A0A077ZAG3_TRITR Loading...

Trafficking protein particle complex subunit

Core component of the TRAPP complexes which has a function of guanine nucleotide exchange factor activity for Rab1 GTPase. Plays a role in vesicular transport from endoplasmic reticulum to Golgi and autophagy. May play a role in dendrite postsynaptic membrane trafficking.

AlphaFold DB , UniProt , Accession A0A077ZAG3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 228 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
1M70.8Confident89.4Confident130 Ų13044.4 Ų44.464%0.6420%0.195SC*.  091.30-64.5-176.8-172.600107.3
2T81.5Confident89.6Confident43 Ų4347.2 Ų47.226%0.26423%0.232SC..  trans-131.9133.7-176.347.50000109.2Y4 G170 D171 E221T2-Y4 WeakPolarHBondContact OG1-CE1 3.2Å; T2-G170 WeakPolarHBondContact O-CA 3.27Å; T2-D171 PolarHBondContact O-N 3.46Å; T2-D171 VanDerWaalsContact O-N 3.11Å; T2-E221 VanDerWaalsContact CA-OE1 3.32Å; T2-E221 WeakPolarHBondContact CA-OE1 3.23Å
3V86.6Confident89.7Confident2 Ų243.8 Ų43.81%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-86.9119.1167.3-179.10000105.8C21 V169 L177 L180 V217 F220 E221V3-C21 WeakPolarHBondContact O-CB 3.29Å; V3-V169 CarbonylContact C-O 3.59Å; V3-L177 HydrophobicContact CG2-CD2 4.15Å; V3-L180 HydrophobicContact CG1-CD2 4.34Å; V3-L180 HydrophobicContact CG2-CD2 4.04Å; V3-V217 HydrophobicContact CB-CG1 4.02Å; V3-V217 HydrophobicContact CG2-CG1 4.41Å; V3-F220 HydrophobicContact CG2-CD1 3.94Å; V3-F220 HydrophobicContact CG2-CE1 4.32Å; V3-E221 HydrophobicContact CG2-CG 4.48Å; V3-E221 PolarHBondContact N-OE1 3.35Å
4Y89.2Confident89.9Confident48 Ų4842.6 Ų42.619%0.18822%0.221CC..EExtended strand (participates in β ladder)trans-81.6-46.4-177.8-57.9-46.2000112T2 C21 C22 P23 V169 D171T2-Y4 WeakPolarHBondContact OG1-CE1 3.2Å; Y4-C21 PolarHBondContact O-N 3.46Å; Y4-C22 PolarHBondContact O-N 3.3Å; Y4-C22 VanDerWaalsContact O-N 3.14Å; Y4-P23 HydrophobicContact CE1-CG 4.38Å; Y4-V169 HydrophobicContact CD2-CG1 4.28Å; Y4-V169 PolarHBondContact N-O 3.35Å; Y4-D171 HydrophobicContact CE2-CB 4.46Å
5Y92.2Very high90.2Very high42 Ų4241.6 Ų41.617%0.16522%0.216CC..EExtended strand (participates in β ladder)trans-144.7144.9-175-58.2-79.7000111.3F7 Y19 D20 C22 A168 V169Y5-F7 AromaticContact CD1-CZ 3.99Å; Y5-F7 HydrophobicContact CD1-CZ 3.99Å; Y5-F7 HydrophobicContact CG-CE2 4.06Å; Y5-F7 AromaticContact CG-CZ 3.93Å; Y5-F7 HydrophobicContact CG-CZ 3.93Å; Y5-Y19 CarbonylContact C-O 3.5Å; Y5-Y19 WeakPolarHBondContact CA-O 3.5Å; Y5-D20 HydrophobicContact CD1-CB 4.13Å; Y5-D20 WeakPolarHBondContact CD1-OD1 3.47Å; Y5-D20 HydrophobicContact CE1-CB 4.14Å; Y5-C22 HydrophobicContact CE1-CB 4.22Å; Y5-C22 HydrophobicContact CE2-CB 4.29Å; Y5-A168 CarbonylContact O-C 3.56Å; Y5-A168 WeakPolarHBondContact O-CA 3.25Å; Y5-V169 HydrophobicContact CD2-CB 4.34Å; Y5-V169 PolarHBondContact N-O 3.36Å; Y5-V169 PolarHBondContact O-N 3.31Å
6T93.3Very high90.4Very high3 Ų339.2 Ų39.22%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-127.7128169.5-59.90000108.7E18 Y19 L167 L184T6-E18 CarbonylContact O-C 3.54Å; T6-E18 WeakPolarHBondContact O-CA 3.37Å; T6-Y19 PolarHBondContact N-O 3.48Å; T6-Y19 PolarHBondContact O-N 3.43Å; T6-L167 CarbonylContact C-O 3.57Å; T6-L167 WeakPolarHBondContact CA-O 3.24Å; T6-L184 HydrophobicContact CG2-CD1 4.45Å; T6-L184 HydrophobicContact CG2-CD2 3.32Å
7F94.6Very high90.6Very high21 Ų2137.9 Ų37.99%0.09220%0.196CC..EExtended strand (participates in β ladder)trans-126.9144.3179.9-55.5-75.3000110.7Y5 L15 Y17 E18 K119 L167 V169Y5-F7 AromaticContact CD1-CZ 3.99Å; Y5-F7 HydrophobicContact CD1-CZ 3.99Å; Y5-F7 HydrophobicContact CG-CE2 4.06Å; Y5-F7 AromaticContact CG-CZ 3.93Å; Y5-F7 HydrophobicContact CG-CZ 3.93Å; F7-L15 HydrophobicContact CB-CD1 4.05Å; F7-L15 HydrophobicContact CD1-CD1 3.87Å; F7-L15 HydrophobicContact CG-CD1 4.41Å; F7-Y17 WeakPolarHBondContact CA-O 3.17Å; F7-E18 HydrophobicContact CD1-CB 3.92Å; F7-E18 HydrophobicContact CE1-CB 4.09Å; F7-K119 HydrophobicContact CE1-CB 4.29Å; F7-K119 HydrophobicContact CE1-CD 4.14Å; F7-K119 HydrophobicContact CE1-CG 4.17Å; F7-L167 HydrophobicContact CB-CB 4.24Å; F7-L167 PolarHBondContact N-O 3.42Å; F7-L167 PolarHBondContact O-N 3.48Å; F7-V169 HydrophobicContact CE2-CG2 4.48Å
8I94.9Very high90.7Very high0 Ų038.6 Ų38.60%020%0.198CC..EExtended strand (participates in β ladder)trans-119.5122.5168.7-49.8179000107.7I16 Y17 K165 F166 L184 I204 F209I8-I16 HydrophobicContact CB-CD1 4.33Å; I8-I16 HydrophobicContact CB-CG1 3.83Å; I8-I16 HydrophobicContact CG2-CD1 3.58Å; I8-I16 HydrophobicContact CG2-CG1 3.62Å; I8-I16 VanDerWaalsContact O-CG1 3.22Å; I8-I16 WeakPolarHBondContact O-CG1 3.16Å; I8-I16 PolarHBondContact O-N 3.27Å; I8-Y17 HydrophobicContact CD1-CD1 3.92Å; I8-Y17 HydrophobicContact CD1-CG 4.26Å; I8-Y17 HydrophobicContact CG1-CD1 4.11Å; I8-Y17 PolarHBondContact N-O 2.89Å; I8-Y17 PolarHBondContact O-N 3.02Å; I8-K165 WeakPolarHBondContact CA-O 3.2Å; I8-F166 HydrophobicContact CB-CD1 4.5Å; I8-F166 HydrophobicContact CD1-CD1 4.05Å; I8-F166 HydrophobicContact CD1-CE1 3.9Å; I8-F166 HydrophobicContact CG1-CD1 3.88Å; I8-F166 HydrophobicContact CG1-CE1 4.14Å; I8-F166 HydrophobicContact CG2-CD1 3.99Å; I8-F166 HydrophobicContact CG2-CE1 3.77Å; I8-F166 HydrophobicContact CG2-CZ 4.31Å; I8-L184 HydrophobicContact CD1-CD1 4.27Å; I8-L184 HydrophobicContact CD1-CD2 4.3Å; I8-L184 HydrophobicContact CD1-CG 4.18Å; I8-L184 HydrophobicContact CG1-CD2 4.16Å; I8-I204 HydrophobicContact CD1-CD1 4.36Å; I8-F209 HydrophobicContact CD1-CE1 4.11Å; I8-F209 HydrophobicContact CD1-CZ 3.65Å
9I95Very high90.7Very high0 Ų038.3 Ų38.30%019%0.194CC..EExtended strand (participates in β ladder)trans-114.8129.7-177.4-51.3177.1000107.9G14 F126 N164 K165 L167I9-G14 CarbonylContact C-O 3.58Å; I9-G14 WeakPolarHBondContact CA-O 3.43Å; I9-G14 WeakPolarHBondContact CG2-O 3.38Å; I9-F126 HydrophobicContact CD1-CD1 4.17Å; I9-N164 WeakPolarHBondContact O-CA 3.22Å; I9-K165 HydrophobicContact CB-CB 4.32Å; I9-K165 PolarHBondContact N-O 2.66Å; I9-K165 PolarHBondContact O-N 3.48Å; I9-L167 HydrophobicContact CD1-CD1 3.57Å; I9-L167 HydrophobicContact CD1-CD2 4.07Å; I9-L167 HydrophobicContact CD1-CG 4.48Å; I9-L167 HydrophobicContact CG1-CD1 3.98Å
10N93.1Very high90.7Very high7 Ų739.9 Ų39.94%0.03720%0.203CC..  trans-70.1175.7176.7731000111.8A12 G13 G14 I16 D201N10-A12 PolarHBondContact O-N 2.95Å; N10-A12 WeakPolarHBondContact OD1-CA 3.37Å; N10-A12 PolarHBondContact OD1-N 3.2Å; N10-G13 PolarHBondContact O-N 2.78Å; N10-G13 VanDerWaalsContact O-N 3.17Å; N10-G13 PolarHBondContact OD1-N 3.35Å; N10-G14 PolarHBondContact N-O 3.05Å; N10-G14 WeakPolarHBondContact OD1-CA 3.32Å; N10-G14 PolarHBondContact OD1-N 3.12Å; N10-G14 PolarHBondContact OD1-O 3.1Å; N10-I16 HydrophobicContact CB-CG2 3.85Å; N10-D201 PolarHBondContact ND2-OD1 3.05Å
11R92.1Very high90.2Very high192 Ų19239.7 Ų39.773%0.72521%0.205SC*.THydrogen-bonded Turntrans-59.2-25.6174.5-176.9176.4174.7-177.8-0.6113.6H127R11-H127 PolarHBondContact O-CE1 3.1Å
12A91.7Very high90.4Very high78 Ų7836.2 Ų36.265%0.64519%0.193SC*.THydrogen-bonded Turntrans-87-5.9179.700000114.2N10N10-A12 PolarHBondContact O-N 2.95Å; N10-A12 WeakPolarHBondContact OD1-CA 3.37Å; N10-A12 PolarHBondContact OD1-N 3.2Å
13G91.2Very high89.8Confident3 Ų337.8 Ų37.83%0.03120%0.204CC..SBendtrans87.710-176.200000115N10 S124 H127N10-G13 PolarHBondContact O-N 2.78Å; N10-G13 VanDerWaalsContact O-N 3.17Å; N10-G13 PolarHBondContact OD1-N 3.35Å; G13-S124 WeakPolarHBondContact O-CA 3.4Å; G13-S124 PolarHBondContact O-OG 2.8Å; G13-H127 VanDerWaalsContact CA-CG 3.45Å; G13-H127 WeakPolarHBondContact CA-ND1 3.33Å; G13-H127 PolarHBondContact N-ND1 3.45Å
14G93Very high88.8Confident27 Ų2747.8 Ų47.828%0.27824%0.242SC..  trans-82.6140.4170.400000112I9 N10 I16I9-G14 CarbonylContact C-O 3.58Å; I9-G14 WeakPolarHBondContact CA-O 3.43Å; I9-G14 WeakPolarHBondContact CG2-O 3.38Å; N10-G14 PolarHBondContact N-O 3.05Å; N10-G14 WeakPolarHBondContact OD1-CA 3.32Å; N10-G14 PolarHBondContact OD1-N 3.12Å; N10-G14 PolarHBondContact OD1-O 3.1Å; G14-I16 PolarHBondContact O-N 3.14Å
15L93.7Very high87.7Confident28 Ų2847 Ų4715%0.14725%0.245CC..EExtended strand (participates in β ladder)trans-76.6117.1174.5-179.960.7000109.6F7 Y17 E18 K119 I120F7-L15 HydrophobicContact CB-CD1 4.05Å; F7-L15 HydrophobicContact CD1-CD1 3.87Å; F7-L15 HydrophobicContact CG-CD1 4.41Å; L15-Y17 WeakPolarHBondContact CD1-O 3.35Å; L15-E18 HydrophobicContact CD1-CB 4.45Å; L15-E18 HydrophobicContact CD2-CB 4.28Å; L15-E18 VanDerWaalsContact CD2-OE2 3.27Å; L15-E18 WeakPolarHBondContact CD2-OE2 3.28Å; L15-K119 HydrophobicContact CD2-CB 3.84Å; L15-I120 HydrophobicContact CB-CG1 4.27Å; L15-I120 HydrophobicContact CD2-CG1 4.09Å
16I93Very high86.6Confident3 Ų350.2 Ų50.22%0.01527%0.271CS..EExtended strand (participates in β ladder)trans-103.6-20.8179.760.4171.8000113I8 N10 G14 Y188 P203 I204I8-I16 HydrophobicContact CB-CD1 4.33Å; I8-I16 HydrophobicContact CB-CG1 3.83Å; I8-I16 HydrophobicContact CG2-CD1 3.58Å; I8-I16 HydrophobicContact CG2-CG1 3.62Å; I8-I16 VanDerWaalsContact O-CG1 3.22Å; I8-I16 WeakPolarHBondContact O-CG1 3.16Å; I8-I16 PolarHBondContact O-N 3.27Å; N10-I16 HydrophobicContact CB-CG2 3.85Å; G14-I16 PolarHBondContact O-N 3.14Å; I16-Y188 HydrophobicContact CD1-CE2 3.81Å; I16-P203 CarbonylContact O-C 3.56Å; I16-P203 WeakPolarHBondContact O-CA 3.41Å; I16-I204 HydrophobicContact CD1-CD1 4.4Å; I16-I204 PolarHBondContact O-N 2.99Å
17Y94Very high85.9Confident17 Ų1753.7 Ų53.77%0.06729%0.29CS..EExtended strand (participates in β ladder)trans-155.8141174179.8-99.1000110.6F7 I8 L15 I204 F209 D210 V213F7-Y17 WeakPolarHBondContact CA-O 3.17Å; I8-Y17 HydrophobicContact CD1-CD1 3.92Å; I8-Y17 HydrophobicContact CD1-CG 4.26Å; I8-Y17 HydrophobicContact CG1-CD1 4.11Å; I8-Y17 PolarHBondContact N-O 2.89Å; I8-Y17 PolarHBondContact O-N 3.02Å; L15-Y17 WeakPolarHBondContact CD1-O 3.35Å; Y17-I204 HydrophobicContact CD2-CB 4.4Å; Y17-F209 AromaticContact CD1-CE1 3.75Å; Y17-F209 HydrophobicContact CD1-CE1 3.75Å; Y17-F209 HydrophobicContact CD1-CZ 4.47Å; Y17-F209 AromaticContact CD2-CD1 3.91Å; Y17-F209 HydrophobicContact CD2-CD1 3.91Å; Y17-F209 AromaticContact CD2-CE1 3.62Å; Y17-F209 HydrophobicContact CD2-CE1 3.62Å; Y17-F209 AromaticContact CE1-CE1 3.8Å; Y17-F209 HydrophobicContact CE1-CE1 3.8Å; Y17-F209 AromaticContact CE2-CD1 3.75Å; Y17-F209 HydrophobicContact CE2-CD1 3.75Å; Y17-F209 AromaticContact CE2-CE1 3.7Å; Y17-F209 HydrophobicContact CE2-CE1 3.7Å; Y17-F209 HydrophobicContact CG-CD1 4.39Å; Y17-F209 AromaticContact CG-CE1 3.64Å; Y17-F209 HydrophobicContact CG-CE1 3.64Å; Y17-F209 AromaticContact CZ-CE1 3.79Å; Y17-D210 PolarHBondContact OH-OD1 3.06Å; Y17-V213 HydrophobicContact CE1-CB 4.37Å; Y17-V213 HydrophobicContact CE1-CG1 4.02Å; Y17-V213 HydrophobicContact CE1-CG2 4.13Å
18E92.8Very high85.4Confident51 Ų5154.1 Ų54.124%0.23829%0.294CS..EExtended strand (participates in β ladder)trans-132.5141.4175.461.4-179.7-132.300109.4T6 F7 L15 K119T6-E18 CarbonylContact O-C 3.54Å; T6-E18 WeakPolarHBondContact O-CA 3.37Å; F7-E18 HydrophobicContact CD1-CB 3.92Å; F7-E18 HydrophobicContact CE1-CB 4.09Å; L15-E18 HydrophobicContact CD1-CB 4.45Å; L15-E18 HydrophobicContact CD2-CB 4.28Å; L15-E18 VanDerWaalsContact CD2-OE2 3.27Å; L15-E18 WeakPolarHBondContact CD2-OE2 3.28Å; E18-K119 HydrophobicContact CB-CD 4.48Å; E18-K119 VanDerWaalsContact CD-NZ 3.35Å; E18-K119 HydrophobicContact CG-CD 4.49Å; E18-K119 WeakPolarHBondContact OE1-CD 3.3Å; E18-K119 IonicContact OE1-NZ 3.83Å; E18-K119 PolarHBondContact OE1-NZ 3.09Å; E18-K119 WeakPolarHBondContact OE2-CD 3.43Å; E18-K119 IonicContact OE2-NZ 2.81Å
19Y91.7Very high84.8Confident33 Ų3359.3 Ų59.313%0.12932%0.318CS..EExtended strand (participates in β ladder)trans-140.9127.1172.8-179.1-108.3000109.4Y5 T6 C21 V213 Q214 V217Y5-Y19 CarbonylContact C-O 3.5Å; Y5-Y19 WeakPolarHBondContact CA-O 3.5Å; T6-Y19 PolarHBondContact N-O 3.48Å; T6-Y19 PolarHBondContact O-N 3.43Å; Y19-C21 HydrophobicContact CE1-CB 4.46Å; Y19-C21 WeakPolarHBondContact CE1-SG 3.27Å; Y19-C21 PolarHBondContact OH-SG 2.99Å; Y19-V213 HydrophobicContact CD1-CG1 4.15Å; Y19-V213 HydrophobicContact CG-CG1 4.2Å; Y19-Q214 HydrophobicContact CE2-CB 4.18Å; Y19-Q214 WeakPolarHBondContact OH-CG 3.2Å; Y19-V217 HydrophobicContact CD1-CG2 4.12Å; Y19-V217 HydrophobicContact CE1-CB 4.06Å; Y19-V217 HydrophobicContact CE1-CG1 4.2Å; Y19-V217 HydrophobicContact CE1-CG2 3.93Å
20D89Confident84.3Confident69 Ų6959.6 Ų59.637%0.36932%0.32SS..EExtended strand (participates in β ladder)trans-115.1120.7-174.3-65.87.8000110Y5 K119Y5-D20 HydrophobicContact CD1-CB 4.13Å; Y5-D20 WeakPolarHBondContact CD1-OD1 3.47Å; Y5-D20 HydrophobicContact CE1-CB 4.14Å; D20-K119 WeakPolarHBondContact OD1-CE 3.44Å; D20-K119 IonicContact OD1-NZ 2.59Å; D20-K119 PolarHBondContact OD1-NZ 3.19Å; D20-K119 WeakPolarHBondContact OD2-CE 3.42Å; D20-K119 IonicContact OD2-NZ 3.61Å; D20-K119 PolarHBondContact OD2-NZ 3.14Å
21C81.5Confident83.8Confident37 Ų3763 Ų6325%0.2534%0.344CS..  trans-116.813172.7-87.70000112.4V3 Y4 Y19 P23V3-C21 WeakPolarHBondContact O-CB 3.29Å; Y4-C21 PolarHBondContact O-N 3.46Å; Y19-C21 HydrophobicContact CE1-CB 4.46Å; Y19-C21 WeakPolarHBondContact CE1-SG 3.27Å; Y19-C21 PolarHBondContact OH-SG 2.99Å; C21-P23 WeakPolarHBondContact O-CD 3.4Å; C21-P23 VanDerWaalsContact O-N 3.14Å
22C74.4Confident83.4Confident56 Ų5654 Ų5438%0.37831%0.31SS..PPolyproline II helixtrans-58.6121.6-175.6-167.60000110.5Y4 Y5 R24Y4-C22 PolarHBondContact O-N 3.3Å; Y4-C22 VanDerWaalsContact O-N 3.14Å; Y5-C22 HydrophobicContact CE1-CB 4.22Å; Y5-C22 HydrophobicContact CE2-CB 4.29Å; C22-R24 PolarHBondContact O-N 3.45Å
23P67.9Low83.1Confident77 Ų7755.9 Ų55.950%0.531%0.309SS..PPolyproline II helixtrans-61.8130.617525.2-31.7000108.4Y4 C21 A25Y4-P23 HydrophobicContact CE1-CG 4.38Å; C21-P23 WeakPolarHBondContact O-CD 3.4Å; C21-P23 VanDerWaalsContact O-N 3.14Å; P23-A25 PolarHBondContact O-N 2.9Å
24R65.7Low82.6Confident212 Ų21261 Ų6180%0.833%0.329SS*.PPolyproline II helixtrans-61117.1174.4-68.9-173.7-178.7177.50.7107.9C22 W110C22-R24 PolarHBondContact O-N 3.45Å; R24-W110 HydrophobicContact CG-CZ2 4.17Å
25A67.6Low82Confident32 Ų3263.9 Ų63.926%0.26434%0.342SS..PPolyproline II helixtrans-57.9141.4171.800000108.9P23 D27 R111P23-A25 PolarHBondContact O-N 2.9Å; A25-D27 PolarHBondContact O-N 3.15Å; A25-R111 HydrophobicContact CB-CB 4.48Å
26P69.3Low81.3Confident109 Ų10964 Ų6471%0.70834%0.343SS*.PPolyproline II helixtrans-59.9136.7178.325.7-33.5000109.7V28P26-V28 PolarHBondContact O-N 3.07Å
27D78.7Confident80.7Confident76 Ų7669 Ų6941%0.40637%0.37SS..PPolyproline II helixtrans-66.9134.1174.8-56.4-29.2000109A25 K108A25-D27 PolarHBondContact O-N 3.15Å; D27-K108 HydrophobicContact CB-CD 4.14Å; D27-K108 HydrophobicContact CB-CG 3.97Å; D27-K108 VanDerWaalsContact CG-CE 3.46Å; D27-K108 WeakPolarHBondContact OD2-CE 3.48Å; D27-K108 IonicContact OD2-NZ 3.36Å
28V82.3Confident80.2Confident30 Ų3068.8 Ų68.818%0.18237%0.369CS..EExtended strand (participates in β ladder)trans-106.9109.5-179.2-175.20000108.3P26 I30 V57 K108 F109P26-V28 PolarHBondContact O-N 3.07Å; V28-I30 HydrophobicContact CG1-CD1 3.88Å; V28-I30 HydrophobicContact CG1-CG1 3.87Å; V28-V57 HydrophobicContact CB-CG2 4.01Å; V28-V57 HydrophobicContact CG1-CG2 3.79Å; V28-K108 WeakPolarHBondContact O-CA 3.3Å; V28-F109 PolarHBondContact N-O 2.83Å; V28-F109 PolarHBondContact O-N 2.81Å
29E83.5Confident79.8Confident108 Ų10871.8 Ų71.851%0.50538%0.382SS..EExtended strand (participates in β ladder)trans-94.8121.3176.1-68.3177.6-169.600109.5L106 K108E29-L106 HydrophobicContact CB-CD2 4.46Å; E29-K108 HydrophobicContact CG-CB 3.93Å; E29-K108 HydrophobicContact CG-CD 3.84Å; E29-K108 HydrophobicContact CG-CG 3.61Å; E29-K108 WeakPolarHBondContact OE1-CD 3.24Å; E29-K108 WeakPolarHBondContact OE1-CE 3.35Å; E29-K108 IonicContact OE1-NZ 3.7Å; E29-K108 PolarHBondContact OE1-NZ 2.85Å
30I83.2Confident79.5Confident7 Ų771.1 Ų71.14%0.03638%0.38CS..EExtended strand (participates in β ladder)trans-130.3130.5-180-58.6169.9000109.3V28 F32 K54 N55 V57 L107 F109V28-I30 HydrophobicContact CG1-CD1 3.88Å; V28-I30 HydrophobicContact CG1-CG1 3.87Å; I30-F32 HydrophobicContact CB-CD2 4.41Å; I30-F32 HydrophobicContact CB-CE2 3.64Å; I30-F32 HydrophobicContact CB-CZ 3.94Å; I30-F32 HydrophobicContact CD1-CZ 4.35Å; I30-F32 HydrophobicContact CG2-CD2 4.08Å; I30-F32 HydrophobicContact CG2-CE1 4.13Å; I30-F32 HydrophobicContact CG2-CE2 3.55Å; I30-F32 HydrophobicContact CG2-CZ 3.58Å; I30-F32 WeakPolarHBondContact O-CD2 3.44Å; I30-K54 VanDerWaalsContact CD1-O 3.28Å; I30-K54 WeakPolarHBondContact CD1-O 3.39Å; I30-N55 HydrophobicContact CD1-CB 3.77Å; I30-N55 HydrophobicContact CG1-CB 4.17Å; I30-V57 HydrophobicContact CD1-CB 4.34Å; I30-V57 HydrophobicContact CD1-CG2 3.49Å; I30-V57 VanDerWaalsContact CD1-CG2 3.49Å; I30-L107 PolarHBondContact N-O 2.84Å; I30-L107 PolarHBondContact O-N 2.83Å; I30-F109 HydrophobicContact CB-CE2 4.45Å; I30-F109 HydrophobicContact CD1-CD2 4.49Å; I30-F109 HydrophobicContact CD1-CE2 4.35Å
31S84.3Confident79.3Confident79 Ų7971.4 Ų71.455%0.55238%0.379SS*.EExtended strand (participates in β ladder)trans-81.2127.3166.859.70000110.7V105S31-V105 CarbonylContact C-O 3.59Å; S31-V105 WeakPolarHBondContact CA-O 3.18Å
32F83.8Confident79.3Confident1 Ų172.7 Ų72.70%0.00438%0.382CS..EExtended strand (participates in β ladder)trans-109.9144172.8-64.5-92.6000111I30 I36 L38 K54 Y103 P104 V105 L107 F109I30-F32 HydrophobicContact CB-CD2 4.41Å; I30-F32 HydrophobicContact CB-CE2 3.64Å; I30-F32 HydrophobicContact CB-CZ 3.94Å; I30-F32 HydrophobicContact CD1-CZ 4.35Å; I30-F32 HydrophobicContact CG2-CD2 4.08Å; I30-F32 HydrophobicContact CG2-CE1 4.13Å; I30-F32 HydrophobicContact CG2-CE2 3.55Å; I30-F32 HydrophobicContact CG2-CZ 3.58Å; I30-F32 WeakPolarHBondContact O-CD2 3.44Å; F32-I36 HydrophobicContact CB-CG1 3.95Å; F32-I36 HydrophobicContact CD1-CG1 4.42Å; F32-I36 HydrophobicContact CD1-CG2 3.97Å; F32-I36 HydrophobicContact CE1-CG2 4.22Å; F32-I36 HydrophobicContact CG-CG1 4.23Å; F32-I36 HydrophobicContact CG-CG2 4.42Å; F32-L38 HydrophobicContact CE1-CD1 3.88Å; F32-L38 HydrophobicContact CE1-CG 4.07Å; F32-L38 HydrophobicContact CZ-CD1 3.59Å; F32-L38 HydrophobicContact CZ-CG 4.3Å; F32-K54 HydrophobicContact CD1-CD 4.35Å; F32-K54 HydrophobicContact CE1-CD 3.68Å; F32-K54 HydrophobicContact CZ-CD 4.39Å; F32-Y103 HydrophobicContact CB-CE1 4.45Å; F32-Y103 WeakPolarHBondContact O-CD1 3.46Å; F32-P104 WeakPolarHBondContact O-CA 3.44Å; F32-V105 PolarHBondContact N-O 2.86Å; F32-V105 PolarHBondContact O-N 2.87Å; F32-V105 VanDerWaalsContact O-N 3.1Å; F32-L107 HydrophobicContact CD2-CB 4.28Å; F32-L107 HydrophobicContact CD2-CD1 4.01Å; F32-L107 HydrophobicContact CD2-CG 4.18Å; F32-L107 HydrophobicContact CE2-CB 4.09Å; F32-L107 HydrophobicContact CE2-CD1 4.11Å; F32-L107 HydrophobicContact CE2-CG 4.4Å; F32-F109 AromaticContact CE2-CE2 3.61Å; F32-F109 HydrophobicContact CE2-CE2 3.61Å; F32-F109 AromaticContact CE2-CZ 3.78Å; F32-F109 HydrophobicContact CE2-CZ 3.78Å; F32-F109 AromaticContact CZ-CE2 3.85Å; F32-F109 HydrophobicContact CZ-CE2 3.85Å; F32-F109 AromaticContact CZ-CZ 3.89Å; F32-F109 HydrophobicContact CZ-CZ 3.89Å
33N84.2Confident79.6Confident118 Ų11873.6 Ų73.663%0.63138%0.383SS*.PPolyproline II helixtrans-99.2161.7163.7-65-24.2000108.5P35 Y103N33-P35 CarbonylContact O-C 3.23Å; N33-P35 VanDerWaalsContact O-C 3.23Å; N33-Y103 VanDerWaalsContact C-CD1 3.48Å
34Y80.9Confident79.9Confident112 Ų11275.8 Ų75.844%0.43939%0.39SS..SBendtrans-75.8135.6176.4-173-105.6000111E100 Y103Y34-E100 HydrophobicContact CD1-CB 4.06Å; Y34-E100 HydrophobicContact CD1-CG 3.69Å; Y34-E100 HydrophobicContact CD2-CB 4.47Å; Y34-E100 HydrophobicContact CE1-CB 4.21Å; Y34-E100 HydrophobicContact CE1-CG 4.22Å; Y34-E100 HydrophobicContact CG-CB 4.2Å; Y34-E100 HydrophobicContact CG-CG 3.96Å; Y34-Y103 AromaticContact CD2-CD2 3.9Å; Y34-Y103 HydrophobicContact CD2-CD2 3.9Å; Y34-Y103 AromaticContact CD2-CE2 3.47Å; Y34-Y103 HydrophobicContact CD2-CE2 3.47Å; Y34-Y103 VanDerWaalsContact CD2-CE2 3.47Å; Y34-Y103 AromaticContact CD2-CZ 3.82Å; Y34-Y103 HydrophobicContact CE2-CE2 4.34Å; Y34-Y103 HydrophobicContact CG-CD2 4.23Å; Y34-Y103 HydrophobicContact CG-CE2 4.23Å
35P80.3Confident80.5Confident87 Ų8771.7 Ų71.757%0.56538%0.384SS*.SBendcis-81.8157.3-8.234.3-34.7000112.8N33 D37N33-P35 CarbonylContact O-C 3.23Å; N33-P35 VanDerWaalsContact O-C 3.23Å; P35-D37 PolarHBondContact O-N 2.96Å
36I78.8Confident81.2Confident30 Ų3074.1 Ų74.115%0.15439%0.386CS..PPolyproline II helixtrans-68.6126.1174.3-66.5170.7000109.9F32 L38 L97 Y103 L107F32-I36 HydrophobicContact CB-CG1 3.95Å; F32-I36 HydrophobicContact CD1-CG1 4.42Å; F32-I36 HydrophobicContact CD1-CG2 3.97Å; F32-I36 HydrophobicContact CE1-CG2 4.22Å; F32-I36 HydrophobicContact CG-CG1 4.23Å; F32-I36 HydrophobicContact CG-CG2 4.42Å; I36-L38 HydrophobicContact CG2-CB 3.84Å; I36-L38 WeakPolarHBondContact CG2-O 3.38Å; I36-L38 PolarHBondContact O-N 2.88Å; I36-L97 HydrophobicContact CD1-CB 4Å; I36-L97 HydrophobicContact CD1-CD1 3.82Å; I36-L97 HydrophobicContact CD1-CD2 3.57Å; I36-L97 HydrophobicContact CD1-CG 3.97Å; I36-Y103 HydrophobicContact CD1-CE1 3.93Å; I36-Y103 WeakPolarHBondContact CD1-OH 3.4Å; I36-Y103 HydrophobicContact CG1-CE1 3.61Å; I36-Y103 VanDerWaalsContact CG1-OH 3.23Å; I36-Y103 WeakPolarHBondContact CG1-OH 3.48Å; I36-L107 HydrophobicContact CD1-CD1 4.24Å
37D81.4Confident81.9Confident109 Ų10969.1 Ų69.158%0.58335%0.354SS*.SBendtrans-67.2-17.1177.7-55.8-46.2000113.5P35 K54P35-D37 PolarHBondContact O-N 2.96Å; D37-K54 IonicContact OD2-NZ 2.8Å; D37-K54 PolarHBondContact OD2-NZ 3.02Å
38L82.7Confident82.2Confident11 Ų1166.3 Ų66.36%0.05834%0.34CS..SBendtrans-96.6135-179-58.4178000111.9F32 I36 V49 G52 K54 V57 F109F32-L38 HydrophobicContact CE1-CD1 3.88Å; F32-L38 HydrophobicContact CE1-CG 4.07Å; F32-L38 HydrophobicContact CZ-CD1 3.59Å; F32-L38 HydrophobicContact CZ-CG 4.3Å; I36-L38 HydrophobicContact CG2-CB 3.84Å; I36-L38 WeakPolarHBondContact CG2-O 3.38Å; I36-L38 PolarHBondContact O-N 2.88Å; L38-V49 HydrophobicContact CB-CG1 4.46Å; L38-V49 HydrophobicContact CD1-CG2 4.45Å; L38-V49 HydrophobicContact CD2-CG1 4.34Å; L38-G52 WeakPolarHBondContact CD2-O 3.47Å; L38-K54 HydrophobicContact CD2-CB 4.37Å; L38-V57 HydrophobicContact CD1-CG1 4.32Å; L38-F109 HydrophobicContact CD1-CE1 4.19Å; L38-F109 HydrophobicContact CD1-CE2 4.47Å; L38-F109 HydrophobicContact CD1-CZ 3.78Å
39K85.5Confident82.4Confident115 Ų11564.9 Ų64.950%0.533%0.331SS..EExtended strand (participates in β ladder)trans-88.2112.3170.5-163.7-173.8176.1-152.70109.5E41 V50 F51K39-E41 WeakPolarHBondContact CE-OE1 3.34Å; K39-E41 IonicContact NZ-OE1 2.69Å; K39-E41 PolarHBondContact NZ-OE1 2.84Å; K39-V50 PolarHBondContact O-N 3.4Å; K39-F51 HydrophobicContact CB-CB 3.86Å; K39-F51 PolarHBondContact N-O 3.01Å; K39-F51 PolarHBondContact O-N 3.43Å
40L84.2Confident82.6Confident19 Ų1962 Ų6210%0.09932%0.321CS..EExtended strand (participates in β ladder)trans-98.7136.4175.5-56.5179000110.5T48 V49 V63 L93 L94 L97 L107 F109L40-T48 WeakPolarHBondContact CA-O 3.31Å; L40-V49 HydrophobicContact CD2-CB 4.1Å; L40-V49 HydrophobicContact CD2-CG2 3.45Å; L40-V49 VanDerWaalsContact CD2-CG2 3.45Å; L40-V63 HydrophobicContact CD1-CG2 4.11Å; L40-V63 HydrophobicContact CD2-CG2 4.38Å; L40-L93 HydrophobicContact CD1-CD2 4.08Å; L40-L94 HydrophobicContact CB-CD2 4.26Å; L40-L97 HydrophobicContact CD1-CD1 3.59Å; L40-L107 HydrophobicContact CD1-CD1 4.41Å; L40-F109 HydrophobicContact CD2-CE1 4.25Å
41E85.2Confident82.7Confident75 Ų7568.6 Ų68.635%0.3535%0.349SS..EExtended strand (participates in β ladder)trans-130.5153.6171.1-58.6-177.1177.800110.2K39 I43 T48 V50K39-E41 WeakPolarHBondContact CE-OE1 3.34Å; K39-E41 IonicContact NZ-OE1 2.69Å; K39-E41 PolarHBondContact NZ-OE1 2.84Å; E41-I43 PolarHBondContact O-N 3.12Å; E41-T48 PolarHBondContact N-O 3.43Å; E41-T48 PolarHBondContact O-N 3.39Å; E41-V50 HydrophobicContact CB-CG2 3.59Å; E41-V50 HydrophobicContact CG-CB 4.19Å; E41-V50 HydrophobicContact CG-CG2 3.65Å
42M81.2Confident82.6Confident64 Ų6465.6 Ų65.632%0.31533%0.331SS..EExtended strand (participates in β ladder)trans-86.2104.4176.1-71.9-70.6-171.700109.6P47 L93 L94M42-P47 HydrophobicContact CE-CB 4.06Å; M42-P47 HydrophobicContact SD-CB 3.85Å; M42-P47 HydrophobicContact SD-CG 4.43Å; M42-L93 HydrophobicContact CE-CB 4.28Å; M42-L94 HydrophobicContact CE-CG 4.29Å; M42-L94 HydrophobicContact CG-CD1 3.77Å; M42-L94 HydrophobicContact CG-CG 4.28Å
43I80Confident82.6Confident75 Ų7572.5 Ų72.539%0.38536%0.363SS..EExtended strand (participates in β ladder)trans-110.1126.4174.6-57.5176.7000107.3E41 N45 R46 T48 V50E41-I43 PolarHBondContact O-N 3.12Å; I43-N45 PolarHBondContact O-N 3Å; I43-R46 PolarHBondContact N-O 2.96Å; I43-R46 WeakPolarHBondContact O-CA 3.2Å; I43-R46 WeakPolarHBondContact O-CB 3.48Å; I43-R46 PolarHBondContact O-N 3.42Å; I43-R46 VanDerWaalsContact O-O 3.04Å; I43-T48 HydrophobicContact CD1-CG2 4.39Å; I43-V50 HydrophobicContact CD1-CG2 4.06Å
44D75.6Confident82.3Confident123 Ų12369.7 Ų69.766%0.65835%0.345SS*.THydrogen-bonded Turntrans50.440.9-178.9-60.8-41.9000114.4R46D44-R46 PolarHBondContact O-N 2.98Å
45N78.6Confident82.2Confident126 Ų12670.4 Ų70.467%0.67436%0.357SS*.THydrogen-bonded Turntrans62.518.5-176.2-60.5-37.1000114.6I43 G74I43-N45 PolarHBondContact O-N 3Å; N45-G74 VanDerWaalsContact O-CA 3.23Å; N45-G74 WeakPolarHBondContact O-CA 3.21Å; N45-G74 PolarHBondContact O-N 3.09Å; N45-G74 VanDerWaalsContact O-N 3.14Å
46R81.3Confident82.1Confident82 Ų8268.8 Ų68.831%0.30936%0.356SS..EExtended strand (participates in β ladder)trans-116.8129.5174.8-63.8179.1-176.6-179.10.3110.2I43 D44 T48 V62 T113I43-R46 PolarHBondContact N-O 2.96Å; I43-R46 WeakPolarHBondContact O-CA 3.2Å; I43-R46 WeakPolarHBondContact O-CB 3.48Å; I43-R46 PolarHBondContact O-N 3.42Å; I43-R46 VanDerWaalsContact O-O 3.04Å; D44-R46 PolarHBondContact O-N 2.98Å; R46-T48 PolarHBondContact O-N 2.96Å; R46-T48 PolarHBondContact O-OG1 3.43Å; R46-V62 HydrophobicContact CB-CG1 3.85Å; R46-V62 HydrophobicContact CB-CG2 4.12Å; R46-V62 HydrophobicContact CG-CG1 4.44Å; R46-T113 PolarHBondContact NH1-O 3.09Å
47P83.5Confident82.2Confident5 Ų567.4 Ų67.43%0.03235%0.349CS..EExtended strand (participates in β ladder)trans-70.9103.2174.827.9-32.2000109.6M42 V62 V63 L71 L93M42-P47 HydrophobicContact CE-CB 4.06Å; M42-P47 HydrophobicContact SD-CB 3.85Å; M42-P47 HydrophobicContact SD-CG 4.43Å; P47-V62 CarbonylContact O-C 3.57Å; P47-V62 VanDerWaalsContact O-CA 3.29Å; P47-V62 WeakPolarHBondContact O-CA 3.44Å; P47-V63 HydrophobicContact CB-CB 4.42Å; P47-V63 HydrophobicContact CB-CG2 4.48Å; P47-V63 HydrophobicContact CG-CB 3.94Å; P47-V63 PolarHBondContact O-N 3.29Å; P47-L71 HydrophobicContact CG-CD1 4.15Å; P47-L93 HydrophobicContact CB-CD2 3.89Å; P47-L93 HydrophobicContact CG-CD1 4.38Å
48T85.2Confident82.1Confident16 Ų1667.1 Ų67.110%0.09834%0.344CS..EExtended strand (participates in β ladder)trans-108.1140-174.2-52.50000110.6L40 E41 I43 R46 V50 Y61 V62L40-T48 WeakPolarHBondContact CA-O 3.31Å; E41-T48 PolarHBondContact N-O 3.43Å; E41-T48 PolarHBondContact O-N 3.39Å; I43-T48 HydrophobicContact CD1-CG2 4.39Å; R46-T48 PolarHBondContact O-N 2.96Å; R46-T48 PolarHBondContact O-OG1 3.43Å; T48-V50 PolarHBondContact O-N 3.21Å; T48-Y61 CarbonylContact C-O 3.55Å; T48-Y61 WeakPolarHBondContact CA-O 3.49Å; T48-V62 HydrophobicContact CG2-CG2 4.45Å
49V87.4Confident82.2Confident1 Ų170.6 Ų70.61%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-72.2114.6172.5-177.10000109.1L38 L40 V57 V59 G60 Y61 F109L38-V49 HydrophobicContact CB-CG1 4.46Å; L38-V49 HydrophobicContact CD1-CG2 4.45Å; L38-V49 HydrophobicContact CD2-CG1 4.34Å; L40-V49 HydrophobicContact CD2-CB 4.1Å; L40-V49 HydrophobicContact CD2-CG2 3.45Å; L40-V49 VanDerWaalsContact CD2-CG2 3.45Å; V49-V57 HydrophobicContact CG2-CG1 3.9Å; V49-V59 WeakPolarHBondContact O-CA 3.41Å; V49-V59 WeakPolarHBondContact O-CG1 3.42Å; V49-G60 PolarHBondContact O-N 3.43Å; V49-Y61 PolarHBondContact N-O 2.93Å; V49-F109 HydrophobicContact CG2-CD1 3.79Å; V49-F109 HydrophobicContact CG2-CE1 3.59Å
50V86.8Confident82Confident47 Ų4766.6 Ų66.629%0.28536%0.357SS..EExtended strand (participates in β ladder)trans-95.5-32178.31770000111.5K39 E41 I43 T48 V59K39-V50 PolarHBondContact O-N 3.4Å; E41-V50 HydrophobicContact CB-CG2 3.59Å; E41-V50 HydrophobicContact CG-CB 4.19Å; E41-V50 HydrophobicContact CG-CG2 3.65Å; I43-V50 HydrophobicContact CD1-CG2 4.06Å; T48-V50 PolarHBondContact O-N 3.21Å; V50-V59 WeakPolarHBondContact O-CG1 3.34Å
51F86.1Confident82.1Confident146 Ų14667.5 Ų67.564%0.6436%0.359SS*.EExtended strand (participates in β ladder)trans-146.8144.3179.7-173.2-97.7000112.1K39K39-F51 HydrophobicContact CB-CB 3.86Å; K39-F51 PolarHBondContact N-O 3.01Å; K39-F51 PolarHBondContact O-N 3.43Å
52G82Confident82.1Confident16 Ų1664.6 Ų64.617%0.16535%0.347CS..  trans102150.2179.300000112.6L38L38-G52 WeakPolarHBondContact CD2-O 3.47Å
53E82.7Confident82.3Confident145 Ų14561.7 Ų61.768%0.67833%0.332SS*.  trans-132131.1175-61.1-172.4161.500108.5V57E53-V57 VanDerWaalsContact CA-O 3.27Å; E53-V57 WeakPolarHBondContact CA-O 3.36Å
54K79.3Confident82.4Confident59 Ų5960.4 Ų60.426%0.25733%0.326SS..BIsolated β-bridgetrans-149.7130.1177.8-164.7174.6-174168.40110.5I30 F32 D37 L38 G56 V57I30-K54 VanDerWaalsContact CD1-O 3.28Å; I30-K54 WeakPolarHBondContact CD1-O 3.39Å; F32-K54 HydrophobicContact CD1-CD 4.35Å; F32-K54 HydrophobicContact CE1-CD 3.68Å; F32-K54 HydrophobicContact CZ-CD 4.39Å; D37-K54 IonicContact OD2-NZ 2.8Å; D37-K54 PolarHBondContact OD2-NZ 3.02Å; L38-K54 HydrophobicContact CD2-CB 4.37Å; K54-G56 PolarHBondContact O-N 3.37Å; K54-V57 PolarHBondContact N-O 3.35Å; K54-V57 WeakPolarHBondContact O-CB 3.36Å; K54-V57 PolarHBondContact O-N 3.5Å
55N77.5Confident82.7Confident127 Ų12757.1 Ų57.168%0.67931%0.307SS*.THydrogen-bonded Turntrans46.436.6175.9-59.9-17.2000114.8I30I30-N55 HydrophobicContact CD1-CB 3.77Å; I30-N55 HydrophobicContact CG1-CB 4.17Å
56G78.4Confident82.9Confident53 Ų5351.2 Ų51.255%0.54628%0.275SS..THydrogen-bonded Turntrans94.7-8.217900000115.6K54 Q58K54-G56 PolarHBondContact O-N 3.37Å; G56-Q58 PolarHBondContact O-N 2.99Å
57V81.1Confident82.9Confident1 Ų150.6 Ų50.61%0.00628%0.278CS..BIsolated β-bridgetrans-74.8124.4169179.90000108.7V28 I30 L38 V49 E53 K54 Y61 F109V28-V57 HydrophobicContact CB-CG2 4.01Å; V28-V57 HydrophobicContact CG1-CG2 3.79Å; I30-V57 HydrophobicContact CD1-CB 4.34Å; I30-V57 HydrophobicContact CD1-CG2 3.49Å; I30-V57 VanDerWaalsContact CD1-CG2 3.49Å; L38-V57 HydrophobicContact CD1-CG1 4.32Å; V49-V57 HydrophobicContact CG2-CG1 3.9Å; E53-V57 VanDerWaalsContact CA-O 3.27Å; E53-V57 WeakPolarHBondContact CA-O 3.36Å; K54-V57 PolarHBondContact N-O 3.35Å; K54-V57 WeakPolarHBondContact O-CB 3.36Å; K54-V57 PolarHBondContact O-N 3.5Å; V57-Y61 HydrophobicContact CG1-CG 4.12Å; V57-F109 HydrophobicContact CB-CG 4.49Å; V57-F109 HydrophobicContact CG1-CB 4.27Å; V57-F109 HydrophobicContact CG1-CD1 3.85Å; V57-F109 HydrophobicContact CG1-CD2 4.28Å; V57-F109 HydrophobicContact CG1-CE1 4.22Å; V57-F109 HydrophobicContact CG1-CG 3.88Å; V57-F109 HydrophobicContact CG2-CB 3.87Å; V57-F109 HydrophobicContact CG2-CD1 4.49Å; V57-F109 HydrophobicContact CG2-CD2 3.5Å; V57-F109 VanDerWaalsContact CG2-CD2 3.5Å; V57-F109 HydrophobicContact CG2-CE2 4.1Å; V57-F109 HydrophobicContact CG2-CG 3.72Å
58Q80.3Confident82.6Confident103 Ų10352.8 Ų52.848%0.48130%0.302SS..  trans-111.6171.6176.5-66.1-178.7-3100110.8G56 G60 Y61G56-Q58 PolarHBondContact O-N 2.99Å; Q58-G60 PolarHBondContact O-N 3.23Å; Q58-Y61 HydrophobicContact CB-CD2 4.14Å; Q58-Y61 HydrophobicContact CB-CE2 3.96Å; Q58-Y61 WeakPolarHBondContact O-CD2 3.48Å; Q58-Y61 PolarHBondContact O-N 3.04Å
59V84.3Confident82.2Confident85 Ų8554.4 Ų54.452%0.51531%0.313SS..THydrogen-bonded Turntrans-56.1134.8170.8-179.30000110V49 V50V49-V59 WeakPolarHBondContact O-CA 3.41Å; V49-V59 WeakPolarHBondContact O-CG1 3.42Å; V50-V59 WeakPolarHBondContact O-CG1 3.34Å
60G82.1Confident81.9Confident31 Ų3158.6 Ų58.632%0.3234%0.34SS..THydrogen-bonded Turntrans95.3-5.8-178.800000115.3V49 Q58 P112V49-G60 PolarHBondContact O-N 3.43Å; Q58-G60 PolarHBondContact O-N 3.23Å; G60-P112 VanDerWaalsContact O-CD 3.24Å; G60-P112 WeakPolarHBondContact O-CD 3.4Å
61Y84.5Confident81.4Confident37 Ų3757.7 Ų57.715%0.14533%0.334CS..  trans-70.3144.5169.1-81.7-115.8000110.5T48 V49 V57 Q58 F109T48-Y61 CarbonylContact C-O 3.55Å; T48-Y61 WeakPolarHBondContact CA-O 3.49Å; V49-Y61 PolarHBondContact N-O 2.93Å; V57-Y61 HydrophobicContact CG1-CG 4.12Å; Q58-Y61 HydrophobicContact CB-CD2 4.14Å; Q58-Y61 HydrophobicContact CB-CE2 3.96Å; Q58-Y61 WeakPolarHBondContact O-CD2 3.48Å; Q58-Y61 PolarHBondContact O-N 3.04Å; Y61-F109 HydrophobicContact CD1-CB 4.01Å
62V85.4Confident80.7Confident14 Ų1452 Ų529%0.08531%0.314CS..EExtended strand (participates in β ladder)trans-109.1140.1179.4173.30000109.7R46 P47 T48 F109 W110 P112R46-V62 HydrophobicContact CB-CG1 3.85Å; R46-V62 HydrophobicContact CB-CG2 4.12Å; R46-V62 HydrophobicContact CG-CG1 4.44Å; P47-V62 CarbonylContact O-C 3.57Å; P47-V62 VanDerWaalsContact O-CA 3.29Å; P47-V62 WeakPolarHBondContact O-CA 3.44Å; T48-V62 HydrophobicContact CG2-CG2 4.45Å; V62-F109 CarbonylContact O-C 3.58Å; V62-F109 WeakPolarHBondContact O-CA 3.43Å; V62-W110 PolarHBondContact N-O 2.85Å; V62-W110 PolarHBondContact O-N 2.97Å; V62-P112 HydrophobicContact CG2-CB 3.88Å; V62-P112 HydrophobicContact CG2-CG 3.85Å
63V85.2Confident80Confident3 Ų357.4 Ų57.42%0.01835%0.346CS..EExtended strand (participates in β ladder)trans-78.7124.8172-168.60000109.6L40 P47 L71 L93 L107 K108 F109L40-V63 HydrophobicContact CD1-CG2 4.11Å; L40-V63 HydrophobicContact CD2-CG2 4.38Å; P47-V63 HydrophobicContact CB-CB 4.42Å; P47-V63 HydrophobicContact CB-CG2 4.48Å; P47-V63 HydrophobicContact CG-CB 3.94Å; P47-V63 PolarHBondContact O-N 3.29Å; V63-L71 HydrophobicContact CB-CD1 3.87Å; V63-L71 HydrophobicContact CG1-CD1 3.56Å; V63-L71 VanDerWaalsContact O-CD1 3.26Å; V63-L71 WeakPolarHBondContact O-CD1 3.36Å; V63-L93 HydrophobicContact CB-CD1 4.29Å; V63-L93 HydrophobicContact CG1-CD1 4.04Å; V63-L107 HydrophobicContact CG1-CB 4.27Å; V63-L107 HydrophobicContact CG1-CD2 4.02Å; V63-K108 WeakPolarHBondContact CA-O 3.32Å; V63-F109 HydrophobicContact CG2-CD1 3.78Å; V63-F109 HydrophobicContact CG2-CE1 3.53Å; V63-F109 HydrophobicContact CG2-CZ 4.36Å
64I82.4Confident79.2Confident48 Ų4851.6 Ų51.625%0.24633%0.325CS..EExtended strand (participates in β ladder)trans-98.9-44.7173-48.2177.5000111.2L71 K108 W110I64-L71 WeakPolarHBondContact O-CB 3.45Å; I64-L71 WeakPolarHBondContact O-CD1 3.3Å; I64-L71 WeakPolarHBondContact O-CG 3.49Å; I64-L71 PolarHBondContact O-N 3.07Å; I64-K108 PolarHBondContact N-O 2.84Å; I64-W110 HydrophobicContact CD1-CB 3.43Å; I64-W110 VanDerWaalsContact CD1-CB 3.43Å; I64-W110 HydrophobicContact CD1-CD2 3.76Å; I64-W110 HydrophobicContact CD1-CE3 3.23Å; I64-W110 HydrophobicContact CD1-CG 3.91Å; I64-W110 HydrophobicContact CD1-CZ3 4.09Å; I64-W110 HydrophobicContact CG1-CB 3.75Å; I64-W110 HydrophobicContact CG1-CE3 4.11Å
65E83.1Confident78.6Confident54 Ų5448.9 Ų48.925%0.25231%0.314SS..EExtended strand (participates in β ladder)trans-126.7141.8-171.4-51.5-177151.300110.2C69 P70 K108E65-C69 WeakPolarHBondContact CA-O 3.02Å; E65-P70 HydrophobicContact CG-CB 4.46Å; E65-K108 HydrophobicContact CB-CB 3.87Å; E65-K108 HydrophobicContact CB-CD 4.31Å; E65-K108 HydrophobicContact CG-CB 4.43Å; E65-K108 HydrophobicContact CG-CD 4.12Å; E65-K108 PolarHBondContact O-N 2.88Å; E65-K108 WeakPolarHBondContact OE2-CD 3.29Å; E65-K108 IonicContact OE2-NZ 2.81Å; E65-K108 PolarHBondContact OE2-NZ 2.83Å
66C81.6Confident78Confident2 Ų249.2 Ų49.21%0.01431%0.305CS..EExtended strand (participates in β ladder)trans-125.4120.1174.1-174.90000107.9G68 C69 I77 V105 L106 L107C66-G68 PolarHBondContact O-N 2.61Å; C66-C69 PolarHBondContact N-O 3.13Å; C66-C69 WeakPolarHBondContact O-CB 3.32Å; C66-C69 PolarHBondContact O-N 3.3Å; C66-I77 HydrophobicContact CB-CD1 3.96Å; C66-I77 HydrophobicContact CB-CG1 4.3Å; C66-V105 WeakPolarHBondContact SG-CG1 3.5Å; C66-L106 CarbonylContact C-O 3.58Å; C66-L106 WeakPolarHBondContact CA-O 3.45Å; C66-L107 HydrophobicContact CB-CD2 3.99Å
67N81.5Confident77.6Confident70 Ų7046.9 Ų46.937%0.37428%0.281SS..THydrogen-bonded Turntrans52.735.1-178.2-67-23.1000114C69 Y96 V105 L106N67-C69 PolarHBondContact O-N 3.05Å; N67-Y96 PolarHBondContact ND2-OH 3.1Å; N67-V105 WeakPolarHBondContact OD1-CA 3.37Å; N67-L106 PolarHBondContact N-O 3.26Å; N67-L106 PolarHBondContact OD1-N 3.36Å
68G77.9Confident76.7Confident51 Ų5150.1 Ų50.153%0.52630%0.298SS..THydrogen-bonded Turntrans78.2-0.5-17700000115C66C66-G68 PolarHBondContact O-N 2.61Å
69C77.5Confident75.7Confident49 Ų4947.4 Ų47.433%0.33129%0.29SS..EExtended strand (participates in β ladder)trans-93123.8171.8-65.30000110E65 C66 N67E65-C69 WeakPolarHBondContact CA-O 3.02Å; C66-C69 PolarHBondContact N-O 3.13Å; C66-C69 WeakPolarHBondContact O-CB 3.32Å; C66-C69 PolarHBondContact O-N 3.3Å; N67-C69 PolarHBondContact O-N 3.05Å
70P80Confident74Confident90 Ų9047.6 Ų47.658%0.58430%0.3SS*.EExtended strand (participates in β ladder)trans-67.4135.7174.928.6-33.7000110.6E65 A72E65-P70 HydrophobicContact CG-CB 4.46Å; P70-A72 PolarHBondContact O-N 2.95Å
71L75.7Confident72.1Confident28 Ų2852.4 Ų52.415%0.14732%0.319CS..PPolyproline II helixtrans-71.2127.1176.8-73.7156.3000109.8P47 V63 I64 I77 L93P47-L71 HydrophobicContact CG-CD1 4.15Å; V63-L71 HydrophobicContact CB-CD1 3.87Å; V63-L71 HydrophobicContact CG1-CD1 3.56Å; V63-L71 VanDerWaalsContact O-CD1 3.26Å; V63-L71 WeakPolarHBondContact O-CD1 3.36Å; I64-L71 WeakPolarHBondContact O-CB 3.45Å; I64-L71 WeakPolarHBondContact O-CD1 3.3Å; I64-L71 WeakPolarHBondContact O-CG 3.49Å; I64-L71 PolarHBondContact O-N 3.07Å; L71-I77 HydrophobicContact CD2-CB 4.49Å; L71-I77 HydrophobicContact CD2-CD1 4.26Å; L71-I77 HydrophobicContact CD2-CG1 3.35Å; L71-L93 HydrophobicContact CD1-CD1 3.47Å; L71-L93 VanDerWaalsContact CD1-CD1 3.47Å; L71-L93 HydrophobicContact CD2-CB 4.03Å; L71-L93 HydrophobicContact CD2-CD1 3.6Å; L71-L93 HydrophobicContact CD2-CG 4.44Å; L71-L93 HydrophobicContact CG-CD1 4.18Å
72A71.4Confident69.9Low26 Ų2658.4 Ų58.422%0.21535%0.353CS..BIsolated β-bridgetrans-67.6153.4169.300000110.4P70 G74 G75 R76P70-A72 PolarHBondContact O-N 2.95Å; A72-G74 PolarHBondContact O-N 2.92Å; A72-G75 PolarHBondContact O-N 3.38Å; A72-R76 HydrophobicContact CB-CB 4.16Å; A72-R76 PolarHBondContact N-O 2.61Å; A72-R76 PolarHBondContact O-N 3.28Å
73P67.8Low67.8Low129 Ų12964.1 Ų64.184%0.83838%0.383SS*.THydrogen-bonded Turntrans-52.9131.8177.819.3-31000111.3
74G66.1Low65.5Low24 Ų2469.5 Ų69.525%0.24742%0.422CS..THydrogen-bonded Turntrans93.37.3-16800000114.4N45 A72 R76N45-G74 VanDerWaalsContact O-CA 3.23Å; N45-G74 WeakPolarHBondContact O-CA 3.21Å; N45-G74 PolarHBondContact O-N 3.09Å; N45-G74 VanDerWaalsContact O-N 3.14Å; A72-G74 PolarHBondContact O-N 2.92Å; G74-R76 VanDerWaalsContact C-N 3.34Å; G74-R76 PolarHBondContact O-N 2.91Å
75G65.9Low63.5Low2 Ų276.1 Ų76.12%0.02146%0.456CS..THydrogen-bonded Turntrans63.639178.400000112.6A72 L93A72-G75 PolarHBondContact O-N 3.38Å; G75-L93 VanDerWaalsContact O-CB 3.28Å; G75-L93 WeakPolarHBondContact O-CB 3.49Å; G75-L93 PolarHBondContact O-N 3.43Å
76R66.6Low61.1Low133 Ų13377.3 Ų77.350%0.50248%0.476SS..EExtended strand (participates in β ladder)trans-89.9131.6174.1-68.1176.4-177.7174.62.4108.8A72 G74A72-R76 HydrophobicContact CB-CB 4.16Å; A72-R76 PolarHBondContact N-O 2.61Å; A72-R76 PolarHBondContact O-N 3.28Å; G74-R76 VanDerWaalsContact C-N 3.34Å; G74-R76 PolarHBondContact O-N 2.91Å
77I68.5Low59.1Low5 Ų586.6 Ų86.63%0.02652%0.516CS..EExtended strand (participates in β ladder)trans-93.5113170.6-59.7167.1000105.6C66 L71 S79 T91 L93 Y96C66-I77 HydrophobicContact CB-CD1 3.96Å; C66-I77 HydrophobicContact CB-CG1 4.3Å; L71-I77 HydrophobicContact CD2-CB 4.49Å; L71-I77 HydrophobicContact CD2-CD1 4.26Å; L71-I77 HydrophobicContact CD2-CG1 3.35Å; I77-S79 PolarHBondContact O-N 2.91Å; I77-T91 PolarHBondContact N-O 3.31Å; I77-T91 PolarHBondContact O-N 3.36Å; I77-L93 HydrophobicContact CD1-CB 4.18Å; I77-L93 HydrophobicContact CD1-CG 4.44Å; I77-L93 HydrophobicContact CG1-CB 4.41Å; I77-Y96 HydrophobicContact CD1-CD1 3.5Å; I77-Y96 HydrophobicContact CD1-CD2 4.33Å; I77-Y96 HydrophobicContact CD1-CE1 4.15Å; I77-Y96 HydrophobicContact CD1-CG 3.61Å
78D63.9Low57.2Low69 Ų6988.1 Ų88.137%0.36953%0.528SS..EExtended strand (participates in β ladder)trans-90.290.5168.4-69.4-28.1000106.8A80 T88 S90D78-A80 PolarHBondContact O-N 3.12Å; D78-A80 VanDerWaalsContact O-N 3.15Å; D78-T88 HydrophobicContact CB-CG2 4.17Å; D78-S90 WeakPolarHBondContact OD1-CB 3.21Å; D78-S90 PolarHBondContact OD1-OG 2.85Å
79S58.3Low55.9Low46 Ų4693.5 Ų93.532%0.32254%0.537SS..  trans-67.6111.8168.2-58.70000107.6I77 D81I77-S79 PolarHBondContact O-N 2.91Å; S79-D81 PolarHBondContact O-N 2.99Å; S79-D81 VanDerWaalsContact O-N 3.14Å
80A49Very low55Low88 Ų8893.9 Ų93.973%0.72754%0.54SS*.  trans-74.896.8169.900000107.9D78 D82D78-A80 PolarHBondContact O-N 3.12Å; D78-A80 VanDerWaalsContact O-N 3.15Å; A80-D82 PolarHBondContact O-N 3.2Å
81D42.3Very low54.3Low132 Ų13292 Ų9271%0.70653%0.527SS*.  trans-70.8115.3162.7-73.7-26.7000107.2S79 D83S79-D81 PolarHBondContact O-N 2.99Å; S79-D81 VanDerWaalsContact O-N 3.14Å; D81-D83 PolarHBondContact O-N 2.87Å
82D37.3Very low54.3Low163 Ų16396.4 Ų96.487%0.87255%0.545SS*.SBendtrans-70.540.6-176.9-110.2-12.7000113.2A80A80-D82 PolarHBondContact O-N 3.2Å
83D41.2Very low54.4Low134 Ų13495.2 Ų95.272%0.71753%0.534SS*.SBendtrans-139.2112.2172.2-89.9-37.6000111.3D81 L85D81-D83 PolarHBondContact O-N 2.87Å; D83-L85 PolarHBondContact O-N 2.91Å
84S36.9Very low54.8Low117 Ų11792.4 Ų92.482%0.81851%0.512SS*.THydrogen-bonded Turntrans-36.3128.3175.350.30000114.1
85L40.8Very low55.5Low187 Ų18795.7 Ų95.798%0.97952%0.524SS*.THydrogen-bonded Turntrans96.45165.2-138.883000118.8D83D83-L85 PolarHBondContact O-N 2.91Å
86A33.6Very low56.1Low79 Ų7997.3 Ų97.365%0.65353%0.53SS*.SBendtrans-110.9125.7178.300000113T88A86-T88 PolarHBondContact O-N 3.3Å
87K38.4Very low56.7Low197 Ų19791.7 Ų91.786%0.85751%0.51SS*.  trans-27.5118.1177.7-67.9167.1177.6173.30114.4K89K87-K89 PolarHBondContact O-N 3.01Å
88T42.8Very low57.2Low102 Ų10294.4 Ų94.463%0.62653%0.533SS*.  trans-50.2103.4164.1-42.90000109D78 A86 S90D78-T88 HydrophobicContact CB-CG2 4.17Å; A86-T88 PolarHBondContact O-N 3.3Å; T88-S90 VanDerWaalsContact C-N 3.3Å; T88-S90 PolarHBondContact O-N 3.41Å
89K49.9Very low58Low164 Ų16495.8 Ų95.871%0.71354%0.54SS*.  trans-79.286.9172.7-92.7-176177176.40107.3K87 T91K87-K89 PolarHBondContact O-N 3.01Å; K89-T91 VanDerWaalsContact C-N 3.35Å; K89-T91 PolarHBondContact O-N 2.9Å
90S57.8Low59.1Low57 Ų57100 Ų10040%0.39956%0.555SS.*EExtended strand (participates in β ladder)trans-70.692.3168.4-55.10000109.1D78 T88D78-S90 WeakPolarHBondContact OD1-CB 3.21Å; D78-S90 PolarHBondContact OD1-OG 2.85Å; T88-S90 VanDerWaalsContact C-N 3.3Å; T88-S90 PolarHBondContact O-N 3.41Å
91T67.1Low60.5Low51 Ų51100.4 Ų100.431%0.31356%0.558SS.*EExtended strand (participates in β ladder)trans-87137.4172.946.50000109.7I77 K89I77-T91 PolarHBondContact N-O 3.31Å; I77-T91 PolarHBondContact O-N 3.36Å; K89-T91 VanDerWaalsContact C-N 3.35Å; K89-T91 PolarHBondContact O-N 2.9Å
92K75.8Confident62.2Low120 Ų12096.2 Ų96.252%0.52254%0.536SS..EExtended strand (participates in β ladder)trans-66.3141.5172.5-66.2176.2-179.2172.50108.6L94 D95 Y96K92-L94 PolarHBondContact O-N 3.3Å; K92-D95 PolarHBondContact O-N 2.91Å; K92-Y96 PolarHBondContact O-N 3.45Å
93L72.9Confident64.3Low0 Ų090.1 Ų90.10%050%0.501CS..Hα-helixtrans-56.6-37.7179.1173145.5000112.2L40 M42 P47 V63 L71 G75 I77 D95 Y96 L97L40-L93 HydrophobicContact CD1-CD2 4.08Å; M42-L93 HydrophobicContact CE-CB 4.28Å; P47-L93 HydrophobicContact CB-CD2 3.89Å; P47-L93 HydrophobicContact CG-CD1 4.38Å; V63-L93 HydrophobicContact CB-CD1 4.29Å; V63-L93 HydrophobicContact CG1-CD1 4.04Å; L71-L93 HydrophobicContact CD1-CD1 3.47Å; L71-L93 VanDerWaalsContact CD1-CD1 3.47Å; L71-L93 HydrophobicContact CD2-CB 4.03Å; L71-L93 HydrophobicContact CD2-CD1 3.6Å; L71-L93 HydrophobicContact CD2-CG 4.44Å; L71-L93 HydrophobicContact CG-CD1 4.18Å; G75-L93 VanDerWaalsContact O-CB 3.28Å; G75-L93 WeakPolarHBondContact O-CB 3.49Å; G75-L93 PolarHBondContact O-N 3.43Å; I77-L93 HydrophobicContact CD1-CB 4.18Å; I77-L93 HydrophobicContact CD1-CG 4.44Å; I77-L93 HydrophobicContact CG1-CB 4.41Å; L93-D95 VanDerWaalsContact C-N 3.3Å; L93-D95 PolarHBondContact O-N 3.47Å; L93-Y96 PolarHBondContact O-N 2.91Å; L93-L97 HydrophobicContact CD2-CD1 3.36Å; L93-L97 HydrophobicContact CD2-CG 4.24Å; L93-L97 HydrophobicContact CG-CD1 3.75Å; L93-L97 HydrophobicContact CG-CG 4.16Å; L93-L97 WeakPolarHBondContact O-CB 3.44Å; L93-L97 WeakPolarHBondContact O-CG 3.17Å; L93-L97 PolarHBondContact O-N 3.22Å
94L76.7Confident66.2Low70 Ų7088.1 Ų88.137%0.36650%0.495SS..Hα-helixtrans-63-37.5177.3-64.8178.1000112.6L40 M42 K92 A98L40-L94 HydrophobicContact CB-CD2 4.26Å; M42-L94 HydrophobicContact CE-CG 4.29Å; M42-L94 HydrophobicContact CG-CD1 3.77Å; M42-L94 HydrophobicContact CG-CG 4.28Å; K92-L94 PolarHBondContact O-N 3.3Å; L94-A98 PolarHBondContact O-N 3.04Å
95D80.4Confident68.5Low94 Ų9482.6 Ų82.650%0.50346%0.456SS..Hα-helixtrans-73.7-41.3177.6-57.3-26.5000109.8K92 L93 L97 A98K92-D95 PolarHBondContact O-N 2.91Å; L93-D95 VanDerWaalsContact C-N 3.3Å; L93-D95 PolarHBondContact O-N 3.47Å; D95-L97 VanDerWaalsContact C-N 3.33Å; D95-L97 PolarHBondContact O-N 2.91Å; D95-A98 WeakPolarHBondContact O-CB 3.22Å; D95-A98 PolarHBondContact O-N 3.47Å; D95-A98 VanDerWaalsContact O-N 3.14Å
96Y77.5Confident70.6Confident35 Ų3576.9 Ų76.914%0.13743%0.426CS..Hα-helixtrans-61.9-38.4177.7-175.9-96.8000113N67 I77 K92 L93 A98 N102 V105N67-Y96 PolarHBondContact ND2-OH 3.1Å; I77-Y96 HydrophobicContact CD1-CD1 3.5Å; I77-Y96 HydrophobicContact CD1-CD2 4.33Å; I77-Y96 HydrophobicContact CD1-CE1 4.15Å; I77-Y96 HydrophobicContact CD1-CG 3.61Å; K92-Y96 PolarHBondContact O-N 3.45Å; L93-Y96 PolarHBondContact O-N 2.91Å; Y96-A98 VanDerWaalsContact C-N 3.3Å; Y96-N102 HydrophobicContact CD1-CB 4.42Å; Y96-N102 VanDerWaalsContact CD2-ND2 3.27Å; Y96-N102 WeakPolarHBondContact CD2-ND2 3.47Å; Y96-N102 HydrophobicContact CE1-CB 3.86Å; Y96-N102 HydrophobicContact CE2-CB 3.99Å; Y96-N102 VanDerWaalsContact CE2-ND2 3.3Å; Y96-N102 WeakPolarHBondContact CE2-ND2 3.48Å; Y96-N102 PolarHBondContact O-ND2 2.83Å; Y96-V105 HydrophobicContact CE1-CG2 4.18Å
97L79.3Confident73.1Confident16 Ų1673.1 Ų73.18%0.08440%0.395CS..Hα-helixtrans-77.7-14.8177.9-62.8174000112.9I36 L40 L93 D95 Y103 V105 L107I36-L97 HydrophobicContact CD1-CB 4Å; I36-L97 HydrophobicContact CD1-CD1 3.82Å; I36-L97 HydrophobicContact CD1-CD2 3.57Å; I36-L97 HydrophobicContact CD1-CG 3.97Å; L40-L97 HydrophobicContact CD1-CD1 3.59Å; L93-L97 HydrophobicContact CD2-CD1 3.36Å; L93-L97 HydrophobicContact CD2-CG 4.24Å; L93-L97 HydrophobicContact CG-CD1 3.75Å; L93-L97 HydrophobicContact CG-CG 4.16Å; L93-L97 WeakPolarHBondContact O-CB 3.44Å; L93-L97 WeakPolarHBondContact O-CG 3.17Å; L93-L97 PolarHBondContact O-N 3.22Å; D95-L97 VanDerWaalsContact C-N 3.33Å; D95-L97 PolarHBondContact O-N 2.91Å; L97-Y103 WeakPolarHBondContact O-CE2 3.05Å; L97-Y103 PolarHBondContact O-OH 3.47Å; L97-V105 HydrophobicContact CD2-CG1 4.18Å; L97-V105 HydrophobicContact CD2-CG2 4.4Å; L97-L107 HydrophobicContact CD1-CD1 4.44Å; L97-L107 HydrophobicContact CD2-CD1 4.33Å; L97-L107 HydrophobicContact CD2-CD2 4.27Å
98A79.6Confident75.3Confident62 Ų6265.1 Ų65.151%0.51236%0.361SS..Hα-helixtrans-76.3-26.1174.900000112.4L94 D95 Y96 E100L94-A98 PolarHBondContact O-N 3.04Å; D95-A98 WeakPolarHBondContact O-CB 3.22Å; D95-A98 PolarHBondContact O-N 3.47Å; D95-A98 VanDerWaalsContact O-N 3.14Å; Y96-A98 VanDerWaalsContact C-N 3.3Å; A98-E100 PolarHBondContact O-N 3.03Å
99D81Confident77.4Confident98 Ų9860.3 Ų60.352%0.52433%0.331SS..  trans-80.8115.9-179.9-73.1-25.9000111.5A101 N102 Y103D99-A101 PolarHBondContact O-N 3.3Å; D99-N102 WeakPolarHBondContact CB-ND2 3.43Å; D99-N102 PolarHBondContact O-N 2.92Å; D99-Y103 WeakPolarHBondContact O-CD2 3.43Å; D99-Y103 WeakPolarHBondContact O-CE2 3.35Å
100E80.4Confident78.9Confident134 Ų13455.2 Ų55.263%0.62631%0.307SS*.G310 helixtrans-59.9-28.8178.2-176.4174.7-171.700112.9Y34 A98 N102 Y103Y34-E100 HydrophobicContact CD1-CB 4.06Å; Y34-E100 HydrophobicContact CD1-CG 3.69Å; Y34-E100 HydrophobicContact CD2-CB 4.47Å; Y34-E100 HydrophobicContact CE1-CB 4.21Å; Y34-E100 HydrophobicContact CE1-CG 4.22Å; Y34-E100 HydrophobicContact CG-CB 4.2Å; Y34-E100 HydrophobicContact CG-CG 3.96Å; A98-E100 PolarHBondContact O-N 3.03Å; E100-N102 PolarHBondContact O-N 2.83Å; E100-Y103 PolarHBondContact O-N 2.88Å
101A79.3Confident80Confident97 Ų9760 Ų6080%0.80232%0.317SS*.G310 helixtrans-65.6-19-178.800000114.1D99 Y103D99-A101 PolarHBondContact O-N 3.3Å; A101-Y103 VanDerWaalsContact C-N 3.31Å
102N77.4Confident80.5Confident43 Ų4360 Ų6023%0.2332%0.317CS..G310 helixtrans-85.1-4.9-178.2-66.6-32.4000113.1Y96 D99 E100 V105Y96-N102 HydrophobicContact CD1-CB 4.42Å; Y96-N102 VanDerWaalsContact CD2-ND2 3.27Å; Y96-N102 WeakPolarHBondContact CD2-ND2 3.47Å; Y96-N102 HydrophobicContact CE1-CB 3.86Å; Y96-N102 HydrophobicContact CE2-CB 3.99Å; Y96-N102 VanDerWaalsContact CE2-ND2 3.3Å; Y96-N102 WeakPolarHBondContact CE2-ND2 3.48Å; Y96-N102 PolarHBondContact O-ND2 2.83Å; D99-N102 WeakPolarHBondContact CB-ND2 3.43Å; D99-N102 PolarHBondContact O-N 2.92Å; E100-N102 PolarHBondContact O-N 2.83Å; N102-V105 HydrophobicContact CB-CG2 4.45Å; N102-V105 WeakPolarHBondContact O-CG2 3.32Å
103Y80.9Confident80.7Confident36 Ų3657.8 Ų57.814%0.14131%0.314CS..  trans-90.4143.9-177.8-69.2-95.8000112.2F32 N33 Y34 I36 L97 D99 E100 A101 V105F32-Y103 HydrophobicContact CB-CE1 4.45Å; F32-Y103 WeakPolarHBondContact O-CD1 3.46Å; N33-Y103 VanDerWaalsContact C-CD1 3.48Å; Y34-Y103 AromaticContact CD2-CD2 3.9Å; Y34-Y103 HydrophobicContact CD2-CD2 3.9Å; Y34-Y103 AromaticContact CD2-CE2 3.47Å; Y34-Y103 HydrophobicContact CD2-CE2 3.47Å; Y34-Y103 VanDerWaalsContact CD2-CE2 3.47Å; Y34-Y103 AromaticContact CD2-CZ 3.82Å; Y34-Y103 HydrophobicContact CE2-CE2 4.34Å; Y34-Y103 HydrophobicContact CG-CD2 4.23Å; Y34-Y103 HydrophobicContact CG-CE2 4.23Å; I36-Y103 HydrophobicContact CD1-CE1 3.93Å; I36-Y103 WeakPolarHBondContact CD1-OH 3.4Å; I36-Y103 HydrophobicContact CG1-CE1 3.61Å; I36-Y103 VanDerWaalsContact CG1-OH 3.23Å; I36-Y103 WeakPolarHBondContact CG1-OH 3.48Å; L97-Y103 WeakPolarHBondContact O-CE2 3.05Å; L97-Y103 PolarHBondContact O-OH 3.47Å; D99-Y103 WeakPolarHBondContact O-CD2 3.43Å; D99-Y103 WeakPolarHBondContact O-CE2 3.35Å; E100-Y103 PolarHBondContact O-N 2.88Å; A101-Y103 VanDerWaalsContact C-N 3.31Å; Y103-V105 HydrophobicContact CD1-CB 4.43Å; Y103-V105 HydrophobicContact CD1-CG2 4.03Å; Y103-V105 HydrophobicContact CE1-CG2 4.18Å; Y103-V105 HydrophobicContact CG-CG2 4.25Å
104P82.9Confident81.3Confident92 Ų9260.4 Ų60.460%0.59733%0.328SS*.SBendcis-78.6138.2830.7-34.9000113.9F32F32-P104 WeakPolarHBondContact O-CA 3.44Å
105V83.8Confident81.7Confident0 Ų059 Ų590%032%0.324CS..EExtended strand (participates in β ladder)trans-108.1131.9178.6-178.70000110.1S31 F32 C66 N67 Y96 L97 N102 Y103 L107S31-V105 CarbonylContact C-O 3.59Å; S31-V105 WeakPolarHBondContact CA-O 3.18Å; F32-V105 PolarHBondContact N-O 2.86Å; F32-V105 PolarHBondContact O-N 2.87Å; F32-V105 VanDerWaalsContact O-N 3.1Å; C66-V105 WeakPolarHBondContact SG-CG1 3.5Å; N67-V105 WeakPolarHBondContact OD1-CA 3.37Å; Y96-V105 HydrophobicContact CE1-CG2 4.18Å; L97-V105 HydrophobicContact CD2-CG1 4.18Å; L97-V105 HydrophobicContact CD2-CG2 4.4Å; N102-V105 HydrophobicContact CB-CG2 4.45Å; N102-V105 WeakPolarHBondContact O-CG2 3.32Å; Y103-V105 HydrophobicContact CD1-CB 4.43Å; Y103-V105 HydrophobicContact CD1-CG2 4.03Å; Y103-V105 HydrophobicContact CE1-CG2 4.18Å; Y103-V105 HydrophobicContact CG-CG2 4.25Å; V105-L107 HydrophobicContact CG1-CD2 3.56Å; V105-L107 HydrophobicContact CG1-CG 3.92Å
106L85.3Confident82.1Confident67 Ų6758.3 Ų58.335%0.35132%0.323SS..EExtended strand (participates in β ladder)trans-94.3111.2170-171.9124.5000109.5E29 C66 N67E29-L106 HydrophobicContact CB-CD2 4.46Å; C66-L106 CarbonylContact C-O 3.58Å; C66-L106 WeakPolarHBondContact CA-O 3.45Å; N67-L106 PolarHBondContact N-O 3.26Å; N67-L106 PolarHBondContact OD1-N 3.36Å
107L85.1Confident82.7Confident0 Ų062.2 Ų62.20%035%0.346CS..EExtended strand (participates in β ladder)trans-104.9131.5176.4-61.9-179.3000110I30 F32 I36 L40 V63 C66 L97 V105 F109I30-L107 PolarHBondContact N-O 2.84Å; I30-L107 PolarHBondContact O-N 2.83Å; F32-L107 HydrophobicContact CD2-CB 4.28Å; F32-L107 HydrophobicContact CD2-CD1 4.01Å; F32-L107 HydrophobicContact CD2-CG 4.18Å; F32-L107 HydrophobicContact CE2-CB 4.09Å; F32-L107 HydrophobicContact CE2-CD1 4.11Å; F32-L107 HydrophobicContact CE2-CG 4.4Å; I36-L107 HydrophobicContact CD1-CD1 4.24Å; L40-L107 HydrophobicContact CD1-CD1 4.41Å; V63-L107 HydrophobicContact CG1-CB 4.27Å; V63-L107 HydrophobicContact CG1-CD2 4.02Å; C66-L107 HydrophobicContact CB-CD2 3.99Å; L97-L107 HydrophobicContact CD1-CD1 4.44Å; L97-L107 HydrophobicContact CD2-CD1 4.33Å; L97-L107 HydrophobicContact CD2-CD2 4.27Å; V105-L107 HydrophobicContact CG1-CD2 3.56Å; V105-L107 HydrophobicContact CG1-CG 3.92Å; L107-F109 HydrophobicContact CB-CD2 4.5Å; L107-F109 HydrophobicContact CB-CE2 3.77Å; L107-F109 HydrophobicContact CB-CZ 3.89Å; L107-F109 HydrophobicContact CD1-CZ 4.04Å
108K86.3Confident83.3Confident30 Ų3064 Ų6413%0.1335%0.354CS..EExtended strand (participates in β ladder)trans-102.4119.9172.4-169.9172.3-169.6157.90110.2D27 V28 E29 V63 I64 E65D27-K108 HydrophobicContact CB-CD 4.14Å; D27-K108 HydrophobicContact CB-CG 3.97Å; D27-K108 VanDerWaalsContact CG-CE 3.46Å; D27-K108 WeakPolarHBondContact OD2-CE 3.48Å; D27-K108 IonicContact OD2-NZ 3.36Å; V28-K108 WeakPolarHBondContact O-CA 3.3Å; E29-K108 HydrophobicContact CG-CB 3.93Å; E29-K108 HydrophobicContact CG-CD 3.84Å; E29-K108 HydrophobicContact CG-CG 3.61Å; E29-K108 WeakPolarHBondContact OE1-CD 3.24Å; E29-K108 WeakPolarHBondContact OE1-CE 3.35Å; E29-K108 IonicContact OE1-NZ 3.7Å; E29-K108 PolarHBondContact OE1-NZ 2.85Å; V63-K108 WeakPolarHBondContact CA-O 3.32Å; I64-K108 PolarHBondContact N-O 2.84Å; E65-K108 HydrophobicContact CB-CB 3.87Å; E65-K108 HydrophobicContact CB-CD 4.31Å; E65-K108 HydrophobicContact CG-CB 4.43Å; E65-K108 HydrophobicContact CG-CD 4.12Å; E65-K108 PolarHBondContact O-N 2.88Å; E65-K108 WeakPolarHBondContact OE2-CD 3.29Å; E65-K108 IonicContact OE2-NZ 2.81Å; E65-K108 PolarHBondContact OE2-NZ 2.83Å
109F85.2Confident83.9Confident1 Ų161.5 Ų61.50%0.00433%0.332CS..EExtended strand (participates in β ladder)trans-102.9143.9179.1-58.7-92.3000111.3V28 I30 F32 L38 L40 V49 V57 Y61 V62 V63 L107V28-F109 PolarHBondContact N-O 2.83Å; V28-F109 PolarHBondContact O-N 2.81Å; I30-F109 HydrophobicContact CB-CE2 4.45Å; I30-F109 HydrophobicContact CD1-CD2 4.49Å; I30-F109 HydrophobicContact CD1-CE2 4.35Å; F32-F109 AromaticContact CE2-CE2 3.61Å; F32-F109 HydrophobicContact CE2-CE2 3.61Å; F32-F109 AromaticContact CE2-CZ 3.78Å; F32-F109 HydrophobicContact CE2-CZ 3.78Å; F32-F109 AromaticContact CZ-CE2 3.85Å; F32-F109 HydrophobicContact CZ-CE2 3.85Å; F32-F109 AromaticContact CZ-CZ 3.89Å; F32-F109 HydrophobicContact CZ-CZ 3.89Å; L38-F109 HydrophobicContact CD1-CE1 4.19Å; L38-F109 HydrophobicContact CD1-CE2 4.47Å; L38-F109 HydrophobicContact CD1-CZ 3.78Å; L40-F109 HydrophobicContact CD2-CE1 4.25Å; V49-F109 HydrophobicContact CG2-CD1 3.79Å; V49-F109 HydrophobicContact CG2-CE1 3.59Å; V57-F109 HydrophobicContact CB-CG 4.49Å; V57-F109 HydrophobicContact CG1-CB 4.27Å; V57-F109 HydrophobicContact CG1-CD1 3.85Å; V57-F109 HydrophobicContact CG1-CD2 4.28Å; V57-F109 HydrophobicContact CG1-CE1 4.22Å; V57-F109 HydrophobicContact CG1-CG 3.88Å; V57-F109 HydrophobicContact CG2-CB 3.87Å; V57-F109 HydrophobicContact CG2-CD1 4.49Å; V57-F109 HydrophobicContact CG2-CD2 3.5Å; V57-F109 VanDerWaalsContact CG2-CD2 3.5Å; V57-F109 HydrophobicContact CG2-CE2 4.1Å; V57-F109 HydrophobicContact CG2-CG 3.72Å; Y61-F109 HydrophobicContact CD1-CB 4.01Å; V62-F109 CarbonylContact O-C 3.58Å; V62-F109 WeakPolarHBondContact O-CA 3.43Å; V63-F109 HydrophobicContact CG2-CD1 3.78Å; V63-F109 HydrophobicContact CG2-CE1 3.53Å; V63-F109 HydrophobicContact CG2-CZ 4.36Å; L107-F109 HydrophobicContact CB-CD2 4.5Å; L107-F109 HydrophobicContact CB-CE2 3.77Å; L107-F109 HydrophobicContact CB-CZ 3.89Å; L107-F109 HydrophobicContact CD1-CZ 4.04Å
110W81.8Confident84.4Confident56 Ų5660.1 Ų60.121%0.21232%0.324CS..EExtended strand (participates in β ladder)trans-139.1152.5172.7-17434.6000111.3R24 V62 I64 T113R24-W110 HydrophobicContact CG-CZ2 4.17Å; V62-W110 PolarHBondContact N-O 2.85Å; V62-W110 PolarHBondContact O-N 2.97Å; I64-W110 HydrophobicContact CD1-CB 3.43Å; I64-W110 VanDerWaalsContact CD1-CB 3.43Å; I64-W110 HydrophobicContact CD1-CD2 3.76Å; I64-W110 HydrophobicContact CD1-CE3 3.23Å; I64-W110 HydrophobicContact CD1-CG 3.91Å; I64-W110 HydrophobicContact CD1-CZ3 4.09Å; I64-W110 HydrophobicContact CG1-CB 3.75Å; I64-W110 HydrophobicContact CG1-CE3 4.11Å; W110-T113 HydrophobicContact CH2-CG2 3.93Å; W110-T113 HydrophobicContact CZ2-CG2 3.91Å
111R80.4Confident85.1Confident159 Ų15958 Ų5860%0.632%0.316SS*.PPolyproline II helixtrans-74.2124.9169.9-171.2173.9-179.1151.90108.5A25 T113A25-R111 HydrophobicContact CB-CB 4.48Å; R111-T113 PolarHBondContact O-N 2.9Å
112P78.3Confident85.8Confident49 Ų4957.3 Ų57.332%0.31830%0.298SS..PPolyproline II helixtrans-61132.9-177.722.8-31.6000110.8G60 V62G60-P112 VanDerWaalsContact O-CD 3.24Å; G60-P112 WeakPolarHBondContact O-CD 3.4Å; V62-P112 HydrophobicContact CG2-CB 3.88Å; V62-P112 HydrophobicContact CG2-CG 3.85Å
113T80.8Confident86.5Confident74 Ų7455.5 Ų55.545%0.45429%0.289SS..PPolyproline II helixtrans-74141165.7570000109.3R46 W110 R111 S115R46-T113 PolarHBondContact NH1-O 3.09Å; W110-T113 HydrophobicContact CH2-CG2 3.93Å; W110-T113 HydrophobicContact CZ2-CG2 3.91Å; R111-T113 PolarHBondContact O-N 2.9Å; T113-S115 PolarHBondContact O-N 3.26Å
114L84Confident87.2Confident56 Ų5656 Ų5629%0.29330%0.298SS..PPolyproline II helixtrans-67.6125.6175.4-66.9169.6000109.9E118 K119 L122L114-E118 HydrophobicContact CD2-CB 4.25Å; L114-K119 HydrophobicContact CB-CG 3.98Å; L114-L122 HydrophobicContact CD1-CD1 4Å; L114-L122 HydrophobicContact CD2-CD1 3.99Å
115S86.4Confident87.8Confident40 Ų4056 Ų5628%0.2829%0.291SS..PPolyproline II helixtrans-69.1155.6168.466.40000110.9T113 N117 E118 K119T113-S115 PolarHBondContact O-N 3.26Å; S115-N117 PolarHBondContact O-N 2.87Å; S115-E118 VanDerWaalsContact CB-OE2 3.32Å; S115-E118 WeakPolarHBondContact CB-OE2 2.99Å; S115-E118 PolarHBondContact N-OE2 3.18Å; S115-E118 PolarHBondContact O-N 3.2Å; S115-E118 VanDerWaalsContact O-N 3.08Å; S115-E118 VanDerWaalsContact OG-CD 3.25Å; S115-E118 VanDerWaalsContact OG-CG 3.25Å; S115-E118 WeakPolarHBondContact OG-CG 3.27Å; S115-E118 PolarHBondContact OG-N 2.59Å; S115-E118 PolarHBondContact OG-OE2 2.88Å; S115-K119 WeakPolarHBondContact O-CG 3.36Å; S115-K119 PolarHBondContact O-N 2.81Å
116T88.4Confident88.3Confident79 Ų7956.8 Ų56.849%0.48529%0.294SS..Hα-helixtrans-55.3-37.2175.7-51.20000112.1K119 I120T116-K119 PolarHBondContact O-N 3.27Å; T116-I120 HydrophobicContact CG2-CD1 4.31Å; T116-I120 VanDerWaalsContact O-CG1 3.29Å; T116-I120 WeakPolarHBondContact O-CG1 3.42Å; T116-I120 PolarHBondContact O-N 2.73Å
117N90.6Very high88.7Confident117 Ų11755.6 Ų55.663%0.62629%0.287SS*.Hα-helixtrans-65.4-44.4176.8-69.1-23000111.9S115 K119 I120 I121S115-N117 PolarHBondContact O-N 2.87Å; N117-K119 VanDerWaalsContact C-N 3.3Å; N117-K119 PolarHBondContact O-N 3.49Å; N117-I120 PolarHBondContact O-N 3.17Å; N117-I121 VanDerWaalsContact O-CG1 3.25Å; N117-I121 WeakPolarHBondContact O-CG1 3.43Å; N117-I121 PolarHBondContact O-N 2.97Å
118E90.4Very high89.2Confident54 Ų5458.6 Ų58.625%0.25231%0.308SS..Hα-helixtrans-61.2-40.6175.7-72.1161140.100111L114 S115 I120 I121 L122L114-E118 HydrophobicContact CD2-CB 4.25Å; S115-E118 VanDerWaalsContact CB-OE2 3.32Å; S115-E118 WeakPolarHBondContact CB-OE2 2.99Å; S115-E118 PolarHBondContact N-OE2 3.18Å; S115-E118 PolarHBondContact O-N 3.2Å; S115-E118 VanDerWaalsContact O-N 3.08Å; S115-E118 VanDerWaalsContact OG-CD 3.25Å; S115-E118 VanDerWaalsContact OG-CG 3.25Å; S115-E118 WeakPolarHBondContact OG-CG 3.27Å; S115-E118 PolarHBondContact OG-N 2.59Å; S115-E118 PolarHBondContact OG-OE2 2.88Å; E118-I120 PolarHBondContact O-N 2.87Å; E118-I121 PolarHBondContact O-N 3.19Å; E118-L122 WeakPolarHBondContact O-CB 3.32Å; E118-L122 VanDerWaalsContact O-CG 3.22Å; E118-L122 WeakPolarHBondContact O-CG 3.39Å; E118-L122 PolarHBondContact O-N 2.72Å
119K92.6Very high89.6Confident9 Ų963 Ų634%0.03933%0.327CS..Hα-helixtrans-62.7-40.3175.9-64.7173.3-176-173.20112.7F7 L15 E18 D20 L114 S115 T116 N117 L122 S123F7-K119 HydrophobicContact CE1-CB 4.29Å; F7-K119 HydrophobicContact CE1-CD 4.14Å; F7-K119 HydrophobicContact CE1-CG 4.17Å; L15-K119 HydrophobicContact CD2-CB 3.84Å; E18-K119 HydrophobicContact CB-CD 4.48Å; E18-K119 VanDerWaalsContact CD-NZ 3.35Å; E18-K119 HydrophobicContact CG-CD 4.49Å; E18-K119 WeakPolarHBondContact OE1-CD 3.3Å; E18-K119 IonicContact OE1-NZ 3.83Å; E18-K119 PolarHBondContact OE1-NZ 3.09Å; E18-K119 WeakPolarHBondContact OE2-CD 3.43Å; E18-K119 IonicContact OE2-NZ 2.81Å; D20-K119 WeakPolarHBondContact OD1-CE 3.44Å; D20-K119 IonicContact OD1-NZ 2.59Å; D20-K119 PolarHBondContact OD1-NZ 3.19Å; D20-K119 WeakPolarHBondContact OD2-CE 3.42Å; D20-K119 IonicContact OD2-NZ 3.61Å; D20-K119 PolarHBondContact OD2-NZ 3.14Å; L114-K119 HydrophobicContact CB-CG 3.98Å; S115-K119 WeakPolarHBondContact O-CG 3.36Å; S115-K119 PolarHBondContact O-N 2.81Å; T116-K119 PolarHBondContact O-N 3.27Å; N117-K119 VanDerWaalsContact C-N 3.3Å; N117-K119 PolarHBondContact O-N 3.49Å; K119-L122 PolarHBondContact O-N 2.81Å; K119-S123 WeakPolarHBondContact O-CB 3.42Å; K119-S123 PolarHBondContact O-N 2.8Å; K119-S123 PolarHBondContact O-OG 3.11Å
120I92.8Very high90Very high69 Ų6964 Ų6435%0.35433%0.331SS..Hα-helixtrans-60.4-49.7174.1-69164.2000109.8L15 T116 N117 E118 L122 S123 S124L15-I120 HydrophobicContact CB-CG1 4.27Å; L15-I120 HydrophobicContact CD2-CG1 4.09Å; T116-I120 HydrophobicContact CG2-CD1 4.31Å; T116-I120 VanDerWaalsContact O-CG1 3.29Å; T116-I120 WeakPolarHBondContact O-CG1 3.42Å; T116-I120 PolarHBondContact O-N 2.73Å; N117-I120 PolarHBondContact O-N 3.17Å; E118-I120 PolarHBondContact O-N 2.87Å; I120-L122 PolarHBondContact O-N 3.29Å; I120-S123 WeakPolarHBondContact O-CB 3.23Å; I120-S123 PolarHBondContact O-N 2.88Å; I120-S124 PolarHBondContact O-N 3.14Å; I120-S124 PolarHBondContact O-OG 2.83Å
121I94.2Very high90.5Very high90 Ų9063.1 Ų63.146%0.46234%0.336SS..Hα-helixtrans-62.2-47.1-179.4-58.5165.4000109.8N117 E118 S123 S124 M125N117-I121 VanDerWaalsContact O-CG1 3.25Å; N117-I121 WeakPolarHBondContact O-CG1 3.43Å; N117-I121 PolarHBondContact O-N 2.97Å; E118-I121 PolarHBondContact O-N 3.19Å; I121-S123 VanDerWaalsContact C-N 3.28Å; I121-S123 PolarHBondContact O-N 2.84Å; I121-S124 PolarHBondContact O-N 2.82Å; I121-M125 HydrophobicContact CB-CE 4.37Å; I121-M125 HydrophobicContact CG2-CE 3.23Å; I121-M125 HydrophobicContact CG2-CG 4.34Å; I121-M125 VanDerWaalsContact O-CG 3.31Å; I121-M125 WeakPolarHBondContact O-CG 3.41Å; I121-M125 PolarHBondContact O-N 3.36Å
122L93.5Very high91.1Very high83 Ų8359.3 Ų59.344%0.43533%0.326SS..Hα-helixtrans-58.3-39.1177.3-73.1171.7000112.2L114 E118 K119 I120 M125 F126L114-L122 HydrophobicContact CD1-CD1 4Å; L114-L122 HydrophobicContact CD2-CD1 3.99Å; E118-L122 WeakPolarHBondContact O-CB 3.32Å; E118-L122 VanDerWaalsContact O-CG 3.22Å; E118-L122 WeakPolarHBondContact O-CG 3.39Å; E118-L122 PolarHBondContact O-N 2.72Å; K119-L122 PolarHBondContact O-N 2.81Å; I120-L122 PolarHBondContact O-N 3.29Å; L122-M125 PolarHBondContact O-N 3.42Å; L122-F126 WeakPolarHBondContact O-CB 3.08Å; L122-F126 PolarHBondContact O-N 3.07Å
123S93.6Very high91.8Very high5 Ų559.2 Ų59.24%0.03533%0.327CS..Hα-helixtrans-64.9-44.5176.6-61.70000111.9K119 I120 I121 F126 H127K119-S123 WeakPolarHBondContact O-CB 3.42Å; K119-S123 PolarHBondContact O-N 2.8Å; K119-S123 PolarHBondContact O-OG 3.11Å; I120-S123 WeakPolarHBondContact O-CB 3.23Å; I120-S123 PolarHBondContact O-N 2.88Å; I121-S123 VanDerWaalsContact C-N 3.28Å; I121-S123 PolarHBondContact O-N 2.84Å; S123-F126 PolarHBondContact O-N 3.2Å; S123-H127 PolarHBondContact O-N 3.13Å
124S94.1Very high92.3Very high47 Ų4757.5 Ų57.533%0.32932%0.32SS..Hα-helixtrans-67.8-36.7176.2-59.50000112.6G13 I120 I121 H127 S128G13-S124 WeakPolarHBondContact O-CA 3.4Å; G13-S124 PolarHBondContact O-OG 2.8Å; I120-S124 PolarHBondContact O-N 3.14Å; I120-S124 PolarHBondContact O-OG 2.83Å; I121-S124 PolarHBondContact O-N 2.82Å; S124-H127 PolarHBondContact O-N 2.91Å; S124-S128 PolarHBondContact O-N 3.33Å; S124-S128 PolarHBondContact O-OG 2.8Å
125M95.7Very high92.7Very high91 Ų9162.6 Ų62.645%0.44834%0.342SS..Hα-helixtrans-62-48.2171.7-69.7-168.8-143.900110.9I121 L122 H127 S128 F129I121-M125 HydrophobicContact CB-CE 4.37Å; I121-M125 HydrophobicContact CG2-CE 3.23Å; I121-M125 HydrophobicContact CG2-CG 4.34Å; I121-M125 VanDerWaalsContact O-CG 3.31Å; I121-M125 WeakPolarHBondContact O-CG 3.41Å; I121-M125 PolarHBondContact O-N 3.36Å; L122-M125 PolarHBondContact O-N 3.42Å; M125-H127 VanDerWaalsContact C-N 3.32Å; M125-H127 PolarHBondContact O-N 3.44Å; M125-S128 WeakPolarHBondContact O-CB 3.29Å; M125-S128 PolarHBondContact O-N 2.99Å; M125-S128 VanDerWaalsContact O-N 3.09Å; M125-F129 HydrophobicContact CB-CE2 4.35Å; M125-F129 VanDerWaalsContact O-CD2 3.32Å; M125-F129 WeakPolarHBondContact O-CD2 3.32Å; M125-F129 PolarHBondContact O-N 3.4Å
126F95Very high93Very high17 Ų1767.2 Ų67.28%0.07536%0.363CS..Hα-helixtrans-60.4-42178.4-178.1-89.5000111.9I9 L122 S123 S128 F129 Y130 I145 L155 C157 L167I9-F126 HydrophobicContact CD1-CD1 4.17Å; L122-F126 WeakPolarHBondContact O-CB 3.08Å; L122-F126 PolarHBondContact O-N 3.07Å; S123-F126 PolarHBondContact O-N 3.2Å; F126-S128 PolarHBondContact O-N 2.89Å; F126-F129 PolarHBondContact O-N 2.94Å; F126-Y130 HydrophobicContact CE1-CD2 4.23Å; F126-Y130 HydrophobicContact CZ-CD2 4.45Å; F126-Y130 WeakPolarHBondContact O-CB 2.91Å; F126-Y130 PolarHBondContact O-N 2.76Å; F126-I145 HydrophobicContact CZ-CB 4.48Å; F126-L155 HydrophobicContact CD2-CD1 4.25Å; F126-L155 HydrophobicContact CD2-CD2 4.4Å; F126-L155 HydrophobicContact CE2-CD1 4.12Å; F126-L155 HydrophobicContact CE2-CD2 3.51Å; F126-L155 HydrophobicContact CZ-CD2 3.85Å; F126-C157 HydrophobicContact CE1-CB 4.06Å; F126-C157 HydrophobicContact CZ-CB 3.68Å; F126-L167 HydrophobicContact CB-CD2 4.49Å; F126-L167 HydrophobicContact CD1-CD1 4.15Å; F126-L167 HydrophobicContact CD1-CD2 3.53Å; F126-L167 HydrophobicContact CD1-CG 4.23Å; F126-L167 HydrophobicContact CD2-CD2 4Å; F126-L167 HydrophobicContact CE1-CD1 3.94Å; F126-L167 HydrophobicContact CE1-CD2 3.61Å; F126-L167 HydrophobicContact CE1-CG 3.91Å; F126-L167 HydrophobicContact CE2-CD2 4.09Å; F126-L167 HydrophobicContact CG-CD2 3.72Å; F126-L167 HydrophobicContact CZ-CD2 3.9Å; F126-L167 HydrophobicContact CZ-CG 4.25Å
127H93.5Very high93.2Very high41 Ų4165.1 Ų65.119%0.1935%0.352CS..Hα-helixtrans-55.6-42175.4-176.596.1000111.8R11 G13 S123 S124 M125 A131 K165R11-H127 PolarHBondContact O-CE1 3.1Å; G13-H127 VanDerWaalsContact CA-CG 3.45Å; G13-H127 WeakPolarHBondContact CA-ND1 3.33Å; G13-H127 PolarHBondContact N-ND1 3.45Å; S123-H127 PolarHBondContact O-N 3.13Å; S124-H127 PolarHBondContact O-N 2.91Å; M125-H127 VanDerWaalsContact C-N 3.32Å; M125-H127 PolarHBondContact O-N 3.44Å; H127-A131 PolarHBondContact O-N 2.89Å; H127-K165 PolarHBondContact CE1-NZ 3.21Å; H127-K165 PolarHBondContact ND1-NZ 2.93Å; H127-K165 VanDerWaalsContact ND1-NZ 3.14Å
128S94.7Very high93.3Very high63 Ų6365.6 Ų65.644%0.44136%0.361SS..Hα-helixtrans-68.4-45.6178.2-53.70000111.3S124 M125 F126 Y130 A131 I132S124-S128 PolarHBondContact O-N 3.33Å; S124-S128 PolarHBondContact O-OG 2.8Å; M125-S128 WeakPolarHBondContact O-CB 3.29Å; M125-S128 PolarHBondContact O-N 2.99Å; M125-S128 VanDerWaalsContact O-N 3.09Å; F126-S128 PolarHBondContact O-N 2.89Å; S128-Y130 VanDerWaalsContact C-N 3.32Å; S128-Y130 PolarHBondContact O-N 3.23Å; S128-A131 PolarHBondContact O-N 3.28Å; S128-I132 VanDerWaalsContact O-CG1 3.32Å; S128-I132 WeakPolarHBondContact O-CG1 3.31Å; S128-I132 PolarHBondContact O-N 2.72Å
129F94.6Very high93.5Very high123 Ų12367.4 Ų67.454%0.53938%0.376SS..Hα-helixtrans-60.9-39.2175.4-73.8-50000113M125 F126 A131 I132 S133 I145M125-F129 HydrophobicContact CB-CE2 4.35Å; M125-F129 VanDerWaalsContact O-CD2 3.32Å; M125-F129 WeakPolarHBondContact O-CD2 3.32Å; M125-F129 PolarHBondContact O-N 3.4Å; F126-F129 PolarHBondContact O-N 2.94Å; F129-A131 VanDerWaalsContact C-N 3.31Å; F129-A131 PolarHBondContact O-N 3.26Å; F129-I132 HydrophobicContact CD1-CD1 4.43Å; F129-I132 PolarHBondContact O-N 3.47Å; F129-S133 WeakPolarHBondContact O-CB 3.41Å; F129-S133 PolarHBondContact O-N 3.01Å; F129-I145 HydrophobicContact CB-CD1 4.01Å
130Y94.2Very high93.2Very high23 Ų2372.1 Ų72.19%0.0941%0.407CS..Hα-helixtrans-57.4-45.8175.4-175.7-82.8000111.3F126 S128 S133 A134 G144 I145 Q159 K165F126-Y130 HydrophobicContact CE1-CD2 4.23Å; F126-Y130 HydrophobicContact CZ-CD2 4.45Å; F126-Y130 WeakPolarHBondContact O-CB 2.91Å; F126-Y130 PolarHBondContact O-N 2.76Å; S128-Y130 VanDerWaalsContact C-N 3.32Å; S128-Y130 PolarHBondContact O-N 3.23Å; Y130-S133 PolarHBondContact O-N 2.92Å; Y130-A134 PolarHBondContact O-N 3.33Å; Y130-G144 VanDerWaalsContact CE2-C 3.47Å; Y130-G144 WeakPolarHBondContact O-CA 3.29Å; Y130-G144 PolarHBondContact OH-N 3.41Å; Y130-G144 VanDerWaalsContact OH-N 3.13Å; Y130-I145 HydrophobicContact CD2-CB 4.26Å; Y130-I145 WeakPolarHBondContact CD2-O 3.34Å; Y130-I145 VanDerWaalsContact CE2-O 3.23Å; Y130-I145 WeakPolarHBondContact CE2-O 3.37Å; Y130-Q159 PolarHBondContact OH-OE1 3.33Å; Y130-K165 HydrophobicContact CD1-CD 4.4Å; Y130-K165 HydrophobicContact CD2-CD 4.32Å; Y130-K165 HydrophobicContact CG-CD 4.16Å; Y130-K165 VanDerWaalsContact CG-CE 3.5Å
131A92.4Very high92.7Very high37 Ų3777.1 Ų77.131%0.30644%0.435SS..Hα-helixtrans-68.8-41.6178.700000112.4H127 S128 F129 S133 A134 Q135H127-A131 PolarHBondContact O-N 2.89Å; S128-A131 PolarHBondContact O-N 3.28Å; F129-A131 VanDerWaalsContact C-N 3.31Å; F129-A131 PolarHBondContact O-N 3.26Å; A131-S133 VanDerWaalsContact C-N 3.31Å; A131-S133 PolarHBondContact O-N 3.48Å; A131-A134 PolarHBondContact O-N 3.03Å; A131-Q135 WeakPolarHBondContact O-CG 3.39Å; A131-Q135 PolarHBondContact O-N 3.47Å
132I94.2Very high92.4Very high79 Ų7975.4 Ų75.441%0.40543%0.431SS..Hα-helixtrans-59.7-43.4175.9-68.6165000110.5S128 F129 A134 Q135 L136S128-I132 VanDerWaalsContact O-CG1 3.32Å; S128-I132 WeakPolarHBondContact O-CG1 3.31Å; S128-I132 PolarHBondContact O-N 2.72Å; F129-I132 HydrophobicContact CD1-CD1 4.43Å; F129-I132 PolarHBondContact O-N 3.47Å; I132-A134 VanDerWaalsContact C-N 3.28Å; I132-A134 PolarHBondContact O-N 2.95Å; I132-Q135 PolarHBondContact O-N 3.19Å; I132-Q135 VanDerWaalsContact O-N 3.17Å; I132-L136 HydrophobicContact CG2-CD1 3.52Å; I132-L136 HydrophobicContact CG2-CG 4.07Å; I132-L136 WeakPolarHBondContact O-CB 3.17Å; I132-L136 WeakPolarHBondContact O-CG 3.47Å; I132-L136 PolarHBondContact O-N 3.18Å
133S92.9Very high92Very high46 Ų4673.2 Ų73.232%0.32243%0.428SS..Hα-helixtrans-59.5-38.1176.6179.60000112.7F129 Y130 A131 S137 I145F129-S133 WeakPolarHBondContact O-CB 3.41Å; F129-S133 PolarHBondContact O-N 3.01Å; Y130-S133 PolarHBondContact O-N 2.92Å; A131-S133 VanDerWaalsContact C-N 3.31Å; A131-S133 PolarHBondContact O-N 3.48Å; S133-S137 PolarHBondContact O-N 3.36Å; S133-I145 VanDerWaalsContact CB-CG1 3.41Å
134A91.2Very high91.9Very high38 Ų3873.4 Ų73.431%0.31443%0.431SS..Hα-helixtrans-70.2-37.9177.100000111.7Y130 A131 I132Y130-A134 PolarHBondContact O-N 3.33Å; A131-A134 PolarHBondContact O-N 3.03Å; I132-A134 VanDerWaalsContact C-N 3.28Å; I132-A134 PolarHBondContact O-N 2.95Å
135Q91.1Very high91.9Very high163 Ų16372.6 Ų72.676%0.76242%0.423SS*.Hα-helixtrans-73.1-36.2179.4-69.7178.51600113.4A131 I132 S137A131-Q135 WeakPolarHBondContact O-CG 3.39Å; A131-Q135 PolarHBondContact O-N 3.47Å; I132-Q135 PolarHBondContact O-N 3.19Å; I132-Q135 VanDerWaalsContact O-N 3.17Å; Q135-S137 VanDerWaalsContact C-N 3.25Å; Q135-S137 PolarHBondContact O-N 3.09Å
136L93.6Very high91.7Very high138 Ų13874.7 Ų74.772%0.72343%0.431SS*.THydrogen-bonded Turntrans-82.2-2.5178.8-68178.6000113.1I132I132-L136 HydrophobicContact CG2-CD1 3.52Å; I132-L136 HydrophobicContact CG2-CG 4.07Å; I132-L136 WeakPolarHBondContact O-CB 3.17Å; I132-L136 WeakPolarHBondContact O-CG 3.47Å; I132-L136 PolarHBondContact O-N 3.18Å
137S92.6Very high91.6Very high34 Ų3476.8 Ų76.824%0.23845%0.445CS..  trans-68.6130.6-176.3-170.20000111.5S133 Q135 V139 S142S133-S137 PolarHBondContact O-N 3.36Å; Q135-S137 VanDerWaalsContact C-N 3.25Å; Q135-S137 PolarHBondContact O-N 3.09Å; S137-V139 PolarHBondContact O-N 3.3Å; S137-S142 VanDerWaalsContact CB-CB 3.45Å; S137-S142 WeakPolarHBondContact OG-CB 3.43Å; S137-S142 PolarHBondContact OG-OG 2.87Å
138P93.6Very high91.6Very high128 Ų12877.9 Ų77.983%0.83145%0.452SS*.SBendtrans-75.1-12178.330.2-34.7000113.2
139V93.6Very high91.5Very high92 Ų9281.7 Ų81.756%0.55846%0.463SS*.SBendtrans-104.6128.2-175.9-1780000109.8S137 S142S137-V139 PolarHBondContact O-N 3.3Å; V139-S142 VanDerWaalsContact O-CB 3.32Å; V139-S142 WeakPolarHBondContact O-CB 3.45Å; V139-S142 PolarHBondContact O-N 2.99Å
140P85.8Confident91.3Very high107 Ų10778 Ų7870%0.69545%0.452SS*.THydrogen-bonded Turntrans-61.9144.1175.226.7-34.2000110.8S142P140-S142 VanDerWaalsContact C-N 3.27Å; P140-S142 PolarHBondContact O-N 3.46Å
141N83.5Confident91.1Very high174 Ų17483.2 Ų83.293%0.9349%0.487SS*.THydrogen-bonded Turntrans64.523.7-176.7-52.3-36.1000115.1
142S86.9Confident90.9Very high55 Ų5585.3 Ų85.339%0.38550%0.496SS..  trans-72.3135.6169.5-169.70000110.8S137 V139 P140S137-S142 VanDerWaalsContact CB-CB 3.45Å; S137-S142 WeakPolarHBondContact OG-CB 3.43Å; S137-S142 PolarHBondContact OG-OG 2.87Å; V139-S142 VanDerWaalsContact O-CB 3.32Å; V139-S142 WeakPolarHBondContact O-CB 3.45Å; V139-S142 PolarHBondContact O-N 2.99Å; P140-S142 VanDerWaalsContact C-N 3.27Å; P140-S142 PolarHBondContact O-N 3.46Å
143G86.3Confident90.7Very high37 Ų3785.6 Ų85.638%0.38149%0.493SS..  trans-74.8-174.9169.800000112
144G90.8Very high90.7Very high8 Ų885.8 Ų85.88%0.08249%0.486CS..SBendtrans-81.1-163.7169.100000112.7Y130 Q146Y130-G144 VanDerWaalsContact CE2-C 3.47Å; Y130-G144 WeakPolarHBondContact O-CA 3.29Å; Y130-G144 PolarHBondContact OH-N 3.41Å; Y130-G144 VanDerWaalsContact OH-N 3.13Å; G144-Q146 PolarHBondContact O-N 2.82Å
145I93.1Very high90.8Very high31 Ų3185 Ų8516%0.15948%0.476CS..  trans-61.2117.3-177-54.8172.9000110.5F126 F129 Y130 S133 L148 C157F126-I145 HydrophobicContact CZ-CB 4.48Å; F129-I145 HydrophobicContact CB-CD1 4.01Å; Y130-I145 HydrophobicContact CD2-CB 4.26Å; Y130-I145 WeakPolarHBondContact CD2-O 3.34Å; Y130-I145 VanDerWaalsContact CE2-O 3.23Å; Y130-I145 WeakPolarHBondContact CE2-O 3.37Å; S133-I145 VanDerWaalsContact CB-CG1 3.41Å; I145-L148 HydrophobicContact CG2-CB 4.23Å; I145-C157 WeakPolarHBondContact O-CB 3.44Å
146Q92.5Very high91Very high134 Ų13477.3 Ų77.363%0.62644%0.44SS*.SBendtrans-96.3-38.8173.3-68.9-177.9-12.700112.4G144 Q156 C157G144-Q146 PolarHBondContact O-N 2.82Å; Q146-Q156 CarbonylContact O-C 3.57Å; Q146-Q156 VanDerWaalsContact O-CA 3.31Å; Q146-Q156 WeakPolarHBondContact O-CA 3.42Å; Q146-C157 PolarHBondContact O-N 3.22Å
147V93.2Very high91Very high62 Ų6271.1 Ų71.138%0.37641%0.409SS..EExtended strand (participates in β ladder)trans-137.6131.5-179.1-174.60000108.5R154 L155 Q156V147-R154 HydrophobicContact CG1-CG 4.13Å; V147-L155 CarbonylContact C-O 3.56Å; V147-L155 WeakPolarHBondContact CA-O 3.45Å; V147-Q156 HydrophobicContact CG1-CG 4.25Å; V147-Q156 HydrophobicContact CG2-CG 4.1Å
148L93.4Very high91.1Very high64 Ų6471.8 Ų71.834%0.33541%0.407SS..EExtended strand (participates in β ladder)trans-124.9116.1170.3-175.1160.4000107.3I145 Y153 L155I145-L148 HydrophobicContact CG2-CB 4.23Å; L148-Y153 HydrophobicContact CD2-CE2 4.16Å; L148-L155 HydrophobicContact CB-CB 4.28Å; L148-L155 HydrophobicContact CB-CD2 4.49Å; L148-L155 PolarHBondContact N-O 3.39Å; L148-L155 PolarHBondContact O-N 3.27Å
149E91.9Very high91.2Very high143 Ų14369.5 Ų69.567%0.66839%0.385SS*.EExtended strand (participates in β ladder)trans-108.8134.7-176.6-169173.7179.200110.1
150S91.1Very high91.1Very high45 Ų4565.3 Ų65.332%0.31536%0.361SS..  trans-125.3172.6173.5-170.30000109.2T152 Y153S150-T152 PolarHBondContact O-N 2.97Å; S150-Y153 WeakPolarHBondContact CA-O 3.37Å; S150-Y153 WeakPolarHBondContact CB-O 3.32Å; S150-Y153 PolarHBondContact N-O 3.2Å
151T90Very high91.4Very high133 Ų13369.4 Ų69.482%0.81638%0.376SS*.SBendtrans-66.2-21.5176.253.10000113.1
152T86.9Confident91.7Very high80 Ų8065.3 Ų65.349%0.49136%0.357SS..SBendtrans-117.2-21.4-172.754.40000114.5S150 P172S150-T152 PolarHBondContact O-N 2.97Å; T152-P172 WeakPolarHBondContact O-CD 3.4Å
153Y90.6Very high91.9Very high86 Ų8663 Ų6334%0.33734%0.342SS..  trans-151.2158-179.469.2-91.3000110.9L148 S150 L155 V169 G170L148-Y153 HydrophobicContact CD2-CE2 4.16Å; S150-Y153 WeakPolarHBondContact CA-O 3.37Å; S150-Y153 WeakPolarHBondContact CB-O 3.32Å; S150-Y153 PolarHBondContact N-O 3.2Å; Y153-L155 HydrophobicContact CD2-CB 4.44Å; Y153-L155 HydrophobicContact CE2-CB 4.32Å; Y153-V169 HydrophobicContact CD2-CG1 3.77Å; Y153-V169 HydrophobicContact CG-CG1 4.14Å; Y153-G170 CarbonylContact C-O 3.6Å; Y153-G170 VanDerWaalsContact CA-O 3.29Å; Y153-G170 WeakPolarHBondContact CA-O 3.31Å
154R92.3Very high92.2Very high50 Ų5061.8 Ų61.819%0.18933%0.327CS..EExtended strand (participates in β ladder)trans-120.3128.8169.3-177.3-177.5-179.6-172.2-1.1108.6V147 Q156 V169 G170V147-R154 HydrophobicContact CG1-CG 4.13Å; R154-Q156 HydrophobicContact CG-CG 4.33Å; R154-V169 WeakPolarHBondContact O-CA 3.22Å; R154-G170 PolarHBondContact N-O 3.17Å; R154-G170 PolarHBondContact O-N 3.48Å
155L93.9Very high92.4Very high20 Ų2061.8 Ų61.811%0.10533%0.325CS..EExtended strand (participates in β ladder)trans-106.3127.3173.9-179.2162.9000108.2F126 V147 L148 Y153 C157 L167 A168 V169F126-L155 HydrophobicContact CD2-CD1 4.25Å; F126-L155 HydrophobicContact CD2-CD2 4.4Å; F126-L155 HydrophobicContact CE2-CD1 4.12Å; F126-L155 HydrophobicContact CE2-CD2 3.51Å; F126-L155 HydrophobicContact CZ-CD2 3.85Å; V147-L155 CarbonylContact C-O 3.56Å; V147-L155 WeakPolarHBondContact CA-O 3.45Å; L148-L155 HydrophobicContact CB-CB 4.28Å; L148-L155 HydrophobicContact CB-CD2 4.49Å; L148-L155 PolarHBondContact N-O 3.39Å; L148-L155 PolarHBondContact O-N 3.27Å; Y153-L155 HydrophobicContact CD2-CB 4.44Å; Y153-L155 HydrophobicContact CE2-CB 4.32Å; L155-C157 HydrophobicContact CD2-CB 4.45Å; L155-L167 HydrophobicContact CD1-CD2 4.37Å; L155-L167 HydrophobicContact CD2-CD2 4.34Å; L155-A168 WeakPolarHBondContact CA-O 3.25Å; L155-V169 HydrophobicContact CB-CG2 4.3Å; L155-V169 HydrophobicContact CD1-CG2 4.14Å; L155-V169 HydrophobicContact CG-CG2 4.09Å
156Q94.7Very high92.6Very high2 Ų260.3 Ų60.31%0.00932%0.317CS..EExtended strand (participates in β ladder)trans-118.6142.3171.4-64.8-168.1-92.100110.6Q146 V147 R154 L167 A168 L177 D178 L181Q146-Q156 CarbonylContact O-C 3.57Å; Q146-Q156 VanDerWaalsContact O-CA 3.31Å; Q146-Q156 WeakPolarHBondContact O-CA 3.42Å; V147-Q156 HydrophobicContact CG1-CG 4.25Å; V147-Q156 HydrophobicContact CG2-CG 4.1Å; R154-Q156 HydrophobicContact CG-CG 4.33Å; Q156-L167 WeakPolarHBondContact O-CA 3.32Å; Q156-A168 PolarHBondContact N-O 2.91Å; Q156-A168 PolarHBondContact O-N 3.06Å; Q156-L177 HydrophobicContact CB-CB 4.27Å; Q156-L177 HydrophobicContact CB-CD1 4.37Å; Q156-L177 HydrophobicContact CG-CB 4.48Å; Q156-L177 HydrophobicContact CG-CD1 4.35Å; Q156-D178 PolarHBondContact NE2-OD1 3.25Å; Q156-L181 HydrophobicContact CB-CD1 3.98Å
157C94.9Very high92.7Very high8 Ų854.1 Ų54.15%0.05429%0.288CS..EExtended strand (participates in β ladder)trans-129.3127.6-177.7174.70000110.5F126 I145 Q146 L155 F166 L167F126-C157 HydrophobicContact CE1-CB 4.06Å; F126-C157 HydrophobicContact CZ-CB 3.68Å; I145-C157 WeakPolarHBondContact O-CB 3.44Å; Q146-C157 PolarHBondContact O-N 3.22Å; L155-C157 HydrophobicContact CD2-CB 4.45Å; C157-F166 CarbonylContact C-O 3.6Å; C157-F166 VanDerWaalsContact CA-O 3.3Å; C157-F166 WeakPolarHBondContact CA-O 3.45Å; C157-L167 HydrophobicContact CB-CG 4.24Å
158F94.6Very high92.7Very high49 Ų4951.2 Ų51.222%0.21527%0.271CS..EExtended strand (participates in β ladder)trans-112.5124.9171171.3-111.5000109.1A160 K165 F166 L181 H182 H185F158-A160 HydrophobicContact CE1-CB 4.39Å; F158-K165 CarbonylContact O-C 3.57Å; F158-K165 WeakPolarHBondContact O-CA 3.38Å; F158-F166 HydrophobicContact CB-CB 4.46Å; F158-F166 AromaticContact CD1-CD2 3.79Å; F158-F166 HydrophobicContact CD1-CD2 3.79Å; F158-F166 HydrophobicContact CD1-CG 4.44Å; F158-F166 HydrophobicContact CE1-CD2 4.34Å; F158-F166 PolarHBondContact N-O 3.5Å; F158-F166 PolarHBondContact O-N 3.28Å; F158-L181 HydrophobicContact CB-CB 3.8Å; F158-L181 HydrophobicContact CB-CD1 3.87Å; F158-L181 HydrophobicContact CB-CG 4.37Å; F158-L181 HydrophobicContact CG-CB 4.5Å; F158-H182 AromaticContact CD2-CE1 3.74Å; F158-H182 AromaticContact CE1-ND1 3.98Å; F158-H182 AromaticContact CE2-CE1 3.3Å; F158-H182 WeakPolarHBondContact CE2-CE1 3.42Å; F158-H182 AromaticContact CE2-ND1 3.79Å; F158-H182 AromaticContact CZ-CE1 3.62Å; F158-H182 AromaticContact CZ-ND1 3.65Å; F158-H185 HydrophobicContact CD1-CB 4.45Å; F158-H185 HydrophobicContact CE1-CB 4.01Å
159Q94.4Very high92.7Very high79 Ų7948.8 Ų48.837%0.36926%0.259SS..EExtended strand (participates in β ladder)trans-101.6123.4173.5-177-178.2-1.900109.9Y130 N164 K165Y130-Q159 PolarHBondContact OH-OE1 3.33Å; Q159-N164 WeakPolarHBondContact CA-O 3.33Å; Q159-K165 HydrophobicContact CB-CG 4.39Å; Q159-K165 HydrophobicContact CG-CG 4.26Å
160A92.9Very high92.7Very high5 Ų542 Ų424%0.04123%0.227CC..  trans-75.8158.1171.500000111.7F158 T162 G163 N164 F166F158-A160 HydrophobicContact CE1-CB 4.39Å; A160-T162 PolarHBondContact O-N 3.06Å; A160-T162 VanDerWaalsContact O-N 3.09Å; A160-G163 PolarHBondContact O-N 3.42Å; A160-N164 PolarHBondContact N-O 3.18Å; A160-F166 HydrophobicContact CB-CE2 4.08Å
161L91.5Very high92.6Very high192 Ų19241.5 Ų41.5100%1.00522%0.221SC*.THydrogen-bonded Turntrans-58-25.8178.2-65.7174.5000113.3G163L161-G163 PolarHBondContact O-N 3.44Å
162T90.1Very high92.4Very high88 Ų8837.1 Ų37.154%0.5419%0.194SC..THydrogen-bonded Turntrans-75-12176.155.30000113.6A160A160-T162 PolarHBondContact O-N 3.06Å; A160-T162 VanDerWaalsContact O-N 3.09Å
163G91.6Very high92.3Very high7 Ų738 Ų387%0.07220%0.199CC..SBendtrans100.3-7.2179.700000115.2A160 L161A160-G163 PolarHBondContact O-N 3.42Å; L161-G163 PolarHBondContact O-N 3.44Å
164N92.9Very high91.8Very high11 Ų1134.2 Ų34.26%0.05919%0.186CC..  trans-69139.9174.8-66.6-13.7000110.6I9 Q159 A160 F166 Y188I9-N164 WeakPolarHBondContact O-CA 3.22Å; Q159-N164 WeakPolarHBondContact CA-O 3.33Å; A160-N164 PolarHBondContact N-O 3.18Å; N164-F166 HydrophobicContact CB-CE2 4.15Å; N164-F166 HydrophobicContact CB-CZ 4.45Å; N164-Y188 VanDerWaalsContact ND2-CE1 3.31Å; N164-Y188 WeakPolarHBondContact ND2-CE1 3.36Å; N164-Y188 PolarHBondContact ND2-OH 2.92Å
165K95.1Very high91.4Very high8 Ų833.5 Ų33.54%0.03519%0.188CC..EExtended strand (participates in β ladder)trans-113.4130.4179.9-59.7179.7-178.368.60109.8I8 I9 H127 Y130 F158 Q159 L167I8-K165 WeakPolarHBondContact CA-O 3.2Å; I9-K165 HydrophobicContact CB-CB 4.32Å; I9-K165 PolarHBondContact N-O 2.66Å; I9-K165 PolarHBondContact O-N 3.48Å; H127-K165 PolarHBondContact CE1-NZ 3.21Å; H127-K165 PolarHBondContact ND1-NZ 2.93Å; H127-K165 VanDerWaalsContact ND1-NZ 3.14Å; Y130-K165 HydrophobicContact CD1-CD 4.4Å; Y130-K165 HydrophobicContact CD2-CD 4.32Å; Y130-K165 HydrophobicContact CG-CD 4.16Å; Y130-K165 VanDerWaalsContact CG-CE 3.5Å; F158-K165 CarbonylContact O-C 3.57Å; F158-K165 WeakPolarHBondContact O-CA 3.38Å; Q159-K165 HydrophobicContact CB-CG 4.39Å; Q159-K165 HydrophobicContact CG-CG 4.26Å; K165-L167 HydrophobicContact CB-CD1 3.87Å
166F95.7Very high90.9Very high0 Ų036 Ų360%021%0.205CC..EExtended strand (participates in β ladder)trans-108.4122175.7-60-91.4000107.2I8 C157 F158 A160 N164 L181 L184 H185 Y188I8-F166 HydrophobicContact CB-CD1 4.5Å; I8-F166 HydrophobicContact CD1-CD1 4.05Å; I8-F166 HydrophobicContact CD1-CE1 3.9Å; I8-F166 HydrophobicContact CG1-CD1 3.88Å; I8-F166 HydrophobicContact CG1-CE1 4.14Å; I8-F166 HydrophobicContact CG2-CD1 3.99Å; I8-F166 HydrophobicContact CG2-CE1 3.77Å; I8-F166 HydrophobicContact CG2-CZ 4.31Å; C157-F166 CarbonylContact C-O 3.6Å; C157-F166 VanDerWaalsContact CA-O 3.3Å; C157-F166 WeakPolarHBondContact CA-O 3.45Å; F158-F166 HydrophobicContact CB-CB 4.46Å; F158-F166 AromaticContact CD1-CD2 3.79Å; F158-F166 HydrophobicContact CD1-CD2 3.79Å; F158-F166 HydrophobicContact CD1-CG 4.44Å; F158-F166 HydrophobicContact CE1-CD2 4.34Å; F158-F166 PolarHBondContact N-O 3.5Å; F158-F166 PolarHBondContact O-N 3.28Å; A160-F166 HydrophobicContact CB-CE2 4.08Å; N164-F166 HydrophobicContact CB-CE2 4.15Å; N164-F166 HydrophobicContact CB-CZ 4.45Å; F166-L181 HydrophobicContact CB-CD2 3.87Å; F166-L181 WeakPolarHBondContact O-CD2 3.32Å; F166-L184 HydrophobicContact CB-CD2 4.32Å; F166-L184 HydrophobicContact CD1-CB 4.35Å; F166-L184 HydrophobicContact CD1-CD2 3.78Å; F166-L184 HydrophobicContact CD1-CG 3.81Å; F166-L184 HydrophobicContact CE1-CG 4.35Å; F166-H185 HydrophobicContact CD2-CB 4.32Å; F166-H185 HydrophobicContact CE1-CB 4.31Å; F166-H185 HydrophobicContact CE2-CB 3.96Å; F166-H185 AromaticContact CE2-CD2 3.48Å; F166-H185 VanDerWaalsContact CE2-CD2 3.48Å; F166-H185 WeakPolarHBondContact CE2-CD2 3.26Å; F166-H185 HydrophobicContact CZ-CB 3.95Å; F166-H185 AromaticContact CZ-CD2 3.6Å; F166-Y188 HydrophobicContact CE1-CG 4.09Å; F166-Y188 AromaticContact CZ-CD1 3.99Å; F166-Y188 HydrophobicContact CZ-CD1 3.99Å; F166-Y188 HydrophobicContact CZ-CG 4Å
167L95.3Very high90.5Very high5 Ų536 Ų363%0.02621%0.205CC..EExtended strand (participates in β ladder)trans-117.9138.1-179.6-72.875.3000109.4T6 F7 I9 F126 L155 Q156 C157 K165T6-L167 CarbonylContact C-O 3.57Å; T6-L167 WeakPolarHBondContact CA-O 3.24Å; F7-L167 HydrophobicContact CB-CB 4.24Å; F7-L167 PolarHBondContact N-O 3.42Å; F7-L167 PolarHBondContact O-N 3.48Å; I9-L167 HydrophobicContact CD1-CD1 3.57Å; I9-L167 HydrophobicContact CD1-CD2 4.07Å; I9-L167 HydrophobicContact CD1-CG 4.48Å; I9-L167 HydrophobicContact CG1-CD1 3.98Å; F126-L167 HydrophobicContact CB-CD2 4.49Å; F126-L167 HydrophobicContact CD1-CD1 4.15Å; F126-L167 HydrophobicContact CD1-CD2 3.53Å; F126-L167 HydrophobicContact CD1-CG 4.23Å; F126-L167 HydrophobicContact CD2-CD2 4Å; F126-L167 HydrophobicContact CE1-CD1 3.94Å; F126-L167 HydrophobicContact CE1-CD2 3.61Å; F126-L167 HydrophobicContact CE1-CG 3.91Å; F126-L167 HydrophobicContact CE2-CD2 4.09Å; F126-L167 HydrophobicContact CG-CD2 3.72Å; F126-L167 HydrophobicContact CZ-CD2 3.9Å; F126-L167 HydrophobicContact CZ-CG 4.25Å; L155-L167 HydrophobicContact CD1-CD2 4.37Å; L155-L167 HydrophobicContact CD2-CD2 4.34Å; Q156-L167 WeakPolarHBondContact O-CA 3.32Å; C157-L167 HydrophobicContact CB-CG 4.24Å; K165-L167 HydrophobicContact CB-CD1 3.87Å
168A94Very high90.3Very high0 Ų039.1 Ų39.10%022%0.221CC..EExtended strand (participates in β ladder)trans-130.2134.216900000108.8Y5 L155 Q156 L177 L180 L181Y5-A168 CarbonylContact O-C 3.56Å; Y5-A168 WeakPolarHBondContact O-CA 3.25Å; L155-A168 WeakPolarHBondContact CA-O 3.25Å; Q156-A168 PolarHBondContact N-O 2.91Å; Q156-A168 PolarHBondContact O-N 3.06Å; A168-L177 HydrophobicContact CB-CB 4.27Å; A168-L177 HydrophobicContact CB-CD1 3.8Å; A168-L177 HydrophobicContact CB-CG 4.49Å; A168-L180 HydrophobicContact CB-CD2 4.21Å; A168-L181 HydrophobicContact CB-CD2 3.77Å; A168-L181 HydrophobicContact CB-CG 4.38Å
169V93.1Very high90.1Very high14 Ų1441 Ų419%0.08523%0.231CC..EExtended strand (participates in β ladder)trans-113.5125.8175.8-174.40000107.1V3 Y4 Y5 F7 Y153 R154 L155V3-V169 CarbonylContact C-O 3.59Å; Y4-V169 HydrophobicContact CD2-CG1 4.28Å; Y4-V169 PolarHBondContact N-O 3.35Å; Y5-V169 HydrophobicContact CD2-CB 4.34Å; Y5-V169 PolarHBondContact N-O 3.36Å; Y5-V169 PolarHBondContact O-N 3.31Å; F7-V169 HydrophobicContact CE2-CG2 4.48Å; Y153-V169 HydrophobicContact CD2-CG1 3.77Å; Y153-V169 HydrophobicContact CG-CG1 4.14Å; R154-V169 WeakPolarHBondContact O-CA 3.22Å; L155-V169 HydrophobicContact CB-CG2 4.3Å; L155-V169 HydrophobicContact CD1-CG2 4.14Å; L155-V169 HydrophobicContact CG-CG2 4.09Å
170G90.9Very high90Very high0 Ų037.4 Ų37.40%021%0.214CC..EExtended strand (participates in β ladder)trans-141.4179.5177.800000112.3T2 Y153 R154T2-G170 WeakPolarHBondContact O-CA 3.27Å; Y153-G170 CarbonylContact C-O 3.6Å; Y153-G170 VanDerWaalsContact CA-O 3.29Å; Y153-G170 WeakPolarHBondContact CA-O 3.31Å; R154-G170 PolarHBondContact N-O 3.17Å; R154-G170 PolarHBondContact O-N 3.48Å
171D88.6Confident90Very high35 Ų3537.1 Ų37.119%0.18721%0.212CC..  trans-57.7139.1169.9-175.9-26000110.3T2 Y4 T173 C174T2-D171 PolarHBondContact O-N 3.46Å; T2-D171 VanDerWaalsContact O-N 3.11Å; Y4-D171 HydrophobicContact CE2-CB 4.46Å; D171-T173 PolarHBondContact O-N 3.37Å; D171-T173 VanDerWaalsContact O-N 3.1Å; D171-T173 PolarHBondContact OD1-N 3.28Å; D171-T173 PolarHBondContact OD1-OG1 3.24Å; D171-T173 PolarHBondContact OD2-OG1 2.86Å; D171-T173 VanDerWaalsContact OD2-OG1 3.07Å; D171-C174 VanDerWaalsContact O-CB 3.24Å; D171-C174 WeakPolarHBondContact O-CB 3.4Å; D171-C174 PolarHBondContact O-N 3.08Å
172P86.5Confident90.1Very high40 Ų4032.4 Ų32.426%0.2618%0.184SC..THydrogen-bonded Turntrans-54.6-25.9174.223.8-36.8000113.6T152 C174T152-P172 WeakPolarHBondContact O-CD 3.4Å; P172-C174 VanDerWaalsContact C-N 3.27Å; P172-C174 PolarHBondContact O-N 2.71Å
173T84.5Confident90.3Very high98 Ų9831 Ų3160%0.60117%0.171SC*.THydrogen-bonded Turntrans-77.7-8.5176.964.90000114D171D171-T173 PolarHBondContact O-N 3.37Å; D171-T173 VanDerWaalsContact O-N 3.1Å; D171-T173 PolarHBondContact OD1-N 3.28Å; D171-T173 PolarHBondContact OD1-OG1 3.24Å; D171-T173 PolarHBondContact OD2-OG1 2.86Å; D171-T173 VanDerWaalsContact OD2-OG1 3.07Å
174C80.4Confident90.4Very high7 Ų730.9 Ų30.95%0.04717%0.168CC..SBendtrans-65.6144.4179.5-80.30000111.8D171 P172D171-C174 VanDerWaalsContact O-CB 3.24Å; D171-C174 WeakPolarHBondContact O-CB 3.4Å; D171-C174 PolarHBondContact O-N 3.08Å; P172-C174 VanDerWaalsContact C-N 3.27Å; P172-C174 PolarHBondContact O-N 2.71Å
175P83.3Confident90.5Very high36 Ų3632.9 Ų32.923%0.23418%0.177CC..PPolyproline II helixtrans-61.6162.6170.525-28.9000110.5L177 F220 G224P175-L177 PolarHBondContact O-N 2.99Å; P175-L177 VanDerWaalsContact O-N 3.09Å; P175-F220 HydrophobicContact CG-CE1 4.3Å; P175-F220 HydrophobicContact CG-CZ 3.88Å; P175-G224 WeakPolarHBondContact CG-O 3.2Å
176P83.8Confident90.4Very high73 Ų7337.1 Ų37.147%0.47420%0.197SC..PPolyproline II helixtrans-51120.1178.8-25.633.9000112.1D178P176-D178 PolarHBondContact O-N 3.42Å
177L87.6Confident90.3Very high2 Ų238.6 Ų38.61%0.0121%0.205CC..THydrogen-bonded Turntrans-72.81.3179-57.2168.9000112.2V3 Q156 A168 P175 Q179 L180 L181 F220V3-L177 HydrophobicContact CG2-CD2 4.15Å; Q156-L177 HydrophobicContact CB-CB 4.27Å; Q156-L177 HydrophobicContact CB-CD1 4.37Å; Q156-L177 HydrophobicContact CG-CB 4.48Å; Q156-L177 HydrophobicContact CG-CD1 4.35Å; A168-L177 HydrophobicContact CB-CB 4.27Å; A168-L177 HydrophobicContact CB-CD1 3.8Å; A168-L177 HydrophobicContact CB-CG 4.49Å; P175-L177 PolarHBondContact O-N 2.99Å; P175-L177 VanDerWaalsContact O-N 3.09Å; L177-Q179 VanDerWaalsContact C-N 3.29Å; L177-Q179 PolarHBondContact O-N 3.24Å; L177-L180 HydrophobicContact CD2-CD2 4.06Å; L177-L180 WeakPolarHBondContact O-CA 3.09Å; L177-L180 WeakPolarHBondContact O-CB 3.18Å; L177-L180 PolarHBondContact O-N 2.82Å; L177-L181 WeakPolarHBondContact O-CG 3.06Å; L177-L181 PolarHBondContact O-N 3.43Å; L177-F220 HydrophobicContact CD2-CD1 4.34Å; L177-F220 HydrophobicContact CD2-CE1 3.47Å; L177-F220 VanDerWaalsContact CD2-CE1 3.47Å; L177-F220 HydrophobicContact CD2-CZ 3.72Å
178D90.1Very high90.3Very high73 Ų7338.4 Ų38.439%0.3920%0.204SC..Hα-helixtrans-58.2-41.6-177.3-57.1-41.8000111.6Q156 P176 L180 L181 H182Q156-D178 PolarHBondContact NE2-OD1 3.25Å; P176-D178 PolarHBondContact O-N 3.42Å; D178-L180 VanDerWaalsContact C-N 3.35Å; D178-L180 PolarHBondContact O-N 2.84Å; D178-L181 PolarHBondContact O-N 3.36Å; D178-H182 PolarHBondContact O-CD2 3.49Å; D178-H182 PolarHBondContact O-N 2.8Å
179Q90.5Very high90.1Very high88 Ų8840 Ų4041%0.41122%0.215SC..Hα-helixtrans-62.3-42.2175.3-67.6-177.9-3.500112L177 L181 H182 K183 L226L177-Q179 VanDerWaalsContact C-N 3.29Å; L177-Q179 PolarHBondContact O-N 3.24Å; Q179-L181 VanDerWaalsContact C-N 3.34Å; Q179-H182 PolarHBondContact O-N 3.34Å; Q179-K183 WeakPolarHBondContact O-CB 3.43Å; Q179-K183 WeakPolarHBondContact O-CG 3.35Å; Q179-K183 PolarHBondContact O-N 2.88Å; Q179-L226 HydrophobicContact CB-CD1 4.4Å
180L92Very high90Very high3 Ų342.9 Ų42.92%0.01623%0.23CC..Hα-helixtrans-61.5-45.3176.9178.169.2000110.3V3 A168 L177 D178 K183 L184 L216 V217 F220 L226V3-L180 HydrophobicContact CG1-CD2 4.34Å; V3-L180 HydrophobicContact CG2-CD2 4.04Å; A168-L180 HydrophobicContact CB-CD2 4.21Å; L177-L180 HydrophobicContact CD2-CD2 4.06Å; L177-L180 WeakPolarHBondContact O-CA 3.09Å; L177-L180 WeakPolarHBondContact O-CB 3.18Å; L177-L180 PolarHBondContact O-N 2.82Å; D178-L180 VanDerWaalsContact C-N 3.35Å; D178-L180 PolarHBondContact O-N 2.84Å; L180-K183 PolarHBondContact O-N 2.74Å; L180-L184 WeakPolarHBondContact O-CB 3.43Å; L180-L184 PolarHBondContact O-N 2.95Å; L180-L216 HydrophobicContact CD1-CD1 4.45Å; L180-L216 HydrophobicContact CD1-CD2 3.83Å; L180-L216 HydrophobicContact CD1-CG 3.67Å; L180-V217 HydrophobicContact CD1-CG2 4.43Å; L180-F220 HydrophobicContact CB-CD2 4.06Å; L180-F220 HydrophobicContact CB-CE2 4.21Å; L180-F220 HydrophobicContact CB-CG 4.45Å; L180-F220 HydrophobicContact CD1-CB 4.16Å; L180-F220 HydrophobicContact CD1-CG 4.35Å; L180-F220 HydrophobicContact CD2-CD1 4.48Å; L180-L226 HydrophobicContact CB-CD1 4.32Å; L180-L226 HydrophobicContact CD1-CD1 4.35Å
181L93.7Very high90Very high0 Ų046.5 Ų46.50%024%0.244CC..Hα-helixtrans-66-40.6179.7-66.6174.1000112.6Q156 F158 F166 A168 L177 D178 Q179 L184 H185Q156-L181 HydrophobicContact CB-CD1 3.98Å; F158-L181 HydrophobicContact CB-CB 3.8Å; F158-L181 HydrophobicContact CB-CD1 3.87Å; F158-L181 HydrophobicContact CB-CG 4.37Å; F158-L181 HydrophobicContact CG-CB 4.5Å; F166-L181 HydrophobicContact CB-CD2 3.87Å; F166-L181 WeakPolarHBondContact O-CD2 3.32Å; A168-L181 HydrophobicContact CB-CD2 3.77Å; A168-L181 HydrophobicContact CB-CG 4.38Å; L177-L181 WeakPolarHBondContact O-CG 3.06Å; L177-L181 PolarHBondContact O-N 3.43Å; D178-L181 PolarHBondContact O-N 3.36Å; Q179-L181 VanDerWaalsContact C-N 3.34Å; L181-L184 WeakPolarHBondContact O-CB 3.36Å; L181-L184 PolarHBondContact O-N 3.32Å; L181-H185 PolarHBondContact O-N 2.87Å
182H93.1Very high89.8Confident92 Ų9245 Ų4543%0.42624%0.236SC..Hα-helixtrans-65-43174.6-76.4-60.4000112F158 D178 Q179 L184 H185 E186F158-H182 AromaticContact CD2-CE1 3.74Å; F158-H182 AromaticContact CE1-ND1 3.98Å; F158-H182 AromaticContact CE2-CE1 3.3Å; F158-H182 WeakPolarHBondContact CE2-CE1 3.42Å; F158-H182 AromaticContact CE2-ND1 3.79Å; F158-H182 AromaticContact CZ-CE1 3.62Å; F158-H182 AromaticContact CZ-ND1 3.65Å; D178-H182 PolarHBondContact O-CD2 3.49Å; D178-H182 PolarHBondContact O-N 2.8Å; Q179-H182 PolarHBondContact O-N 3.34Å; H182-L184 VanDerWaalsContact C-N 3.33Å; H182-L184 PolarHBondContact O-N 2.93Å; H182-H185 WeakPolarHBondContact O-CB 3.2Å; H182-H185 PolarHBondContact O-N 3.14Å; H182-E186 PolarHBondContact O-N 3.24Å
183K93.3Very high89.8Confident60 Ų6047.6 Ų47.626%0.26125%0.248SC..Hα-helixtrans-64.7-37.2174.1-72.9-63.7178.5-170.30112.3Q179 L180 H185 E186 L187 L216 L226Q179-K183 WeakPolarHBondContact O-CB 3.43Å; Q179-K183 WeakPolarHBondContact O-CG 3.35Å; Q179-K183 PolarHBondContact O-N 2.88Å; L180-K183 PolarHBondContact O-N 2.74Å; K183-H185 VanDerWaalsContact C-N 3.3Å; K183-H185 PolarHBondContact O-N 3.49Å; K183-E186 VanDerWaalsContact CD-OE2 3.22Å; K183-E186 WeakPolarHBondContact CD-OE2 3.44Å; K183-E186 IonicContact NZ-OE1 2.78Å; K183-E186 IonicContact NZ-OE2 2.73Å; K183-E186 PolarHBondContact NZ-OE2 3.37Å; K183-E186 WeakPolarHBondContact O-CB 3.43Å; K183-E186 PolarHBondContact O-N 3.28Å; K183-L187 WeakPolarHBondContact O-CG 3.39Å; K183-L187 PolarHBondContact O-N 2.91Å; K183-L216 HydrophobicContact CB-CD1 3.73Å; K183-L216 HydrophobicContact CB-CD2 3.74Å; K183-L216 HydrophobicContact CB-CG 4.39Å; K183-L216 HydrophobicContact CG-CD1 4.22Å; K183-L226 HydrophobicContact CG-CD1 4.28Å
184L94.2Very high90Very high3 Ų349.7 Ų49.72%0.01625%0.248CC..Hα-helixtrans-62.3-38.3173.3-172.964.3000111.9T6 I8 F166 L180 L181 H182 L187 Y188 F209 V213 L216T6-L184 HydrophobicContact CG2-CD1 4.45Å; T6-L184 HydrophobicContact CG2-CD2 3.32Å; I8-L184 HydrophobicContact CD1-CD1 4.27Å; I8-L184 HydrophobicContact CD1-CD2 4.3Å; I8-L184 HydrophobicContact CD1-CG 4.18Å; I8-L184 HydrophobicContact CG1-CD2 4.16Å; F166-L184 HydrophobicContact CB-CD2 4.32Å; F166-L184 HydrophobicContact CD1-CB 4.35Å; F166-L184 HydrophobicContact CD1-CD2 3.78Å; F166-L184 HydrophobicContact CD1-CG 3.81Å; F166-L184 HydrophobicContact CE1-CG 4.35Å; L180-L184 WeakPolarHBondContact O-CB 3.43Å; L180-L184 PolarHBondContact O-N 2.95Å; L181-L184 WeakPolarHBondContact O-CB 3.36Å; L181-L184 PolarHBondContact O-N 3.32Å; H182-L184 VanDerWaalsContact C-N 3.33Å; H182-L184 PolarHBondContact O-N 2.93Å; L184-L187 PolarHBondContact O-N 3.18Å; L184-Y188 WeakPolarHBondContact O-CB 3.5Å; L184-Y188 PolarHBondContact O-N 2.92Å; L184-F209 HydrophobicContact CD1-CZ 4.17Å; L184-V213 HydrophobicContact CD1-CG1 4.18Å; L184-V213 HydrophobicContact CD1-CG2 3.56Å; L184-L216 HydrophobicContact CB-CD2 4.49Å
185H94.4Very high90.3Very high53 Ų5353 Ų5325%0.24527%0.265CS..Hα-helixtrans-66.8-37.6173.5174.6-101.6000113F158 F166 L181 H182 K183 Y188 S189F158-H185 HydrophobicContact CD1-CB 4.45Å; F158-H185 HydrophobicContact CE1-CB 4.01Å; F166-H185 HydrophobicContact CD2-CB 4.32Å; F166-H185 HydrophobicContact CE1-CB 4.31Å; F166-H185 HydrophobicContact CE2-CB 3.96Å; F166-H185 AromaticContact CE2-CD2 3.48Å; F166-H185 VanDerWaalsContact CE2-CD2 3.48Å; F166-H185 WeakPolarHBondContact CE2-CD2 3.26Å; F166-H185 HydrophobicContact CZ-CB 3.95Å; F166-H185 AromaticContact CZ-CD2 3.6Å; L181-H185 PolarHBondContact O-N 2.87Å; H182-H185 WeakPolarHBondContact O-CB 3.2Å; H182-H185 PolarHBondContact O-N 3.14Å; K183-H185 VanDerWaalsContact C-N 3.3Å; K183-H185 PolarHBondContact O-N 3.49Å; H185-Y188 PolarHBondContact O-N 2.83Å; H185-S189 WeakPolarHBondContact O-CB 3.45Å; H185-S189 PolarHBondContact O-N 2.95Å; H185-S189 PolarHBondContact O-OG 3.04Å
186E94.3Very high90.4Very high97 Ų9756.5 Ų56.545%0.45329%0.288SS..Hα-helixtrans-60.2-49.7171.2-71.5177.7-173.700110.8H182 K183 Y188 S189 D190H182-E186 PolarHBondContact O-N 3.24Å; K183-E186 VanDerWaalsContact CD-OE2 3.22Å; K183-E186 WeakPolarHBondContact CD-OE2 3.44Å; K183-E186 IonicContact NZ-OE1 2.78Å; K183-E186 IonicContact NZ-OE2 2.73Å; K183-E186 PolarHBondContact NZ-OE2 3.37Å; K183-E186 WeakPolarHBondContact O-CB 3.43Å; K183-E186 PolarHBondContact O-N 3.28Å; E186-Y188 VanDerWaalsContact C-N 3.33Å; E186-Y188 PolarHBondContact O-N 2.87Å; E186-S189 WeakPolarHBondContact O-CB 3.24Å; E186-S189 PolarHBondContact O-N 2.79Å; E186-S189 VanDerWaalsContact O-N 3.12Å; E186-D190 PolarHBondContact O-N 3.31Å
187L93.8Very high90.3Very high31 Ų3161.9 Ų61.916%0.16231%0.305CS..Hα-helixtrans-59.8-43176.7-66.1179000111.8K183 L184 S189 D190 Y191 F209 A212 V213 L216K183-L187 WeakPolarHBondContact O-CG 3.39Å; K183-L187 PolarHBondContact O-N 2.91Å; L184-L187 PolarHBondContact O-N 3.18Å; L187-S189 VanDerWaalsContact C-N 3.28Å; L187-S189 PolarHBondContact O-N 2.94Å; L187-D190 PolarHBondContact O-N 2.93Å; L187-Y191 HydrophobicContact CB-CD2 4.49Å; L187-Y191 HydrophobicContact CD2-CE2 4.06Å; L187-Y191 VanDerWaalsContact O-CD2 3.28Å; L187-Y191 WeakPolarHBondContact O-CD2 3.21Å; L187-Y191 PolarHBondContact O-N 3.48Å; L187-F209 HydrophobicContact CB-CD2 4.23Å; L187-F209 HydrophobicContact CB-CE2 3.82Å; L187-A212 HydrophobicContact CD1-CB 4.04Å; L187-A212 HydrophobicContact CD2-CB 3.91Å; L187-V213 HydrophobicContact CD1-CG2 4.25Å; L187-L216 HydrophobicContact CD1-CB 4.26Å; L187-L216 HydrophobicContact CD1-CD2 3.8Å
188Y93.3Very high90.3Very high2 Ų263.8 Ų63.81%0.00831%0.312CS..Hα-helixtrans-59.3-42.6176.4173.8-98.6000111.2I16 N164 F166 L184 H185 E186 D190 A192 L193 I204I16-Y188 HydrophobicContact CD1-CE2 3.81Å; N164-Y188 VanDerWaalsContact ND2-CE1 3.31Å; N164-Y188 WeakPolarHBondContact ND2-CE1 3.36Å; N164-Y188 PolarHBondContact ND2-OH 2.92Å; F166-Y188 HydrophobicContact CE1-CG 4.09Å; F166-Y188 AromaticContact CZ-CD1 3.99Å; F166-Y188 HydrophobicContact CZ-CD1 3.99Å; F166-Y188 HydrophobicContact CZ-CG 4Å; L184-Y188 WeakPolarHBondContact O-CB 3.5Å; L184-Y188 PolarHBondContact O-N 2.92Å; H185-Y188 PolarHBondContact O-N 2.83Å; E186-Y188 VanDerWaalsContact C-N 3.33Å; E186-Y188 PolarHBondContact O-N 2.87Å; Y188-D190 VanDerWaalsContact C-N 3.33Å; Y188-D190 PolarHBondContact O-N 3.03Å; Y188-A192 HydrophobicContact CD2-CB 3.73Å; Y188-A192 HydrophobicContact CE2-CB 3.53Å; Y188-A192 HydrophobicContact CG-CB 4.35Å; Y188-A192 WeakPolarHBondContact O-CA 3.33Å; Y188-A192 WeakPolarHBondContact O-CB 3.28Å; Y188-A192 PolarHBondContact O-N 3.45Å; Y188-L193 HydrophobicContact CE1-CD1 4.42Å; Y188-L193 HydrophobicContact CE1-CD2 4.13Å; Y188-L193 HydrophobicContact CE1-CG 4.15Å; Y188-L193 PolarHBondContact O-N 3.35Å; Y188-I204 HydrophobicContact CD2-CD1 3.51Å; Y188-I204 HydrophobicContact CE2-CD1 3.62Å; Y188-I204 HydrophobicContact CE2-CG1 4.44Å
189S91.4Very high90.1Very high33 Ų3363.6 Ų63.623%0.23132%0.317CS..Iπ-helixtrans-64.9-38.8177.7-56.50000111.8H185 E186 L187 L193 K194H185-S189 WeakPolarHBondContact O-CB 3.45Å; H185-S189 PolarHBondContact O-N 2.95Å; H185-S189 PolarHBondContact O-OG 3.04Å; E186-S189 WeakPolarHBondContact O-CB 3.24Å; E186-S189 PolarHBondContact O-N 2.79Å; E186-S189 VanDerWaalsContact O-N 3.12Å; L187-S189 VanDerWaalsContact C-N 3.28Å; L187-S189 PolarHBondContact O-N 2.94Å; S189-L193 WeakPolarHBondContact O-CB 3.23Å; S189-L193 PolarHBondContact O-N 2.83Å; S189-K194 PolarHBondContact O-N 3.32Å
190D91.4Very high89.8Confident75 Ų7564 Ų6440%0.40132%0.321SS..Iπ-helixtrans-73-38.6-178.9-81.1-16.2000114E186 L187 Y188 K194E186-D190 PolarHBondContact O-N 3.31Å; L187-D190 PolarHBondContact O-N 2.93Å; Y188-D190 VanDerWaalsContact C-N 3.33Å; Y188-D190 PolarHBondContact O-N 3.03Å; D190-K194 VanDerWaalsContact CG-NZ 3.29Å; D190-K194 VanDerWaalsContact O-CB 3.24Å; D190-K194 WeakPolarHBondContact O-CB 3.38Å; D190-K194 WeakPolarHBondContact O-CD 3.29Å; D190-K194 WeakPolarHBondContact O-CG 3.46Å; D190-K194 WeakPolarHBondContact OD1-CE 3.48Å; D190-K194 IonicContact OD1-NZ 2.66Å; D190-K194 PolarHBondContact OD1-NZ 3.14Å; D190-K194 IonicContact OD2-NZ 3.93Å
191Y89.5Confident89.4Confident76 Ų7669.4 Ų69.430%0.29835%0.35SS..Iπ-helixtrans-99-39.8-175-69-75.4000113.4L187 L208 F209 A212L187-Y191 HydrophobicContact CB-CD2 4.49Å; L187-Y191 HydrophobicContact CD2-CE2 4.06Å; L187-Y191 VanDerWaalsContact O-CD2 3.28Å; L187-Y191 WeakPolarHBondContact O-CD2 3.21Å; L187-Y191 PolarHBondContact O-N 3.48Å; Y191-L208 HydrophobicContact CD1-CB 3.9Å; Y191-L208 HydrophobicContact CE1-CB 3.41Å; Y191-L208 VanDerWaalsContact CE1-CB 3.41Å; Y191-L208 HydrophobicContact CE1-CD1 4.2Å; Y191-L208 HydrophobicContact CE1-CG 4.43Å; Y191-F209 HydrophobicContact CD2-CB 4.22Å; Y191-F209 AromaticContact CD2-CD2 3.81Å; Y191-F209 HydrophobicContact CD2-CD2 3.81Å; Y191-F209 HydrophobicContact CG-CB 3.99Å; Y191-F209 HydrophobicContact CG-CD2 4.16Å; Y191-A212 HydrophobicContact CE2-CB 3.86Å
192A85.1Confident89.1Confident2 Ų274.5 Ų74.52%0.01738%0.375CS..Iπ-helixtrans-84.7-49-177.900000111.5Y188 N195 Y198 I204Y188-A192 HydrophobicContact CD2-CB 3.73Å; Y188-A192 HydrophobicContact CE2-CB 3.53Å; Y188-A192 HydrophobicContact CG-CB 4.35Å; Y188-A192 WeakPolarHBondContact O-CA 3.33Å; Y188-A192 WeakPolarHBondContact O-CB 3.28Å; Y188-A192 PolarHBondContact O-N 3.45Å; A192-N195 PolarHBondContact O-N 3.15Å; A192-Y198 HydrophobicContact CB-CD1 3.97Å; A192-Y198 HydrophobicContact CB-CE1 3.88Å; A192-Y198 HydrophobicContact CB-CG 4.39Å; A192-Y198 WeakPolarHBondContact O-CB 3.38Å; A192-I204 HydrophobicContact CB-CD1 4.45Å
193L86.5Confident88.9Confident95 Ų9572.7 Ų72.750%0.49737%0.372SS..Iπ-helixtrans-78.4-24-174.7-56.5179.9000113.7Y188 S189 N195 L200Y188-L193 HydrophobicContact CE1-CD1 4.42Å; Y188-L193 HydrophobicContact CE1-CD2 4.13Å; Y188-L193 HydrophobicContact CE1-CG 4.15Å; Y188-L193 PolarHBondContact O-N 3.35Å; S189-L193 WeakPolarHBondContact O-CB 3.23Å; S189-L193 PolarHBondContact O-N 2.83Å; L193-N195 PolarHBondContact O-N 2.62Å; L193-L200 HydrophobicContact CD2-CD2 4.23Å
194K88.9Confident88.8Confident142 Ų14270.6 Ų70.662%0.61736%0.363SS*.THydrogen-bonded Turntrans-75-12.9171.8-63.1-172.1-171.5153.60113.2S189 D190 P196S189-K194 PolarHBondContact O-N 3.32Å; D190-K194 VanDerWaalsContact CG-NZ 3.29Å; D190-K194 VanDerWaalsContact O-CB 3.24Å; D190-K194 WeakPolarHBondContact O-CB 3.38Å; D190-K194 WeakPolarHBondContact O-CD 3.29Å; D190-K194 WeakPolarHBondContact O-CG 3.46Å; D190-K194 WeakPolarHBondContact OD1-CE 3.48Å; D190-K194 IonicContact OD1-NZ 2.66Å; D190-K194 PolarHBondContact OD1-NZ 3.14Å; D190-K194 IonicContact OD2-NZ 3.93Å; K194-P196 VanDerWaalsContact O-CD 3.27Å; K194-P196 WeakPolarHBondContact O-CD 3.4Å
195N86.1Confident88.4Confident76 Ų7680.5 Ų80.541%0.40640%0.4SS..  trans-88.6107.2176.7-174.3-12.8000110A192 L193 F197 Y198A192-N195 PolarHBondContact O-N 3.15Å; L193-N195 PolarHBondContact O-N 2.62Å; N195-F197 PolarHBondContact O-N 2.93Å; N195-F197 VanDerWaalsContact O-N 3.1Å; N195-F197 PolarHBondContact OD1-N 3.42Å; N195-F197 VanDerWaalsContact OD1-N 3.12Å; N195-Y198 WeakPolarHBondContact O-CB 3.43Å; N195-Y198 PolarHBondContact O-N 2.84Å
196P84.8Confident88.1Confident110 Ų11080 Ų8071%0.71440%0.402SS*.THydrogen-bonded Turntrans-67-14.2-175.528.8-35.9000113.6K194K194-P196 VanDerWaalsContact O-CD 3.27Å; K194-P196 WeakPolarHBondContact O-CD 3.4Å
197F83.3Confident87.9Confident186 Ų18681.3 Ų81.382%0.81641%0.412SS*.THydrogen-bonded Turntrans-96.7-0.8178-55.1-72.5000112.8N195 S199N195-F197 PolarHBondContact O-N 2.93Å; N195-F197 VanDerWaalsContact O-N 3.1Å; N195-F197 PolarHBondContact OD1-N 3.42Å; N195-F197 VanDerWaalsContact OD1-N 3.12Å; F197-S199 PolarHBondContact O-N 3.47Å
198Y86Confident87.8Confident42 Ų4284.6 Ų84.617%0.16543%0.43CS..  trans-75.2123.8179.5-178.4-103.2000111.1A192 N195 L200 M202 I204A192-Y198 HydrophobicContact CB-CD1 3.97Å; A192-Y198 HydrophobicContact CB-CE1 3.88Å; A192-Y198 HydrophobicContact CB-CG 4.39Å; A192-Y198 WeakPolarHBondContact O-CB 3.38Å; N195-Y198 WeakPolarHBondContact O-CB 3.43Å; N195-Y198 PolarHBondContact O-N 2.84Å; Y198-L200 HydrophobicContact CE1-CD2 4.32Å; Y198-M202 PolarHBondContact OH-O 2.86Å; Y198-I204 HydrophobicContact CE2-CB 4.48Å; Y198-I204 HydrophobicContact CE2-CG1 3.89Å; Y198-I204 WeakPolarHBondContact OH-CG1 3.45Å
199S87.2Confident87.8Confident70 Ų7084.6 Ų84.649%0.4943%0.43SS..  trans-93131.3172.3-64.40000109.7F197 D201 M202F197-S199 PolarHBondContact O-N 3.47Å; S199-D201 PolarHBondContact O-N 3.17Å; S199-D201 VanDerWaalsContact O-N 3.13Å; S199-M202 PolarHBondContact O-N 2.8Å
200L84.5Confident87.9Confident97 Ų9786.1 Ų86.151%0.50844%0.435SS..THydrogen-bonded Turntrans-60.8-26.9-171.7-64.6176.1000114.5L193 Y198L193-L200 HydrophobicContact CD2-CD2 4.23Å; Y198-L200 HydrophobicContact CE1-CD2 4.32Å
201D83.3Confident88Confident116 Ų11687.6 Ų87.662%0.6244%0.44SS*.THydrogen-bonded Turntrans-92.6-4-178.8-61.1-42.2000113.7N10 S199N10-D201 PolarHBondContact ND2-OD1 3.05Å; S199-D201 PolarHBondContact O-N 3.17Å; S199-D201 VanDerWaalsContact O-N 3.13Å
202M87.1Confident88.2Confident106 Ų10684.7 Ų84.752%0.52243%0.432SS..SBendtrans-90.9148.7178.8-66.7-63.3-70.700110.7Y198 S199Y198-M202 PolarHBondContact OH-O 2.86Å; S199-M202 PolarHBondContact O-N 2.8Å
203P89.4Confident88.6Confident55 Ų5584.7 Ų84.736%0.35743%0.431SS..  trans-65.1143.6176.127-34.5000111.5I16 R205I16-P203 CarbonylContact O-C 3.56Å; I16-P203 WeakPolarHBondContact O-CA 3.41Å; P203-R205 PolarHBondContact O-N 3.2Å
204I89.4Confident88.8Confident16 Ų1683.9 Ų83.98%0.08243%0.425CS..  trans-74.3113.3176.4-52.7171.7000108.3I8 I16 Y17 Y188 A192 Y198 C206 F209I8-I204 HydrophobicContact CD1-CD1 4.36Å; I16-I204 HydrophobicContact CD1-CD1 4.4Å; I16-I204 PolarHBondContact O-N 2.99Å; Y17-I204 HydrophobicContact CD2-CB 4.4Å; Y188-I204 HydrophobicContact CD2-CD1 3.51Å; Y188-I204 HydrophobicContact CE2-CD1 3.62Å; Y188-I204 HydrophobicContact CE2-CG1 4.44Å; A192-I204 HydrophobicContact CB-CD1 4.45Å; Y198-I204 HydrophobicContact CE2-CB 4.48Å; Y198-I204 HydrophobicContact CE2-CG1 3.89Å; Y198-I204 WeakPolarHBondContact OH-CG1 3.45Å; I204-C206 HydrophobicContact CG2-CB 4.26Å; I204-F209 HydrophobicContact CB-CD1 4.43Å; I204-F209 HydrophobicContact CD1-CD1 4.43Å; I204-F209 HydrophobicContact CD1-CE1 3.98Å; I204-F209 HydrophobicContact CD1-CZ 4.25Å; I204-F209 HydrophobicContact CG2-CB 4.28Å; I204-F209 HydrophobicContact CG2-CD1 3.68Å; I204-F209 HydrophobicContact CG2-CE1 4.26Å; I204-F209 HydrophobicContact CG2-CG 4.05Å
205R85.9Confident89Confident210 Ų21081.9 Ų81.979%0.79242%0.418SS*.  trans-114.334.6179-61.1-177.7-177.2-178.80.3112.4P203P203-R205 PolarHBondContact O-N 3.2Å
206C88.3Confident89.3Confident43 Ų4379.1 Ų79.129%0.29140%0.403SS..  trans-93.7114.7-179.6-175.50000109.7I204 L208 F209 D210I204-C206 HydrophobicContact CG2-CB 4.26Å; C206-L208 PolarHBondContact O-N 2.91Å; C206-F209 HydrophobicContact CB-CB 3.92Å; C206-F209 WeakPolarHBondContact O-CB 3.43Å; C206-F209 PolarHBondContact O-N 3.4Å; C206-D210 PolarHBondContact O-N 2.8Å; C206-D210 VanDerWaalsContact O-N 3.14Å
207D90.7Very high89.5Confident124 Ų12474 Ų7466%0.66337%0.369SS*.Hα-helixtrans-60-35-179.6-58.1-28.2000112.5F209 D210 Q211D207-F209 VanDerWaalsContact C-N 3.3Å; D207-F209 PolarHBondContact O-N 2.92Å; D207-D210 PolarHBondContact O-N 2.84Å; D207-Q211 WeakPolarHBondContact O-CG 3.28Å; D207-Q211 PolarHBondContact O-N 2.98Å
208L91.8Very high89.7Confident101 Ų10168.6 Ų68.653%0.52935%0.347SS..Hα-helixtrans-65.4-34.8176.3-63.4174.4000112.1Y191 C206 A212Y191-L208 HydrophobicContact CD1-CB 3.9Å; Y191-L208 HydrophobicContact CE1-CB 3.41Å; Y191-L208 VanDerWaalsContact CE1-CB 3.41Å; Y191-L208 HydrophobicContact CE1-CD1 4.2Å; Y191-L208 HydrophobicContact CE1-CG 4.43Å; C206-L208 PolarHBondContact O-N 2.91Å; L208-A212 VanDerWaalsContact O-CB 3.3Å; L208-A212 WeakPolarHBondContact O-CB 3.46Å; L208-A212 PolarHBondContact O-N 3.33Å; L208-A212 VanDerWaalsContact O-N 3.07Å
209F93.1Very high89.8Confident1 Ų174 Ų740%0.00437%0.367CS..Hα-helixtrans-66.5-46.4174.7179.7-105.6000110.3I8 Y17 L184 L187 Y191 I204 C206 D207 Q211 A212 V213I8-F209 HydrophobicContact CD1-CE1 4.11Å; I8-F209 HydrophobicContact CD1-CZ 3.65Å; Y17-F209 AromaticContact CD1-CE1 3.75Å; Y17-F209 HydrophobicContact CD1-CE1 3.75Å; Y17-F209 HydrophobicContact CD1-CZ 4.47Å; Y17-F209 AromaticContact CD2-CD1 3.91Å; Y17-F209 HydrophobicContact CD2-CD1 3.91Å; Y17-F209 AromaticContact CD2-CE1 3.62Å; Y17-F209 HydrophobicContact CD2-CE1 3.62Å; Y17-F209 AromaticContact CE1-CE1 3.8Å; Y17-F209 HydrophobicContact CE1-CE1 3.8Å; Y17-F209 AromaticContact CE2-CD1 3.75Å; Y17-F209 HydrophobicContact CE2-CD1 3.75Å; Y17-F209 AromaticContact CE2-CE1 3.7Å; Y17-F209 HydrophobicContact CE2-CE1 3.7Å; Y17-F209 HydrophobicContact CG-CD1 4.39Å; Y17-F209 AromaticContact CG-CE1 3.64Å; Y17-F209 HydrophobicContact CG-CE1 3.64Å; Y17-F209 AromaticContact CZ-CE1 3.79Å; L184-F209 HydrophobicContact CD1-CZ 4.17Å; L187-F209 HydrophobicContact CB-CD2 4.23Å; L187-F209 HydrophobicContact CB-CE2 3.82Å; Y191-F209 HydrophobicContact CD2-CB 4.22Å; Y191-F209 AromaticContact CD2-CD2 3.81Å; Y191-F209 HydrophobicContact CD2-CD2 3.81Å; Y191-F209 HydrophobicContact CG-CB 3.99Å; Y191-F209 HydrophobicContact CG-CD2 4.16Å; I204-F209 HydrophobicContact CB-CD1 4.43Å; I204-F209 HydrophobicContact CD1-CD1 4.43Å; I204-F209 HydrophobicContact CD1-CE1 3.98Å; I204-F209 HydrophobicContact CD1-CZ 4.25Å; I204-F209 HydrophobicContact CG2-CB 4.28Å; I204-F209 HydrophobicContact CG2-CD1 3.68Å; I204-F209 HydrophobicContact CG2-CE1 4.26Å; I204-F209 HydrophobicContact CG2-CG 4.05Å; C206-F209 HydrophobicContact CB-CB 3.92Å; C206-F209 WeakPolarHBondContact O-CB 3.43Å; C206-F209 PolarHBondContact O-N 3.4Å; D207-F209 VanDerWaalsContact C-N 3.3Å; D207-F209 PolarHBondContact O-N 2.92Å; F209-Q211 PolarHBondContact O-N 3.36Å; F209-A212 PolarHBondContact O-N 2.91Å; F209-A212 VanDerWaalsContact O-N 3.15Å; F209-V213 HydrophobicContact CD1-CG2 4.2Å; F209-V213 HydrophobicContact CD2-CG2 4.35Å; F209-V213 HydrophobicContact CE1-CG2 3.77Å; F209-V213 HydrophobicContact CE2-CG2 3.93Å; F209-V213 HydrophobicContact CG-CG2 4.47Å; F209-V213 HydrophobicContact CZ-CG2 3.62Å; F209-V213 WeakPolarHBondContact O-CG2 3.42Å; F209-V213 PolarHBondContact O-N 3.43Å
210D92.6Very high89.8Confident66 Ų6670.9 Ų70.935%0.35334%0.344SS..Hα-helixtrans-60.9-46.2-179.6-163.341.2000112Y17 C206 D207 A212 V213 Q214Y17-D210 PolarHBondContact OH-OD1 3.06Å; C206-D210 PolarHBondContact O-N 2.8Å; C206-D210 VanDerWaalsContact O-N 3.14Å; D207-D210 PolarHBondContact O-N 2.84Å; D210-A212 VanDerWaalsContact C-N 3.32Å; D210-A212 PolarHBondContact O-N 2.86Å; D210-V213 PolarHBondContact O-N 3.25Å; D210-Q214 WeakPolarHBondContact O-CB 3.45Å; D210-Q214 PolarHBondContact O-N 2.88Å
211Q93.9Very high89.8Confident106 Ų10669 Ų6950%0.49533%0.333SS..Hα-helixtrans-60.5-40.6174.4-70.3175.712.800112.4D207 F209 Q215D207-Q211 WeakPolarHBondContact O-CG 3.28Å; D207-Q211 PolarHBondContact O-N 2.98Å; F209-Q211 PolarHBondContact O-N 3.36Å; Q211-Q215 WeakPolarHBondContact O-CB 3.12Å; Q211-Q215 VanDerWaalsContact O-CG 3.27Å; Q211-Q215 WeakPolarHBondContact O-CG 3.4Å; Q211-Q215 PolarHBondContact O-N 2.8Å
212A93.7Very high89.7Confident15 Ų1571.6 Ų71.612%0.12434%0.339CS..Hα-helixtrans-68-3917900000112.1L187 Y191 L208 F209 D210 L216L187-A212 HydrophobicContact CD1-CB 4.04Å; L187-A212 HydrophobicContact CD2-CB 3.91Å; Y191-A212 HydrophobicContact CE2-CB 3.86Å; L208-A212 VanDerWaalsContact O-CB 3.3Å; L208-A212 WeakPolarHBondContact O-CB 3.46Å; L208-A212 PolarHBondContact O-N 3.33Å; L208-A212 VanDerWaalsContact O-N 3.07Å; F209-A212 PolarHBondContact O-N 2.91Å; F209-A212 VanDerWaalsContact O-N 3.15Å; D210-A212 VanDerWaalsContact C-N 3.32Å; D210-A212 PolarHBondContact O-N 2.86Å; A212-L216 VanDerWaalsContact O-CB 3.29Å; A212-L216 WeakPolarHBondContact O-CB 3.27Å; A212-L216 PolarHBondContact O-N 3.02Å
213V93.4Very high88.9Confident1 Ų169.9 Ų69.91%0.00634%0.337CS..Hα-helixtrans-65.9-46.6175.1174.40000110.8Y17 Y19 L184 L187 F209 D210 Q215 L216 V217Y17-V213 HydrophobicContact CE1-CB 4.37Å; Y17-V213 HydrophobicContact CE1-CG1 4.02Å; Y17-V213 HydrophobicContact CE1-CG2 4.13Å; Y19-V213 HydrophobicContact CD1-CG1 4.15Å; Y19-V213 HydrophobicContact CG-CG1 4.2Å; L184-V213 HydrophobicContact CD1-CG1 4.18Å; L184-V213 HydrophobicContact CD1-CG2 3.56Å; L187-V213 HydrophobicContact CD1-CG2 4.25Å; F209-V213 HydrophobicContact CD1-CG2 4.2Å; F209-V213 HydrophobicContact CD2-CG2 4.35Å; F209-V213 HydrophobicContact CE1-CG2 3.77Å; F209-V213 HydrophobicContact CE2-CG2 3.93Å; F209-V213 HydrophobicContact CG-CG2 4.47Å; F209-V213 HydrophobicContact CZ-CG2 3.62Å; F209-V213 WeakPolarHBondContact O-CG2 3.42Å; F209-V213 PolarHBondContact O-N 3.43Å; D210-V213 PolarHBondContact O-N 3.25Å; V213-Q215 PolarHBondContact O-N 3.1Å; V213-L216 WeakPolarHBondContact O-CB 3.27Å; V213-L216 PolarHBondContact O-N 3.24Å; V213-L216 VanDerWaalsContact O-N 3.12Å; V213-V217 HydrophobicContact CG1-CG2 4.31Å; V213-V217 WeakPolarHBondContact O-CG2 3.3Å; V213-V217 PolarHBondContact O-N 2.93Å
214Q92.3Very high87.8Confident79 Ų7967.8 Ų67.837%0.36933%0.325SS..Hα-helixtrans-56.1-49.5175.7172.3170.43.600111.3Y19 D210 L216 V217 E218Y19-Q214 HydrophobicContact CE2-CB 4.18Å; Y19-Q214 WeakPolarHBondContact OH-CG 3.2Å; D210-Q214 WeakPolarHBondContact O-CB 3.45Å; D210-Q214 PolarHBondContact O-N 2.88Å; Q214-L216 VanDerWaalsContact C-N 3.28Å; Q214-L216 PolarHBondContact O-N 2.88Å; Q214-V217 PolarHBondContact O-N 3.36Å; Q214-E218 HydrophobicContact CG-CG 4.41Å; Q214-E218 WeakPolarHBondContact CG-OE1 3.45Å; Q214-E218 PolarHBondContact NE2-OE1 2.91Å; Q214-E218 WeakPolarHBondContact O-CB 3.39Å; Q214-E218 WeakPolarHBondContact O-CG 3.4Å; Q214-E218 PolarHBondContact O-N 2.85Å
215Q92.5Very high86.5Confident99 Ų9970.6 Ų70.646%0.46334%0.343SS..Hα-helixtrans-61.8-36.6177.5-72.6177.521.400112.6Q211 V213 R219Q211-Q215 WeakPolarHBondContact O-CB 3.12Å; Q211-Q215 VanDerWaalsContact O-CG 3.27Å; Q211-Q215 WeakPolarHBondContact O-CG 3.4Å; Q211-Q215 PolarHBondContact O-N 2.8Å; V213-Q215 PolarHBondContact O-N 3.1Å; Q215-R219 WeakPolarHBondContact O-CB 3.42Å; Q215-R219 WeakPolarHBondContact O-CG 3.05Å; Q215-R219 PolarHBondContact O-N 3.33Å
216L91.8Very high85.3Confident19 Ų1961.5 Ų61.510%0.09931%0.31CS..Hα-helixtrans-65.1-46.7177.6179.167.6000111.2L180 K183 L184 L187 A212 V213 Q214 R219 F220 L226L180-L216 HydrophobicContact CD1-CD1 4.45Å; L180-L216 HydrophobicContact CD1-CD2 3.83Å; L180-L216 HydrophobicContact CD1-CG 3.67Å; K183-L216 HydrophobicContact CB-CD1 3.73Å; K183-L216 HydrophobicContact CB-CD2 3.74Å; K183-L216 HydrophobicContact CB-CG 4.39Å; K183-L216 HydrophobicContact CG-CD1 4.22Å; L184-L216 HydrophobicContact CB-CD2 4.49Å; L187-L216 HydrophobicContact CD1-CB 4.26Å; L187-L216 HydrophobicContact CD1-CD2 3.8Å; A212-L216 VanDerWaalsContact O-CB 3.29Å; A212-L216 WeakPolarHBondContact O-CB 3.27Å; A212-L216 PolarHBondContact O-N 3.02Å; V213-L216 WeakPolarHBondContact O-CB 3.27Å; V213-L216 PolarHBondContact O-N 3.24Å; V213-L216 VanDerWaalsContact O-N 3.12Å; Q214-L216 VanDerWaalsContact C-N 3.28Å; Q214-L216 PolarHBondContact O-N 2.88Å; L216-R219 PolarHBondContact O-N 2.82Å; L216-F220 PolarHBondContact O-N 3.25Å; L216-L226 HydrophobicContact CD1-CD1 3.83Å; L216-L226 HydrophobicContact CD1-CD2 3.74Å; L216-L226 HydrophobicContact CD1-CG 4.45Å
217V89.9Confident83.3Confident1 Ų167.1 Ų67.11%0.00634%0.337CS..Hα-helixtrans-64.5-47.7178.1174.90000110.5V3 Y19 L180 V213 Q214 R219 F220 E221V3-V217 HydrophobicContact CB-CG1 4.02Å; V3-V217 HydrophobicContact CG2-CG1 4.41Å; Y19-V217 HydrophobicContact CD1-CG2 4.12Å; Y19-V217 HydrophobicContact CE1-CB 4.06Å; Y19-V217 HydrophobicContact CE1-CG1 4.2Å; Y19-V217 HydrophobicContact CE1-CG2 3.93Å; L180-V217 HydrophobicContact CD1-CG2 4.43Å; V213-V217 HydrophobicContact CG1-CG2 4.31Å; V213-V217 WeakPolarHBondContact O-CG2 3.3Å; V213-V217 PolarHBondContact O-N 2.93Å; Q214-V217 PolarHBondContact O-N 3.36Å; V217-R219 VanDerWaalsContact C-N 3.28Å; V217-R219 PolarHBondContact O-N 2.73Å; V217-F220 WeakPolarHBondContact O-CB 3.48Å; V217-F220 PolarHBondContact O-N 3.25Å; V217-F220 VanDerWaalsContact O-N 3.1Å; V217-E221 HydrophobicContact CG1-CG 4.4Å; V217-E221 WeakPolarHBondContact O-CG 3.43Å; V217-E221 PolarHBondContact O-N 3.14Å
218E87.7Confident81Confident73 Ų7370.2 Ų70.234%0.34136%0.36SS..Hα-helixtrans-59.8-36.9177.7-74.8-179.3-163.100112.8Q214 K222Q214-E218 HydrophobicContact CG-CG 4.41Å; Q214-E218 WeakPolarHBondContact CG-OE1 3.45Å; Q214-E218 PolarHBondContact NE2-OE1 2.91Å; Q214-E218 WeakPolarHBondContact O-CB 3.39Å; Q214-E218 WeakPolarHBondContact O-CG 3.4Å; Q214-E218 PolarHBondContact O-N 2.85Å; E218-K222 VanDerWaalsContact O-CG 3.29Å; E218-K222 WeakPolarHBondContact O-CG 3.41Å; E218-K222 PolarHBondContact O-N 3.4Å
219R88Confident80.4Confident156 Ų15668.7 Ų68.759%0.58935%0.351SS*.Hα-helixtrans-66.2-46.7174.3-76.4174.2-169.7-172.77.1110.9Q215 L216 V217 E221 K222 S223 L226Q215-R219 WeakPolarHBondContact O-CB 3.42Å; Q215-R219 WeakPolarHBondContact O-CG 3.05Å; Q215-R219 PolarHBondContact O-N 3.33Å; L216-R219 PolarHBondContact O-N 2.82Å; V217-R219 VanDerWaalsContact C-N 3.28Å; V217-R219 PolarHBondContact O-N 2.73Å; R219-E221 VanDerWaalsContact C-N 3.32Å; R219-E221 PolarHBondContact O-N 3.3Å; R219-K222 PolarHBondContact O-N 3.39Å; R219-S223 PolarHBondContact O-N 2.92Å; R219-S223 PolarHBondContact O-OG 3.19Å; R219-L226 HydrophobicContact CB-CD2 4.08Å
220F86.8Confident79.8Confident4 Ų472.3 Ų72.32%0.01837%0.37CS..Hα-helixtrans-60.5-41.6179.4-172.9-91.6000111.8V3 P175 L177 L180 L216 V217 K222 G224 L226V3-F220 HydrophobicContact CG2-CD1 3.94Å; V3-F220 HydrophobicContact CG2-CE1 4.32Å; P175-F220 HydrophobicContact CG-CE1 4.3Å; P175-F220 HydrophobicContact CG-CZ 3.88Å; L177-F220 HydrophobicContact CD2-CD1 4.34Å; L177-F220 HydrophobicContact CD2-CE1 3.47Å; L177-F220 VanDerWaalsContact CD2-CE1 3.47Å; L177-F220 HydrophobicContact CD2-CZ 3.72Å; L180-F220 HydrophobicContact CB-CD2 4.06Å; L180-F220 HydrophobicContact CB-CE2 4.21Å; L180-F220 HydrophobicContact CB-CG 4.45Å; L180-F220 HydrophobicContact CD1-CB 4.16Å; L180-F220 HydrophobicContact CD1-CG 4.35Å; L180-F220 HydrophobicContact CD2-CD1 4.48Å; L216-F220 PolarHBondContact O-N 3.25Å; V217-F220 WeakPolarHBondContact O-CB 3.48Å; V217-F220 PolarHBondContact O-N 3.25Å; V217-F220 VanDerWaalsContact O-N 3.1Å; F220-K222 VanDerWaalsContact C-N 3.35Å; F220-K222 PolarHBondContact O-N 3.27Å; F220-G224 WeakPolarHBondContact O-CA 3.42Å; F220-G224 PolarHBondContact O-N 3.21Å; F220-L226 HydrophobicContact CB-CD1 4.41Å; F220-L226 HydrophobicContact CB-CD2 4.42Å; F220-L226 HydrophobicContact CB-CG 4.36Å; F220-L226 HydrophobicContact CD2-CD1 3.69Å; F220-L226 HydrophobicContact CD2-CG 3.85Å
221E83.7Confident79.1Confident58 Ų5872.6 Ų72.627%0.27137%0.37SS..Hα-helixtrans-65.7-35.4177.5-70.5-171.2151.700113T2 V3 V217 R219T2-E221 VanDerWaalsContact CA-OE1 3.32Å; T2-E221 WeakPolarHBondContact CA-OE1 3.23Å; V3-E221 HydrophobicContact CG2-CG 4.48Å; V3-E221 PolarHBondContact N-OE1 3.35Å; V217-E221 HydrophobicContact CG1-CG 4.4Å; V217-E221 WeakPolarHBondContact O-CG 3.43Å; V217-E221 PolarHBondContact O-N 3.14Å; R219-E221 VanDerWaalsContact C-N 3.32Å; R219-E221 PolarHBondContact O-N 3.3Å
222K82.2Confident78.2Confident171 Ų17170.6 Ų70.674%0.74336%0.363SS*.Hα-helixtrans-75.3-41179.9-74.4171.7-175.4165.90113.3E218 R219 F220E218-K222 VanDerWaalsContact O-CG 3.29Å; E218-K222 WeakPolarHBondContact O-CG 3.41Å; E218-K222 PolarHBondContact O-N 3.4Å; R219-K222 PolarHBondContact O-N 3.39Å; F220-K222 VanDerWaalsContact C-N 3.35Å; F220-K222 PolarHBondContact O-N 3.27Å
223S70.4Confident77.2Confident69 Ų6974.1 Ų74.148%0.48338%0.378SS..Hα-helixtrans-102-19.5-171.660.50000114.2R219 V225R219-S223 PolarHBondContact O-N 2.92Å; R219-S223 PolarHBondContact O-OG 3.19Å; S223-V225 WeakPolarHBondContact CB-O 3.49Å; S223-V225 PolarHBondContact O-N 2.64Å; S223-V225 PolarHBondContact OG-O 2.69Å
224G65.6Low76.1Confident11 Ų1179 Ų7911%0.11340%0.403CS..SBendtrans63.2-6.4-170.700000114.5P175 F220P175-G224 WeakPolarHBondContact CG-O 3.2Å; F220-G224 WeakPolarHBondContact O-CA 3.42Å; F220-G224 PolarHBondContact O-N 3.21Å
225V62.4Low75Confident75 Ų7579 Ų7946%0.45541%0.405SS..SBendtrans-144.7125.6179.2-176.20000107.4S223 L227S223-V225 WeakPolarHBondContact CB-O 3.49Å; S223-V225 PolarHBondContact O-N 2.64Å; S223-V225 PolarHBondContact OG-O 2.69Å; V225-L227 PolarHBondContact O-N 3.38Å
226L59.7Low73.6Confident20 Ų2077.5 Ų77.511%0.10540%0.401CS..  trans-80.5106.3171.3-73.2158.4000107.2Q179 L180 K183 L216 R219 F220 V228Q179-L226 HydrophobicContact CB-CD1 4.4Å; L180-L226 HydrophobicContact CB-CD1 4.32Å; L180-L226 HydrophobicContact CD1-CD1 4.35Å; K183-L226 HydrophobicContact CG-CD1 4.28Å; L216-L226 HydrophobicContact CD1-CD1 3.83Å; L216-L226 HydrophobicContact CD1-CD2 3.74Å; L216-L226 HydrophobicContact CD1-CG 4.45Å; R219-L226 HydrophobicContact CB-CD2 4.08Å; F220-L226 HydrophobicContact CB-CD1 4.41Å; F220-L226 HydrophobicContact CB-CD2 4.42Å; F220-L226 HydrophobicContact CB-CG 4.36Å; F220-L226 HydrophobicContact CD2-CD1 3.69Å; F220-L226 HydrophobicContact CD2-CG 3.85Å; L226-V228 PolarHBondContact O-N 3.49Å
227L47.6Very low72.1Confident161 Ų16182.3 Ų82.384%0.84343%0.426SS*.  trans-61.5128.7169.4-68.4171.5000108.2V225V225-L227 PolarHBondContact O-N 3.38Å
228V41.5Very low70.5Confident189 Ų18989.7 Ų89.7100%1.14546%0.464SS*.  trans-59.30178.6177.70000111L226L226-V228 PolarHBondContact O-N 3.49Å

Retrieved 228 of 228 residues in 157.9 ms (Link to these results)

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