophobicContact CB-CD 4.33Å; L19-K27 HydrophobicContact CB-CG 4.1Å; L19-K27 HydrophobicContact CD2-CB 3.95Å; L19-K27 HydrophobicContact CD2-CG 4.3Å; L19-I30 HydrophobicContact CD2-CB 4.47Å; L19-I30 HydrophobicContact CD2-CG2 4.28Å; L19-L31 HydrophobicContact CD1-CD2 3.83Å; L19-L31 HydrophobicContact CD2-CD1 4.34Å; L19-L31 HydrophobicContact CD2-CD2 3.75Å; L19-L31 HydrophobicContact CD2-CG 3.79Å; L19-L31 HydrophobicContact CG-CD2 4.46Å; L19-L67 HydrophobicContact CD1-CB 4.37Å; L19-W68 PolarHBondContact N-O 3.08Å; L19-T70 PolarHBondContact O-N 3.07Å; L19-T70 VanDerWaalsContact O-N 3.15Å; L19-T70 PolarHBondContact O-OG1 3.49Å; L19-S71 PolarHBondContact O-OG 3.18Å; L19-L91 HydrophobicContact CD1-CD1 4.15Å; L19-L91 HydrophobicContact CG-CB 4.28Å; L19-L91 HydrophobicContact CG-CD1 4.44Å; L19-F167 HydrophobicContact CD1-CE1 4.34Å
20V92Very high90.3Very high0 Ų034.3 Ų34.30%019%0.189CC..EExtended strand (participates in β ladder)trans-130.3131.8-171.8-175.30000109.1L18 S71 F80 I90 L91 L92 V93 W108L18-V20 HydrophobicContact CB-CG2 4.2Å; V20-S71 WeakPolarHBondContact CA-OG 3.46Å; V20-F80 HydrophobicContact CG1-CE2 4.38Å; V20-F80 HydrophobicContact CG2-CD2 4.22Å; V20-F80 HydrophobicContact CG2-CE2 3.61Å; V20-I90 HydrophobicContact CB-CG2 4.27Å; V20-I90 HydrophobicContact CG2-CG2 3.71Å; V20-L91 PolarHBondContact N-O 3.32Å; V20-L92 HydrophobicContact CB-CD2 4.19Å; V20-L92 HydrophobicContact CG1-CD2 4.17Å; V20-L92 CarbonylContact O-C 3.58Å; V20-L92 WeakPolarHBondContact O-CA 3.45Å; V20-V93 PolarHBondContact O-N 2.92Å; V20-W108 HydrophobicContact CG1-CB 3.9Å; V20-W108 HydrophobicContact CG1-CD2 3.52Å; V20-W108 HydrophobicContact CG1-CE3 3.22Å; V20-W108 HydrophobicContact CG1-CG 3.84Å; V20-W108 HydrophobicContact CG1-CZ3 3.89Å
21G91.6Very high90.9Very high0 Ų030.7 Ų30.70%016%0.163CC..  trans166.7174.117600000111.8K27 S71 V93 W108G21-K27 PolarHBondContact O-NZ 3.22Å; G21-S71 PolarHBondContact N-OG 3.1Å; G21-S71 WeakPolarHBondContact O-CB 3.09Å; G21-S71 PolarHBondContact O-OG 2.85Å; G21-V93 WeakPolarHBondContact CA-O 3.43Å; G21-W108 WeakPolarHBondContact O-CZ2 3.32Å
22D89.4Confident91Very high48 Ų4833.8 Ų33.826%0.25718%0.18SC..  trans-62.4157.5-179.2-80.19.3000112.9V25 K27 W108D22-V25 HydrophobicContact CB-CG1 4.05Å; D22-V25 VanDerWaalsContact O-CG1 3.29Å; D22-V25 WeakPolarHBondContact O-CG1 3.47Å; D22-V25 WeakPolarHBondContact O-CG2 3.48Å; D22-K27 PolarHBondContact O-NZ 3.46Å; D22-W108 PolarHBondContact OD1-NE1 3.01Å
23S86.7Confident91.1Very high74 Ų7430.9 Ų30.952%0.51717%0.167SC..THydrogen-bonded Turntrans-55.5145.7173.9-60.70000111V25S23-V25 VanDerWaalsContact C-N 3.28Å; S23-V25 PolarHBondContact O-N 3.32Å
24D88.3Confident90.9Very high122 Ų12229.3 Ų29.365%0.65216%0.162SC*.THydrogen-bonded Turntrans63.222.9177.3-166.528.7000116.2G26 R127D24-G26 VanDerWaalsContact C-N 3.27Å; D24-R127 PolarHBondContact O-NH1 2.8Å; D24-R127 VanDerWaalsContact O-NH1 3.07Å; D24-R127 PolarHBondContact O-NH2 2.76Å; D24-R127 VanDerWaalsContact O-NH2 3.16Å; D24-R127 IonicContact OD1-CZ 3.7Å; D24-R127 IonicContact OD1-NH1 2.91Å; D24-R127 IonicContact OD1-NH2 3.49Å; D24-R127 PolarHBondContact OD1-NH2 2.78Å
25V93.1Very high90.1Very high0 Ų034.4 Ų34.40%018%0.183CC..SBendtrans-82.9-2.5167.8-580000113.5D22 S23 K27 V93 D95 N126D22-V25 HydrophobicContact CB-CG1 4.05Å; D22-V25 VanDerWaalsContact O-CG1 3.29Å; D22-V25 WeakPolarHBondContact O-CG1 3.47Å; D22-V25 WeakPolarHBondContact O-CG2 3.48Å; S23-V25 VanDerWaalsContact C-N 3.28Å; S23-V25 PolarHBondContact O-N 3.32Å; V25-K27 HydrophobicContact CG2-CD 3.97Å; V25-K27 HydrophobicContact CG2-CG 3.93Å; V25-V93 HydrophobicContact CB-CG1 4.38Å; V25-V93 HydrophobicContact CG2-CB 4.06Å; V25-V93 HydrophobicContact CG2-CG1 3.84Å; V25-D95 HydrophobicContact CB-CB 4.4Å; V25-D95 HydrophobicContact CG1-CB 4.48Å; V25-N126 WeakPolarHBondContact O-CB 3.4Å; V25-N126 PolarHBondContact O-ND2 3.18Å
26G91.4Very high88.7Confident7 Ų740.2 Ų40.27%0.07222%0.215CC..SBendtrans82.634.9177.400000116.1D24 E29 I30 N126D24-G26 VanDerWaalsContact C-N 3.27Å; G26-E29 WeakPolarHBondContact O-CB 3.43Å; G26-E29 PolarHBondContact O-N 3.29Å; G26-I30 WeakPolarHBondContact O-CG1 3.27Å; G26-I30 PolarHBondContact O-N 3Å; G26-I30 VanDerWaalsContact O-N 3.12Å; G26-N126 WeakPolarHBondContact CA-ND2 3.32Å; G26-N126 PolarHBondContact O-ND2 2.95Å
27K91.4Very high86.7Confident5 Ų539.8 Ų39.82%0.02222%0.219CC..Hα-helixtrans-64.6-42.1172.5-65.3152.4-58.9-134.90112.1L19 G21 D22 V25 E29 I30 L31 S71 V93L19-K27 HydrophobicContact CB-CB 4.26Å; L19-K27 HydrophobicContact CB-CD 4.33Å; L19-K27 HydrophobicContact CB-CG 4.1Å; L19-K27 HydrophobicContact CD2-CB 3.95Å; L19-K27 HydrophobicContact CD2-CG 4.3Å; G21-K27 PolarHBondContact O-NZ 3.22Å; D22-K27 PolarHBondContact O-NZ 3.46Å; V25-K27 HydrophobicContact CG2-CD 3.97Å; V25-K27 HydrophobicContact CG2-CG 3.93Å; K27-E29 VanDerWaalsContact C-N 3.3Å; K27-E29 PolarHBondContact O-N 3.22Å; K27-I30 WeakPolarHBondContact O-CB 3.46Å; K27-I30 PolarHBondContact O-N 3.49Å; K27-I30 VanDerWaalsContact O-N 3.16Å; K27-L31 WeakPolarHBondContact O-CG 3.5Å; K27-L31 PolarHBondContact O-N 3.02Å; K27-S71 VanDerWaalsContact CD-CB 3.48Å; K27-S71 WeakPolarHBondContact CE-O 3.45Å; K27-S71 PolarHBondContact NZ-O 2.83Å; K27-V93 HydrophobicContact CD-CB 4.47Å; K27-V93 HydrophobicContact CG-CB 3.88Å; K27-V93 HydrophobicContact CG-CG1 4.15Å; K27-V93 HydrophobicContact CG-CG2 3.91Å
28G89.3Confident84.1Confident15 Ų1543.6 Ų43.616%0.15525%0.251CS..Hα-helixtrans-54.8-45.8171.100000111.9I30 L31 E32G28-I30 VanDerWaalsContact C-N 3.33Å; G28-I30 PolarHBondContact O-N 2.93Å; G28-L31 PolarHBondContact O-N 2.85Å; G28-L31 VanDerWaalsContact O-N 3.13Å; G28-E32 WeakPolarHBondContact O-CB 2.92Å; G28-E32 VanDerWaalsContact O-CG 3.3Å; G28-E32 WeakPolarHBondContact O-CG 3.02Å; G28-E32 PolarHBondContact O-N 3.12Å
29E91.6Very high81.8Confident64 Ų6449.5 Ų49.530%0.29929%0.292SS..Hα-helixtrans-57.7-43.9176.3-55.2165.6-156.800111.8G26 K27 S33 N126 R127 P157G26-E29 WeakPolarHBondContact O-CB 3.43Å; G26-E29 PolarHBondContact O-N 3.29Å; K27-E29 VanDerWaalsContact C-N 3.3Å; K27-E29 PolarHBondContact O-N 3.22Å; E29-S33 WeakPolarHBondContact O-CB 3.35Å; E29-S33 PolarHBondContact O-N 3.25Å; E29-S33 PolarHBondContact O-OG 2.87Å; E29-N126 PolarHBondContact OE2-ND2 3.13Å; E29-R127 IonicContact OE1-CZ 3.69Å; E29-R127 IonicContact OE1-NE 3.64Å; E29-R127 PolarHBondContact OE1-NE 2.88Å; E29-R127 IonicContact OE1-NH2 3.76Å; E29-R127 PolarHBondContact OE1-NH2 3.13Å; E29-R127 IonicContact OE2-NE 3.9Å; E29-P157 HydrophobicContact CB-CB 4.24Å; E29-P157 HydrophobicContact CB-CG 4.21Å; E29-P157 WeakPolarHBondContact O-CB 3.47Å
30I92.8Very high79.5Confident3 Ų357.1 Ų57.12%0.01533%0.328CS..Hα-helixtrans-61.5-48.1175.9-66.7166.6000110.4L19 G26 K27 G28 S33 V93 V124 N126 V155 P157 V163 F167L19-I30 HydrophobicContact CD2-CB 4.47Å; L19-I30 HydrophobicContact CD2-CG2 4.28Å; G26-I30 WeakPolarHBondContact O-CG1 3.27Å; G26-I30 PolarHBondContact O-N 3Å; G26-I30 VanDerWaalsContact O-N 3.12Å; K27-I30 WeakPolarHBondContact O-CB 3.46Å; K27-I30 PolarHBondContact O-N 3.49Å; K27-I30 VanDerWaalsContact O-N 3.16Å; G28-I30 VanDerWaalsContact C-N 3.33Å; G28-I30 PolarHBondContact O-N 2.93Å; I30-S33 PolarHBondContact O-N 3.39Å; I30-S33 PolarHBondContact O-OG 2.98Å; I30-V93 HydrophobicContact CD1-CG1 3.75Å; I30-V93 HydrophobicContact CD1-CG2 4.2Å; I30-V124 HydrophobicContact CD1-CG1 4.36Å; I30-N126 HydrophobicContact CD1-CB 4.23Å; I30-V155 HydrophobicContact CD1-CG2 4.12Å; I30-V155 HydrophobicContact CG1-CG2 4.34Å; I30-P157 HydrophobicContact CB-CG 4.26Å; I30-P157 HydrophobicContact CG1-CG 3.56Å; I30-V163 HydrophobicContact CG2-CG1 4.24Å; I30-F167 HydrophobicContact CG2-CE2 3.71Å; I30-F167 HydrophobicContact CG2-CZ 3.82Å
31L90.9Very high77.2Confident5 Ų558.6 Ų58.63%0.02634%0.338CS..Hα-helixtrans-63.5-45.3179.5-67.5178.9000111.7L19 K27 G28 S33 L34 K52 L67 D69L19-L31 HydrophobicContact CD1-CD2 3.83Å; L19-L31 HydrophobicContact CD2-CD1 4.34Å; L19-L31 HydrophobicContact CD2-CD2 3.75Å; L19-L31 HydrophobicContact CD2-CG 3.79Å; L19-L31 HydrophobicContact CG-CD2 4.46Å; K27-L31 WeakPolarHBondContact O-CG 3.5Å; K27-L31 PolarHBondContact O-N 3.02Å; G28-L31 PolarHBondContact O-N 2.85Å; G28-L31 VanDerWaalsContact O-N 3.13Å; L31-S33 VanDerWaalsContact C-N 3.31Å; L31-S33 PolarHBondContact O-N 3.47Å; L31-L34 WeakPolarHBondContact O-CB 3.35Å; L31-L34 PolarHBondContact O-N 3.39Å; L31-K52 HydrophobicContact CB-CD 4.27Å; L31-K52 WeakPolarHBondContact O-CD 3.49Å; L31-K52 VanDerWaalsContact O-CE 3.22Å; L31-K52 WeakPolarHBondContact O-CE 3.13Å; L31-K52 PolarHBondContact O-NZ 2.88Å; L31-L67 HydrophobicContact CD2-CB 3.62Å; L31-L67 HydrophobicContact CD2-CD1 3.55Å; L31-L67 HydrophobicContact CD2-CG 4.21Å; L31-D69 HydrophobicContact CD1-CB 3.75Å
32E88.1Confident74.8Confident137 Ų13763.6 Ų63.664%0.6437%0.371SS*.Hα-helixtrans-60.4-39.4178.9-75.3174.1-174.100112G28 L34 K52G28-E32 WeakPolarHBondContact O-CB 2.92Å; G28-E32 VanDerWaalsContact O-CG 3.3Å; G28-E32 WeakPolarHBondContact O-CG 3.02Å; G28-E32 PolarHBondContact O-N 3.12Å; E32-L34 PolarHBondContact O-N 3Å; E32-K52 PolarHBondContact O-NZ 2.94Å
33S88.2Confident72.6Confident30 Ų3070.8 Ų70.821%0.2140%0.395CS..Hα-helixtrans-65.8-19.717970.70000114.7E29 I30 L31E29-S33 WeakPolarHBondContact O-CB 3.35Å; E29-S33 PolarHBondContact O-N 3.25Å; E29-S33 PolarHBondContact O-OG 2.87Å; I30-S33 PolarHBondContact O-N 3.39Å; I30-S33 PolarHBondContact O-OG 2.98Å; L31-S33 VanDerWaalsContact C-N 3.31Å; L31-S33 PolarHBondContact O-N 3.47Å
34L86.3Confident70.5Confident7 Ų771.1 Ų71.14%0.03740%0.403CS..SBendtrans-73.2130.8176-67.6168000110.5L31 E32 K52 T54 L67 V163 I164 F167L31-L34 WeakPolarHBondContact O-CB 3.35Å; L31-L34 PolarHBondContact O-N 3.39Å; E32-L34 PolarHBondContact O-N 3Å; L34-K52 VanDerWaalsContact O-CE 3.31Å; L34-K52 WeakPolarHBondContact O-CE 3.41Å; L34-K52 PolarHBondContact O-NZ 3.42Å; L34-T54 HydrophobicContact CD1-CG2 4.14Å; L34-L67 HydrophobicContact CD1-CD1 3.23Å; L34-V163 HydrophobicContact CD2-CG1 3.79Å; L34-V163 HydrophobicContact CG-CG1 4.2Å; L34-I164 HydrophobicContact CD2-CG1 4.44Å; L34-F167 HydrophobicContact CD1-CD2 4.13Å; L34-F167 HydrophobicContact CD1-CE1 4.48Å; L34-F167 HydrophobicContact CD1-CE2 3.65Å; L34-F167 HydrophobicContact CD1-CZ 3.85Å; L34-F167 HydrophobicContact CD2-CD2 3.97Å; L34-F167 HydrophobicContact CD2-CE2 4.09Å; L34-F167 HydrophobicContact CG-CE2 4.22Å
35Q75.2Confident68Low169 Ų16974.4 Ų74.479%0.7941%0.407SS*.  trans-66.5140.8174.8-64.1178.58.500110.6G37 T54Q35-G37 PolarHBondContact O-N 3.46Å; Q35-G37 VanDerWaalsContact O-N 3.13Å; Q35-T54 PolarHBondContact O-OG1 2.95Å
36D63.8Low65.6Low127 Ų12780 Ų8068%0.67945%0.446SS*.  trans-67.5112.2176-69.3-28.8000109.3A38 K52D36-A38 VanDerWaalsContact C-N 3.27Å; D36-A38 PolarHBondContact O-N 3.06Å; D36-K52 VanDerWaalsContact OD1-CE 3.22Å; D36-K52 WeakPolarHBondContact OD1-CE 3.4Å; D36-K52 IonicContact OD1-NZ 3.69Å
37G50Low63.1Low22 Ų2287 Ų8723%0.22748%0.482CS..  trans-74.281.4176.900000110.5Q35Q35-G37 PolarHBondContact O-N 3.46Å; Q35-G37 VanDerWaalsContact O-N 3.13Å
38A41.2Very low61.1Low81 Ų8189.3 Ų89.367%0.66951%0.508SS*.  trans60.4127.5174.200000116.2D36 E40D36-A38 VanDerWaalsContact C-N 3.27Å; D36-A38 PolarHBondContact O-N 3.06Å; A38-E40 PolarHBondContact O-N 3.25Å
39S42.9Very low59.5Low124 Ų12493.9 Ų93.987%0.86753%0.527SS*.SBendtrans-61.851.9-179.646.50000115.9
40E45.2Very low58.5Low159 Ų15993.9 Ų93.974%0.74353%0.53SS*.  trans-124.239.6-176.8-67.8-79143.500111.7A38A38-E40 PolarHBondContact O-N 3.25Å
41S43.5Very low58Low31 Ų3197.5 Ų97.522%0.21754%0.544CS..  trans-129.5111.4165.3-178.40000109.7Y43 A44S41-Y43 PolarHBondContact O-N 2.92Å; S41-Y43 PolarHBondContact OG-N 3.38Å; S41-A44 VanDerWaalsContact O-CB 3.27Å; S41-A44 WeakPolarHBondContact O-CB 3.25Å; S41-A44 PolarHBondContact O-N 3.46Å
42P42.6Very low57.8Low106 Ų10699 Ų9969%0.68855%0.55SS*.THydrogen-bonded Turntrans-65.1-3.7170.625.4-30.9000112.9
43Y42.3Very low57.9Low198 Ų19893.7 Ų93.778%0.77653%0.527SS*.THydrogen-bonded Turntrans-96.70.6171.6-52.1-68.1000113.5S41 Y45S41-Y43 PolarHBondContact O-N 2.92Å; S41-Y43 PolarHBondContact OG-N 3.38Å; Y43-Y45 PolarHBondContact O-N 2.86Å
44A43.6Very low57.9Low81 Ų8192.6 Ų92.667%0.66952%0.519SS*.  trans-73.85.3175.100000113.4S41 S46S41-A44 VanDerWaalsContact O-CB 3.27Å; S41-A44 WeakPolarHBondContact O-CB 3.25Å; S41-A44 PolarHBondContact O-N 3.46Å; A44-S46 PolarHBondContact O-N 3.49Å; A44-S46 VanDerWaalsContact O-N 3.16Å
45Y35.6Very low58.1Low191 Ų19194.3 Ų94.375%0.74953%0.53SS*.SBendtrans-74.9101.3172.9-87.1-85.3000110.4Y43 N47Y43-Y45 PolarHBondContact O-N 2.86Å; Y45-N47 VanDerWaalsContact C-N 3.27Å; Y45-N47 PolarHBondContact O-N 3.37Å
46S41.4Very low58.8Low117 Ų11786.9 Ų86.982%0.81850%0.495SS*.SBendtrans29.149.3144.6-169.70000117.6A44A44-S46 PolarHBondContact O-N 3.49Å; A44-S46 VanDerWaalsContact O-N 3.16Å
47N39.1Very low59.9Low154 Ų15486.6 Ų86.682%0.82449%0.493SS*.  trans-119.479.9174.4-81.610000109.2Y45Y45-N47 VanDerWaalsContact C-N 3.27Å; Y45-N47 PolarHBondContact O-N 3.37Å
48G49.6Very low61.7Low55 Ų5585.8 Ų85.857%0.56748%0.483SS*.  trans71.8149.9170.300000114.4D50G48-D50 PolarHBondContact O-N 3.04Å
49I55.3Low63.7Low110 Ų11084.9 Ų84.956%0.56447%0.468SS*.THydrogen-bonded Turntrans-70.68.6-175.8-65.8159000112.1
50D71.8Confident65.5Low65 Ų6581.6 Ų81.635%0.34845%0.453SS..THydrogen-bonded Turntrans-86.1-14.4-164-55.2-26.9000114G48 W68 D69G48-D50 PolarHBondContact O-N 3.04Å; D50-W68 WeakPolarHBondContact O-CA 3.23Å; D50-D69 PolarHBondContact O-N 2.68Å
51Y82Confident67.4Low79 Ų7976.9 Ų76.931%0.3143%0.428SS..EExtended strand (participates in β ladder)trans-144.7130.4-177.9178.7-100.9000112.9T53 E66 L67 W68Y51-T53 WeakPolarHBondContact CE1-OG1 3.23Å; Y51-T53 PolarHBondContact OH-OG1 3.13Å; Y51-E66 HydrophobicContact CE2-CB 3.96Å; Y51-E66 HydrophobicContact CE2-CG 4.35Å; Y51-E66 PolarHBondContact OH-OE1 3.42Å; Y51-L67 CarbonylContact C-O 3.59Å; Y51-L67 WeakPolarHBondContact CA-O 3.46Å; Y51-W68 AromaticContact CD2-CD2 3.63Å; Y51-W68 HydrophobicContact CD2-CD2 3.63Å; Y51-W68 AromaticContact CD2-CE2 3.38Å; Y51-W68 AromaticContact CD2-CE3 3.84Å; Y51-W68 HydrophobicContact CD2-CE3 3.84Å; Y51-W68 HydrophobicContact CD2-CG 4.27Å; Y51-W68 AromaticContact CD2-CH2 3.67Å; Y51-W68 HydrophobicContact CD2-CH2 3.67Å; Y51-W68 AromaticContact CD2-CZ2 3.44Å; Y51-W68 HydrophobicContact CD2-CZ2 3.44Å; Y51-W68 VanDerWaalsContact CD2-CZ2 3.44Å; Y51-W68 AromaticContact CD2-CZ3 3.84Å; Y51-W68 HydrophobicContact CD2-CZ3 3.84Å; Y51-W68 AromaticContact CD2-NE1 3.84Å; Y51-W68 HydrophobicContact CE2-CD2 4.31Å; Y51-W68 AromaticContact CE2-CE2 3.6Å; Y51-W68 HydrophobicContact CE2-CH2 4.07Å; Y51-W68 AromaticContact CE2-CZ2 3.49Å; Y51-W68 HydrophobicContact CE2-CZ2 3.49Å; Y51-W68 VanDerWaalsContact CE2-CZ2 3.49Å; Y51-W68 AromaticContact CE2-NE1 3.78Å; Y51-W68 HydrophobicContact CG-CE3 4.45Å; Y51-W68 HydrophobicContact CG-CH2 4.33Å; Y51-W68 HydrophobicContact CG-CZ2 4.48Å; Y51-W68 HydrophobicContact CG-CZ3 4.29Å
52K86.2Confident69.6Low36 Ų3682.6 Ų82.616%0.15745%0.445CS..EExtended strand (participates in β ladder)trans-135.8144.3173.5-176.5164.7-177.9162.10111.2L31 E32 L34 D36 L67L31-K52 HydrophobicContact CB-CD 4.27Å; L31-K52 WeakPolarHBondContact O-CD 3.49Å; L31-K52 VanDerWaalsContact O-CE 3.22Å; L31-K52 WeakPolarHBondContact O-CE 3.13Å; L31-K52 PolarHBondContact O-NZ 2.88Å; E32-K52 PolarHBondContact O-NZ 2.94Å; L34-K52 VanDerWaalsContact O-CE 3.31Å; L34-K52 WeakPolarHBondContact O-CE 3.41Å; L34-K52 PolarHBondContact O-NZ 3.42Å; D36-K52 VanDerWaalsContact OD1-CE 3.22Å; D36-K52 WeakPolarHBondContact OD1-CE 3.4Å; D36-K52 IonicContact OD1-NZ 3.69Å; K52-L67 HydrophobicContact CB-CB 4.49Å; K52-L67 PolarHBondContact N-O 3.18Å; K52-L67 WeakPolarHBondContact O-CA 3.47Å; K52-L67 WeakPolarHBondContact O-CB 3.36Å; K52-L67 PolarHBondContact O-N 3.38Å
53T89.4Confident71.9Confident26 Ų2677.6 Ų77.616%0.1641%0.412CS..EExtended strand (participates in β ladder)trans-114.6130.8172.4-65.20000110Y51 K64 L65Y51-T53 WeakPolarHBondContact CE1-OG1 3.23Å; Y51-T53 PolarHBondContact OH-OG1 3.13Å; T53-K64 HydrophobicContact CG2-CD 4.18Å; T53-K64 HydrophobicContact CG2-CG 3.93Å; T53-L65 VanDerWaalsContact CA-O 3.32Å; T53-L65 WeakPolarHBondContact CA-O 3.45Å
54T89.4Confident74.3Confident6 Ų670 Ų704%0.03738%0.384CS..EExtended strand (participates in β ladder)trans-134.8165.7171.5-170.80000110.4L34 Q35 K64 L65 L67L34-T54 HydrophobicContact CD1-CG2 4.14Å; Q35-T54 PolarHBondContact O-OG1 2.95Å; T54-K64 CarbonylContact O-C 3.54Å; T54-K64 WeakPolarHBondContact O-CA 3.08Å; T54-L65 HydrophobicContact CG2-CB 3.98Å; T54-L65 HydrophobicContact CG2-CD1 4.16Å; T54-L65 HydrophobicContact CG2-CG 4.41Å; T54-L65 PolarHBondContact N-O 3.37Å; T54-L65 PolarHBondContact O-N 3.06Å; T54-L67 HydrophobicContact CG2-CD1 4Å
55T90.3Very high76.6Confident43 Ų4366.2 Ų66.226%0.26435%0.352SS..EExtended strand (participates in β ladder)trans-126122.7174.8-59.90000108.8R62 V63T55-R62 HydrophobicContact CG2-CB 4.11Å; T55-V63 CarbonylContact C-O 3.57Å; T55-V63 WeakPolarHBondContact CA-O 3.41Å
56I90.5Very high79.3Confident13 Ų1359.4 Ų59.47%0.06733%0.327CS..EExtended strand (participates in β ladder)trans-105.6156.5174.864.8166.1000110.5V63 L65I56-V63 HydrophobicContact CG1-CB 3.95Å; I56-V63 PolarHBondContact N-O 3.42Å; I56-V63 PolarHBondContact O-N 3.44Å; I56-L65 HydrophobicContact CD1-CD1 3.97Å; I56-L65 HydrophobicContact CG1-CD1 4.08Å; I56-L65 HydrophobicContact CG1-CG 4.28Å; I56-L65 HydrophobicContact CG2-CD1 4Å
57L86.9Confident81.7Confident122 Ų12253.8 Ų53.864%0.63929%0.288SS*.EExtended strand (participates in β ladder)trans-99.4112.6172-170.572.4000109R61 R62L57-R61 WeakPolarHBondContact CA-O 3.27Å; L57-R62 HydrophobicContact CD1-CG 4.42Å
58L87.5Confident84.1Confident4 Ų449.1 Ų49.12%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-115.5112.1177.2178.870.3000108.9G60 R61 V63 T168 R172 L175L58-G60 PolarHBondContact O-N 2.96Å; L58-G60 VanDerWaalsContact O-N 3.17Å; L58-R61 PolarHBondContact N-O 2.84Å; L58-R61 WeakPolarHBondContact O-CB 3.29Å; L58-R61 PolarHBondContact O-N 3.4Å; L58-V63 HydrophobicContact CB-CG2 3.84Å; L58-V63 HydrophobicContact CD2-CG2 4.27Å; L58-T168 HydrophobicContact CD1-CG2 3.43Å; L58-T168 VanDerWaalsContact CD1-CG2 3.43Å; L58-R172 HydrophobicContact CD1-CB 4.31Å; L58-R172 HydrophobicContact CD2-CB 4.45Å; L58-L175 HydrophobicContact CD2-CD1 3.57Å
59D82.1Confident85.8Confident63 Ų6347.2 Ų47.234%0.33724%0.235SC..THydrogen-bonded Turntrans52.138.8177.4-53.2-55.4000114R61 W184 N187D59-R61 VanDerWaalsContact C-N 3.35Å; D59-W184 WeakPolarHBondContact OD2-CZ2 3.3Å; D59-W184 PolarHBondContact OD2-NE1 3.49Å; D59-N187 PolarHBondContact O-ND2 3.33Å
60G80.9Confident86.5Confident54 Ų5442.7 Ų42.756%0.55721%0.213SC*.THydrogen-bonded Turntrans82.16.8-178.900000114.9L58L58-G60 PolarHBondContact O-N 2.96Å; L58-G60 VanDerWaalsContact O-N 3.17Å
61R85.5Confident86Confident61 Ų6140.1 Ų40.123%0.2320%0.2CC..EExtended strand (participates in β ladder)trans-111142.3176-59.1-179.6-174.6-120.2-4.8111.1D12 Y13 L57 L58 D59 I183D12-R61 HydrophobicContact CB-CB 4.22Å; D12-R61 VanDerWaalsContact OD2-CA 3.31Å; D12-R61 WeakPolarHBondContact OD2-CA 3.34Å; D12-R61 WeakPolarHBondContact OD2-CB 3.44Å; Y13-R61 PolarHBondContact OH-NH1 3.46Å; L57-R61 WeakPolarHBondContact CA-O 3.27Å; L58-R61 PolarHBondContact N-O 2.84Å; L58-R61 WeakPolarHBondContact O-CB 3.29Å; L58-R61 PolarHBondContact O-N 3.4Å; D59-R61 VanDerWaalsContact C-N 3.35Å; R61-I183 VanDerWaalsContact CZ-CG2 3.41Å; R61-I183 PolarHBondContact NH2-O 3.26Å
62R88.8Confident84.5Confident151 Ų15139 Ų3957%0.5721%0.213SC*.EExtended strand (participates in β ladder)trans-85112.9177.3-69.3176.8-179.1-94.7-0.9109S10 D12 Y13 T55 L57S10-R62 WeakPolarHBondContact O-CD 3.21Å; D12-R62 PolarHBondContact N-O 2.97Å; D12-R62 PolarHBondContact OD2-N 2.64Å; Y13-R62 PolarHBondContact N-O 3.19Å; T55-R62 HydrophobicContact CG2-CB 4.11Å; L57-R62 HydrophobicContact CD1-CG 4.42Å
63V91.1Very high82.7Confident0 Ų043 Ų430%023%0.232CC..EExtended strand (participates in β ladder)trans-107.2111.9177.4-174.30000108.2Y13 L15 T55 I56 L58 L65 L175Y13-V63 HydrophobicContact CD2-CG2 4.12Å; L15-V63 HydrophobicContact CD1-CG1 3.69Å; L15-V63 HydrophobicContact CG-CG1 3.9Å; T55-V63 CarbonylContact C-O 3.57Å; T55-V63 WeakPolarHBondContact CA-O 3.41Å; I56-V63 HydrophobicContact CG1-CB 3.95Å; I56-V63 PolarHBondContact N-O 3.42Å; I56-V63 PolarHBondContact O-N 3.44Å; L58-V63 HydrophobicContact CB-CG2 3.84Å; L58-V63 HydrophobicContact CD2-CG2 4.27Å; V63-L65 HydrophobicContact CG1-CD2 3.76Å; V63-L175 HydrophobicContact CG2-CD1 4.28Å
64K92.5Very high80.9Confident40 Ų4045.3 Ų45.317%0.17426%0.261CS..EExtended strand (participates in β ladder)trans-80.7126.1172.9-171.8171.7-177.9179.30108.6Y11 Y13 L14 L15 T53 T54Y11-K64 HydrophobicContact CD1-CB 4.01Å; Y11-K64 HydrophobicContact CD1-CD 3.54Å; Y11-K64 HydrophobicContact CD1-CG 4.41Å; Y11-K64 HydrophobicContact CD2-CB 4.07Å; Y11-K64 HydrophobicContact CE1-CD 3.62Å; Y11-K64 HydrophobicContact CG-CB 3.7Å; Y11-K64 HydrophobicContact CG-CD 4.14Å; Y13-K64 PolarHBondContact O-N 2.93Å; L14-K64 CarbonylContact C-O 3.57Å; L14-K64 WeakPolarHBondContact CA-O 3.26Å; L14-K64 HydrophobicContact CD1-CB 3.85Å; L14-K64 HydrophobicContact CD1-CD 3.92Å; L14-K64 HydrophobicContact CD1-CG 3.73Å; L15-K64 PolarHBondContact N-O 2.66Å; T53-K64 HydrophobicContact CG2-CD 4.18Å; T53-K64 HydrophobicContact CG2-CG 3.93Å; T54-K64 CarbonylContact O-C 3.54Å; T54-K64 WeakPolarHBondContact O-CA 3.08Å
65L93.3Very high78.9Confident0 Ų053.2 Ų53.20%029%0.291CS..EExtended strand (participates in β ladder)trans-108127.6179.1-55.7-176.9000109.6L15 F17 T53 T54 I56 V63 L67 F167L15-L65 HydrophobicContact CB-CD2 3.88Å; L15-L65 HydrophobicContact CD1-CD2 4.2Å; L15-L65 HydrophobicContact CG-CD2 4.44Å; L15-L65 CarbonylContact O-C 3.5Å; L15-L65 WeakPolarHBondContact O-CA 3.3Å; F17-L65 HydrophobicContact CD2-CD1 4.41Å; F17-L65 HydrophobicContact CD2-CD2 4.25Å; F17-L65 HydrophobicContact CE2-CD1 4.2Å; F17-L65 HydrophobicContact CE2-CD2 3.76Å; F17-L65 HydrophobicContact CZ-CD2 4.1Å; T53-L65 VanDerWaalsContact CA-O 3.32Å; T53-L65 WeakPolarHBondContact CA-O 3.45Å; T54-L65 HydrophobicContact CG2-CB 3.98Å; T54-L65 HydrophobicContact CG2-CD1 4.16Å; T54-L65 HydrophobicContact CG2-CG 4.41Å; T54-L65 PolarHBondContact N-O 3.37Å; T54-L65 PolarHBondContact O-N 3.06Å; I56-L65 HydrophobicContact CD1-CD1 3.97Å; I56-L65 HydrophobicContact CG1-CD1 4.08Å; I56-L65 HydrophobicContact CG1-CG 4.28Å; I56-L65 HydrophobicContact CG2-CD1 4Å; V63-L65 HydrophobicContact CG1-CD2 3.76Å; L65-L67 HydrophobicContact CB-CD2 3.85Å; L65-L67 HydrophobicContact CB-CG 4.25Å; L65-L67 HydrophobicContact CD1-CD2 4.44Å; L65-F167 HydrophobicContact CD1-CB 3.98Å; L65-F167 HydrophobicContact CD1-CD1 4.2Å; L65-F167 HydrophobicContact CD1-CG 4.35Å
66E92.6Very high77Confident48 Ų4859.3 Ų59.322%0.22431%0.314CS..EExtended strand (participates in β ladder)trans-100.5105.1168.1-63.8-170.5137.700108.3L14 L15 K16 F17 Y51L14-E66 HydrophobicContact CD1-CG 3.72Å; L14-E66 HydrophobicContact CG-CG 4.42Å; L15-E66 PolarHBondContact O-N 3.22Å; K16-E66 CarbonylContact C-O 3.13Å; K16-E66 WeakPolarHBondContact CA-O 3.39Å; F17-E66 PolarHBondContact N-O 3.32Å; Y51-E66 HydrophobicContact CE2-CB 3.96Å; Y51-E66 HydrophobicContact CE2-CG 4.35Å; Y51-E66 PolarHBondContact OH-OE1 3.42Å
67L91.3Very high75.1Confident0 Ų060.3 Ų60.30%032%0.321CS..EExtended strand (participates in β ladder)trans-101.2128.3-174.1-52.2-179.4000109.3F17 L19 L31 L34 Y51 K52 T54 L65 F167F17-L67 HydrophobicContact CB-CD2 3.83Å; F17-L67 HydrophobicContact CD2-CD2 4.06Å; F17-L67 HydrophobicContact CG-CD2 4.38Å; F17-L67 WeakPolarHBondContact O-CA 2.81Å; L19-L67 HydrophobicContact CD1-CB 4.37Å; L31-L67 HydrophobicContact CD2-CB 3.62Å; L31-L67 HydrophobicContact CD2-CD1 3.55Å; L31-L67 HydrophobicContact CD2-CG 4.21Å; L34-L67 HydrophobicContact CD1-CD1 3.23Å; Y51-L67 CarbonylContact C-O 3.59Å; Y51-L67 WeakPolarHBondContact CA-O 3.46Å; K52-L67 HydrophobicContact CB-CB 4.49Å; K52-L67 PolarHBondContact N-O 3.18Å; K52-L67 WeakPolarHBondContact O-CA 3.47Å; K52-L67 WeakPolarHBondContact O-CB 3.36Å; K52-L67 PolarHBondContact O-N 3.38Å; T54-L67 HydrophobicContact CG2-CD1 4Å; L65-L67 HydrophobicContact CB-CD2 3.85Å; L65-L67 HydrophobicContact CB-CG 4.25Å; L65-L67 HydrophobicContact CD1-CD2 4.44Å; L67-F167 HydrophobicContact CD1-CE1 3.98Å; L67-F167 HydrophobicContact CD1-CZ 4.22Å; L67-F167 HydrophobicContact CD2-CD1 4.03Å; L67-F167 HydrophobicContact CD2-CE1 3.69Å; L67-F167 HydrophobicContact CG-CE1 4.49Å
68W88.6Confident73.5Confident55 Ų5558.9 Ų58.921%0.20832%0.318CS..EExtended strand (participates in β ladder)trans-115.7125.1176.5-59.877.7000109.7F17 L18 L19 D50 Y51 T70 Y83F17-W68 PolarHBondContact O-N 3.33Å; L18-W68 HydrophobicContact CD2-CB 3.51Å; L18-W68 HydrophobicContact CD2-CG 3.82Å; L19-W68 PolarHBondContact N-O 3.08Å; D50-W68 WeakPolarHBondContact O-CA 3.23Å; Y51-W68 AromaticContact CD2-CD2 3.63Å; Y51-W68 HydrophobicContact CD2-CD2 3.63Å; Y51-W68 AromaticContact CD2-CE2 3.38Å; Y51-W68 AromaticContact CD2-CE3 3.84Å; Y51-W68 HydrophobicContact CD2-CE3 3.84Å; Y51-W68 HydrophobicContact CD2-CG 4.27Å; Y51-W68 AromaticContact CD2-CH2 3.67Å; Y51-W68 HydrophobicContact CD2-CH2 3.67Å; Y51-W68 AromaticContact CD2-CZ2 3.44Å; Y51-W68 HydrophobicContact CD2-CZ2 3.44Å; Y51-W68 VanDerWaalsContact CD2-CZ2 3.44Å; Y51-W68 AromaticContact CD2-CZ3 3.84Å; Y51-W68 HydrophobicContact CD2-CZ3 3.84Å; Y51-W68 AromaticContact CD2-NE1 3.84Å; Y51-W68 HydrophobicContact CE2-CD2 4.31Å; Y51-W68 AromaticContact CE2-CE2 3.6Å; Y51-W68 HydrophobicContact CE2-CH2 4.07Å; Y51-W68 AromaticContact CE2-CZ2 3.49Å; Y51-W68 HydrophobicContact CE2-CZ2 3.49Å; Y51-W68 VanDerWaalsContact CE2-CZ2 3.49Å; Y51-W68 AromaticContact CE2-NE1 3.78Å; Y51-W68 HydrophobicContact CG-CE3 4.45Å; Y51-W68 HydrophobicContact CG-CH2 4.33Å; Y51-W68 HydrophobicContact CG-CZ2 4.48Å; Y51-W68 HydrophobicContact CG-CZ3 4.29Å; W68-T70 HydrophobicContact CB-CG2 4.42Å; W68-T70 PolarHBondContact O-N 3.39Å; W68-Y83 AromaticContact CD2-CD1 3.92Å; W68-Y83 HydrophobicContact CD2-CD1 3.92Å; W68-Y83 HydrophobicContact CD2-CE1 4.28Å; W68-Y83 AromaticContact CE3-CD1 3.4Å; W68-Y83 HydrophobicContact CE3-CD1 3.4Å; W68-Y83 VanDerWaalsContact CE3-CD1 3.4Å; W68-Y83 AromaticContact CE3-CE1 3.32Å; W68-Y83 HydrophobicContact CE3-CE1 3.32Å; W68-Y83 HydrophobicContact CE3-CG 4.39Å; W68-Y83 HydrophobicContact CH2-CD1 4.5Å; W68-Y83 HydrophobicContact CH2-CE1 4.22Å; W68-Y83 AromaticContact CZ3-CD1 3.75Å; W68-Y83 HydrophobicContact CZ3-CD1 3.75Å; W68-Y83 AromaticContact CZ3-CE1 3.29Å; W68-Y83 HydrophobicContact CZ3-CE1 3.29Å
69D85.3Confident72.4Confident15 Ų1561.4 Ų61.48%0.0833%0.331CS..EExtended strand (participates in β ladder)trans-82.1112.7167.1-166-11.8000108.2L31 D50 S71L31-D69 HydrophobicContact CD1-CB 3.75Å; D50-D69 PolarHBondContact O-N 2.68Å; D69-S71 PolarHBondContact OD1-N 3.49Å
70T69.8Low71.9Confident16 Ų1658.6 Ų58.610%0.09832%0.315CS..  trans-988.2-178.862.80000112.8L18 L19 W68 F80 Y83L18-T70 HydrophobicContact CB-CG2 4.25Å; L18-T70 HydrophobicContact CD1-CG2 4.39Å; L18-T70 HydrophobicContact CD2-CG2 4.06Å; L18-T70 HydrophobicContact CG-CG2 4.47Å; L19-T70 PolarHBondContact O-N 3.07Å; L19-T70 VanDerWaalsContact O-N 3.15Å; L19-T70 PolarHBondContact O-OG1 3.49Å; W68-T70 HydrophobicContact CB-CG2 4.42Å; W68-T70 PolarHBondContact O-N 3.39Å; T70-F80 HydrophobicContact CG2-CD2 4.49Å; T70-Y83 HydrophobicContact CG2-CD2 4.24Å; T70-Y83 HydrophobicContact CG2-CG 4.34Å
71S61.7Low71.4Confident10 Ų1061.9 Ų61.97%0.0731%0.311CS..  trans-144.386.3-157.9-50.20000114.5L19 V20 G21 K27 D69L19-S71 PolarHBondContact O-OG 3.18Å; V20-S71 WeakPolarHBondContact CA-OG 3.46Å; G21-S71 PolarHBondContact N-OG 3.1Å; G21-S71 WeakPolarHBondContact O-CB 3.09Å; G21-S71 PolarHBondContact O-OG 2.85Å; K27-S71 VanDerWaalsContact CD-CB 3.48Å; K27-S71 WeakPolarHBondContact CE-O 3.45Å; K27-S71 PolarHBondContact NZ-O 2.83Å; D69-S71 PolarHBondContact OD1-N 3.49Å
72G52Low70.9Confident57 Ų5763.1 Ų63.159%0.58833%0.329SS*.SBendtrans-174.4-19.3175.800000114.8
73Q47.3Very low70.3Confident118 Ų11859 Ų5955%0.55131%0.314SS*.SBendtrans-92121.5166.1-68.7-169.410.900108.8R75Q73-R75 PolarHBondContact O-N 2.98Å
74G51.7Low69.7Low75 Ų7559.3 Ų59.377%0.77332%0.316SS*.SBendtrans-63.439.7172.400000114.3
75R47.8Very low69.2Low173 Ų17367.4 Ų67.465%0.65335%0.346SS*.SBendtrans-127.777.6-179.8-64.4-163.7175.499.71.5110.3Q73 I79Q73-R75 PolarHBondContact O-N 2.98Å; R75-I79 WeakPolarHBondContact O-CD1 3.46Å
76F49.5Very low68.8Low171 Ų17170 Ų7075%0.7537%0.373SS*.  trans61.4148.7146.8-52.9-76.1000119.7T78 I79F76-T78 PolarHBondContact O-N 3.39Å; F76-I79 PolarHBondContact O-N 2.85Å
77C50.6Low68.8Low33 Ų3368.2 Ų68.222%0.22337%0.366CS..Hα-helixtrans-47.5-18175.6-55.50000115I79 F80 R81 E111C77-I79 VanDerWaalsContact C-N 3.28Å; C77-I79 PolarHBondContact O-N 3.49Å; C77-F80 PolarHBondContact O-N 3.31Å; C77-R81 WeakPolarHBondContact O-CG 3.44Å; C77-R81 PolarHBondContact O-N 3.36Å; C77-E111 PolarHBondContact SG-OE1 2.92Å; C77-E111 PolarHBondContact SG-OE2 3.48Å
78T53.1Low68.9Low92 Ų9270.7 Ų70.756%0.56438%0.378SS*.Hα-helixtrans-56.8-36.3176.4-44.60000113.7F76 S82F76-T78 PolarHBondContact O-N 3.39Å; T78-S82 PolarHBondContact O-OG 2.92Å
79I64.2Low69.2Low57 Ų5768.1 Ų68.129%0.29237%0.368SS..Hα-helixtrans-71.4-46.1178.8-63.1-177.5000109.7R75 F76 C77 R81 S82 Y83R75-I79 WeakPolarHBondContact O-CD1 3.46Å; F76-I79 PolarHBondContact O-N 2.85Å; C77-I79 VanDerWaalsContact C-N 3.28Å; C77-I79 PolarHBondContact O-N 3.49Å; I79-R81 VanDerWaalsContact C-N 3.32Å; I79-R81 PolarHBondContact O-N 2.97Å; I79-S82 PolarHBondContact O-N 3.03Å; I79-S82 VanDerWaalsContact O-N 3.17Å; I79-Y83 HydrophobicContact CG2-CD2 3.64Å; I79-Y83 HydrophobicContact CG2-CE2 3.32Å; I79-Y83 WeakPolarHBondContact O-CD2 3.42Å; I79-Y83 PolarHBondContact O-N 2.94Å
80F71.7Confident69.7Low4 Ų467.4 Ų67.42%0.01836%0.364CS..Hα-helixtrans-56.1-44.1175.6179.4-102.2000112.1L18 V20 T70 C77 S82 Y83 S84 E111 I112 H115L18-F80 HydrophobicContact CD1-CE2 4.19Å; V20-F80 HydrophobicContact CG1-CE2 4.38Å; V20-F80 HydrophobicContact CG2-CD2 4.22Å; V20-F80 HydrophobicContact CG2-CE2 3.61Å; T70-F80 HydrophobicContact CG2-CD2 4.49Å; C77-F80 PolarHBondContact O-N 3.31Å; F80-S82 VanDerWaalsContact C-N 3.29Å; F80-S82 PolarHBondContact O-N 3.31Å; F80-Y83 PolarHBondContact O-N 2.86Å; F80-Y83 VanDerWaalsContact O-N 3.14Å; F80-S84 VanDerWaalsContact O-CB 3.3Å; F80-S84 WeakPolarHBondContact O-CB 3.42Å; F80-S84 PolarHBondContact O-N 2.98Å; F80-E111 HydrophobicContact CD1-CB 4.29Å; F80-E111 HydrophobicContact CE1-CB 4.14Å; F80-I112 HydrophobicContact CE2-CG1 4.47Å; F80-I112 HydrophobicContact CZ-CG1 3.75Å; F80-H115 HydrophobicContact CD1-CB 4.47Å; F80-H115 HydrophobicContact CE1-CB 4.05Å
81R72.3Confident71Confident124 Ų12466.7 Ų66.747%0.46836%0.36SS..Hα-helixtrans-53.5-42176.8-73.4176.5176.3-174.5-5.4113.9C77 I79 S84 E114 H115C77-R81 WeakPolarHBondContact O-CG 3.44Å; C77-R81 PolarHBondContact O-N 3.36Å; I79-R81 VanDerWaalsContact C-N 3.32Å; I79-R81 PolarHBondContact O-N 2.97Å; R81-S84 PolarHBondContact O-OG 3.15Å; R81-S84 VanDerWaalsContact O-OG 3.13Å; R81-E114 IonicContact NH2-OE1 3.58Å; R81-H115 VanDerWaalsContact CG-CD2 3.46Å; R81-H115 WeakPolarHBondContact CG-CD2 3.24Å; R81-H115 WeakPolarHBondContact CG-NE2 3.06Å; R81-H115 PolarHBondContact NE-NE2 3.43Å; R81-H115 PolarHBondContact NH2-NE2 2.96Å
82S74.2Confident72.6Confident86 Ų8666.2 Ų66.260%0.60136%0.356SS*.Hα-helixtrans-70.7-38.4-178.5-60.10000111.2T78 I79 F80T78-S82 PolarHBondContact O-OG 2.92Å; I79-S82 PolarHBondContact O-N 3.03Å; I79-S82 VanDerWaalsContact O-N 3.17Å; F80-S82 VanDerWaalsContact C-N 3.29Å; F80-S82 PolarHBondContact O-N 3.31Å
83Y75.4Confident74.7Confident64 Ų6463.5 Ų63.525%0.25133%0.328SS..Hα-helixtrans-82.6-28.7-178.6-64.9-60.9000113.8K16 W68 T70 I79 F80 R85K16-Y83 VanDerWaalsContact CE-O 3.3Å; K16-Y83 WeakPolarHBondContact CE-O 3.08Å; K16-Y83 PolarHBondContact NZ-O 3.34Å; W68-Y83 AromaticContact CD2-CD1 3.92Å; W68-Y83 HydrophobicContact CD2-CD1 3.92Å; W68-Y83 HydrophobicContact CD2-CE1 4.28Å; W68-Y83 AromaticContact CE3-CD1 3.4Å; W68-Y83 HydrophobicContact CE3-CD1 3.4Å; W68-Y83 VanDerWaalsContact CE3-CD1 3.4Å; W68-Y83 AromaticContact CE3-CE1 3.32Å; W68-Y83 HydrophobicContact CE3-CE1 3.32Å; W68-Y83 HydrophobicContact CE3-CG 4.39Å; W68-Y83 HydrophobicContact CH2-CD1 4.5Å; W68-Y83 HydrophobicContact CH2-CE1 4.22Å; W68-Y83 AromaticContact CZ3-CD1 3.75Å; W68-Y83 HydrophobicContact CZ3-CD1 3.75Å; W68-Y83 AromaticContact CZ3-CE1 3.29Å; W68-Y83 HydrophobicContact CZ3-CE1 3.29Å; T70-Y83 HydrophobicContact CG2-CD2 4.24Å; T70-Y83 HydrophobicContact CG2-CG 4.34Å; I79-Y83 HydrophobicContact CG2-CD2 3.64Å; I79-Y83 HydrophobicContact CG2-CE2 3.32Å; I79-Y83 WeakPolarHBondContact O-CD2 3.42Å; I79-Y83 PolarHBondContact O-N 2.94Å; F80-Y83 PolarHBondContact O-N 2.86Å; F80-Y83 VanDerWaalsContact O-N 3.14Å; Y83-R85 PolarHBondContact O-N 2.72Å
84S78.9Confident77.1Confident8 Ų857.9 Ų57.96%0.05630%0.302CS..Hα-helixtrans-60.6-28.4178.378.50000112.8F80 R81 G86 A87 H115F80-S84 VanDerWaalsContact O-CB 3.3Å; F80-S84 WeakPolarHBondContact O-CB 3.42Å; F80-S84 PolarHBondContact O-N 2.98Å; R81-S84 PolarHBondContact O-OG 3.15Å; R81-S84 VanDerWaalsContact O-OG 3.13Å; S84-G86 PolarHBondContact O-N 2.58Å; S84-G86 VanDerWaalsContact O-N 3.13Å; S84-A87 VanDerWaalsContact O-CB 3.31Å; S84-A87 WeakPolarHBondContact O-CB 3.46Å; S84-A87 PolarHBondContact O-N 3.13Å; S84-H115 WeakPolarHBondContact OG-CB 3.33Å; S84-H115 PolarHBondContact OG-O 2.94Å
85R82.6Confident79.3Confident209 Ų20954.5 Ų54.579%0.78927%0.266SS*.THydrogen-bonded Turntrans-61.8117.8177.5-172.5170.1169.179.41110.9K16 Y83 A87K16-R85 PolarHBondContact NZ-O 2.76Å; Y83-R85 PolarHBondContact O-N 2.72Å; R85-A87 VanDerWaalsContact C-N 3.27Å; R85-A87 PolarHBondContact O-N 3.2Å
86G84.9Confident81.7Confident56 Ų5646.2 Ų46.258%0.57724%0.235SC*.THydrogen-bonded Turntrans75.211.2-179.400000114.4S84 Q88S84-G86 PolarHBondContact O-N 2.58Å; S84-G86 VanDerWaalsContact O-N 3.13Å; G86-Q88 PolarHBondContact O-N 2.76Å
87A91.6Very high84Confident9 Ų939.2 Ų39.27%0.07421%0.206CC..  trans-61.1131.8168.200000109.8L18 S84 R85 V119L18-A87 HydrophobicContact CD1-CB 3.58Å; L18-A87 HydrophobicContact CG-CB 3.74Å; S84-A87 VanDerWaalsContact O-CB 3.31Å; S84-A87 WeakPolarHBondContact O-CB 3.46Å; S84-A87 PolarHBondContact O-N 3.13Å; R85-A87 VanDerWaalsContact C-N 3.27Å; R85-A87 PolarHBondContact O-N 3.2Å; A87-V119 VanDerWaalsContact O-CG2 3.29Å; A87-V119 WeakPolarHBondContact O-CG2 3.5Å
88Q94Very high86.3Confident53 Ų5340.3 Ų40.325%0.24821%0.21CC..  trans-104.6-23.7-179.2-66.2169-82.200111.9L15 K16 G86 P120 V174L15-Q88 VanDerWaalsContact CA-OE1 3.3Å; K16-Q88 PolarHBondContact O-N 2.85Å; G86-Q88 PolarHBondContact O-N 2.76Å; Q88-P120 WeakPolarHBondContact O-CD 3.36Å; Q88-V174 HydrophobicContact CB-CG1 3.85Å; Q88-V174 WeakPolarHBondContact O-CG2 3.48Å
89G95.4Very high88.3Confident0 Ų039.9 Ų39.90%020%0.198CC..EExtended strand (participates in β ladder)trans-150.7152.9174.900000111.3K16 F17 L18 P120K16-G89 PolarHBondContact O-N 3.35Å; F17-G89 VanDerWaalsContact CA-O 3.24Å; F17-G89 WeakPolarHBondContact CA-O 3.31Å; L18-G89 PolarHBondContact N-O 2.84Å; L18-G89 VanDerWaalsContact N-O 3.08Å; G89-P120 WeakPolarHBondContact CA-O 3.23Å
90I95.1Very high89.9Confident0 Ų046.6 Ų46.60%022%0.22CC..EExtended strand (participates in β ladder)trans-131.5134.1-177-61.1167.5000110.3L18 V20 I112 A116 V119 P120 R121 I122L18-I90 HydrophobicContact CB-CG1 4.43Å; L18-I90 WeakPolarHBondContact O-CA 3.31Å; V20-I90 HydrophobicContact CB-CG2 4.27Å; V20-I90 HydrophobicContact CG2-CG2 3.71Å; I90-I112 HydrophobicContact CD1-CB 4.38Å; I90-I112 HydrophobicContact CD1-CD1 4.25Å; I90-I112 HydrophobicContact CD1-CG1 4Å; I90-I112 HydrophobicContact CD1-CG2 3.5Å; I90-I112 HydrophobicContact CG2-CD1 3.8Å; I90-A116 HydrophobicContact CD1-CB 4.23Å; I90-V119 HydrophobicContact CD1-CB 3.99Å; I90-V119 HydrophobicContact CD1-CG1 3.75Å; I90-V119 HydrophobicContact CG1-CG1 3.76Å; I90-P120 PolarHBondContact N-O 3.33Å; I90-R121 HydrophobicContact CB-CB 4.16Å; I90-R121 VanDerWaalsContact O-CA 3.24Å; I90-R121 WeakPolarHBondContact O-CA 3.14Å; I90-I122 PolarHBondContact O-N 2.72Å
91L96.4Very high91Very high1 Ų146.4 Ų46.41%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-104114.4170-62.788.9000108.3F17 L18 L19 V20 V93 I122 V124 F167 L170F17-L91 HydrophobicContact CB-CD1 4.06Å; F17-L91 HydrophobicContact CD2-CD1 4.25Å; F17-L91 HydrophobicContact CG-CD1 4.44Å; L18-L91 PolarHBondContact O-N 3.32Å; L19-L91 HydrophobicContact CD1-CD1 4.15Å; L19-L91 HydrophobicContact CG-CB 4.28Å; L19-L91 HydrophobicContact CG-CD1 4.44Å; V20-L91 PolarHBondContact N-O 3.32Å; L91-V93 HydrophobicContact CB-CG2 4.3Å; L91-I122 HydrophobicContact CD2-CD1 4.2Å; L91-I122 HydrophobicContact CG-CD1 4.16Å; L91-I122 HydrophobicContact CG-CG1 4.12Å; L91-V124 HydrophobicContact CB-CG2 4.45Å; L91-V124 HydrophobicContact CD2-CG2 4.32Å; L91-F167 HydrophobicContact CD1-CD1 4.13Å; L91-F167 HydrophobicContact CD1-CE1 3.7Å; L91-F167 HydrophobicContact CD2-CD1 3.92Å; L91-F167 HydrophobicContact CD2-CE1 3.48Å; L91-F167 VanDerWaalsContact CD2-CE1 3.48Å; L91-F167 HydrophobicContact CD2-CE2 4.25Å; L91-F167 HydrophobicContact CD2-CG 4.49Å; L91-F167 HydrophobicContact CD2-CZ 3.64Å; L91-F167 HydrophobicContact CG-CE1 4.28Å; L91-L170 HydrophobicContact CD1-CD2 3.52Å; L91-L170 HydrophobicContact CG-CD2 3.92Å
92L95.9Very high92.2Very high0 Ų040.9 Ų40.90%020%0.198CC..EExtended strand (participates in β ladder)trans-88.5109172.4-79.4166.6000108.9V20 I105 W108 I109 I112 R121 I122 L123 V124 M150V20-L92 HydrophobicContact CB-CD2 4.19Å; V20-L92 HydrophobicContact CG1-CD2 4.17Å; V20-L92 CarbonylContact O-C 3.58Å; V20-L92 WeakPolarHBondContact O-CA 3.45Å; L92-I105 HydrophobicContact CB-CD1 4.39Å; L92-I105 HydrophobicContact CD1-CG2 4.3Å; L92-I105 HydrophobicContact CD2-CD1 4.5Å; L92-W108 HydrophobicContact CD2-CB 3.63Å; L92-I109 HydrophobicContact CD1-CD1 4.48Å; L92-I109 HydrophobicContact CD1-CG1 3.82Å; L92-I112 HydrophobicContact CD1-CD1 4.12Å; L92-I112 HydrophobicContact CD2-CD1 3.63Å; L92-I112 HydrophobicContact CG-CD1 3.99Å; L92-R121 HydrophobicContact CD1-CB 4.49Å; L92-I122 PolarHBondContact N-O 3.44Å; L92-L123 HydrophobicContact CB-CD1 4.15Å; L92-V124 PolarHBondContact O-N 3.29Å; L92-M150 HydrophobicContact CD1-CE 4.36Å; L92-M150 HydrophobicContact CD1-SD 3.62Å
93V96.6Very high93.2Very high0 Ų040.5 Ų40.50%019%0.189CC..EExtended strand (participates in β ladder)trans-107.3129.3-171.5-170.80000110.7V20 G21 V25 K27 I30 L91 V124 N126V20-V93 PolarHBondContact O-N 2.92Å; G21-V93 WeakPolarHBondContact CA-O 3.43Å; V25-V93 HydrophobicContact CB-CG1 4.38Å; V25-V93 HydrophobicContact CG2-CB 4.06Å; V25-V93 HydrophobicContact CG2-CG1 3.84Å; K27-V93 HydrophobicContact CD-CB 4.47Å; K27-V93 HydrophobicContact CG-CB 3.88Å; K27-V93 HydrophobicContact CG-CG1 4.15Å; K27-V93 HydrophobicContact CG-CG2 3.91Å; I30-V93 HydrophobicContact CD1-CG1 3.75Å; I30-V93 HydrophobicContact CD1-CG2 4.2Å; L91-V93 HydrophobicContact CB-CG2 4.3Å; V93-V124 WeakPolarHBondContact CA-O 3.41Å; V93-V124 HydrophobicContact CG2-CB 4.31Å; V93-N126 HydrophobicContact CG1-CB 4.05Å
94Y97.6Very high94Very high0 Ų038.2 Ų38.20%019%0.185CC..EExtended strand (participates in β ladder)trans-129.2164.4167.575.2-82.1000110.2I96 F102 L123 V124 G125 N126 V136 A141 F152Y94-I96 HydrophobicContact CE2-CG2 3.98Å; Y94-F102 AromaticContact CD1-CD2 3.96Å; Y94-F102 HydrophobicContact CD1-CD2 3.96Å; Y94-F102 HydrophobicContact CD2-CB 3.79Å; Y94-F102 AromaticContact CD2-CD2 3.82Å; Y94-F102 HydrophobicContact CD2-CD2 3.82Å; Y94-F102 HydrophobicContact CD2-CG 4.27Å; Y94-F102 AromaticContact CE1-CD2 3.91Å; Y94-F102 HydrophobicContact CE1-CD2 3.91Å; Y94-F102 HydrophobicContact CE1-CE2 4.29Å; Y94-F102 HydrophobicContact CE2-CB 4.32Å; Y94-F102 AromaticContact CE2-CD2 3.78Å; Y94-F102 HydrophobicContact CE2-CD2 3.78Å; Y94-F102 HydrophobicContact CE2-CG 4.42Å; Y94-F102 HydrophobicContact CG-CB 4.19Å; Y94-F102 AromaticContact CG-CD2 3.92Å; Y94-F102 HydrophobicContact CG-CD2 3.92Å; Y94-F102 AromaticContact CZ-CD2 3.84Å; Y94-L123 HydrophobicContact CD1-CD1 3.86Å; Y94-L123 HydrophobicContact CD1-CG 4.27Å; Y94-L123 HydrophobicContact CE1-CD1 4.09Å; Y94-L123 HydrophobicContact CE1-CD2 4.26Å; Y94-L123 HydrophobicContact CE1-CG 3.98Å; Y94-V124 WeakPolarHBondContact CD1-O 3.41Å; Y94-V124 PolarHBondContact N-O 3.39Å; Y94-G125 VanDerWaalsContact CZ-CA 3.49Å; Y94-N126 PolarHBondContact O-N 2.85Å; Y94-V136 HydrophobicContact CD2-CG2 4.43Å; Y94-V136 HydrophobicContact CE2-CB 4Å; Y94-V136 HydrophobicContact CE2-CG1 3.91Å; Y94-V136 HydrophobicContact CE2-CG2 4.14Å; Y94-A141 HydrophobicContact CE1-CB 4.48Å; Y94-A141 WeakPolarHBondContact OH-CB 3.25Å; Y94-F152 HydrophobicContact CE1-CE2 4.14Å; Y94-F152 WeakPolarHBondContact OH-CE2 3.48Å
95D97.8Very high94.8Very high4 Ų437.8 Ų37.82%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-97.9125174.5174.6-2.5000109.8V25 T97 N98 S101 R127V25-D95 HydrophobicContact CB-CB 4.4Å; V25-D95 HydrophobicContact CG1-CB 4.48Å; D95-T97 PolarHBondContact O-N 3.17Å; D95-T97 VanDerWaalsContact O-N 3.11Å; D95-T97 WeakPolarHBondContact OD1-CB 3.2Å; D95-T97 PolarHBondContact OD1-N 3.17Å; D95-T97 PolarHBondContact OD1-OG1 2.79Å; D95-T97 PolarHBondContact OD2-OG1 2.84Å; D95-N98 HydrophobicContact CB-CB 4.11Å; D95-N98 PolarHBondContact O-N 2.79Å; D95-S101 PolarHBondContact N-OG 2.65Å; D95-S101 PolarHBondContact O-OG 3.48Å; D95-R127 WeakPolarHBondContact OD2-CD 3.23Å; D95-R127 IonicContact OD2-CZ 3.36Å; D95-R127 IonicContact OD2-NE 3.32Å; D95-R127 IonicContact OD2-NH1 3.95Å; D95-R127 PolarHBondContact OD2-NH1 2.91Å
96I98.4Very high95.3Very high0 Ų031.8 Ų31.80%017%0.166CC..THydrogen-bonded Turntrans-62.1-20.8-179.769168.3000113.6Y94 N126 L128 A131 Q135 V136Y94-I96 HydrophobicContact CE2-CG2 3.98Å; I96-N126 WeakPolarHBondContact CG1-O 3.39Å; I96-N126 WeakPolarHBondContact CG2-O 3.07Å; I96-N126 PolarHBondContact N-O 2.69Å; I96-L128 HydrophobicContact CD1-CD1 4.24Å; I96-A131 HydrophobicContact CD1-CB 4.36Å; I96-Q135 PolarHBondContact O-N 3.04Å; I96-V136 PolarHBondContact O-N 3.45Å; I96-V136 VanDerWaalsContact O-N 3.14Å
97T98.3Very high95.6Very high24 Ų2436.4 Ų36.415%0.14717%0.166CC..THydrogen-bonded Turntrans-91.2-2.8178.674.30000113.1D95 L130 K133 Q135D95-T97 PolarHBondContact O-N 3.17Å; D95-T97 VanDerWaalsContact O-N 3.11Å; D95-T97 WeakPolarHBondContact OD1-CB 3.2Å; D95-T97 PolarHBondContact OD1-N 3.17Å; D95-T97 PolarHBondContact OD1-OG1 2.79Å; D95-T97 PolarHBondContact OD2-OG1 2.84Å; T97-L130 HydrophobicContact CG2-CB 3.51Å; T97-L130 HydrophobicContact CG2-CD1 4.19Å; T97-K133 HydrophobicContact CG2-CB 4.09Å; T97-Q135 VanDerWaalsContact O-CG 3.26Å; T97-Q135 WeakPolarHBondContact O-CG 3.09Å; T97-Q135 PolarHBondContact O-NE2 3.36Å; T97-Q135 PolarHBondContact O-OE1 3.15Å
98N97.1Very high95.6Very high55 Ų5537.8 Ų37.829%0.29417%0.17SC..  trans-129.1101.2-179.6-177.3-4.9000111D95 W100 S101D95-N98 HydrophobicContact CB-CB 4.11Å; D95-N98 PolarHBondContact O-N 2.79Å; N98-W100 VanDerWaalsContact C-N 3.28Å; N98-W100 PolarHBondContact O-N 3.26Å; N98-W100 WeakPolarHBondContact OD1-CB 3.27Å; N98-W100 PolarHBondContact OD1-N 3.11Å; N98-W100 VanDerWaalsContact OD1-N 3.12Å; N98-S101 PolarHBondContact O-N 3.11Å; N98-S101 PolarHBondContact O-OG 2.89Å
99R96.9Very high95.5Very high84 Ų8435.9 Ų35.932%0.31716%0.161SC..Hα-helixtrans-59.1-36.9-179.4179.455.4179.9-100.7-4.2113.5S101 F102 D103 Q135 Q140R99-S101 VanDerWaalsContact C-N 3.26Å; R99-S101 PolarHBondContact O-N 3.47Å; R99-F102 WeakPolarHBondContact O-CB 3.37Å; R99-F102 PolarHBondContact O-N 3.09Å; R99-F102 VanDerWaalsContact O-N 3.08Å; R99-D103 IonicContact CZ-OD1 2.85Å; R99-D103 IonicContact NE-OD1 3.92Å; R99-D103 PolarHBondContact NE-OD1 3.26Å; R99-D103 IonicContact NE-OD2 2.95Å; R99-D103 PolarHBondContact NE-OD2 3Å; R99-D103 IonicContact NH2-OD1 3.55Å; R99-D103 PolarHBondContact O-N 3.3Å; R99-Q135 HydrophobicContact CB-CB 4.16Å; R99-Q140 VanDerWaalsContact NH1-OE1 3.13Å
100W95.8Very high95.3Very high198 Ų19843 Ų4375%0.7519%0.192SC*.Hα-helixtrans-61.2-37-179.7-62.295000112.2N98 F102 D103 G104N98-W100 VanDerWaalsContact C-N 3.28Å; N98-W100 PolarHBondContact O-N 3.26Å; N98-W100 WeakPolarHBondContact OD1-CB 3.27Å; N98-W100 PolarHBondContact OD1-N 3.11Å; N98-W100 VanDerWaalsContact OD1-N 3.12Å; W100-F102 VanDerWaalsContact C-N 3.27Å; W100-F102 PolarHBondContact O-N 3.35Å; W100-D103 PolarHBondContact O-N 2.94Å; W100-G104 PolarHBondContact O-N 3.37Å
101S95.3Very high94.9Very high0 Ų044.4 Ų44.40%020%0.198CC..Hα-helixtrans-65-31.8177.474.10000113D95 N98 R99D95-S101 PolarHBondContact N-OG 2.65Å; D95-S101 PolarHBondContact O-OG 3.48Å; N98-S101 PolarHBondContact O-N 3.11Å; N98-S101 PolarHBondContact O-OG 2.89Å; R99-S101 VanDerWaalsContact C-N 3.26Å; R99-S101 PolarHBondContact O-N 3.47Å
102F97.8Very high94.6Very high8 Ų844.4 Ų44.44%0.03520%0.198CC..Hα-helixtrans-74.8-44.1175.6179.8-99.7000111.4Y94 R99 W100 G104 I105 L123 V136 Q140 A141 Y144Y94-F102 AromaticContact CD1-CD2 3.96Å; Y94-F102 HydrophobicContact CD1-CD2 3.96Å; Y94-F102 HydrophobicContact CD2-CB 3.79Å; Y94-F102 AromaticContact CD2-CD2 3.82Å; Y94-F102 HydrophobicContact CD2-CD2 3.82Å; Y94-F102 HydrophobicContact CD2-CG 4.27Å; Y94-F102 AromaticContact CE1-CD2 3.91Å; Y94-F102 HydrophobicContact CE1-CD2 3.91Å; Y94-F102 HydrophobicContact CE1-CE2 4.29Å; Y94-F102 HydrophobicContact CE2-CB 4.32Å; Y94-F102 AromaticContact CE2-CD2 3.78Å; Y94-F102 HydrophobicContact CE2-CD2 3.78Å; Y94-F102 HydrophobicContact CE2-CG 4.42Å; Y94-F102 HydrophobicContact CG-CB 4.19Å; Y94-F102 AromaticContact CG-CD2 3.92Å; Y94-F102 HydrophobicContact CG-CD2 3.92Å; Y94-F102 AromaticContact CZ-CD2 3.84Å; R99-F102 WeakPolarHBondContact O-CB 3.37Å; R99-F102 PolarHBondContact O-N 3.09Å; R99-F102 VanDerWaalsContact O-N 3.08Å; W100-F102 VanDerWaalsContact C-N 3.27Å; W100-F102 PolarHBondContact O-N 3.35Å; F102-G104 PolarHBondContact O-N 3.4Å; F102-I105 VanDerWaalsContact O-CB 3.31Å; F102-I105 WeakPolarHBondContact O-CB 3.46Å; F102-I105 VanDerWaalsContact O-CG1 3.31Å; F102-I105 WeakPolarHBondContact O-CG1 3.38Å; F102-I105 PolarHBondContact O-N 3.42Å; F102-I105 VanDerWaalsContact O-N 3.08Å; F102-L123 HydrophobicContact CE2-CD2 4.24Å; F102-V136 HydrophobicContact CB-CG1 4.35Å; F102-V136 HydrophobicContact CB-CG2 3.75Å; F102-V136 HydrophobicContact CD1-CG1 4.13Å; F102-V136 HydrophobicContact CD2-CG1 3.91Å; F102-V136 HydrophobicContact CE1-CG1 4.41Å; F102-V136 HydrophobicContact CE2-CG1 4.2Å; F102-V136 HydrophobicContact CG-CG1 3.86Å; F102-V136 HydrophobicContact CG-CG2 4.16Å; F102-V136 HydrophobicContact CZ-CG1 4.44Å; F102-Q140 HydrophobicContact CE1-CG 4.42Å; F102-A141 HydrophobicContact CE2-CB 3.8Å; F102-A141 HydrophobicContact CZ-CB 4.29Å; F102-Y144 HydrophobicContact CE2-CD1 4.29Å; F102-Y144 HydrophobicContact CE2-CG 4.42Å; F102-Y144 HydrophobicContact CZ-CD1 4.09Å; F102-Y144 HydrophobicContact CZ-CD2 4.24Å; F102-Y144 AromaticContact CZ-CG 3.77Å; F102-Y144 HydrophobicContact CZ-CG 3.77Å
103D95.3Very high94.4Very high77 Ų7748 Ų4841%0.41222%0.217SC..Hα-helixtrans-64.2-27176.3-61.3-23.3000111.3R99 W100 I105R99-D103 IonicContact CZ-OD1 2.85Å; R99-D103 IonicContact NE-OD1 3.92Å; R99-D103 PolarHBondContact NE-OD1 3.26Å; R99-D103 IonicContact NE-OD2 2.95Å; R99-D103 PolarHBondContact NE-OD2 3Å; R99-D103 IonicContact NH2-OD1 3.55Å; R99-D103 PolarHBondContact O-N 3.3Å; W100-D103 PolarHBondContact O-N 2.94Å; D103-I105 VanDerWaalsContact C-N 3.27Å; D103-I105 PolarHBondContact O-N 3.18Å
104G92.7Very high94.1Very high16 Ų1653.9 Ų53.917%0.16525%0.245CC..THydrogen-bonded Turntrans-67.1-17.3173.200000115.2W100 F102 D106 R107 W108W100-G104 PolarHBondContact O-N 3.37Å; F102-G104 PolarHBondContact O-N 3.4Å; G104-D106 VanDerWaalsContact C-N 3.29Å; G104-D106 PolarHBondContact O-N 3.48Å; G104-R107 WeakPolarHBondContact O-CB 3.46Å; G104-R107 PolarHBondContact O-N 2.93Å; G104-R107 VanDerWaalsContact O-N 3.11Å; G104-W108 VanDerWaalsContact O-CD1 3.23Å; G104-W108 PolarHBondContact O-N 2.88Å
105I94.5Very high93.6Very high0 Ų055.8 Ų55.80%025%0.254CS..Hα-helixtrans-61.4-34.8-177.4-64.3-61.2000112.4L92 F102 D103 R107 W108 I109 L123 Y144L92-I105 HydrophobicContact CB-CD1 4.39Å; L92-I105 HydrophobicContact CD1-CG2 4.3Å; L92-I105 HydrophobicContact CD2-CD1 4.5Å; F102-I105 VanDerWaalsContact O-CB 3.31Å; F102-I105 WeakPolarHBondContact O-CB 3.46Å; F102-I105 VanDerWaalsContact O-CG1 3.31Å; F102-I105 WeakPolarHBondContact O-CG1 3.38Å; F102-I105 PolarHBondContact O-N 3.42Å; F102-I105 VanDerWaalsContact O-N 3.08Å; D103-I105 VanDerWaalsContact C-N 3.27Å; D103-I105 PolarHBondContact O-N 3.18Å; I105-R107 PolarHBondContact O-N 3.45Å; I105-W108 PolarHBondContact O-N 2.87Å; I105-I109 HydrophobicContact CG2-CD1 3.97Å; I105-I109 HydrophobicContact CG2-CG1 4.15Å; I105-I109 WeakPolarHBondContact O-CG1 3.45Å; I105-I109 PolarHBondContact O-N 3.45Å; I105-L123 HydrophobicContact CD1-CD1 4.36Å; I105-L123 HydrophobicContact CG1-CD1 4.23Å; I105-L123 HydrophobicContact CG2-CD1 4.15Å; I105-Y144 HydrophobicContact CG2-CE1 3.88Å
106D93.5Very high93.1Very high83 Ų8355.9 Ų55.944%0.44426%0.255SS..Hα-helixtrans-58.4-35.6177.3-78.8-20.4000112.3G104 K110 Y144G104-D106 VanDerWaalsContact C-N 3.29Å; G104-D106 PolarHBondContact O-N 3.48Å; D106-K110 WeakPolarHBondContact O-CG 3.34Å; D106-K110 PolarHBondContact O-N 3.39Å; D106-Y144 WeakPolarHBondContact OD1-CE2 3.38Å; D106-Y144 PolarHBondContact OD1-OH 2.7Å
107R91.3Very high92.7Very high153 Ų15360.5 Ų60.558%0.57729%0.285SS*.Hα-helixtrans-67-44.6175.8-178.8-174.3173.8-179.6-1.4110.6G104 I105 K110 E111G104-R107 WeakPolarHBondContact O-CB 3.46Å; G104-R107 PolarHBondContact O-N 2.93Å; G104-R107 VanDerWaalsContact O-N 3.11Å; I105-R107 PolarHBondContact O-N 3.45Å; R107-K110 WeakPolarHBondContact O-CB 3.39Å; R107-K110 PolarHBondContact O-N 2.98Å; R107-E111 PolarHBondContact O-N 3.37Å
108W91.1Very high92.3Very high38 Ų3861.4 Ų61.414%0.14430%0.299CS..Hα-helixtrans-66.3-37.7179.6-66.9112.2000112.5V20 G21 D22 L92 G104 I105 K110 E111 I112V20-W108 HydrophobicContact CG1-CB 3.9Å; V20-W108 HydrophobicContact CG1-CD2 3.52Å; V20-W108 HydrophobicContact CG1-CE3 3.22Å; V20-W108 HydrophobicContact CG1-CG 3.84Å; V20-W108 HydrophobicContact CG1-CZ3 3.89Å; G21-W108 WeakPolarHBondContact O-CZ2 3.32Å; D22-W108 PolarHBondContact OD1-NE1 3.01Å; L92-W108 HydrophobicContact CD2-CB 3.63Å; G104-W108 VanDerWaalsContact O-CD1 3.23Å; G104-W108 PolarHBondContact O-N 2.88Å; I105-W108 PolarHBondContact O-N 2.87Å; W108-K110 VanDerWaalsContact C-N 3.32Å; W108-K110 PolarHBondContact O-N 3.02Å; W108-E111 PolarHBondContact O-N 2.97Å; W108-I112 WeakPolarHBondContact O-CD1 3.36Å; W108-I112 WeakPolarHBondContact O-CG1 3.21Å; W108-I112 PolarHBondContact O-N 3.35Å
109I92.4Very high92.1Very high13 Ų1360 Ų607%0.06729%0.293CS..Hα-helixtrans-57.9-45.7173.3-71.2176000110.9L92 I105 E111 I112 D113 Y144 M150L92-I109 HydrophobicContact CD1-CD1 4.48Å; L92-I109 HydrophobicContact CD1-CG1 3.82Å; I105-I109 HydrophobicContact CG2-CD1 3.97Å; I105-I109 HydrophobicContact CG2-CG1 4.15Å; I105-I109 WeakPolarHBondContact O-CG1 3.45Å; I105-I109 PolarHBondContact O-N 3.45Å; I109-E111 PolarHBondContact O-N 3.12Å; I109-I112 PolarHBondContact O-N 2.82Å; I109-D113 VanDerWaalsContact O-CG 3.26Å; I109-D113 PolarHBondContact O-N 3.26Å; I109-Y144 HydrophobicContact CD1-CE1 4.31Å; I109-Y144 VanDerWaalsContact CD1-OH 3.31Å; I109-Y144 WeakPolarHBondContact CD1-OH 3.24Å; I109-M150 HydrophobicContact CD1-CE 3.92Å; I109-M150 HydrophobicContact CD1-SD 4.46Å
110K91.5Very high92Very high150 Ų15056.9 Ų56.965%0.65228%0.283SS*.Hα-helixtrans-59.7-45.1177.3-71.1170.9-178.21760112.3D106 R107 W108 I112 D113 E114D106-K110 WeakPolarHBondContact O-CG 3.34Å; D106-K110 PolarHBondContact O-N 3.39Å; R107-K110 WeakPolarHBondContact O-CB 3.39Å; R107-K110 PolarHBondContact O-N 2.98Å; W108-K110 VanDerWaalsContact C-N 3.32Å; W108-K110 PolarHBondContact O-N 3.02Å; K110-I112 VanDerWaalsContact C-N 3.32Å; K110-I112 PolarHBondContact O-N 3.17Å; K110-D113 PolarHBondContact O-N 2.93Å; K110-E114 PolarHBondContact O-N 3.08Å
111E87.8Confident91.9Very high29 Ų2950 Ų5014%0.13626%0.257CS..Hα-helixtrans-62.6-39.5177.5-68.5-71.2157.400111.9C77 F80 R107 W108 I109 E114 H115C77-E111 PolarHBondContact SG-OE1 2.92Å; C77-E111 PolarHBondContact SG-OE2 3.48Å; F80-E111 HydrophobicContact CD1-CB 4.29Å; F80-E111 HydrophobicContact CE1-CB 4.14Å; R107-E111 PolarHBondContact O-N 3.37Å; W108-E111 PolarHBondContact O-N 2.97Å; I109-E111 PolarHBondContact O-N 3.12Å; E111-E114 PolarHBondContact O-N 3.3Å; E111-H115 PolarHBondContact O-N 3.21Å; E111-H115 PolarHBondContact O-ND1 3.07Å; E111-H115 IonicContact OE2-CE1 2.74Å; E111-H115 PolarHBondContact OE2-CE1 2.95Å; E111-H115 VanDerWaalsContact OE2-CE1 3.32Å; E111-H115 IonicContact OE2-ND1 3.87Å
112I89.9Confident92Very high1 Ų150 Ų501%0.00526%0.257CS..Hα-helixtrans-65.6-45.4176-67162.2000110.7F80 I90 L92 W108 I109 K110 E114 H115 A116F80-I112 HydrophobicContact CE2-CG1 4.47Å; F80-I112 HydrophobicContact CZ-CG1 3.75Å; I90-I112 HydrophobicContact CD1-CB 4.38Å; I90-I112 HydrophobicContact CD1-CD1 4.25Å; I90-I112 HydrophobicContact CD1-CG1 4Å; I90-I112 HydrophobicContact CD1-CG2 3.5Å; I90-I112 HydrophobicContact CG2-CD1 3.8Å; L92-I112 HydrophobicContact CD1-CD1 4.12Å; L92-I112 HydrophobicContact CD2-CD1 3.63Å; L92-I112 HydrophobicContact CG-CD1 3.99Å; W108-I112 WeakPolarHBondContact O-CD1 3.36Å; W108-I112 WeakPolarHBondContact O-CG1 3.21Å; W108-I112 PolarHBondContact O-N 3.35Å; I109-I112 PolarHBondContact O-N 2.82Å; K110-I112 VanDerWaalsContact C-N 3.32Å; K110-I112 PolarHBondContact O-N 3.17Å; I112-E114 PolarHBondContact O-N 3.37Å; I112-H115 PolarHBondContact O-N 3.2Å; I112-A116 HydrophobicContact CG2-CB 4.43Å; I112-A116 CarbonylContact O-C 3.54Å; I112-A116 VanDerWaalsContact O-CA 3.32Å; I112-A116 WeakPolarHBondContact O-CA 3.49Å; I112-A116 PolarHBondContact O-N 3.39Å
113D91.3Very high92.1Very high75 Ų7549.6 Ų49.640%0.40126%0.255SS..Hα-helixtrans-63.6-31.7-179.1-70.3-17.3000111.8I109 K110 R121I109-D113 VanDerWaalsContact O-CG 3.26Å; I109-D113 PolarHBondContact O-N 3.26Å; K110-D113 PolarHBondContact O-N 2.93Å; D113-R121 IonicContact OD1-CZ 3.22Å; D113-R121 IonicContact OD1-NH1 2.75Å; D113-R121 PolarHBondContact OD1-NH1 3.33Å; D113-R121 IonicContact OD1-NH2 2.76Å; D113-R121 PolarHBondContact OD1-NH2 3.4Å; D113-R121 IonicContact OD2-NH2 3.55Å
114E89.9Confident92.2Very high124 Ų12446 Ų4658%0.57924%0.236SC*.Hα-helixtrans-74.8-44.9175.5-172.5179.117800112.7R81 K110 E111 I112R81-E114 IonicContact NH2-OE1 3.58Å; K110-E114 PolarHBondContact O-N 3.08Å; E111-E114 PolarHBondContact O-N 3.3Å; I112-E114 PolarHBondContact O-N 3.37Å
115H86.6Confident92.5Very high40 Ų4045.2 Ų45.219%0.18523%0.228CC..Hα-helixtrans-108.7-12.6-166.8-54.699.7000115.5F80 R81 S84 E111 I112F80-H115 HydrophobicContact CD1-CB 4.47Å; F80-H115 HydrophobicContact CE1-CB 4.05Å; R81-H115 VanDerWaalsContact CG-CD2 3.46Å; R81-H115 WeakPolarHBondContact CG-CD2 3.24Å; R81-H115 WeakPolarHBondContact CG-NE2 3.06Å; R81-H115 PolarHBondContact NE-NE2 3.43Å; R81-H115 PolarHBondContact NH2-NE2 2.96Å; S84-H115 WeakPolarHBondContact OG-CB 3.33Å; S84-H115 PolarHBondContact OG-O 2.94Å; E111-H115 PolarHBondContact O-N 3.21Å; E111-H115 PolarHBondContact O-ND1 3.07Å; E111-H115 IonicContact OE2-CE1 2.74Å; E111-H115 PolarHBondContact OE2-CE1 2.95Å; E111-H115 VanDerWaalsContact OE2-CE1 3.32Å; E111-H115 IonicContact OE2-ND1 3.87Å; I112-H115 PolarHBondContact O-N 3.2Å
116A88.5Confident92.7Very high6 Ų645.2 Ų45.25%0.0523%0.228CC..SBendtrans-145.355.2178.800000110.8I90 I112 G118 V119I90-A116 HydrophobicContact CD1-CB 4.23Å; I112-A116 HydrophobicContact CG2-CB 4.43Å; I112-A116 CarbonylContact O-C 3.54Å; I112-A116 VanDerWaalsContact O-CA 3.32Å; I112-A116 WeakPolarHBondContact O-CA 3.49Å; I112-A116 PolarHBondContact O-N 3.39Å; A116-G118 PolarHBondContact O-N 2.97Å; A116-V119 HydrophobicContact CB-CB 4.32Å; A116-V119 HydrophobicContact CB-CG2 3.85Å; A116-V119 WeakPolarHBondContact O-CG2 3.49Å; A116-V119 PolarHBondContact O-N 2.96Å
117P89.9Confident92.8Very high97 Ų9742.7 Ų42.763%0.6321%0.213SC*.THydrogen-bonded Turntrans-60.6132.4-174.325.1-34.6000111.3V119P117-V119 VanDerWaalsContact C-N 3.27Å; P117-V119 PolarHBondContact O-N 3.16Å
118G89.2Confident93.2Very high43 Ų4337.2 Ų37.244%0.44320%0.195SC..THydrogen-bonded Turntrans765.4177.500000114.8A116 R177A116-G118 PolarHBondContact O-N 2.97Å; G118-R177 PolarHBondContact O-NH1 3.42Å; G118-R177 PolarHBondContact O-NH2 2.79Å
119V92.9Very high93.5Very high25 Ų2538.3 Ų38.315%0.15220%0.201CC..  trans-69.3128.3172176.40000109.9A87 I90 A116 P117 R121A87-V119 VanDerWaalsContact O-CG2 3.29Å; A87-V119 WeakPolarHBondContact O-CG2 3.5Å; I90-V119 HydrophobicContact CD1-CB 3.99Å; I90-V119 HydrophobicContact CD1-CG1 3.75Å; I90-V119 HydrophobicContact CG1-CG1 3.76Å; A116-V119 HydrophobicContact CB-CB 4.32Å; A116-V119 HydrophobicContact CB-CG2 3.85Å; A116-V119 WeakPolarHBondContact O-CG2 3.49Å; A116-V119 PolarHBondContact O-N 2.96Å; P117-V119 VanDerWaalsContact C-N 3.27Å; P117-V119 PolarHBondContact O-N 3.16Å; V119-R121 PolarHBondContact O-N 3.01Å
120P94.3Very high93.7Very high19 Ų1939.9 Ų39.912%0.12321%0.209CC..  trans-55137.7174.4-26.334.4000112.6Q88 G89 I90 L170 I173 V174Q88-P120 WeakPolarHBondContact O-CD 3.36Å; G89-P120 WeakPolarHBondContact CA-O 3.23Å; I90-P120 PolarHBondContact N-O 3.33Å; P120-L170 HydrophobicContact CB-CD1 4.23Å; P120-I173 HydrophobicContact CB-CG2 3.71Å; P120-I173 HydrophobicContact CG-CG2 4.12Å; P120-V174 HydrophobicContact CB-CG2 4.12Å; P120-V174 HydrophobicContact CG-CG2 4.05Å
121R94.4Very high94Very high52 Ų5234.8 Ų34.820%0.19620%0.195CC..EExtended strand (participates in β ladder)trans-136.2145.6-178.353.7-179.1163.3-142.3-5.8111.9I90 L92 D113 V119 M150I90-R121 HydrophobicContact CB-CB 4.16Å; I90-R121 VanDerWaalsContact O-CA 3.24Å; I90-R121 WeakPolarHBondContact O-CA 3.14Å; L92-R121 HydrophobicContact CD1-CB 4.49Å; D113-R121 IonicContact OD1-CZ 3.22Å; D113-R121 IonicContact OD1-NH1 2.75Å; D113-R121 PolarHBondContact OD1-NH1 3.33Å; D113-R121 IonicContact OD1-NH2 2.76Å; D113-R121 PolarHBondContact OD1-NH2 3.4Å; D113-R121 IonicContact OD2-NH2 3.55Å; V119-R121 PolarHBondContact O-N 3.01Å; R121-M150 HydrophobicContact CG-CG 3.98Å; R121-M150 HydrophobicContact CG-SD 3.83Å
122I97.9Very high94.4Very high0 Ų040.8 Ų40.80%022%0.221CC..EExtended strand (participates in β ladder)trans-122.2149.1172.361.9167000110I90 L91 L92 V124 T151 F153 S166 L170 I173I90-I122 PolarHBondContact O-N 2.72Å; L91-I122 HydrophobicContact CD2-CD1 4.2Å; L91-I122 HydrophobicContact CG-CD1 4.16Å; L91-I122 HydrophobicContact CG-CG1 4.12Å; L92-I122 PolarHBondContact N-O 3.44Å; I122-V124 HydrophobicContact CD1-CG2 3.97Å; I122-V124 HydrophobicContact CG1-CG2 4.12Å; I122-T151 CarbonylContact C-O 3.5Å; I122-T151 WeakPolarHBondContact CA-O 3.3Å; I122-T151 WeakPolarHBondContact CB-O 3.5Å; I122-F153 HydrophobicContact CD1-CD2 4.27Å; I122-S166 WeakPolarHBondContact CD1-O 3.48Å; I122-L170 HydrophobicContact CD1-CB 4.08Å; I122-L170 HydrophobicContact CG1-CB 4.44Å; I122-L170 HydrophobicContact CG1-CD2 4.41Å; I122-L170 HydrophobicContact CG2-CB 4.41Å; I122-L170 HydrophobicContact CG2-CD1 4.23Å; I122-I173 HydrophobicContact CG2-CD1 4.33Å
123L98.6Very high94.8Very high0 Ų046.9 Ų46.90%025%0.248CC..EExtended strand (participates in β ladder)trans-96130.9174.2-176.567.6000109.8L92 Y94 F102 I105 Y144 A145 M150 T151 F152 F153L92-L123 HydrophobicContact CB-CD1 4.15Å; Y94-L123 HydrophobicContact CD1-CD1 3.86Å; Y94-L123 HydrophobicContact CD1-CG 4.27Å; Y94-L123 HydrophobicContact CE1-CD1 4.09Å; Y94-L123 HydrophobicContact CE1-CD2 4.26Å; Y94-L123 HydrophobicContact CE1-CG 3.98Å; F102-L123 HydrophobicContact CE2-CD2 4.24Å; I105-L123 HydrophobicContact CD1-CD1 4.36Å; I105-L123 HydrophobicContact CG1-CD1 4.23Å; I105-L123 HydrophobicContact CG2-CD1 4.15Å; L123-Y144 HydrophobicContact CD2-CD1 3.94Å; L123-A145 HydrophobicContact CB-CB 4.24Å; L123-A145 HydrophobicContact CD2-CB 3.94Å; L123-M150 HydrophobicContact CB-CE 4.23Å; L123-T151 PolarHBondContact N-O 3.02Å; L123-F152 HydrophobicContact CB-CD2 4.2Å; L123-F152 HydrophobicContact CD2-CD2 3.92Å; L123-F152 HydrophobicContact CD2-CE2 4.35Å; L123-F152 HydrophobicContact CG-CD2 4.03Å; L123-F152 HydrophobicContact CG-CE2 4.49Å; L123-F152 WeakPolarHBondContact O-CA 2.93Å; L123-F153 PolarHBondContact O-N 2.83Å
124V98.5Very high95.1Very high1 Ų146.6 Ų46.61%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-127.5113.6-174.6-179.70000110.1I30 L91 L92 V93 Y94 I122 F153 V155I30-V124 HydrophobicContact CD1-CG1 4.36Å; L91-V124 HydrophobicContact CB-CG2 4.45Å; L91-V124 HydrophobicContact CD2-CG2 4.32Å; L92-V124 PolarHBondContact O-N 3.29Å; V93-V124 WeakPolarHBondContact CA-O 3.41Å; V93-V124 HydrophobicContact CG2-CB 4.31Å; Y94-V124 WeakPolarHBondContact CD1-O 3.41Å; Y94-V124 PolarHBondContact N-O 3.39Å; I122-V124 HydrophobicContact CD1-CG2 3.97Å; I122-V124 HydrophobicContact CG1-CG2 4.12Å; V124-F153 CarbonylContact C-O 3.57Å; V124-F153 VanDerWaalsContact CA-O 3.3Å; V124-F153 WeakPolarHBondContact CA-O 3.42Å; V124-V155 HydrophobicContact CG1-CB 4.28Å; V124-V155 HydrophobicContact CG1-CG1 3.8Å; V124-V155 HydrophobicContact CG1-CG2 3.43Å; V124-V155 VanDerWaalsContact CG1-CG2 3.43Å
125G98.4Very high95.5Very high0 Ų045.7 Ų45.70%024%0.237CC..EExtended strand (participates in β ladder)trans-88.8107.2169.100000110.8Y94 F153 E154 V155Y94-G125 VanDerWaalsContact CZ-CA 3.49Å; G125-F153 PolarHBondContact N-O 3.42Å; G125-E154 CarbonylContact O-C 3.57Å; G125-E154 VanDerWaalsContact O-CA 3.23Å; G125-E154 WeakPolarHBondContact O-CA 3.44Å; G125-V155 PolarHBondContact O-N 3.43Å
126N98.2Very high96.1Very high0 Ų043.8 Ų43.80%023%0.228CC..EExtended strand (participates in β ladder)trans-85.2169.5-179.5-169.528.6000112.4V25 G26 E29 I30 V93 Y94 I96 V155 P157V25-N126 WeakPolarHBondContact O-CB 3.4Å; V25-N126 PolarHBondContact O-ND2 3.18Å; G26-N126 WeakPolarHBondContact CA-ND2 3.32Å; G26-N126 PolarHBondContact O-ND2 2.95Å; E29-N126 PolarHBondContact OE2-ND2 3.13Å; I30-N126 HydrophobicContact CD1-CB 4.23Å; V93-N126 HydrophobicContact CG1-CB 4.05Å; Y94-N126 PolarHBondContact O-N 2.85Å; I96-N126 WeakPolarHBondContact CG1-O 3.39Å; I96-N126 WeakPolarHBondContact CG2-O 3.07Å; I96-N126 PolarHBondContact N-O 2.69Å; N126-V155 HydrophobicContact CB-CG2 4.14Å; N126-P157 WeakPolarHBondContact OD1-CD 3.31Å; N126-P157 WeakPolarHBondContact OD1-CG 3.32Å
127R97.4Very high96.6Very high31 Ų3146.3 Ų46.312%0.11724%0.244CC..  trans65.138.5177.7-55.2-174.1176.6155.2-5.8113.3D24 E29 D95 H129 L130 V155D24-R127 PolarHBondContact O-NH1 2.8Å; D24-R127 VanDerWaalsContact O-NH1 3.07Å; D24-R127 PolarHBondContact O-NH2 2.76Å; D24-R127 VanDerWaalsContact O-NH2 3.16Å; D24-R127 IonicContact OD1-CZ 3.7Å; D24-R127 IonicContact OD1-NH1 2.91Å; D24-R127 IonicContact OD1-NH2 3.49Å; D24-R127 PolarHBondContact OD1-NH2 2.78Å; E29-R127 IonicContact OE1-CZ 3.69Å; E29-R127 IonicContact OE1-NE 3.64Å; E29-R127 PolarHBondContact OE1-NE 2.88Å; E29-R127 IonicContact OE1-NH2 3.76Å; E29-R127 PolarHBondContact OE1-NH2 3.13Å; E29-R127 IonicContact OE2-NE 3.9Å; D95-R127 WeakPolarHBondContact OD2-CD 3.23Å; D95-R127 IonicContact OD2-CZ 3.36Å; D95-R127 IonicContact OD2-NE 3.32Å; D95-R127 IonicContact OD2-NH1 3.95Å; D95-R127 PolarHBondContact OD2-NH1 2.91Å; R127-H129 PolarHBondContact O-N 2.98Å; R127-H129 VanDerWaalsContact O-N 3.1Å; R127-L130 HydrophobicContact CB-CD1 4.29Å; R127-L130 WeakPolarHBondContact O-CA 3.33Å; R127-L130 WeakPolarHBondContact O-CB 3.5Å; R127-L130 PolarHBondContact O-N 3.34Å; R127-V155 PolarHBondContact N-O 2.85Å
128L98Very high96.9Very high38 Ų3842.9 Ų42.920%0.19922%0.221CC..G310 helixtrans-56-28.6177-178.564.4000113.8I96 L130 A131 E154 V155 F161I96-L128 HydrophobicContact CD1-CD1 4.24Å; L128-L130 PolarHBondContact O-N 2.97Å; L128-L130 VanDerWaalsContact O-N 3.11Å; L128-A131 HydrophobicContact CD1-CB 4.36Å; L128-A131 VanDerWaalsContact O-CB 3.29Å; L128-A131 WeakPolarHBondContact O-CB 3.44Å; L128-A131 PolarHBondContact O-N 2.95Å; L128-E154 HydrophobicContact CD1-CB 4.13Å; L128-E154 VanDerWaalsContact CD1-OE2 3.25Å; L128-E154 WeakPolarHBondContact CD1-OE2 3.45Å; L128-E154 HydrophobicContact CD2-CB 4.16Å; L128-V155 VanDerWaalsContact CB-O 3.28Å; L128-V155 WeakPolarHBondContact CB-O 3.38Å; L128-V155 PolarHBondContact N-O 2.88Å; L128-F161 HydrophobicContact CD2-CD1 3.51Å; L128-F161 HydrophobicContact CD2-CE1 3.52Å
129H97Very high97.4Very high61 Ų6146.8 Ų46.828%0.28223%0.228SC..G310 helixtrans-60.9-16.9172.458.6-86.7000113.9R127 S156 L158R127-H129 PolarHBondContact O-N 2.98Å; R127-H129 VanDerWaalsContact O-N 3.1Å; H129-S156 WeakPolarHBondContact CB-OG 3.28Å; H129-S156 PolarHBondContact ND1-OG 3.5Å; H129-L158 HydrophobicContact CB-CD2 4.17Å; H129-L158 VanDerWaalsContact CD2-CD2 3.46Å; H129-L158 WeakPolarHBondContact CD2-CD2 3.33Å
130L97.6Very high97.6Very high45 Ų4548.7 Ų48.724%0.23624%0.235CC..G310 helixtrans-99.923.3173.5-57.9-179.6000113T97 R127 L128 F132 K133T97-L130 HydrophobicContact CG2-CB 3.51Å; T97-L130 HydrophobicContact CG2-CD1 4.19Å; R127-L130 HydrophobicContact CB-CD1 4.29Å; R127-L130 WeakPolarHBondContact O-CA 3.33Å; R127-L130 WeakPolarHBondContact O-CB 3.5Å; R127-L130 PolarHBondContact O-N 3.34Å; L128-L130 PolarHBondContact O-N 2.97Å; L128-L130 VanDerWaalsContact O-N 3.11Å; L130-F132 HydrophobicContact CB-CE1 4.41Å; L130-F132 HydrophobicContact CD2-CE1 3.72Å; L130-F132 HydrophobicContact CD2-CZ 3.93Å; L130-F132 PolarHBondContact O-N 3.39Å; L130-K133 PolarHBondContact O-N 3.01Å
131A97.1Very high97.8Very high43 Ų4347.8 Ų47.836%0.35523%0.229SC..G310 helixtrans-53.4-24.9179.800000114.2I96 L128 K133 R134I96-A131 HydrophobicContact CD1-CB 4.36Å; L128-A131 HydrophobicContact CD1-CB 4.36Å; L128-A131 VanDerWaalsContact O-CB 3.29Å; L128-A131 WeakPolarHBondContact O-CB 3.44Å; L128-A131 PolarHBondContact O-N 2.95Å; A131-K133 PolarHBondContact O-N 3.34Å; A131-R134 WeakPolarHBondContact O-CB 3.3Å; A131-R134 PolarHBondContact O-N 3.14Å; A131-R134 VanDerWaalsContact O-N 3.16Å
132F97.3Very high98Very high155 Ų15550.4 Ų50.468%0.6824%0.239SC*.G310 helixtrans-67.6-17.7174.268.1-85.3000114.1L130L130-F132 HydrophobicContact CB-CE1 4.41Å; L130-F132 HydrophobicContact CD2-CE1 3.72Å; L130-F132 HydrophobicContact CD2-CZ 3.93Å; L130-F132 PolarHBondContact O-N 3.39Å
133K97.7Very high98Very high130 Ų13053 Ų5357%0.56526%0.26SS*.G310 helixtrans-105.916.9172.6-59.2-171.7177.9179.10112.7T97 L130 A131 Q135T97-K133 HydrophobicContact CG2-CB 4.09Å; L130-K133 PolarHBondContact O-N 3.01Å; A131-K133 PolarHBondContact O-N 3.34Å; K133-Q135 PolarHBondContact O-N 3.18Å
134R98.4Very high98Very high68 Ų6854.7 Ų54.726%0.25727%0.267SS..  trans-57129.6-174.5176.9-178.2-70.2-93.49111.5A131 V136 T138 E154A131-R134 WeakPolarHBondContact O-CB 3.3Å; A131-R134 PolarHBondContact O-N 3.14Å; A131-R134 VanDerWaalsContact O-N 3.16Å; R134-V136 VanDerWaalsContact CD-O 3.23Å; R134-V136 WeakPolarHBondContact CD-O 3.38Å; R134-V136 WeakPolarHBondContact CG-O 3.49Å; R134-V136 PolarHBondContact NH1-O 3.44Å; R134-T138 PolarHBondContact NH1-OG1 3.33Å; R134-T138 PolarHBondContact NH2-OG1 2.9Å; R134-E154 IonicContact CZ-OE1 3.36Å; R134-E154 IonicContact CZ-OE2 3.7Å; R134-E154 IonicContact NH1-OE1 2.69Å; R134-E154 PolarHBondContact NH1-OE1 3.47Å; R134-E154 IonicContact NH1-OE2 3.79Å; R134-E154 VanDerWaalsContact NH2-CD 3.3Å; R134-E154 IonicContact NH2-OE1 3.17Å; R134-E154 PolarHBondContact NH2-OE1 2.96Å; R134-E154 VanDerWaalsContact NH2-OE1 3.17Å; R134-E154 IonicContact NH2-OE2 2.75Å; R134-E154 PolarHBondContact NH2-OE2 2.86Å
135Q98.4Very high97.9Very high106 Ų10654.7 Ų54.750%0.49527%0.267SS..  trans-108.6-18.5171.7-62.6-173.813.700112.3I96 T97 R99 K133I96-Q135 PolarHBondContact O-N 3.04Å; T97-Q135 VanDerWaalsContact O-CG 3.26Å; T97-Q135 WeakPolarHBondContact O-CG 3.09Å; T97-Q135 PolarHBondContact O-NE2 3.36Å; T97-Q135 PolarHBondContact O-OE1 3.15Å; R99-Q135 HydrophobicContact CB-CB 4.16Å; K133-Q135 PolarHBondContact O-N 3.18Å
136V98.3Very high97.8Very high0 Ų061 Ų610%030%0.296CS..SBendtrans-112.2107.6177.8-173.50000109.5Y94 I96 F102 R134 A141Y94-V136 HydrophobicContact CD2-CG2 4.43Å; Y94-V136 HydrophobicContact CE2-CB 4Å; Y94-V136 HydrophobicContact CE2-CG1 3.91Å; Y94-V136 HydrophobicContact CE2-CG2 4.14Å; I96-V136 PolarHBondContact O-N 3.45Å; I96-V136 VanDerWaalsContact O-N 3.14Å; F102-V136 HydrophobicContact CB-CG1 4.35Å; F102-V136 HydrophobicContact CB-CG2 3.75Å; F102-V136 HydrophobicContact CD1-CG1 4.13Å; F102-V136 HydrophobicContact CD2-CG1 3.91Å; F102-V136 HydrophobicContact CE1-CG1 4.41Å; F102-V136 HydrophobicContact CE2-CG1 4.2Å; F102-V136 HydrophobicContact CG-CG1 3.86Å; F102-V136 HydrophobicContact CG-CG2 4.16Å; F102-V136 HydrophobicContact CZ-CG1 4.44Å; R134-V136 VanDerWaalsContact CD-O 3.23Å; R134-V136 WeakPolarHBondContact CD-O 3.38Å; R134-V136 WeakPolarHBondContact CG-O 3.49Å; R134-V136 PolarHBondContact NH1-O 3.44Å; V136-A141 HydrophobicContact CG1-CB 4.2Å
137P98.3Very high97.8Very high59 Ų5969.3 Ų69.338%0.38333%0.333SS..  trans-57.1139.3174.1-24.834.5000112.2E139 Q140 A141P137-E139 VanDerWaalsContact C-N 3.26Å; P137-E139 PolarHBondContact O-N 2.85Å; P137-Q140 HydrophobicContact CB-CB 4.14Å; P137-Q140 HydrophobicContact CG-CB 4.5Å; P137-Q140 WeakPolarHBondContact O-CB 3.43Å; P137-Q140 PolarHBondContact O-N 2.66Å; P137-Q140 VanDerWaalsContact O-N 3.13Å; P137-A141 PolarHBondContact O-N 3.42Å; P137-A141 VanDerWaalsContact O-N 3.15Å
138T98.1Very high97.6Very high25 Ų2570.1 Ų70.115%0.15334%0.339CS..Hα-helixtrans-58.9-39.8179.7-58.80000111.4R134 Q140 A141 R142 F152 E154R134-T138 PolarHBondContact NH1-OG1 3.33Å; R134-T138 PolarHBondContact NH2-OG1 2.9Å; T138-Q140 VanDerWaalsContact C-N 3.32Å; T138-Q140 PolarHBondContact O-N 2.98Å; T138-A141 PolarHBondContact O-N 2.88Å; T138-R142 VanDerWaalsContact O-CB 3.32Å; T138-R142 WeakPolarHBondContact O-CB 3.42Å; T138-R142 PolarHBondContact O-N 3.13Å; T138-F152 HydrophobicContact CG2-CE1 3.94Å; T138-E154 PolarHBondContact OG1-OE1 3.12Å; T138-E154 PolarHBondContact OG1-OE2 2.92Å
139E97.9Very high97.4Very high124 Ų12474.2 Ų74.258%0.57937%0.369SS*.Hα-helixtrans-63.3-39178.5-67.964.7-140.600111.5P137 A143P137-E139 VanDerWaalsContact C-N 3.26Å; P137-E139 PolarHBondContact O-N 2.85Å; E139-A143 VanDerWaalsContact O-CB 3.3Å; E139-A143 WeakPolarHBondContact O-CB 3.49Å; E139-A143 PolarHBondContact O-N 3.4Å
140Q98.2Very high97.4Very high65 Ų6571.9 Ų71.930%0.30436%0.359SS..Hα-helixtrans-64.8-48.2177.4-175.7-175.31.300110.8R99 F102 P137 T138 A143 Y144R99-Q140 VanDerWaalsContact NH1-OE1 3.13Å; F102-Q140 HydrophobicContact CE1-CG 4.42Å; P137-Q140 HydrophobicContact CB-CB 4.14Å; P137-Q140 HydrophobicContact CG-CB 4.5Å; P137-Q140 WeakPolarHBondContact O-CB 3.43Å; P137-Q140 PolarHBondContact O-N 2.66Å; P137-Q140 VanDerWaalsContact O-N 3.13Å; T138-Q140 VanDerWaalsContact C-N 3.32Å; T138-Q140 PolarHBondContact O-N 2.98Å; Q140-A143 PolarHBondContact O-N 3.22Å; Q140-Y144 WeakPolarHBondContact O-CB 3.23Å; Q140-Y144 PolarHBondContact O-N 2.96Å
141A98.1Very high97.3Very high0 Ų072.1 Ų72.10%036%0.362CS..Hα-helixtrans-66.1-39.2179.900000112.3Y94 F102 V136 P137 T138 Y144 A145 F152Y94-A141 HydrophobicContact CE1-CB 4.48Å; Y94-A141 WeakPolarHBondContact OH-CB 3.25Å; F102-A141 HydrophobicContact CE2-CB 3.8Å; F102-A141 HydrophobicContact CZ-CB 4.29Å; V136-A141 HydrophobicContact CG1-CB 4.2Å; P137-A141 PolarHBondContact O-N 3.42Å; P137-A141 VanDerWaalsContact O-N 3.15Å; T138-A141 PolarHBondContact O-N 2.88Å; A141-Y144 PolarHBondContact O-N 3.17Å; A141-A145 WeakPolarHBondContact O-CB 3.45Å; A141-A145 PolarHBondContact O-N 2.77Å; A141-F152 HydrophobicContact CB-CD2 4.39Å; A141-F152 HydrophobicContact CB-CE1 4.35Å; A141-F152 HydrophobicContact CB-CE2 3.62Å; A141-F152 HydrophobicContact CB-CZ 3.58Å
142R98.2Very high97.4Very high108 Ų10871.8 Ų71.841%0.40835%0.353SS..Hα-helixtrans-62.5-50.6174.9-173.7-177.5-63.41302.5111.8T138 Y144 A145 E146 F152T138-R142 VanDerWaalsContact O-CB 3.32Å; T138-R142 WeakPolarHBondContact O-CB 3.42Å; T138-R142 PolarHBondContact O-N 3.13Å; R142-Y144 VanDerWaalsContact C-N 3.26Å; R142-Y144 PolarHBondContact O-N 2.9Å; R142-A145 WeakPolarHBondContact O-CB 3.4Å; R142-A145 PolarHBondContact O-N 2.83Å; R142-A145 VanDerWaalsContact O-N 3.12Å; R142-E146 WeakPolarHBondContact O-CG 3.29Å; R142-E146 PolarHBondContact O-N 2.86Å; R142-F152 HydrophobicContact CB-CD1 3.92Å; R142-F152 HydrophobicContact CB-CE1 4.26Å; R142-F152 HydrophobicContact CG-CD1 4.35Å
143A98.3Very high97.4Very high54 Ų5466.1 Ų66.145%0.44633%0.328SS..Hα-helixtrans-61.4-36.617800000112E139 Q140 K147E139-A143 VanDerWaalsContact O-CB 3.3Å; E139-A143 WeakPolarHBondContact O-CB 3.49Å; E139-A143 PolarHBondContact O-N 3.4Å; Q140-A143 PolarHBondContact O-N 3.22Å; A143-K147 WeakPolarHBondContact O-CB 3.47Å; A143-K147 PolarHBondContact O-N 2.75Å
144Y98.1Very high97.5Very high36 Ų3661 Ų6114%0.14131%0.306CS..Hα-helixtrans-65.1-42.5174.1178.3-86.5000112.2F102 I105 D106 I109 L123 Q140 A141 R142 K147 N148 M150F102-Y144 HydrophobicContact CE2-CD1 4.29Å; F102-Y144 HydrophobicContact CE2-CG 4.42Å; F102-Y144 HydrophobicContact CZ-CD1 4.09Å; F102-Y144 HydrophobicContact CZ-CD2 4.24Å; F102-Y144 AromaticContact CZ-CG 3.77Å; F102-Y144 HydrophobicContact CZ-CG 3.77Å; I105-Y144 HydrophobicContact CG2-CE1 3.88Å; D106-Y144 WeakPolarHBondContact OD1-CE2 3.38Å; D106-Y144 PolarHBondContact OD1-OH 2.7Å; I109-Y144 HydrophobicContact CD1-CE1 4.31Å; I109-Y144 VanDerWaalsContact CD1-OH 3.31Å; I109-Y144 WeakPolarHBondContact CD1-OH 3.24Å; L123-Y144 HydrophobicContact CD2-CD1 3.94Å; Q140-Y144 WeakPolarHBondContact O-CB 3.23Å; Q140-Y144 PolarHBondContact O-N 2.96Å; A141-Y144 PolarHBondContact O-N 3.17Å; R142-Y144 VanDerWaalsContact C-N 3.26Å; R142-Y144 PolarHBondContact O-N 2.9Å; Y144-K147 PolarHBondContact O-N 2.95Å; Y144-N148 WeakPolarHBondContact CE1-ND2 3.23Å; Y144-N148 PolarHBondContact O-N 2.97Å; Y144-N148 PolarHBondContact O-ND2 2.69Å; Y144-M150 HydrophobicContact CD1-CE 4.27Å; Y144-M150 HydrophobicContact CE1-CE 3.84Å
145A97.6Very high97.4Very high1 Ų157.8 Ų57.81%0.00829%0.294CS..Hα-helixtrans-63.3-44.9176.700000111.6L123 A141 R142 K147 N148 C149 M150 F152L123-A145 HydrophobicContact CB-CB 4.24Å; L123-A145 HydrophobicContact CD2-CB 3.94Å; A141-A145 WeakPolarHBondContact O-CB 3.45Å; A141-A145 PolarHBondContact O-N 2.77Å; R142-A145 WeakPolarHBondContact O-CB 3.4Å; R142-A145 PolarHBondContact O-N 2.83Å; R142-A145 VanDerWaalsContact O-N 3.12Å; A145-K147 PolarHBondContact O-N 3.19Å; A145-N148 CarbonylContact O-C 3.57Å; A145-N148 PolarHBondContact O-N 3.33Å; A145-N148 VanDerWaalsContact O-N 3.14Å; A145-C149 PolarHBondContact O-N 3Å; A145-M150 CarbonylContact C-O 3.38Å; A145-M150 HydrophobicContact CB-CB 4.28Å; A145-M150 WeakPolarHBondContact CB-O 3.28Å; A145-M150 PolarHBondContact O-N 3.11Å; A145-F152 HydrophobicContact CB-CB 3.71Å; A145-F152 HydrophobicContact CB-CG 4.44Å
146E96.5Very high97.4Very high131 Ų13152.8 Ų52.861%0.61227%0.271SS*.Hα-helixtrans-59.1-46.4176-72.7172.5-171.200111.8R142 N148 C149R142-E146 WeakPolarHBondContact O-CG 3.29Å; R142-E146 PolarHBondContact O-N 2.86Å; E146-N148 PolarHBondContact O-N 3.02Å; E146-C149 PolarHBondContact O-N 3.5Å; E146-C149 VanDerWaalsContact O-N 3.07Å
147K96.9Very high97.1Very high176 Ų17653.3 Ų53.377%0.76528%0.275SS*.Hα-helixtrans-58.1-32.5176.9-177.9-178.9175.2-173.70112.8A143 Y144 A145A143-K147 WeakPolarHBondContact O-CB 3.47Å; A143-K147 PolarHBondContact O-N 2.75Å; Y144-K147 PolarHBondContact O-N 2.95Å; A145-K147 PolarHBondContact O-N 3.19Å
148N94.8Very high96.9Very high48 Ų4856.5 Ų56.526%0.25729%0.288SS..THydrogen-bonded Turntrans-99.411-179.3-70.8-73.9000113.3Y144 A145 E146 M150Y144-N148 WeakPolarHBondContact CE1-ND2 3.23Å; Y144-N148 PolarHBondContact O-N 2.97Å; Y144-N148 PolarHBondContact O-ND2 2.69Å; A145-N148 CarbonylContact O-C 3.57Å; A145-N148 PolarHBondContact O-N 3.33Å; A145-N148 VanDerWaalsContact O-N 3.14Å; E146-N148 PolarHBondContact O-N 3.02Å; N148-M150 VanDerWaalsContact C-N 3.33Å; N148-M150 HydrophobicContact CB-CE 3.63Å; N148-M150 HydrophobicContact CB-CG 4.14Å; N148-M150 HydrophobicContact CB-SD 4.43Å; N148-M150 WeakPolarHBondContact O-CG 3.47Å; N148-M150 PolarHBondContact O-N 2.83Å
149C93.3Very high96.6Very high123 Ų12359 Ų5983%0.83131%0.306SS*.THydrogen-bonded Turntrans55.543-179-57.90000113.4A145 E146A145-C149 PolarHBondContact O-N 3Å; E146-C149 PolarHBondContact O-N 3.5Å; E146-C149 VanDerWaalsContact O-N 3.07Å
150M95.7Very high96.2Very high12 Ų1258.8 Ų58.86%0.05931%0.308CS..  trans-116143.9178.4-53.9-169.7-76.100110.7L92 I109 R121 L123 Y144 A145 N148L92-M150 HydrophobicContact CD1-CE 4.36Å; L92-M150 HydrophobicContact CD1-SD 3.62Å; I109-M150 HydrophobicContact CD1-CE 3.92Å; I109-M150 HydrophobicContact CD1-SD 4.46Å; R121-M150 HydrophobicContact CG-CG 3.98Å; R121-M150 HydrophobicContact CG-SD 3.83Å; L123-M150 HydrophobicContact CB-CE 4.23Å; Y144-M150 HydrophobicContact CD1-CE 4.27Å; Y144-M150 HydrophobicContact CE1-CE 3.84Å; A145-M150 CarbonylContact C-O 3.38Å; A145-M150 HydrophobicContact CB-CB 4.28Å; A145-M150 WeakPolarHBondContact CB-O 3.28Å; A145-M150 PolarHBondContact O-N 3.11Å; N148-M150 VanDerWaalsContact C-N 3.33Å; N148-M150 HydrophobicContact CB-CE 3.63Å; N148-M150 HydrophobicContact CB-CG 4.14Å; N148-M150 HydrophobicContact CB-SD 4.43Å; N148-M150 WeakPolarHBondContact O-CG 3.47Å; N148-M150 PolarHBondContact O-N 2.83Å
151T96.5Very high96.1Very high51 Ų5160.4 Ų60.431%0.31331%0.314SS..EExtended strand (participates in β ladder)trans-74.5143.9166.2-46.10000109.3I122 L123 F153 E169I122-T151 CarbonylContact C-O 3.5Å; I122-T151 WeakPolarHBondContact CA-O 3.3Å; I122-T151 WeakPolarHBondContact CB-O 3.5Å; L123-T151 PolarHBondContact N-O 3.02Å; T151-F153 HydrophobicContact CG2-CD2 4.28Å; T151-F153 HydrophobicContact CG2-CE2 3.6Å; T151-F153 HydrophobicContact CG2-CZ 4.24Å; T151-E169 HydrophobicContact CG2-CG 4.19Å
152F98.3Very high95.9Very high35 Ų3562.4 Ų62.415%0.15433%0.325CS..EExtended strand (participates in β ladder)trans-115.7133.7-176.9174.9-117.8000112.3Y94 L123 T138 A141 R142 A145 E154Y94-F152 HydrophobicContact CE1-CE2 4.14Å; Y94-F152 WeakPolarHBondContact OH-CE2 3.48Å; L123-F152 HydrophobicContact CB-CD2 4.2Å; L123-F152 HydrophobicContact CD2-CD2 3.92Å; L123-F152 HydrophobicContact CD2-CE2 4.35Å; L123-F152 HydrophobicContact CG-CD2 4.03Å; L123-F152 HydrophobicContact CG-CE2 4.49Å; L123-F152 WeakPolarHBondContact O-CA 2.93Å; T138-F152 HydrophobicContact CG2-CE1 3.94Å; A141-F152 HydrophobicContact CB-CD2 4.39Å; A141-F152 HydrophobicContact CB-CE1 4.35Å; A141-F152 HydrophobicContact CB-CE2 3.62Å; A141-F152 HydrophobicContact CB-CZ 3.58Å; R142-F152 HydrophobicContact CB-CD1 3.92Å; R142-F152 HydrophobicContact CB-CE1 4.26Å; R142-F152 HydrophobicContact CG-CD1 4.35Å; A145-F152 HydrophobicContact CB-CB 3.71Å; A145-F152 HydrophobicContact CB-CG 4.44Å; F152-E154 HydrophobicContact CE1-CG 3.9Å; F152-E154 HydrophobicContact CE2-CG 4.18Å; F152-E154 HydrophobicContact CZ-CG 3.39Å
153F98.4Very high95.7Very high36 Ų3657.4 Ų57.416%0.15831%0.307CS..EExtended strand (participates in β ladder)trans-131.8143.2172.2-71.4-89.4000110.9I122 L123 V124 G125 T151 V155 N162 E165 E169I122-F153 HydrophobicContact CD1-CD2 4.27Å; L123-F153 PolarHBondContact O-N 2.83Å; V124-F153 CarbonylContact C-O 3.57Å; V124-F153 VanDerWaalsContact CA-O 3.3Å; V124-F153 WeakPolarHBondContact CA-O 3.42Å; G125-F153 PolarHBondContact N-O 3.42Å; T151-F153 HydrophobicContact CG2-CD2 4.28Å; T151-F153 HydrophobicContact CG2-CE2 3.6Å; T151-F153 HydrophobicContact CG2-CZ 4.24Å; F153-V155 HydrophobicContact CB-CG1 4.26Å; F153-N162 HydrophobicContact CD1-CB 4.49Å; F153-E165 HydrophobicContact CE1-CB 4.35Å; F153-E169 HydrophobicContact CE2-CB 3.86Å; F153-E169 HydrophobicContact CE2-CG 3.88Å; F153-E169 HydrophobicContact CZ-CB 3.67Å; F153-E169 HydrophobicContact CZ-CG 3.86Å
154E98.3Very high95.4Very high22 Ų2259.5 Ų59.510%0.10331%0.309CS..EExtended strand (participates in β ladder)trans-105.7131.6159.8-64.7-173.6161.700108.7G125 L128 R134 T138 F152 N162G125-E154 CarbonylContact O-C 3.57Å; G125-E154 VanDerWaalsContact O-CA 3.23Å; G125-E154 WeakPolarHBondContact O-CA 3.44Å; L128-E154 HydrophobicContact CD1-CB 4.13Å; L128-E154 VanDerWaalsContact CD1-OE2 3.25Å; L128-E154 WeakPolarHBondContact CD1-OE2 3.45Å; L128-E154 HydrophobicContact CD2-CB 4.16Å; R134-E154 IonicContact CZ-OE1 3.36Å; R134-E154 IonicContact CZ-OE2 3.7Å; R134-E154 IonicContact NH1-OE1 2.69Å; R134-E154 PolarHBondContact NH1-OE1 3.47Å; R134-E154 IonicContact NH1-OE2 3.79Å; R134-E154 VanDerWaalsContact NH2-CD 3.3Å; R134-E154 IonicContact NH2-OE1 3.17Å; R134-E154 PolarHBondContact NH2-OE1 2.96Å; R134-E154 VanDerWaalsContact NH2-OE1 3.17Å; R134-E154 IonicContact NH2-OE2 2.75Å; R134-E154 PolarHBondContact NH2-OE2 2.86Å; T138-E154 PolarHBondContact OG1-OE1 3.12Å; T138-E154 PolarHBondContact OG1-OE2 2.92Å; F152-E154 HydrophobicContact CE1-CG 3.9Å; F152-E154 HydrophobicContact CE2-CG 4.18Å; F152-E154 HydrophobicContact CZ-CG 3.39Å; E154-N162 WeakPolarHBondContact O-CB 3.37Å; E154-N162 PolarHBondContact O-ND2 3.44Å
155V97.9Very high95.2Very high1 Ų162.3 Ų62.31%0.00632%0.323CS..  trans-124.7153-172-56.70000111.5I30 V124 G125 N126 R127 L128 F153 F161 N162 V163I30-V155 HydrophobicContact CD1-CG2 4.12Å; I30-V155 HydrophobicContact CG1-CG2 4.34Å; V124-V155 HydrophobicContact CG1-CB 4.28Å; V124-V155 HydrophobicContact CG1-CG1 3.8Å; V124-V155 HydrophobicContact CG1-CG2 3.43Å; V124-V155 VanDerWaalsContact CG1-CG2 3.43Å; G125-V155 PolarHBondContact O-N 3.43Å; N126-V155 HydrophobicContact CB-CG2 4.14Å; R127-V155 PolarHBondContact N-O 2.85Å; L128-V155 VanDerWaalsContact CB-O 3.28Å; L128-V155 WeakPolarHBondContact CB-O 3.38Å; L128-V155 PolarHBondContact N-O 2.88Å; F153-V155 HydrophobicContact CB-CG1 4.26Å; V155-F161 WeakPolarHBondContact CA-O 3.22Å; V155-N162 HydrophobicContact CG1-CB 3.89Å; V155-N162 WeakPolarHBondContact CG1-O 3.48Å; V155-V163 HydrophobicContact CB-CG2 4.33Å
156S96.9Very high95.1Very high2 Ų262.3 Ų62.31%0.01432%0.323CS..BIsolated β-bridgetrans-136.1100.5168.4-177.40000109.3H129 L158 C159 N160 F161H129-S156 WeakPolarHBondContact CB-OG 3.28Å; H129-S156 PolarHBondContact ND1-OG 3.5Å; S156-L158 PolarHBondContact O-N 3.31Å; S156-C159 CarbonylContact O-C 3.5Å; S156-C159 PolarHBondContact O-N 3.25Å; S156-C159 VanDerWaalsContact O-N 3.09Å; S156-C159 PolarHBondContact OG-N 2.89Å; S156-C159 PolarHBondContact OG-SG 3.27Å; S156-N160 PolarHBondContact O-N 2.81Å; S156-F161 PolarHBondContact N-O 3.47Å; S156-F161 PolarHBondContact O-N 3.09Å
157P93.4Very high95.1Very high11 Ų1156 Ų567%0.07129%0.294CS..G310 helixtrans-53.9-40.9170.4-28.737.3000112E29 I30 N126 C159 N160 V163E29-P157 HydrophobicContact CB-CB 4.24Å; E29-P157 HydrophobicContact CB-CG 4.21Å; E29-P157 WeakPolarHBondContact O-CB 3.47Å; I30-P157 HydrophobicContact CB-CG 4.26Å; I30-P157 HydrophobicContact CG1-CG 3.56Å; N126-P157 WeakPolarHBondContact OD1-CD 3.31Å; N126-P157 WeakPolarHBondContact OD1-CG 3.32Å; P157-C159 PolarHBondContact O-N 2.81Å; P157-N160 PolarHBondContact O-N 2.88Å; P157-N160 VanDerWaalsContact O-N 3.13Å; P157-N160 PolarHBondContact O-OD1 3.23Å; P157-V163 HydrophobicContact CG-CG2 4.36Å
158L92.9Very high94.9Very high126 Ų12648.8 Ų48.866%0.6627%0.265SS*.G310 helixtrans-58.1-35177.1-175.865.5000113.1H129 S156H129-L158 HydrophobicContact CB-CD2 4.17Å; H129-L158 VanDerWaalsContact CD2-CD2 3.46Å; H129-L158 WeakPolarHBondContact CD2-CD2 3.33Å; S156-L158 PolarHBondContact O-N 3.31Å
159C92.4Very high95Very high78 Ų7848.9 Ų48.953%0.52726%0.264SS..G310 helixtrans-102.85.6-178.5-53.40000112.9S156 P157 F161S156-C159 CarbonylContact O-C 3.5Å; S156-C159 PolarHBondContact O-N 3.25Å; S156-C159 VanDerWaalsContact O-N 3.09Å; S156-C159 PolarHBondContact OG-N 2.89Å; S156-C159 PolarHBondContact OG-SG 3.27Å; P157-C159 PolarHBondContact O-N 2.81Å; C159-F161 HydrophobicContact CB-CB 4.23Å; C159-F161 PolarHBondContact O-N 3.35Å
160N90.4Very high95.1Very high118 Ų11843 Ų4363%0.63122%0.224SC*.THydrogen-bonded Turntrans47.638.5-169.2-62.3-44000113.2S156 P157S156-N160 PolarHBondContact O-N 2.81Å; P157-N160 PolarHBondContact O-N 2.88Å; P157-N160 VanDerWaalsContact O-N 3.13Å; P157-N160 PolarHBondContact O-OD1 3.23Å
161F94.4Very high95.1Very high100 Ų10042.5 Ų42.544%0.43922%0.221SC..BIsolated β-bridgetrans-103.7127.3-174.4-175.9-98.2000111.5L128 V155 S156 C159 V163L128-F161 HydrophobicContact CD2-CD1 3.51Å; L128-F161 HydrophobicContact CD2-CE1 3.52Å; V155-F161 WeakPolarHBondContact CA-O 3.22Å; S156-F161 PolarHBondContact N-O 3.47Å; S156-F161 PolarHBondContact O-N 3.09Å; C159-F161 HydrophobicContact CB-CB 4.23Å; C159-F161 PolarHBondContact O-N 3.35Å; F161-V163 PolarHBondContact O-N 2.75Å
162N94.9Very high94.9Very high41 Ų4142.7 Ų42.722%0.21922%0.216CC..SBendtrans58.22.8179-78.2-13.8000116.2F153 E154 V155 E165 S166F153-N162 HydrophobicContact CD1-CB 4.49Å; E154-N162 WeakPolarHBondContact O-CB 3.37Å; E154-N162 PolarHBondContact O-ND2 3.44Å; V155-N162 HydrophobicContact CG1-CB 3.89Å; V155-N162 WeakPolarHBondContact CG1-O 3.48Å; N162-E165 VanDerWaalsContact C-OE2 3.23Å; N162-E165 WeakPolarHBondContact CA-OE2 3.49Å; N162-E165 PolarHBondContact N-OE2 2.76Å; N162-S166 WeakPolarHBondContact O-CB 3.31Å; N162-S166 PolarHBondContact O-N 3.41Å; N162-S166 PolarHBondContact O-OG 3.02Å
163V93.6Very high94.7Very high4 Ų443.3 Ų43.32%0.02422%0.221CC..Hα-helixtrans-63.2-59.5179.8177.70000108.9I30 L34 V155 P157 F161 E165 S166 F167I30-V163 HydrophobicContact CG2-CG1 4.24Å; L34-V163 HydrophobicContact CD2-CG1 3.79Å; L34-V163 HydrophobicContact CG-CG1 4.2Å; V155-V163 HydrophobicContact CB-CG2 4.33Å; P157-V163 HydrophobicContact CG-CG2 4.36Å; F161-V163 PolarHBondContact O-N 2.75Å; V163-E165 VanDerWaalsContact C-N 3.31Å; V163-E165 PolarHBondContact O-N 2.69Å; V163-S166 PolarHBondContact O-N 2.75Å; V163-S166 PolarHBondContact O-OG 3.16Å; V163-F167 HydrophobicContact CG1-CD2 4.26Å; V163-F167 HydrophobicContact CG1-CE2 3.98Å; V163-F167 WeakPolarHBondContact O-CD2 3.44Å; V163-F167 PolarHBondContact O-N 3.34Å
164I92.1Very high94.4Very high98 Ų9841.6 Ų41.650%0.50321%0.213SC..Hα-helixtrans-64.4-39.2-177.4-61.8175.3000110.8L34 S166 F167 T168L34-I164 HydrophobicContact CD2-CG1 4.44Å; I164-S166 VanDerWaalsContact C-N 3.33Å; I164-S166 PolarHBondContact O-N 3.34Å; I164-F167 PolarHBondContact O-N 3.14Å; I164-T168 VanDerWaalsContact O-CB 3.27Å; I164-T168 WeakPolarHBondContact O-CB 3.09Å; I164-T168 PolarHBondContact O-N 3.22Å; I164-T168 PolarHBondContact O-OG1 2.83Å
165E93.4Very high94Very high94 Ų9441.1 Ų41.144%0.43921%0.211SC..Hα-helixtrans-60-42.9179.4-66.572.9-165.800111.3F153 N162 V163 T168 E169F153-E165 HydrophobicContact CE1-CB 4.35Å; N162-E165 VanDerWaalsContact C-OE2 3.23Å; N162-E165 WeakPolarHBondContact CA-OE2 3.49Å; N162-E165 PolarHBondContact N-OE2 2.76Å; V163-E165 VanDerWaalsContact C-N 3.31Å; V163-E165 PolarHBondContact O-N 2.69Å; E165-T168 PolarHBondContact O-N 2.78Å; E165-E169 WeakPolarHBondContact O-CB 3.32Å; E165-E169 PolarHBondContact O-N 3.1Å
166S96.6Very high93.5Very high1 Ų144.2 Ų44.21%0.00723%0.227CC..Hα-helixtrans-63.2-45.117871.80000112.4I122 N162 V163 I164 E169 L170I122-S166 WeakPolarHBondContact CD1-O 3.48Å; N162-S166 WeakPolarHBondContact O-CB 3.31Å; N162-S166 PolarHBondContact O-N 3.41Å; N162-S166 PolarHBondContact O-OG 3.02Å; V163-S166 PolarHBondContact O-N 2.75Å; V163-S166 PolarHBondContact O-OG 3.16Å; I164-S166 VanDerWaalsContact C-N 3.33Å; I164-S166 PolarHBondContact O-N 3.34Å; S166-E169 PolarHBondContact O-N 2.79Å; S166-L170 PolarHBondContact O-N 3.37Å; S166-L170 VanDerWaalsContact O-N 3.08Å
167F95.9Very high92.9Very high0 Ų051.7 Ų51.70%026%0.255CS..Hα-helixtrans-66.3-37.3175.1-72.4-75.6000112.4F17 L19 I30 L34 L65 L67 L91 V163 I164 S171F17-F167 HydrophobicContact CD2-CD1 4.03Å; F17-F167 HydrophobicContact CE2-CD1 4.48Å; L19-F167 HydrophobicContact CD1-CE1 4.34Å; I30-F167 HydrophobicContact CG2-CE2 3.71Å; I30-F167 HydrophobicContact CG2-CZ 3.82Å; L34-F167 HydrophobicContact CD1-CD2 4.13Å; L34-F167 HydrophobicContact CD1-CE1 4.48Å; L34-F167 HydrophobicContact CD1-CE2 3.65Å; L34-F167 HydrophobicContact CD1-CZ 3.85Å; L34-F167 HydrophobicContact CD2-CD2 3.97Å; L34-F167 HydrophobicContact CD2-CE2 4.09Å; L34-F167 HydrophobicContact CG-CE2 4.22Å; L65-F167 HydrophobicContact CD1-CB 3.98Å; L65-F167 HydrophobicContact CD1-CD1 4.2Å; L65-F167 HydrophobicContact CD1-CG 4.35Å; L67-F167 HydrophobicContact CD1-CE1 3.98Å; L67-F167 HydrophobicContact CD1-CZ 4.22Å; L67-F167 HydrophobicContact CD2-CD1 4.03Å; L67-F167 HydrophobicContact CD2-CE1 3.69Å; L67-F167 HydrophobicContact CG-CE1 4.49Å; L91-F167 HydrophobicContact CD1-CD1 4.13Å; L91-F167 HydrophobicContact CD1-CE1 3.7Å; L91-F167 HydrophobicContact CD2-CD1 3.92Å; L91-F167 HydrophobicContact CD2-CE1 3.48Å; L91-F167 VanDerWaalsContact CD2-CE1 3.48Å; L91-F167 HydrophobicContact CD2-CE2 4.25Å; L91-F167 HydrophobicContact CD2-CG 4.49Å; L91-F167 HydrophobicContact CD2-CZ 3.64Å; L91-F167 HydrophobicContact CG-CE1 4.28Å; V163-F167 HydrophobicContact CG1-CD2 4.26Å; V163-F167 HydrophobicContact CG1-CE2 3.98Å; V163-F167 WeakPolarHBondContact O-CD2 3.44Å; V163-F167 PolarHBondContact O-N 3.34Å; I164-F167 PolarHBondContact O-N 3.14Å; F167-S171 VanDerWaalsContact O-CB 3.32Å; F167-S171 WeakPolarHBondContact O-CB 3.09Å; F167-S171 PolarHBondContact O-N 3.2Å; F167-S171 PolarHBondContact O-OG 2.79Å
168T93.7Very high92.1Very high23 Ų2356.7 Ų56.714%0.14128%0.276CS..Hα-helixtrans-65-44.2178.3-60.60000110.9L58 I164 E165 S171 R172L58-T168 HydrophobicContact CD1-CG2 3.43Å; L58-T168 VanDerWaalsContact CD1-CG2 3.43Å; I164-T168 VanDerWaalsContact O-CB 3.27Å; I164-T168 WeakPolarHBondContact O-CB 3.09Å; I164-T168 PolarHBondContact O-N 3.22Å; I164-T168 PolarHBondContact O-OG1 2.83Å; E165-T168 PolarHBondContact O-N 2.78Å; T168-S171 WeakPolarHBondContact O-CB 3.47Å; T168-S171 PolarHBondContact O-N 2.88Å; T168-R172 PolarHBondContact O-N 2.83Å
169E95.2Very high90.7Very high51 Ų5153.4 Ų53.424%0.23827%0.274CS..Hα-helixtrans-67-45.1178.4-17859.1-167.200111.9T151 F153 E165 S166 S171 R172 I173T151-E169 HydrophobicContact CG2-CG 4.19Å; F153-E169 HydrophobicContact CE2-CB 3.86Å; F153-E169 HydrophobicContact CE2-CG 3.88Å; F153-E169 HydrophobicContact CZ-CB 3.67Å; F153-E169 HydrophobicContact CZ-CG 3.86Å; E165-E169 WeakPolarHBondContact O-CB 3.32Å; E165-E169 PolarHBondContact O-N 3.1Å; S166-E169 PolarHBondContact O-N 2.79Å; E169-S171 VanDerWaalsContact C-N 3.29Å; E169-S171 PolarHBondContact O-N 2.8Å; E169-R172 WeakPolarHBondContact O-CB 3.45Å; E169-R172 PolarHBondContact O-N 2.96Å; E169-R172 IonicContact OE2-CZ 3.76Å; E169-R172 IonicContact OE2-NH1 2.65Å; E169-R172 PolarHBondContact OE2-NH1 3.03Å; E169-I173 HydrophobicContact CG-CD1 4.17Å; E169-I173 WeakPolarHBondContact O-CG1 3.44Å; E169-I173 PolarHBondContact O-N 3.46Å
170L96.1Very high89Confident0 Ų051.4 Ų51.40%026%0.257CS..Hα-helixtrans-59.3-42.8173.8-179.760.1000111.3F17 L91 P120 I122 S166 R172 I173 V174F17-L170 HydrophobicContact CD1-CD2 4.15Å; F17-L170 HydrophobicContact CD2-CD2 3.79Å; F17-L170 HydrophobicContact CD2-CG 4.4Å; F17-L170 HydrophobicContact CE1-CD2 4.22Å; F17-L170 HydrophobicContact CE1-CG 4.11Å; F17-L170 HydrophobicContact CE2-CB 4.23Å; F17-L170 HydrophobicContact CE2-CD2 3.83Å; F17-L170 HydrophobicContact CE2-CG 3.94Å; F17-L170 HydrophobicContact CG-CD2 3.97Å; F17-L170 HydrophobicContact CZ-CB 4.33Å; F17-L170 HydrophobicContact CZ-CD2 4.06Å; F17-L170 HydrophobicContact CZ-CG 3.79Å; L91-L170 HydrophobicContact CD1-CD2 3.52Å; L91-L170 HydrophobicContact CG-CD2 3.92Å; P120-L170 HydrophobicContact CB-CD1 4.23Å; I122-L170 HydrophobicContact CD1-CB 4.08Å; I122-L170 HydrophobicContact CG1-CB 4.44Å; I122-L170 HydrophobicContact CG1-CD2 4.41Å; I122-L170 HydrophobicContact CG2-CB 4.41Å; I122-L170 HydrophobicContact CG2-CD1 4.23Å; S166-L170 PolarHBondContact O-N 3.37Å; S166-L170 VanDerWaalsContact O-N 3.08Å; L170-R172 VanDerWaalsContact C-N 3.33Å; L170-R172 PolarHBondContact O-N 2.8Å; L170-I173 PolarHBondContact O-N 3.13Å; L170-V174 HydrophobicContact CD1-CG2 4.15Å; L170-V174 HydrophobicContact CG-CG2 4.43Å; L170-V174 WeakPolarHBondContact O-CB 3.41Å; L170-V174 VanDerWaalsContact O-CG2 3.24Å; L170-V174 WeakPolarHBondContact O-CG2 3.37Å; L170-V174 PolarHBondContact O-N 2.9Å
171S95.1Very high87.3Confident0 Ų052.4 Ų52.40%026%0.258CS..Hα-helixtrans-59.5-42.4176-58.60000112.6F17 F167 T168 E169 V174 L175F17-S171 WeakPolarHBondContact CE2-OG 3.42Å; F17-S171 WeakPolarHBondContact CZ-OG 3.29Å; F167-S171 VanDerWaalsContact O-CB 3.32Å; F167-S171 WeakPolarHBondContact O-CB 3.09Å; F167-S171 PolarHBondContact O-N 3.2Å; F167-S171 PolarHBondContact O-OG 2.79Å; T168-S171 WeakPolarHBondContact O-CB 3.47Å; T168-S171 PolarHBondContact O-N 2.88Å; E169-S171 VanDerWaalsContact C-N 3.29Å; E169-S171 PolarHBondContact O-N 2.8Å; S171-V174 PolarHBondContact O-N 3.25Å; S171-L175 WeakPolarHBondContact O-CB 3.43Å; S171-L175 WeakPolarHBondContact O-CD1 3.41Å; S171-L175 VanDerWaalsContact O-CG 3.23Å; S171-L175 WeakPolarHBondContact O-CG 3.36Å; S171-L175 PolarHBondContact O-N 3.12Å
172R93.3Very high85.2Confident56 Ų5656.8 Ų56.821%0.21128%0.277CS..Hα-helixtrans-59.8-50.1175.2-178-179.4-68.1108.12.5111.3L58 T168 E169 L170 V174 L175 M176 W184L58-R172 HydrophobicContact CD1-CB 4.31Å; L58-R172 HydrophobicContact CD2-CB 4.45Å; T168-R172 PolarHBondContact O-N 2.83Å; E169-R172 WeakPolarHBondContact O-CB 3.45Å; E169-R172 PolarHBondContact O-N 2.96Å; E169-R172 IonicContact OE2-CZ 3.76Å; E169-R172 IonicContact OE2-NH1 2.65Å; E169-R172 PolarHBondContact OE2-NH1 3.03Å; L170-R172 VanDerWaalsContact C-N 3.33Å; L170-R172 PolarHBondContact O-N 2.8Å; R172-V174 VanDerWaalsContact C-N 3.33Å; R172-V174 PolarHBondContact O-N 2.87Å; R172-L175 PolarHBondContact O-N 2.84Å; R172-M176 HydrophobicContact CG-CE 3.76Å; R172-M176 HydrophobicContact CG-SD 4.18Å; R172-M176 WeakPolarHBondContact O-CB 3.24Å; R172-M176 VanDerWaalsContact O-CG 3.31Å; R172-M176 WeakPolarHBondContact O-CG 3.31Å; R172-M176 PolarHBondContact O-N 3.08Å; R172-W184 HydrophobicContact CG-CH2 4.32Å; R172-W184 HydrophobicContact CG-CZ2 3.96Å
173I93.1Very high83.2Confident48 Ų4858.7 Ų58.725%0.24629%0.286CS..Hα-helixtrans-58.6-46179.6-65.1164.7000110.8P120 I122 E169 L170 M176 R177P120-I173 HydrophobicContact CB-CG2 3.71Å; P120-I173 HydrophobicContact CG-CG2 4.12Å; I122-I173 HydrophobicContact CG2-CD1 4.33Å; E169-I173 HydrophobicContact CG-CD1 4.17Å; E169-I173 WeakPolarHBondContact O-CG1 3.44Å; E169-I173 PolarHBondContact O-N 3.46Å; L170-I173 PolarHBondContact O-N 3.13Å; I173-M176 PolarHBondContact O-N 3.48Å; I173-R177 WeakPolarHBondContact O-CB 3.48Å; I173-R177 PolarHBondContact O-N 3.36Å; I173-R177 VanDerWaalsContact O-N 3.09Å
174V93.3Very high81.1Confident0 Ų062.1 Ų62.10%030%0.298CS..Hα-helixtrans-63.6-48.3-179.31710000111.4L15 F17 Q88 P120 L170 S171 R172 M176 R177 H178L15-V174 HydrophobicContact CD1-CG1 4.34Å; L15-V174 HydrophobicContact CD2-CG1 3.82Å; F17-V174 HydrophobicContact CE1-CG2 4.03Å; Q88-V174 HydrophobicContact CB-CG1 3.85Å; Q88-V174 WeakPolarHBondContact O-CG2 3.48Å; P120-V174 HydrophobicContact CB-CG2 4.12Å; P120-V174 HydrophobicContact CG-CG2 4.05Å; L170-V174 HydrophobicContact CD1-CG2 4.15Å; L170-V174 HydrophobicContact CG-CG2 4.43Å; L170-V174 WeakPolarHBondContact O-CB 3.41Å; L170-V174 VanDerWaalsContact O-CG2 3.24Å; L170-V174 WeakPolarHBondContact O-CG2 3.37Å; L170-V174 PolarHBondContact O-N 2.9Å; S171-V174 PolarHBondContact O-N 3.25Å; R172-V174 VanDerWaalsContact C-N 3.33Å; R172-V174 PolarHBondContact O-N 2.87Å; V174-M176 PolarHBondContact O-N 3.32Å; V174-R177 PolarHBondContact O-N 3.16Å; V174-H178 PolarHBondContact O-CD2 3.21Å; V174-H178 PolarHBondContact O-N 3.13Å
175L90.3Very high79.2Confident12 Ų1267 Ų676%0.06331%0.311CS..Hα-helixtrans-65.7-38.4-180-68.6168.4000112Y13 L15 L58 V63 S171 R172 R177 H178 M180Y13-L175 HydrophobicContact CD1-CD2 4.09Å; Y13-L175 HydrophobicContact CD2-CD1 3.88Å; Y13-L175 HydrophobicContact CD2-CD2 3.88Å; Y13-L175 HydrophobicContact CE2-CD1 4.32Å; Y13-L175 HydrophobicContact CE2-CD2 4.32Å; Y13-L175 HydrophobicContact CG-CD1 4.47Å; Y13-L175 HydrophobicContact CG-CD2 3.74Å; L15-L175 HydrophobicContact CD1-CD1 4.4Å; L15-L175 HydrophobicContact CD1-CD2 4.42Å; L15-L175 HydrophobicContact CD1-CG 4.14Å; L15-L175 HydrophobicContact CD2-CD2 4.01Å; L15-L175 HydrophobicContact CD2-CG 4.49Å; L58-L175 HydrophobicContact CD2-CD1 3.57Å; V63-L175 HydrophobicContact CG2-CD1 4.28Å; S171-L175 WeakPolarHBondContact O-CB 3.43Å; S171-L175 WeakPolarHBondContact O-CD1 3.41Å; S171-L175 VanDerWaalsContact O-CG 3.23Å; S171-L175 WeakPolarHBondContact O-CG 3.36Å; S171-L175 PolarHBondContact O-N 3.12Å; R172-L175 PolarHBondContact O-N 2.84Å; L175-R177 VanDerWaalsContact C-N 3.34Å; L175-R177 PolarHBondContact O-N 3.04Å; L175-H178 PolarHBondContact O-N 2.74Å; L175-M180 HydrophobicContact CB-SD 4.38Å; L175-M180 HydrophobicContact CD2-SD 3.53Å; L175-M180 VanDerWaalsContact CD2-SD 3.53Å; L175-M180 VanDerWaalsContact O-CB 3.23Å; L175-M180 WeakPolarHBondContact O-CB 3.46Å; L175-M180 WeakPolarHBondContact O-CG 3.43Å; L175-M180 PolarHBondContact O-N 2.93Å
176M86.6Confident76.9Confident66 Ų6666.4 Ų66.433%0.32532%0.315SS..Hα-helixtrans-59-46.4173.6-76.2-179.8173.900111.4R172 I173 V174 H178 G179 W184R172-M176 HydrophobicContact CG-CE 3.76Å; R172-M176 HydrophobicContact CG-SD 4.18Å; R172-M176 WeakPolarHBondContact O-CB 3.24Å; R172-M176 VanDerWaalsContact O-CG 3.31Å; R172-M176 WeakPolarHBondContact O-CG 3.31Å; R172-M176 PolarHBondContact O-N 3.08Å; I173-M176 PolarHBondContact O-N 3.48Å; V174-M176 PolarHBondContact O-N 3.32Å; M176-H178 VanDerWaalsContact C-N 3.29Å; M176-H178 PolarHBondContact O-N 2.97Å; M176-G179 PolarHBondContact O-N 2.9Å; M176-G179 VanDerWaalsContact O-N 3.11Å; M176-W184 HydrophobicContact CE-CD2 4.17Å; M176-W184 HydrophobicContact CE-CE3 3.53Å; M176-W184 HydrophobicContact CE-CH2 3.33Å; M176-W184 HydrophobicContact CE-CZ2 3.99Å; M176-W184 HydrophobicContact CE-CZ3 3.07Å
177R83.4Confident74.6Confident159 Ų15971.3 Ų71.360%0.634%0.341SS*.Hα-helixtrans-64.2-30.5-178-168.4173.5-174.2161-5.6113.8G118 I173 V174 L175 G179G118-R177 PolarHBondContact O-NH1 3.42Å; G118-R177 PolarHBondContact O-NH2 2.79Å; I173-R177 WeakPolarHBondContact O-CB 3.48Å; I173-R177 PolarHBondContact O-N 3.36Å; I173-R177 VanDerWaalsContact O-N 3.09Å; V174-R177 PolarHBondContact O-N 3.16Å; L175-R177 VanDerWaalsContact C-N 3.34Å; L175-R177 PolarHBondContact O-N 3.04Å; R177-G179 PolarHBondContact O-N 3.4Å; R177-G179 VanDerWaalsContact O-N 3.11Å
178H77.3Confident72.6Confident115 Ų11580.2 Ų80.253%0.53237%0.374SS..THydrogen-bonded Turntrans-75.814.8175.6-76-68.5000114V174 L175 M176 M180V174-H178 PolarHBondContact O-CD2 3.21Å; V174-H178 PolarHBondContact O-N 3.13Å; L175-H178 PolarHBondContact O-N 2.74Å; M176-H178 VanDerWaalsContact C-N 3.29Å; M176-H178 PolarHBondContact O-N 2.97Å; H178-M180 VanDerWaalsContact C-N 3.29Å; H178-M180 HydrophobicContact CB-CG 4.22Å; H178-M180 PolarHBondContact O-N 2.84Å
179G63.2Low70.7Confident58 Ų5885.6 Ų85.660%0.59841%0.407SS*.THydrogen-bonded Turntrans74.720.5176.300000113.2M176 R177 E181M176-G179 PolarHBondContact O-N 2.9Å; M176-G179 VanDerWaalsContact O-N 3.11Å; R177-G179 PolarHBondContact O-N 3.4Å; R177-G179 VanDerWaalsContact O-N 3.11Å; G179-E181 PolarHBondContact O-N 3.19Å
180M57.7Low69Low36 Ų3686.7 Ų86.718%0.17741%0.411CS..G310 helixtrans-82.27.2-179.4-47.7-159.787.600113.2Y13 L175 H178 K182 I183 W184Y13-M180 HydrophobicContact CD1-CE 4.01Å; Y13-M180 HydrophobicContact CD1-SD 4.15Å; Y13-M180 HydrophobicContact CE1-CE 3.12Å; Y13-M180 HydrophobicContact CE1-SD 3.69Å; Y13-M180 WeakPolarHBondContact OH-CE 3.19Å; L175-M180 HydrophobicContact CB-SD 4.38Å; L175-M180 HydrophobicContact CD2-SD 3.53Å; L175-M180 VanDerWaalsContact CD2-SD 3.53Å; L175-M180 VanDerWaalsContact O-CB 3.23Å; L175-M180 WeakPolarHBondContact O-CB 3.46Å; L175-M180 WeakPolarHBondContact O-CG 3.43Å; L175-M180 PolarHBondContact O-N 2.93Å; H178-M180 VanDerWaalsContact C-N 3.29Å; H178-M180 HydrophobicContact CB-CG 4.22Å; H178-M180 PolarHBondContact O-N 2.84Å; M180-K182 PolarHBondContact O-N 2.77Å; M180-I183 HydrophobicContact CE-CD1 3.89Å; M180-I183 CarbonylContact O-C 3.41Å; M180-I183 WeakPolarHBondContact O-CA 3.44Å; M180-I183 WeakPolarHBondContact O-CB 3.43Å; M180-I183 PolarHBondContact O-N 3Å; M180-W184 WeakPolarHBondContact O-CB 3.5Å; M180-W184 PolarHBondContact O-N 3.05Å
181E53.8Low68.1Low139 Ų13989.1 Ų89.165%0.6543%0.428SS*.G310 helixtrans-53.6-38.1179-61.9-167.7169.100113.2G179 I183 W184G179-E181 PolarHBondContact O-N 3.19Å; E181-I183 PolarHBondContact O-N 2.97Å; E181-W184 CarbonylContact O-C 3.6Å; E181-W184 PolarHBondContact O-N 2.52Å
182K51.4Low67.1Low192 Ų19295.6 Ų95.684%0.83546%0.462SS*.G310 helixtrans-66.9-26.1178.4-69.2-175.2-179.8177.40113.2M180M180-K182 PolarHBondContact O-N 2.77Å
183I52Low66.5Low81 Ų8198 Ų9842%0.41548%0.476SS..THydrogen-bonded Turntrans-91.5-32.2-179.3-60170.1000109.6Y13 R61 M180 E181 R185Y13-I183 WeakPolarHBondContact OH-CG2 3.4Å; R61-I183 VanDerWaalsContact CZ-CG2 3.41Å; R61-I183 PolarHBondContact NH2-O 3.26Å; M180-I183 HydrophobicContact CE-CD1 3.89Å; M180-I183 CarbonylContact O-C 3.41Å; M180-I183 WeakPolarHBondContact O-CA 3.44Å; M180-I183 WeakPolarHBondContact O-CB 3.43Å; M180-I183 PolarHBondContact O-N 3Å; E181-I183 PolarHBondContact O-N 2.97Å; I183-R185 PolarHBondContact O-N 2.91Å; I183-R185 VanDerWaalsContact O-N 3.13Å
184W49.8Very low65.7Low75 Ų7597.7 Ų97.728%0.28448%0.475SS..  trans-8444.7173-152.576.4000111.2D59 R172 M176 M180 E181D59-W184 WeakPolarHBondContact OD2-CZ2 3.3Å; D59-W184 PolarHBondContact OD2-NE1 3.49Å; R172-W184 HydrophobicContact CG-CH2 4.32Å; R172-W184 HydrophobicContact CG-CZ2 3.96Å; M176-W184 HydrophobicContact CE-CD2 4.17Å; M176-W184 HydrophobicContact CE-CE3 3.53Å; M176-W184 HydrophobicContact CE-CH2 3.33Å; M176-W184 HydrophobicContact CE-CZ2 3.99Å; M176-W184 HydrophobicContact CE-CZ3 3.07Å; M180-W184 WeakPolarHBondContact O-CB 3.5Å; M180-W184 PolarHBondContact O-N 3.05Å; E181-W184 CarbonylContact O-C 3.6Å; E181-W184 PolarHBondContact O-N 2.52Å
185R51.4Low65.1Low202 Ų202102.1 Ų102.176%0.76250%0.498SS*.  trans-59.3126.8149.1-69.3-167.6-179.5-162.7-0.2103.9I183 N187I183-R185 PolarHBondContact O-N 2.91Å; I183-R185 VanDerWaalsContact O-N 3.13Å; R185-N187 PolarHBondContact O-N 3.31Å
186P45.2Very low64.7Low81 Ų81104.4 Ų104.453%0.52651%0.514SS..  trans-47.2138.8172.119.5-30.2000105.7R188P186-R188 HydrophobicContact CG-CG 4.39Å; P186-R188 PolarHBondContact O-N 3.08Å
187N48.5Very low64.6Low104 Ų104101.5 Ų101.556%0.55650%0.5SS*.  trans-58.677157.7-90.8-36.5000105.1D59 R185 V189D59-N187 PolarHBondContact O-ND2 3.33Å; R185-N187 PolarHBondContact O-N 3.31Å; N187-V189 PolarHBondContact O-N 3.05Å
188R53.4Low64.6Low186 Ų18698.5 Ų98.570%0.70249%0.489SS*.  trans-6094.2154.8-88.4-167.4-179.9-168.41.1100P186 F190P186-R188 HydrophobicContact CG-CG 4.39Å; P186-R188 PolarHBondContact O-N 3.08Å; R188-F190 PolarHBondContact O-N 3.08Å
189V53.8Low64.8Low137 Ų13795.8 Ų95.883%0.8349%0.486SS*.  trans-49.699.6155.9-179.20000102.2N187 S191N187-V189 PolarHBondContact O-N 3.05Å; V189-S191 PolarHBondContact O-N 3.35Å; V189-S191 VanDerWaalsContact O-N 3.15Å
190F60Low65.9Low73 Ų7395.1 Ų95.132%0.3247%0.469SS..  trans-58.2128.6-179.7-77.8-67.4000104R188 D194 L195 R198R188-F190 PolarHBondContact O-N 3.08Å; F190-D194 HydrophobicContact CB-CB 3.76Å; F190-D194 HydrophobicContact CD1-CB 3.75Å; F190-D194 HydrophobicContact CG-CB 4.18Å; F190-L195 HydrophobicContact CB-CD1 4.41Å; F190-L195 HydrophobicContact CB-CD2 4.09Å; F190-L195 HydrophobicContact CB-CG 3.74Å; F190-R198 VanDerWaalsContact CZ-CZ 3.42Å; F190-R198 VanDerWaalsContact CZ-NH2 3.3Å
191S77.1Confident67.2Low52 Ų5293.9 Ų93.936%0.36446%0.463SS..  trans-51.6151.2172.462.20000107.9V189 Q193 D194 L195V189-S191 PolarHBondContact O-N 3.35Å; V189-S191 VanDerWaalsContact O-N 3.15Å; S191-Q193 PolarHBondContact O-N 3.34Å; S191-D194 PolarHBondContact N-OD2 3.29Å; S191-D194 WeakPolarHBondContact O-CA 3.3Å; S191-D194 WeakPolarHBondContact O-CB 3.38Å; S191-D194 PolarHBondContact O-N 3.47Å; S191-D194 VanDerWaalsContact OG-CG 3.25Å; S191-D194 PolarHBondContact OG-N 3.28Å; S191-D194 PolarHBondContact OG-OD2 2.93Å; S191-L195 PolarHBondContact O-N 3.28Å
192L75.1Confident68.5Low136 Ų13690.5 Ų90.571%0.71246%0.455SS*.Hα-helixtrans-49.7-36173179.663.1000110.3L195 C196L192-L195 PolarHBondContact O-N 3.23Å; L192-C196 WeakPolarHBondContact O-CB 3.42Å; L192-C196 PolarHBondContact O-N 2.9Å; L192-C196 PolarHBondContact O-SG 3.46Å
193Q79.4Confident69.9Low105 Ų10585.7 Ų85.749%0.49144%0.444SS..Hα-helixtrans-60.7-46.1173.4-168.2173.55.100113.2S191 C196 C197S191-Q193 PolarHBondContact O-N 3.34Å; Q193-C196 PolarHBondContact O-N 3.04Å; Q193-C197 VanDerWaalsContact O-CB 3.29Å; Q193-C197 WeakPolarHBondContact O-CB 3.15Å; Q193-C197 PolarHBondContact O-N 3.17Å; Q193-C197 PolarHBondContact O-SG 3.23Å
194D77.9Confident71.4Confident43 Ų4382.8 Ų82.823%0.2343%0.43CS..Hα-helixtrans-63.9-39.7175.3-75.9-50.3000112.5F190 S191 C197 R198F190-D194 HydrophobicContact CB-CB 3.76Å; F190-D194 HydrophobicContact CD1-CB 3.75Å; F190-D194 HydrophobicContact CG-CB 4.18Å; S191-D194 PolarHBondContact N-OD2 3.29Å; S191-D194 WeakPolarHBondContact O-CA 3.3Å; S191-D194 WeakPolarHBondContact O-CB 3.38Å; S191-D194 PolarHBondContact O-N 3.47Å; S191-D194 VanDerWaalsContact OG-CG 3.25Å; S191-D194 PolarHBondContact OG-N 3.28Å; S191-D194 PolarHBondContact OG-OD2 2.93Å; D194-C197 PolarHBondContact O-N 3.28Å; D194-R198 WeakPolarHBondContact O-CG 3.44Å; D194-R198 PolarHBondContact O-N 2.88Å
195L79.4Confident72.9Confident93 Ų9381 Ų8149%0.48743%0.428SS..Hα-helixtrans-65.1-48.5176.5-75.3165.8000111.2F190 S191 L192 C197 R198 A199F190-L195 HydrophobicContact CB-CD1 4.41Å; F190-L195 HydrophobicContact CB-CD2 4.09Å; F190-L195 HydrophobicContact CB-CG 3.74Å; S191-L195 PolarHBondContact O-N 3.28Å; L192-L195 PolarHBondContact O-N 3.23Å; L195-C197 VanDerWaalsContact C-N 3.31Å; L195-C197 PolarHBondContact O-N 3.28Å; L195-R198 PolarHBondContact O-N 3.06Å; L195-A199 WeakPolarHBondContact O-CB 3.48Å; L195-A199 PolarHBondContact O-N 3.32Å
196C81.6Confident74.3Confident59 Ų5972.6 Ų72.640%0.39940%0.399SS..Hα-helixtrans-60.2-41.7174.7-69.60000111.2L192 Q193 A199 I200L192-C196 WeakPolarHBondContact O-CB 3.42Å; L192-C196 PolarHBondContact O-N 2.9Å; L192-C196 PolarHBondContact O-SG 3.46Å; Q193-C196 PolarHBondContact O-N 3.04Å; C196-A199 PolarHBondContact O-N 3.11Å; C196-I200 WeakPolarHBondContact O-CB 3.48Å; C196-I200 WeakPolarHBondContact O-CD1 3.45Å; C196-I200 WeakPolarHBondContact O-CG1 3.27Å; C196-I200 PolarHBondContact O-N 3.44Å
197C84.4Confident76.1Confident5 Ų574.1 Ų74.13%0.03440%0.399CS..Hα-helixtrans-63.1-44.7177.5-71.20000112Q193 D194 L195 V201 L222 F225Q193-C197 VanDerWaalsContact O-CB 3.29Å; Q193-C197 WeakPolarHBondContact O-CB 3.15Å; Q193-C197 PolarHBondContact O-N 3.17Å; Q193-C197 PolarHBondContact O-SG 3.23Å; D194-C197 PolarHBondContact O-N 3.28Å; L195-C197 VanDerWaalsContact C-N 3.31Å; L195-C197 PolarHBondContact O-N 3.28Å; C197-V201 VanDerWaalsContact O-CB 3.27Å; C197-V201 WeakPolarHBondContact O-CB 3.22Å; C197-V201 VanDerWaalsContact O-CG2 3.23Å; C197-V201 WeakPolarHBondContact O-CG2 3.38Å; C197-V201 PolarHBondContact O-N 3.43Å; C197-L222 HydrophobicContact CB-CD2 3.86Å; C197-F225 HydrophobicContact CB-CB 4.36Å; C197-F225 HydrophobicContact CB-CD1 3.85Å; C197-F225 HydrophobicContact CB-CD2 4.06Å; C197-F225 HydrophobicContact CB-CE1 4.14Å; C197-F225 HydrophobicContact CB-CE2 4.33Å; C197-F225 HydrophobicContact CB-CG 3.82Å; C197-F225 HydrophobicContact CB-CZ 4.37Å
198R83.6Confident77.8Confident97 Ų9772.9 Ų72.937%0.36639%0.392SS..Hα-helixtrans-60.1-47.6174.4-76.2178.6172.5-128.9-8.2112.2F190 D194 L195 S202 F225F190-R198 VanDerWaalsContact CZ-CZ 3.42Å; F190-R198 VanDerWaalsContact CZ-NH2 3.3Å; D194-R198 WeakPolarHBondContact O-CG 3.44Å; D194-R198 PolarHBondContact O-N 2.88Å; L195-R198 PolarHBondContact O-N 3.06Å; R198-S202 VanDerWaalsContact O-CB 3.23Å; R198-S202 WeakPolarHBondContact O-CB 3.31Å; R198-S202 PolarHBondContact O-N 3Å; R198-S202 PolarHBondContact O-OG 3Å; R198-F225 HydrophobicContact CB-CE1 4.36Å; R198-F225 HydrophobicContact CG-CE1 3.52Å; R198-F225 HydrophobicContact CG-CZ 3.42Å; R198-F225 VanDerWaalsContact CG-CZ 3.42Å
199A82.2Confident79.3Confident57 Ų5764 Ų6447%0.47136%0.359SS..Hα-helixtrans-60.6-50.6-179.700000111L195 C196 S202 C203L195-A199 WeakPolarHBondContact O-CB 3.48Å; L195-A199 PolarHBondContact O-N 3.32Å; C196-A199 PolarHBondContact O-N 3.11Å; A199-S202 PolarHBondContact O-N 2.69Å; A199-S202 PolarHBondContact O-OG 3.48Å; A199-C203 PolarHBondContact O-N 3.3Å; A199-C203 PolarHBondContact O-SG 3.19Å
200I86.1Confident80.7Confident45 Ų4561.3 Ų61.323%0.23134%0.339CS..Hα-helixtrans-64.5-46.5-178.1-65.7164.8000111.4C196 S202 C203 T204 L212 L214 L222C196-I200 WeakPolarHBondContact O-CB 3.48Å; C196-I200 WeakPolarHBondContact O-CD1 3.45Å; C196-I200 WeakPolarHBondContact O-CG1 3.27Å; C196-I200 PolarHBondContact O-N 3.44Å; I200-S202 VanDerWaalsContact C-N 3.28Å; I200-S202 PolarHBondContact O-N 3.32Å; I200-C203 PolarHBondContact O-N 3.44Å; I200-C203 PolarHBondContact O-SG 3.29Å; I200-C203 VanDerWaalsContact O-SG 3.42Å; I200-T204 WeakPolarHBondContact O-CA 3.31Å; I200-T204 WeakPolarHBondContact O-CB 3.37Å; I200-T204 PolarHBondContact O-N 3.11Å; I200-T204 PolarHBondContact O-OG1 3.38Å; I200-L212 HydrophobicContact CG2-CD1 3.75Å; I200-L214 HydrophobicContact CD1-CD1 4.46Å; I200-L222 HydrophobicContact CB-CD2 3.99Å; I200-L222 HydrophobicContact CD1-CD1 4.29Å; I200-L222 HydrophobicContact CD1-CD2 4.18Å; I200-L222 HydrophobicContact CG2-CD1 3.93Å; I200-L222 HydrophobicContact CG2-CD2 4.04Å
201V85.9Confident82Confident9 Ų966.2 Ų66.26%0.05536%0.361CS..Hα-helixtrans-69.4-26.8-179173.50000112C197 C203 I209 L222 F225 S226 M231C197-V201 VanDerWaalsContact O-CB 3.27Å; C197-V201 WeakPolarHBondContact O-CB 3.22Å; C197-V201 VanDerWaalsContact O-CG2 3.23Å; C197-V201 WeakPolarHBondContact O-CG2 3.38Å; C197-V201 PolarHBondContact O-N 3.43Å; V201-C203 VanDerWaalsContact C-N 3.31Å; V201-C203 PolarHBondContact O-N 2.9Å; V201-I209 HydrophobicContact CG2-CD1 4.42Å; V201-L222 HydrophobicContact CG2-CB 4.49Å; V201-L222 HydrophobicContact CG2-CD2 4.1Å; V201-F225 HydrophobicContact CG2-CD1 4.39Å; V201-S226 WeakPolarHBondContact CG1-OG 3.35Å; V201-M231 HydrophobicContact CG1-CB 4.19Å; V201-M231 HydrophobicContact CG1-SD 4.1Å
202S80.5Confident82.4Confident69 Ų6965.6 Ų65.648%0.48335%0.353SS..Hα-helixtrans-68.4-28.6176.672.80000113.7R198 A199 I200R198-S202 VanDerWaalsContact O-CB 3.23Å; R198-S202 WeakPolarHBondContact O-CB 3.31Å; R198-S202 PolarHBondContact O-N 3Å; R198-S202 PolarHBondContact O-OG 3Å; A199-S202 PolarHBondContact O-N 2.69Å; A199-S202 PolarHBondContact O-OG 3.48Å; I200-S202 VanDerWaalsContact C-N 3.28Å; I200-S202 PolarHBondContact O-N 3.32Å
203C80.3Confident83Confident90 Ų9065.2 Ų65.261%0.60836%0.359SS*.Hα-helixtrans-112.9-6.8-178.260.60000114A199 I200 V201A199-C203 PolarHBondContact O-N 3.3Å; A199-C203 PolarHBondContact O-SG 3.19Å; I200-C203 PolarHBondContact O-N 3.44Å; I200-C203 PolarHBondContact O-SG 3.29Å; I200-C203 VanDerWaalsContact O-SG 3.42Å; V201-C203 VanDerWaalsContact C-N 3.31Å; V201-C203 PolarHBondContact O-N 2.9Å
204T83.5Confident83.3Confident20 Ų2063 Ų6312%0.12335%0.35CS..SBendtrans-122.6112.7-178.6-46.60000110.4I200 L208 I209 L212I200-T204 WeakPolarHBondContact O-CA 3.31Å; I200-T204 WeakPolarHBondContact O-CB 3.37Å; I200-T204 PolarHBondContact O-N 3.11Å; I200-T204 PolarHBondContact O-OG1 3.38Å; T204-L208 HydrophobicContact CG2-CB 3.87Å; T204-I209 HydrophobicContact CG2-CG1 4.28Å; T204-L212 HydrophobicContact CG2-CD1 4.31Å; T204-L212 HydrophobicContact CG2-CD2 4.42Å; T204-L212 HydrophobicContact CG2-CG 4.49Å
205P82.6Confident83.8Confident38 Ų3864.5 Ų64.525%0.24736%0.362CS..  trans-64.8148.5175.526.3-32.4000110.9H207 L208 I209P205-H207 VanDerWaalsContact C-N 3.26Å; P205-H207 PolarHBondContact O-N 3.34Å; P205-H207 VanDerWaalsContact O-N 3.08Å; P205-L208 HydrophobicContact CG-CB 4.23Å; P205-L208 HydrophobicContact CG-CD1 3.61Å; P205-L208 HydrophobicContact CG-CG 3.87Å; P205-L208 WeakPolarHBondContact O-CA 3.43Å; P205-L208 WeakPolarHBondContact O-CB 3.45Å; P205-L208 PolarHBondContact O-N 2.85Å; P205-I209 PolarHBondContact O-N 3.06Å
206V80.5Confident84.1Confident25 Ų2565.9 Ų65.915%0.15237%0.374CS..G310 helixtrans-54.3-37-168.4163.70000114.9L208 I209 S226 M227 N232V206-L208 PolarHBondContact O-N 2.97Å; V206-I209 HydrophobicContact CB-CD1 4.32Å; V206-I209 HydrophobicContact CG2-CD1 4Å; V206-I209 WeakPolarHBondContact O-CB 3.26Å; V206-I209 PolarHBondContact O-N 2.78Å; V206-S226 VanDerWaalsContact CG2-CB 3.48Å; V206-S226 WeakPolarHBondContact CG2-OG 3.2Å; V206-M227 HydrophobicContact CG1-CE 3.88Å; V206-N232 WeakPolarHBondContact CG2-ND2 3.32Å; V206-N232 WeakPolarHBondContact CG2-OD1 3.48Å
207H82Confident84.2Confident114 Ų11468.1 Ų68.153%0.52839%0.386SS..G310 helixtrans-69.8-18.4179.263.8-88.1000113.1P205P205-H207 VanDerWaalsContact C-N 3.26Å; P205-H207 PolarHBondContact O-N 3.34Å; P205-H207 VanDerWaalsContact O-N 3.08Å
208L83.8Confident84.2Confident77 Ų7771.1 Ų71.140%0.40340%0.401SS..G310 helixtrans-92.5-9.8175.2-62.1-175000113.2T204 P205 V206 D210 K211T204-L208 HydrophobicContact CG2-CB 3.87Å; P205-L208 HydrophobicContact CG-CB 4.23Å; P205-L208 HydrophobicContact CG-CD1 3.61Å; P205-L208 HydrophobicContact CG-CG 3.87Å; P205-L208 WeakPolarHBondContact O-CA 3.43Å; P205-L208 WeakPolarHBondContact O-CB 3.45Å; P205-L208 PolarHBondContact O-N 2.85Å; V206-L208 PolarHBondContact O-N 2.97Å; L208-D210 PolarHBondContact O-N 2.74Å; L208-K211 WeakPolarHBondContact O-CB 3.17Å; L208-K211 PolarHBondContact O-N 3.06Å
209I85.1Confident84.4Confident0 Ų068.4 Ų68.40%039%0.392CS..G310 helixtrans-59.3-33.8177-63.2176000111V201 T204 P205 V206 K211 L212 K219 L222 K223V201-I209 HydrophobicContact CG2-CD1 4.42Å; T204-I209 HydrophobicContact CG2-CG1 4.28Å; P205-I209 PolarHBondContact O-N 3.06Å; V206-I209 HydrophobicContact CB-CD1 4.32Å; V206-I209 HydrophobicContact CG2-CD1 4Å; V206-I209 WeakPolarHBondContact O-CB 3.26Å; V206-I209 PolarHBondContact O-N 2.78Å; I209-K211 PolarHBondContact O-N 3.17Å; I209-L212 HydrophobicContact CG2-CD1 4.47Å; I209-L212 PolarHBondContact O-N 2.97Å; I209-K219 HydrophobicContact CG2-CB 4.34Å; I209-L222 HydrophobicContact CD1-CB 4.26Å; I209-L222 HydrophobicContact CG2-CB 3.86Å; I209-L222 HydrophobicContact CG2-CD1 4.19Å; I209-K223 HydrophobicContact CB-CG 4.4Å; I209-K223 HydrophobicContact CD1-CG 4.25Å; I209-K223 HydrophobicContact CG2-CG 4.12Å
210D83.9Confident84.5Confident80 Ų8068.7 Ų68.743%0.42839%0.391SS..G310 helixtrans-65.7-25.2177.5-71.8-44.2000113.7L208 K219 K223L208-D210 PolarHBondContact O-N 2.74Å; D210-K219 PolarHBondContact O-NZ 3.24Å; D210-K223 WeakPolarHBondContact OD1-CE 3.48Å; D210-K223 IonicContact OD1-NZ 2.64Å; D210-K223 PolarHBondContact OD1-NZ 2.94Å; D210-K223 VanDerWaalsContact OD2-CE 3.3Å; D210-K223 WeakPolarHBondContact OD2-CE 3.42Å; D210-K223 IonicContact OD2-NZ 2.66Å; D210-K223 PolarHBondContact OD2-NZ 3.16Å
211K86.2Confident84.4Confident176 Ų17670.2 Ų70.277%0.76540%0.397SS*.G310 helixtrans-85.9-9.9-178-61.6-66.2-174.9177.60113.3L208 I209L208-K211 WeakPolarHBondContact O-CB 3.17Å; L208-K211 PolarHBondContact O-N 3.06Å; I209-K211 PolarHBondContact O-N 3.17Å
212L85.9Confident84.4Confident39 Ų3969.8 Ų69.820%0.20439%0.394CS..SBendtrans-65.6144.6177.8-65173.7000110.9I200 T204 I209 L214 K219 L222I200-L212 HydrophobicContact CG2-CD1 3.75Å; T204-L212 HydrophobicContact CG2-CD1 4.31Å; T204-L212 HydrophobicContact CG2-CD2 4.42Å; T204-L212 HydrophobicContact CG2-CG 4.49Å; I209-L212 HydrophobicContact CG2-CD1 4.47Å; I209-L212 PolarHBondContact O-N 2.97Å; L212-L214 HydrophobicContact CB-CB 4.41Å; L212-L214 HydrophobicContact CB-CD1 3.96Å; L212-L214 HydrophobicContact CB-CG 4Å; L212-L214 HydrophobicContact CD1-CD1 3.86Å; L212-L214 PolarHBondContact O-N 3.17Å; L212-K219 WeakPolarHBondContact O-CE 3.08Å; L212-K219 PolarHBondContact O-NZ 3.13Å; L212-L222 HydrophobicContact CD1-CD1 4.29Å
213P88.1Confident84.6Confident129 Ų12969.6 Ų69.684%0.83838%0.384SS*.SBendtrans-78.456.3174.534.1-35.9000110.8
214L85.2Confident84.7Confident57 Ų5769.1 Ų69.130%0.29838%0.382SS..SBendtrans-120.3151.4-177.3-63.4175.5000111.3I200 L212 I218 K219 L222I200-L214 HydrophobicContact CD1-CD1 4.46Å; L212-L214 HydrophobicContact CB-CB 4.41Å; L212-L214 HydrophobicContact CB-CD1 3.96Å; L212-L214 HydrophobicContact CB-CG 4Å; L212-L214 HydrophobicContact CD1-CD1 3.86Å; L212-L214 PolarHBondContact O-N 3.17Å; L214-I218 HydrophobicContact CD1-CG2 4.19Å; L214-K219 HydrophobicContact CB-CG 4.21Å; L214-K219 WeakPolarHBondContact O-CE 3.29Å; L214-L222 HydrophobicContact CD1-CD1 3.86Å
215P88.7Confident84.7Confident75 Ų7569.3 Ų69.349%0.48738%0.381SS..  trans-53.6147.3171.2-25.933.1000113.2T217 I218 K219P215-T217 PolarHBondContact O-N 2.79Å; P215-I218 HydrophobicContact CB-CG1 4.39Å; P215-I218 HydrophobicContact CG-CD1 4.16Å; P215-I218 PolarHBondContact O-N 3.33Å; P215-K219 PolarHBondContact O-N 2.85Å; P215-K219 VanDerWaalsContact O-N 3.07Å
216V85.6Confident84.7Confident122 Ų12267.5 Ų67.574%0.73937%0.37SS*.Hα-helixtrans-57.6-36.3-176.8-176.20000112.1I218 K219 S220V216-I218 PolarHBondContact O-N 2.98Å; V216-K219 PolarHBondContact O-N 2.62Å; V216-S220 PolarHBondContact O-N 2.67Å; V216-S220 PolarHBondContact O-OG 3.15Å
217T84.1Confident84.5Confident106 Ų10672.2 Ų72.265%0.6539%0.391SS*.Hα-helixtrans-64.6-35.7176.9500000113.2P215 S220 H221P215-T217 PolarHBondContact O-N 2.79Å; T217-S220 PolarHBondContact O-OG 2.95Å; T217-H221 WeakPolarHBondContact O-CB 3.38Å; T217-H221 PolarHBondContact O-N 2.85Å
218I85.2Confident84Confident69 Ų6970.7 Ų70.735%0.35440%0.399SS..Hα-helixtrans-75.9-40177.1-60.4-176000109.8L214 P215 V216 H221 L222L214-I218 HydrophobicContact CD1-CG2 4.19Å; P215-I218 HydrophobicContact CB-CG1 4.39Å; P215-I218 HydrophobicContact CG-CD1 4.16Å; P215-I218 PolarHBondContact O-N 3.33Å; V216-I218 PolarHBondContact O-N 2.98Å; I218-H221 PolarHBondContact O-N 3.07Å; I218-L222 HydrophobicContact CG2-CD1 4.06Å; I218-L222 HydrophobicContact CG2-CG 4.34Å; I218-L222 WeakPolarHBondContact O-CB 3.13Å; I218-L222 VanDerWaalsContact O-CG 3.27Å; I218-L222 WeakPolarHBondContact O-CG 3.3Å; I218-L222 PolarHBondContact O-N 3Å
219K86.4Confident83.1Confident39 Ų3970.7 Ų70.717%0.1740%0.399CS..Hα-helixtrans-61.2-44.2175.4-69.5177.3173.11770112.6I209 D210 L212 L214 P215 V216 H221 L222 K223I209-K219 HydrophobicContact CG2-CB 4.34Å; D210-K219 PolarHBondContact O-NZ 3.24Å; L212-K219 WeakPolarHBondContact O-CE 3.08Å; L212-K219 PolarHBondContact O-NZ 3.13Å; L214-K219 HydrophobicContact CB-CG 4.21Å; L214-K219 WeakPolarHBondContact O-CE 3.29Å; P215-K219 PolarHBondContact O-N 2.85Å; P215-K219 VanDerWaalsContact O-N 3.07Å; V216-K219 PolarHBondContact O-N 2.62Å; K219-H221 VanDerWaalsContact C-N 3.31Å; K219-H221 PolarHBondContact O-N 3.36Å; K219-L222 PolarHBondContact O-N 3.48Å; K219-K223 WeakPolarHBondContact O-CG 3.41Å; K219-K223 PolarHBondContact O-N 3Å
220S85.3Confident81.8Confident63 Ų6373.3 Ų73.344%0.44143%0.426SS..Hα-helixtrans-63.3-40.6176.363.60000111V216 T217 K223 S224V216-S220 PolarHBondContact O-N 2.67Å; V216-S220 PolarHBondContact O-OG 3.15Å; T217-S220 PolarHBondContact O-OG 2.95Å; S220-K223 PolarHBondContact O-N 2.81Å; S220-S224 PolarHBondContact O-N 3.16Å; S220-S224 PolarHBondContact O-OG 2.79Å; S220-S224 VanDerWaalsContact O-OG 3.12Å
221H83.7Confident80.4Confident77 Ų7773 Ų7336%0.35642%0.423SS..Hα-helixtrans-64.3-43.6176.7-155.4-100.2000112.4T217 I218 K219 K223 S224 F225T217-H221 WeakPolarHBondContact O-CB 3.38Å; T217-H221 PolarHBondContact O-N 2.85Å; I218-H221 PolarHBondContact O-N 3.07Å; K219-H221 VanDerWaalsContact C-N 3.31Å; K219-H221 PolarHBondContact O-N 3.36Å; H221-K223 PolarHBondContact O-N 2.84Å; H221-S224 PolarHBondContact O-N 2.78Å; H221-F225 VanDerWaalsContact O-CB 3.25Å; H221-F225 WeakPolarHBondContact O-CB 3.46Å; H221-F225 PolarHBondContact O-N 3.13Å
222L86.9Confident78.5Confident0 Ų068.1 Ų68.10%041%0.406CS..Hα-helixtrans-61.5-40.9175.9-73.2169.7000112.5C197 I200 V201 I209 L212 L214 I218 K219 F225 S226C197-L222 HydrophobicContact CB-CD2 3.86Å; I200-L222 HydrophobicContact CB-CD2 3.99Å; I200-L222 HydrophobicContact CD1-CD1 4.29Å; I200-L222 HydrophobicContact CD1-CD2 4.18Å; I200-L222 HydrophobicContact CG2-CD1 3.93Å; I200-L222 HydrophobicContact CG2-CD2 4.04Å; V201-L222 HydrophobicContact CG2-CB 4.49Å; V201-L222 HydrophobicContact CG2-CD2 4.1Å; I209-L222 HydrophobicContact CD1-CB 4.26Å; I209-L222 HydrophobicContact CG2-CB 3.86Å; I209-L222 HydrophobicContact CG2-CD1 4.19Å; L212-L222 HydrophobicContact CD1-CD1 4.29Å; L214-L222 HydrophobicContact CD1-CD1 3.86Å; I218-L222 HydrophobicContact CG2-CD1 4.06Å; I218-L222 HydrophobicContact CG2-CG 4.34Å; I218-L222 WeakPolarHBondContact O-CB 3.13Å; I218-L222 VanDerWaalsContact O-CG 3.27Å; I218-L222 WeakPolarHBondContact O-CG 3.3Å; I218-L222 PolarHBondContact O-N 3Å; K219-L222 PolarHBondContact O-N 3.48Å; L222-F225 PolarHBondContact O-N 3.32Å; L222-S226 WeakPolarHBondContact O-CB 3.33Å; L222-S226 PolarHBondContact O-N 2.84Å
223K83.9Confident76.4Confident65 Ų6570.6 Ų70.628%0.28343%0.432SS..Hα-helixtrans-63.1-50.7175-78.2178.4167.5-178.40111.6I209 D210 K219 S220 H221 F225 S226 M227I209-K223 HydrophobicContact CB-CG 4.4Å; I209-K223 HydrophobicContact CD1-CG 4.25Å; I209-K223 HydrophobicContact CG2-CG 4.12Å; D210-K223 WeakPolarHBondContact OD1-CE 3.48Å; D210-K223 IonicContact OD1-NZ 2.64Å; D210-K223 PolarHBondContact OD1-NZ 2.94Å; D210-K223 VanDerWaalsContact OD2-CE 3.3Å; D210-K223 WeakPolarHBondContact OD2-CE 3.42Å; D210-K223 IonicContact OD2-NZ 2.66Å; D210-K223 PolarHBondContact OD2-NZ 3.16Å; K219-K223 WeakPolarHBondContact O-CG 3.41Å; K219-K223 PolarHBondContact O-N 3Å; S220-K223 PolarHBondContact O-N 2.81Å; H221-K223 PolarHBondContact O-N 2.84Å; K223-F225 VanDerWaalsContact C-N 3.28Å; K223-F225 PolarHBondContact O-N 3.49Å; K223-S226 PolarHBondContact O-N 3.41Å; K223-M227 WeakPolarHBondContact O-CG 3.42Å; K223-M227 PolarHBondContact O-N 3.34Å
224S82.7Confident74.5Confident80 Ų8070.5 Ų70.556%0.55943%0.428SS*.Hα-helixtrans-58.7-41.6176.8-62.10000111.7S220 H221 M227 A228S220-S224 PolarHBondContact O-N 3.16Å; S220-S224 PolarHBondContact O-OG 2.79Å; S220-S224 VanDerWaalsContact O-OG 3.12Å; H221-S224 PolarHBondContact O-N 2.78Å; S224-M227 PolarHBondContact O-N 3.17Å; S224-A228 WeakPolarHBondContact O-CB 3.44Å; S224-A228 PolarHBondContact O-N 3.12Å
225F83.1Confident72.4Confident24 Ų2473.2 Ų73.211%0.10544%0.441CS..Hα-helixtrans-63.9-42.8177.3-170-89.1000112.7C197 R198 V201 H221 L222 K223 A228 N229C197-F225 HydrophobicContact CB-CB 4.36Å; C197-F225 HydrophobicContact CB-CD1 3.85Å; C197-F225 HydrophobicContact CB-CD2 4.06Å; C197-F225 HydrophobicContact CB-CE1 4.14Å; C197-F225 HydrophobicContact CB-CE2 4.33Å; C197-F225 HydrophobicContact CB-CG 3.82Å; C197-F225 HydrophobicContact CB-CZ 4.37Å; R198-F225 HydrophobicContact CB-CE1 4.36Å; R198-F225 HydrophobicContact CG-CE1 3.52Å; R198-F225 HydrophobicContact CG-CZ 3.42Å; R198-F225 VanDerWaalsContact CG-CZ 3.42Å; V201-F225 HydrophobicContact CG2-CD1 4.39Å; H221-F225 VanDerWaalsContact O-CB 3.25Å; H221-F225 WeakPolarHBondContact O-CB 3.46Å; H221-F225 PolarHBondContact O-N 3.13Å; L222-F225 PolarHBondContact O-N 3.32Å; K223-F225 VanDerWaalsContact C-N 3.28Å; K223-F225 PolarHBondContact O-N 3.49Å; F225-A228 PolarHBondContact O-N 3.14Å; F225-N229 VanDerWaalsContact CE1-ND2 3.26Å; F225-N229 WeakPolarHBondContact CE1-ND2 3.13Å; F225-N229 WeakPolarHBondContact CZ-ND2 3.38Å; F225-N229 PolarHBondContact O-N 3.27Å
226S82.3Confident70.1Confident0 Ų076.7 Ų76.70%045%0.452CS..Hα-helixtrans-63.7-40.7177-176.40000112.8V201 V206 L222 K223 G230 N232V201-S226 WeakPolarHBondContact CG1-OG 3.35Å; V206-S226 VanDerWaalsContact CG2-CB 3.48Å; V206-S226 WeakPolarHBondContact CG2-OG 3.2Å; L222-S226 WeakPolarHBondContact O-CB 3.33Å; L222-S226 PolarHBondContact O-N 2.84Å; K223-S226 PolarHBondContact O-N 3.41Å; S226-G230 PolarHBondContact O-N 3.17Å; S226-N232 PolarHBondContact OG-ND2 3.3Å; S226-N232 PolarHBondContact OG-OD1 3.03Å
227M76.6Confident67.7Low124 Ų12478.6 Ų78.661%0.61145%0.453SS*.Hα-helixtrans-69.5-39.9177.6-65.2-58.8-178.300112.3V206 K223 S224 N229V206-M227 HydrophobicContact CG1-CE 3.88Å; K223-M227 WeakPolarHBondContact O-CG 3.42Å; K223-M227 PolarHBondContact O-N 3.34Å; S224-M227 PolarHBondContact O-N 3.17Å; M227-N229 PolarHBondContact O-N 3.26Å
228A72.4Confident65.3Low82 Ų8277.5 Ų77.568%0.67846%0.463SS*.Hα-helixtrans-69.3-29.8-179.600000113.8S224 F225S224-A228 WeakPolarHBondContact O-CB 3.44Å; S224-A228 PolarHBondContact O-N 3.12Å; F225-A228 PolarHBondContact O-N 3.14Å
229N64.7Low62.6Low77 Ų7784.2 Ų84.241%0.41248%0.484SS..THydrogen-bonded Turntrans-101.65.7-176.8-76.6-13.5000114.7F225 M227 M231F225-N229 VanDerWaalsContact CE1-ND2 3.26Å; F225-N229 WeakPolarHBondContact CE1-ND2 3.13Å; F225-N229 WeakPolarHBondContact CZ-ND2 3.38Å; F225-N229 PolarHBondContact O-N 3.27Å; M227-N229 PolarHBondContact O-N 3.26Å; N229-M231 HydrophobicContact CB-CG 4.15Å; N229-M231 HydrophobicContact CB-SD 4.45Å; N229-M231 PolarHBondContact O-N 3.32Å; N229-M231 VanDerWaalsContact O-N 3.1Å
230G56.8Low60.1Low56 Ų5688.4 Ų88.458%0.57752%0.518SS*.THydrogen-bonded Turntrans62.119.917300000115.4S226 N232S226-G230 PolarHBondContact O-N 3.17Å; G230-N232 PolarHBondContact O-N 3.29Å; G230-N232 VanDerWaalsContact O-N 3.13Å
231M55.1Low57.3Low74 Ų7493.9 Ų93.937%0.36553%0.53SS..G310 helixtrans-73.6-1.4-175.1-62.7-177.17700113.7V201 N229 A233V201-M231 HydrophobicContact CG1-CB 4.19Å; V201-M231 HydrophobicContact CG1-SD 4.1Å; N229-M231 HydrophobicContact CB-CG 4.15Å; N229-M231 HydrophobicContact CB-SD 4.45Å; N229-M231 PolarHBondContact O-N 3.32Å; N229-M231 VanDerWaalsContact O-N 3.1Å; M231-A233 VanDerWaalsContact C-N 3.31Å; M231-A233 PolarHBondContact O-N 3.18Å
232N45.9Very low54.7Low73 Ų7395.6 Ų95.639%0.3955%0.551SS.*G310 helixtrans-78.8-4-177.1-75.8-54.7000115.3V206 S226 G230V206-N232 WeakPolarHBondContact CG2-ND2 3.32Å; V206-N232 WeakPolarHBondContact CG2-OD1 3.48Å; S226-N232 PolarHBondContact OG-ND2 3.3Å; S226-N232 PolarHBondContact OG-OD1 3.03Å; G230-N232 PolarHBondContact O-N 3.29Å; G230-N232 VanDerWaalsContact O-N 3.13Å
233A42.8Very low52Low91 Ų91104.5 Ų104.575%0.75260%0.597SS**G310 helixtrans-88.2-6.8-176.700000115M231M231-A233 VanDerWaalsContact C-N 3.31Å; M231-A233 PolarHBondContact O-N 3.18Å
234V46.5Very low49.4Very low126 Ų126105.5 Ų105.576%0.76462%0.618SS**SBendtrans-97.7-12-164.9-177.60000114.9
235M42.7Very low47.2Very low115 Ų115107.8 Ų107.857%0.56763%0.634SS**SBendtrans-123.133.2-174.8-73.2-157.1-8200115.6
236M40.3Very low44.7Very low147 Ų147111.9 Ų111.972%0.72467%0.665SS**SBendtrans-136.768.6165.9-68.7-66.4176.800110.2
237H33.8Very low42.2Very low162 Ų162115.8 Ų115.875%0.7571%0.706SS**  trans179106.6139.9-93.2-50.7000109.5R239H237-R239 VanDerWaalsContact C-N 3.27Å; H237-R239 PolarHBondContact O-N 2.82Å
238G34.3Very low39.9Very low84 Ų84113.9 Ų113.987%0.86672%0.718SS**  trans-6693.215500000108.3
239R28.1Very low37.8Very low209 Ų209113.8 Ų113.879%0.78973%0.725SS**  trans-166.9119.9156.8-106.1170.8-169.8-163.12.2108.4H237 Y241H237-R239 VanDerWaalsContact C-N 3.27Å; H237-R239 PolarHBondContact O-N 2.82Å; R239-Y241 HydrophobicContact CB-CD1 4.42Å; R239-Y241 HydrophobicContact CB-CE1 4.15Å; R239-Y241 PolarHBondContact O-N 3.4Å
240S34.8Very low36.2Very low127 Ų127116 Ų11689%0.88875%0.746SS**  trans-54.3122.4170.4-50.10000110.4
241Y26.3Very low34.9Very low179 Ų179119.2 Ų119.270%0.70276%0.76SS**  trans-158.6140.814942.2-94000111.5R239R239-Y241 HydrophobicContact CB-CD1 4.42Å; R239-Y241 HydrophobicContact CB-CE1 4.15Å; R239-Y241 PolarHBondContact O-N 3.4Å
242S28.9Very low33.7Very low113 Ų113121.6 Ų121.679%0.7978%0.784SS**  trans-44.8137.8178.2-35.10000113.8A244S242-A244 PolarHBondContact O-N 2.69Å
243L29.9Very low32.9Very low186 Ų186128.6 Ų128.697%0.97481%0.811SS**  trans-67.996.2166.6-91.4120.3000109.8
244A28.7Very low32.2Very low87 Ų87128 Ų12872%0.71981%0.814SS**  trans-84.4127.6154.600000108.7S242S242-A244 PolarHBondContact O-N 2.69Å
245S37.3Very low31.3Very low127 Ų127129.9 Ų129.989%0.88882%0.82SS**  trans-69.5120.3167.4147.90000110
246S29.9Very low30.7Very low110 Ų110129.1 Ų129.177%0.76983%0.826SS**  trans-148.2128.815550.30000106.7
247G30.5Very low30.3Very low82 Ų82129.7 Ų129.785%0.84583%0.831SS**  cis89.783.143.200000107.7
248G27.2Very low30.2Very low84 Ų84131.5 Ų131.587%0.86684%0.836SS**  trans-134.289.5-179.700000110.9
249G28.3Very low30.1Very low81 Ų81139.5 Ų139.584%0.83584%0.84SS**PPolyproline II helixtrans-82.1143.1168.600000111.5
250S31Very low30.2Very low122 Ų122134.4 Ų134.485%0.85384%0.837SS**PPolyproline II helixtrans-72.6134.1169.849.10000111.6
251S29.5Very low30.2Very low124 Ų124138.3 Ų138.387%0.86784%0.838SS**PPolyproline II helixtrans-86.9131.2175.135.20000112
252S30.5Very low30.4Very low125 Ų125135.3 Ų135.387%0.87484%0.843SS**  trans-142.8139.9154.657.50000109.9
253K30.1Very low30.6Very low220 Ų220137.4 Ų137.496%0.95784%0.844SS**  trans-76.9149.4-169.5-75.9172.3169.8174.80112.6
254G27.5Very low30.9Very low78 Ų78140 Ų14080%0.80484%0.841SS**  trans173.485.5162.600000115.9
255N27.8Very low31.2Very low165 Ų165141 Ų14188%0.88284%0.84SS**  trans32.2125.6149.1-912.8000123.9
256S29.5Very low31.2Very low100 Ų100141.1 Ų141.170%0.69984%0.838SS**  102.7127.3125.6-133.50000121.3
257L31.5Very low31.6Very low158 Ų158145 Ų14583%0.82784%0.844SS**  trans83.7102.9147.5-69.4151000121.3
258K32.9Very low32Very low200 Ų200146.1 Ų146.187%0.8784%0.839SS**  trans-22.6134.6154.3-64.4170.8176176.60117.4
259R31.1Very low32.9Very low252 Ų252148 Ų14895%0.95184%0.835SS**  -166.1140.2116-121.5175.6174-174.3-1.2112.4
260S31Very low33.5Very low102 Ų102150.1 Ų150.171%0.71384%0.835SS**  trans-79149.7-177.647.80000113.4
261K33.8Very low33.7Very low209 Ų209153.2 Ų153.291%0.90984%0.836SS**  -178.8155.9122.4-97171.1-175.8-174.80113.4
262S31.6Very low34Very low116 Ų116155.3 Ų155.381%0.81184%0.837SS**  trans-61.3156.2-163.753.90000119.6
263I32.8Very low34Very low158 Ų158155.1 Ų155.181%0.8184%0.835SS**  trans-71.7142.9170.4-65.7157.3000113.2
264R35.4Very low34.3Very low239 Ų239150.3 Ų150.390%0.90283%0.829SS**  trans-161.3150.3133.2-111.7-173.4-101.7-119.40.2112.8
265P35.9Very low34.7Very low109 Ų109157.7 Ų157.771%0.70883%0.832SS**  trans-93.8177.7-164.740.9-36.2000113.9
266P36.7Very low35.2Very low129 Ų129157.6 Ų157.684%0.83883%0.832SS**  trans-88.5149.4-152.835.6-32.7000113.9
267Q38.6Very low35.5Very low191 Ų191159.8 Ų159.889%0.89384%0.836SS**  trans-107.6142.9169.1-72.5-169.5-20.100111
268S40.3Very low35.7Very low107 Ų107158.6 Ų158.675%0.74884%0.839SS**PPolyproline II helixtrans-55.3159.517936.30000115.5
269P44.1Very low35.8Very low122 Ų122157.7 Ų157.779%0.79284%0.835SS**PPolyproline II helixtrans-76.9148-17330.2-33.4000113.1
270P41.8Very low36.1Very low127 Ų127152.5 Ų152.583%0.82583%0.825SS**PPolyproline II helixtrans-82.9134.9176.331.2-30.3000112.1
271Q36Very low36.9Very low186 Ų186156.7 Ų156.787%0.86985%0.854SS**PPolyproline II helixtrans-65.3136.7156.1-72.4-178.1-31.600109.4
272N34.9Very low37Very low168 Ų168154.1 Ų154.190%0.89885%0.851SS**  trans-145.2122.2150.3-122.8-5.4000110.8
273C30.6Very low37.3Very low122 Ų122156.1 Ų156.182%0.82485%0.853SS**  trans-75.8140.4171.4-68.30000110.2
274S36Very low37.5Very low118 Ų118156 Ų15683%0.82586%0.856SS**  trans-146112.5145.456.30000109.5
275R35.8Very low37.7Very low234 Ų234151.1 Ų151.188%0.88385%0.853SS**  trans-51142.3164.4-81.5171.3162.9161.6-5.7110.5
276N38.4Very low37.8Very low162 Ų162153.8 Ų153.887%0.86686%0.862SS**  -159.1141.2122.4-94.8-18.6000111.9
277N36.8Very low37.8Very low147 Ų147155.4 Ų155.479%0.78686%0.864SS**  trans-60.5152.7-175.2-69.5-34000114.1
278C35.2Very low37.8Very low133 Ų133152.9 Ų152.990%0.89986%0.862SS**  -179156.6104.7-99.60000113.6
279K35.6Very low37.6Very low181 Ų181156.4 Ų156.479%0.78787%0.871SS**  trans-76.7151.6-163.4-87.1171.5166.1177.20115.8
280I37.4Very low37.1Very low143 Ų143159.3 Ų159.373%0.73388%0.877SS**  54.2115.7129.6-53.2166.5000117.9
281S46Very low36.6Very low190 Ų190162.2 Ų162.2100%1.32988%0.882SS**  -162.10107.5-96.50000110.2

Retrieved 281 of 281 residues in 225.2 ms (Link to these results)

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