A0A096N381_PAPAN Loading...

Fc receptor like B

AlphaFold DB , UniProt , Accession A0A096N381, Species PAPAN (Papio anubis, Olive baboon), Gene FCRLB, Length 424 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
1M45.6Very low44.1Very low227 Ų227142.8 Ų142.8100%1.11877%0.773SS**  045.40-158.4-178.1-66.500111.4
2W46.3Very low43.4Very low232 Ų232139.1 Ų139.188%0.87977%0.766SS**  trans-142.67.9-173-70.699000114.2
3A44.7Very low43.3Very low91 Ų91137.1 Ų137.175%0.75277%0.768SS**SBendtrans-97.8-13.4-176.900000114.2
4L46.8Very low43.2Very low150 Ų150134.1 Ų134.179%0.78576%0.761SS**SBendtrans-96.3-13.8-176.2-79161.3000113.8
5T48.4Very low43.1Very low93 Ų93129.7 Ų129.757%0.57176%0.757SS**SBendtrans-82-22.8179.641.30000113.5
6A44.1Very low43Very low74 Ų74132 Ų13261%0.61276%0.758SS**G310 helixtrans-75-21.9179.300000113.8
7L41.3Very low43.1Very low140 Ų140129.4 Ų129.473%0.73376%0.756SS**G310 helixtrans-84.4-8.1-175.1-149.572.5000113.8
8L43.3Very low43.6Very low143 Ų143127.4 Ų127.475%0.74976%0.757SS**G310 helixtrans-95.10.4-178-86.4157.9000114.4
9L42.7Very low44.7Very low150 Ų150127.5 Ų127.579%0.78576%0.759SS**SBendtrans-106.47.2-179.6-69.9174.3000114.5
10L42.7Very low46.4Very low143 Ų143123.8 Ų123.875%0.74974%0.735SS**  trans-102.68.7177.3-80.9171.2000114.7S12L10-S12 PolarHBondContact O-N 3.37Å; L10-S12 VanDerWaalsContact O-N 3.16Å
11V39Very low48.3Very low128 Ų128125.2 Ų125.278%0.77673%0.734SS**  trans-87.868.7163-169.50000108.7S13V11-S13 PolarHBondContact O-N 3.42Å
12S36.5Very low50.4Low98 Ų98118.3 Ų118.369%0.68570%0.698SS**  trans-59.1105159.4-70.60000107.1L10 S14L10-S12 PolarHBondContact O-N 3.37Å; L10-S12 VanDerWaalsContact O-N 3.16Å; S12-S14 PolarHBondContact O-N 3.33Å
13S41Very low52.6Low113 Ų113107.4 Ų107.479%0.7966%0.657SS**  trans-70.873.1172.850.90000109.5V11 G15V11-S13 PolarHBondContact O-N 3.42Å; S13-G15 PolarHBondContact O-N 3.09Å
14S43.1Very low54.9Low95 Ų95108.9 Ų108.966%0.66465%0.651SS**  trans-69.861.8160.663.30000109S12 Q16S12-S14 PolarHBondContact O-N 3.33Å; S14-Q16 PolarHBondContact O-N 3.16Å
15G41.2Very low57.3Low68 Ų68102.4 Ų102.470%0.70162%0.617SS**  trans-68.465.1159.400000108.6S13 A17S13-G15 PolarHBondContact O-N 3.09Å; G15-A17 PolarHBondContact O-N 3.38Å
16Q41.9Very low59.5Low167 Ų16799.1 Ų99.178%0.7860%0.598SS**  trans-56.596.3150.4-110.384.910.500105.1S14 A18S14-Q16 PolarHBondContact O-N 3.16Å; Q16-A18 VanDerWaalsContact C-N 3.32Å; Q16-A18 PolarHBondContact O-N 3.15Å
17A43.5Very low62.1Low87 Ų8796 Ų9672%0.71957%0.571SS**  trans-56.5106.7161.500000105.2G15 T19G15-A17 PolarHBondContact O-N 3.38Å; A17-T19 VanDerWaalsContact C-N 3.35Å; A17-T19 PolarHBondContact O-N 2.91Å
18A53.2Low64.7Low94 Ų9495.5 Ų95.578%0.77757%0.565SS**  trans-61.3101.7-179.200000107.2Q16 L20Q16-A18 VanDerWaalsContact C-N 3.32Å; Q16-A18 PolarHBondContact O-N 3.15Å; A18-L20 PolarHBondContact O-N 3.34Å
19T64.3Low67.2Low130 Ų13091.3 Ų91.380%0.79855%0.546SS*.  trans-65.8101.9-179.548.20000107.1A17 E21A17-T19 VanDerWaalsContact C-N 3.35Å; A17-T19 PolarHBondContact O-N 2.91Å; T19-E21 PolarHBondContact O-N 2.96Å
20L78.3Confident69.7Low52 Ų5286.9 Ų86.927%0.27253%0.526SS..PPolyproline II helixtrans-63.6129.1-173.7-161.467.3000108.9A18 Y47 A90 P91A18-L20 PolarHBondContact O-N 3.34Å; L20-Y47 HydrophobicContact CD1-CD1 3.79Å; L20-Y47 HydrophobicContact CD1-CG 3.91Å; L20-Y47 HydrophobicContact CD2-CD1 3.94Å; L20-Y47 HydrophobicContact CD2-CG 4.48Å; L20-Y47 HydrophobicContact CG-CD1 4.49Å; L20-A90 HydrophobicContact CD2-CB 3.93Å; L20-A90 HydrophobicContact CG-CB 4.33Å; L20-P91 WeakPolarHBondContact O-CD 3.5Å
21E86Confident72.3Confident155 Ų15581.7 Ų81.772%0.72450%0.497SS*.PPolyproline II helixtrans-60146.1179.4-80.3-64.5167.700111.4T19T19-E21 PolarHBondContact O-N 2.96Å
22K90.8Very high74.9Confident81 Ų8176.6 Ų76.635%0.35247%0.466SS..PPolyproline II helixtrans-64.9141.9179.170.8-174.5-176.5178.40110.2P91 D94K22-P91 HydrophobicContact CB-CB 4.02Å; K22-P91 HydrophobicContact CB-CG 4.39Å; K22-D94 VanDerWaalsContact CE-OD2 3.31Å; K22-D94 WeakPolarHBondContact CE-OD2 3.33Å; K22-D94 IonicContact NZ-OD1 3.23Å; K22-D94 PolarHBondContact NZ-OD1 3.01Å; K22-D94 IonicContact NZ-OD2 3.9Å; K22-D94 PolarHBondContact NZ-OD2 2.88Å
23P92.5Very high77.8Confident4 Ų472.4 Ų72.43%0.02644%0.436CS..PPolyproline II helixtrans-71.2147.8-179.229.9-31.9000110.9D45 T87 P91 S93P23-D45 CarbonylContact C-O 3.52Å; P23-D45 WeakPolarHBondContact CA-O 3.41Å; P23-D45 WeakPolarHBondContact CB-O 3.28Å; P23-T87 HydrophobicContact CB-CG2 4.07Å; P23-P91 WeakPolarHBondContact CD-O 3.49Å; P23-S93 WeakPolarHBondContact O-CB 3.4Å
24I93.4Very high80.5Confident122 Ų12267.3 Ų67.363%0.62640%0.4SS*.EExtended strand (participates in β ladder)trans-86.4112.6177.2-57.9175.2000107.9D45I24-D45 PolarHBondContact N-O 2.83Å; I24-D45 PolarHBondContact O-N 3.34Å
25L95.3Very high83.1Confident14 Ų1463 Ų637%0.07337%0.369CS..EExtended strand (participates in β ladder)trans-85126.5169.7179.458.1000109.3L42 W61 Y83 C85 I96L25-L42 HydrophobicContact CD1-CB 4.25Å; L25-L42 HydrophobicContact CD1-CD2 4.15Å; L25-W61 HydrophobicContact CD1-CH2 3.65Å; L25-W61 HydrophobicContact CD1-CZ3 3.48Å; L25-W61 VanDerWaalsContact CD1-CZ3 3.48Å; L25-Y83 WeakPolarHBondContact CD2-O 3.46Å; L25-C85 HydrophobicContact CD1-CB 4.44Å; L25-I96 HydrophobicContact CB-CD1 4.49Å; L25-I96 HydrophobicContact CD2-CB 4.15Å; L25-I96 HydrophobicContact CD2-CD1 4.15Å; L25-I96 HydrophobicContact CD2-CG1 3.9Å; L25-I96 HydrophobicContact CG-CD1 3.75Å; L25-I96 HydrophobicContact CG-CG1 4.02Å
26S96.5Very high85.7Confident24 Ų2466.9 Ų66.917%0.16837%0.367CS..EExtended strand (participates in β ladder)trans-122.9150.9178.5600000111.5L42 K43 Y111S26-L42 CarbonylContact O-C 3.53Å; S26-L42 WeakPolarHBondContact O-CA 3.44Å; S26-K43 PolarHBondContact N-O 2.59Å; S26-K43 PolarHBondContact O-N 2.76Å; S26-K43 WeakPolarHBondContact OG-CB 3.07Å; S26-K43 PolarHBondContact OG-O 3.19Å; S26-Y111 WeakPolarHBondContact CA-OH 3.46Å; S26-Y111 WeakPolarHBondContact CB-OH 3.46Å
27L96.8Very high88.1Confident7 Ų762.1 Ų62.14%0.03736%0.362CS..EExtended strand (participates in β ladder)trans-122.8133.2-178.8178.370.1000110P29 P30 W31 V40 L42 I96 L98 Y111L27-P29 CarbonylContact C-O 3.58Å; L27-P29 WeakPolarHBondContact CG-O 3.48Å; L27-P30 WeakPolarHBondContact O-CA 3.5Å; L27-W31 VanDerWaalsContact CD2-O 3.28Å; L27-W31 WeakPolarHBondContact CD2-O 3.47Å; L27-V40 HydrophobicContact CD1-CB 3.84Å; L27-V40 HydrophobicContact CD1-CG2 3.65Å; L27-L42 HydrophobicContact CB-CD2 4.12Å; L27-L42 HydrophobicContact CD1-CD2 3.54Å; L27-L42 HydrophobicContact CD1-CG 4.12Å; L27-L42 HydrophobicContact CG-CD2 4.41Å; L27-I96 HydrophobicContact CB-CD1 3.81Å; L27-I96 HydrophobicContact CD2-CG2 4.1Å; L27-L98 HydrophobicContact CD2-CD1 4.4Å; L27-Y111 HydrophobicContact CB-CD1 3.79Å; L27-Y111 HydrophobicContact CB-CD2 4.4Å; L27-Y111 HydrophobicContact CB-CE1 3.95Å; L27-Y111 HydrophobicContact CB-CG 4.01Å; L27-Y111 HydrophobicContact CD2-CD1 4.39Å; L27-Y111 HydrophobicContact CD2-CG 4.44Å; L27-Y111 WeakPolarHBondContact O-CE1 3.39Å
28H96.7Very high90.6Very high131 Ų13160.4 Ų60.461%0.60634%0.339SS*.EExtended strand (participates in β ladder)trans-131.6126.7177.4-174.384.2000111.6T41H28-T41 PolarHBondContact N-O 3.02Å; H28-T41 PolarHBondContact O-N 2.74Å
29P95.7Very high92.7Very high55 Ų5562.9 Ų62.936%0.35733%0.328SS..SBendcis-59.5161.9-10.9-24.136.7000112.8L27 W31L27-P29 CarbonylContact C-O 3.58Å; L27-P29 WeakPolarHBondContact CG-O 3.48Å; P29-W31 PolarHBondContact O-N 2.9Å
30P95.9Very high94.2Very high56 Ų5657 Ų5736%0.36429%0.292SS..SBendtrans-77.732-166.134.5-39.2000114.9L27 P110 Y111L27-P30 WeakPolarHBondContact O-CA 3.5Å; P30-P110 WeakPolarHBondContact O-CA 3.39Å; P30-Y111 HydrophobicContact CB-CD1 3.89Å; P30-Y111 HydrophobicContact CB-CE1 3.75Å; P30-Y111 WeakPolarHBondContact O-CD1 3.31Å; P30-Y111 PolarHBondContact O-N 3.24Å
31W96.3Very high95.1Very high35 Ų3556.7 Ų56.713%0.13329%0.293CS..BIsolated β-bridgetrans-111.7127.2-170-54.3121.8000112L27 P29 T33 Q108 V109 V121 R123L27-W31 VanDerWaalsContact CD2-O 3.28Å; L27-W31 WeakPolarHBondContact CD2-O 3.47Å; P29-W31 PolarHBondContact O-N 2.9Å; W31-T33 PolarHBondContact O-N 3.28Å; W31-Q108 HydrophobicContact CB-CB 3.87Å; W31-Q108 HydrophobicContact CB-CG 4.12Å; W31-Q108 HydrophobicContact CD2-CB 3.75Å; W31-Q108 HydrophobicContact CE3-CB 3.71Å; W31-Q108 HydrophobicContact CG-CB 3.83Å; W31-Q108 HydrophobicContact CG-CG 4.24Å; W31-Q108 HydrophobicContact CZ3-CB 4.49Å; W31-V109 WeakPolarHBondContact CA-O 3.16Å; W31-V121 HydrophobicContact CH2-CG1 4.26Å; W31-R123 HydrophobicContact CH2-CB 4.15Å; W31-R123 HydrophobicContact CZ2-CB 4.36Å; W31-R123 HydrophobicContact CZ3-CB 4.42Å
32T95.1Very high95.7Very high21 Ų2149.3 Ų49.313%0.12926%0.258CS..SBendtrans-70.5-12.3179.661.30000114.7S99 V109T32-S99 PolarHBondContact O-N 2.9Å; T32-V109 HydrophobicContact CG2-CG2 4.29Å; T32-V109 PolarHBondContact N-O 2.9Å; T32-V109 VanDerWaalsContact N-O 3.11Å; T32-V109 VanDerWaalsContact OG1-CG2 3.3Å; T32-V109 WeakPolarHBondContact OG1-CG2 3.32Å
33T96.9Very high95.9Very high10 Ų1049.7 Ų49.76%0.06126%0.26CS..EExtended strand (participates in β ladder)trans-125.8129.1-173-43.80000110.6W31 S99 I106 L107 Q108W31-T33 PolarHBondContact O-N 3.28Å; T33-S99 WeakPolarHBondContact CA-O 3.31Å; T33-I106 HydrophobicContact CG2-CB 3.97Å; T33-I106 HydrophobicContact CG2-CD1 4.41Å; T33-I106 HydrophobicContact CG2-CG2 4.07Å; T33-L107 WeakPolarHBondContact CB-O 3.34Å; T33-L107 PolarHBondContact OG1-O 2.85Å; T33-L107 VanDerWaalsContact OG1-O 3.07Å; T33-Q108 WeakPolarHBondContact O-CG 3.36Å; T33-Q108 PolarHBondContact O-NE2 3.01Å
34I96.9Very high96Very high5 Ų549.5 Ų49.53%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-131.7164.5177.262.1174.2000111.7E38 V40 L98 S99 V100 S101I34-E38 HydrophobicContact CB-CB 4.37Å; I34-E38 WeakPolarHBondContact CB-OE2 3.18Å; I34-E38 HydrophobicContact CD1-CB 4.45Å; I34-V40 HydrophobicContact CD1-CG1 4.2Å; I34-V40 HydrophobicContact CD1-CG2 4.29Å; I34-V40 HydrophobicContact CG2-CG1 3.61Å; I34-L98 HydrophobicContact CD1-CD1 4.44Å; I34-L98 HydrophobicContact CD1-CD2 4.32Å; I34-L98 HydrophobicContact CG1-CD1 4.46Å; I34-S99 PolarHBondContact N-O 3.07Å; I34-V100 HydrophobicContact CD1-CG2 4.15Å; I34-V100 HydrophobicContact CG1-CB 4.49Å; I34-V100 HydrophobicContact CG1-CG2 3.88Å; I34-V100 WeakPolarHBondContact O-CA 3.3Å; I34-S101 PolarHBondContact O-N 2.93Å
35F97.2Very high95.9Very high5 Ų545.8 Ų45.82%0.02224%0.24CC..EExtended strand (participates in β ladder)trans-81.3151.9169.7-68.2-67.7000110.8G37 E38 S101 D103 I106 R125 G126 W127F35-G37 PolarHBondContact O-N 3.09Å; F35-E38 HydrophobicContact CB-CG 4.15Å; F35-E38 PolarHBondContact N-OE2 2.8Å; F35-E38 WeakPolarHBondContact O-CB 3.26Å; F35-E38 PolarHBondContact O-N 3.42Å; F35-E38 VanDerWaalsContact O-N 3.16Å; F35-S101 CarbonylContact C-O 3.55Å; F35-S101 WeakPolarHBondContact CA-O 3.47Å; F35-D103 VanDerWaalsContact CE1-O 3.24Å; F35-D103 WeakPolarHBondContact CE1-O 3.36Å; F35-I106 HydrophobicContact CD1-CD1 4.44Å; F35-I106 HydrophobicContact CD1-CG2 3.87Å; F35-I106 HydrophobicContact CD2-CD1 3.91Å; F35-I106 HydrophobicContact CD2-CG1 4.41Å; F35-I106 HydrophobicContact CE1-CB 4.28Å; F35-I106 HydrophobicContact CE1-CD1 4.37Å; F35-I106 HydrophobicContact CE1-CG1 4.07Å; F35-I106 HydrophobicContact CE1-CG2 3.55Å; F35-I106 HydrophobicContact CE2-CD1 3.81Å; F35-I106 HydrophobicContact CE2-CG1 3.84Å; F35-I106 HydrophobicContact CG-CD1 4.22Å; F35-I106 HydrophobicContact CZ-CB 4.29Å; F35-I106 HydrophobicContact CZ-CD1 4.06Å; F35-I106 HydrophobicContact CZ-CG1 3.65Å; F35-I106 HydrophobicContact CZ-CG2 4.05Å; F35-R125 HydrophobicContact CE2-CG 4.35Å; F35-R125 WeakPolarHBondContact CZ-O 3.43Å; F35-G126 WeakPolarHBondContact CE2-O 3.36Å; F35-G126 VanDerWaalsContact CZ-C 3.48Å; F35-W127 AromaticContact CD1-CD1 3.9Å; F35-W127 HydrophobicContact CE1-CB 4.08Å; F35-W127 AromaticContact CG-CD1 3.98Å; F35-W127 VanDerWaalsContact CZ-CA 3.47Å; F35-W127 HydrophobicContact CZ-CB 4.06Å; F35-W127 VanDerWaalsContact CZ-N 3.31Å
36K96Very high95.3Very high150 Ų15046.7 Ų46.765%0.65225%0.252SS*.THydrogen-bonded Turntrans-58.9132.5171178.9178.9174.6-1750111V100 S101 N102K36-V100 HydrophobicContact CB-CG1 4.03Å; K36-S101 PolarHBondContact N-O 2.88Å; K36-N102 WeakPolarHBondContact CB-OD1 3.33Å; K36-N102 WeakPolarHBondContact CD-OD1 3.12Å
37G93.9Very high94.3Very high66 Ų6652.1 Ų52.168%0.6827%0.27SS*.THydrogen-bonded Turntrans95.6-14.4-176.900000113.8F35F35-G37 PolarHBondContact O-N 3.09Å
38E95.7Very high93Very high52 Ų5254.4 Ų54.424%0.24328%0.281CS..  trans-79.6159.6171.5-62.1-17814100112.1I34 F35 Q78 R125I34-E38 HydrophobicContact CB-CB 4.37Å; I34-E38 WeakPolarHBondContact CB-OE2 3.18Å; I34-E38 HydrophobicContact CD1-CB 4.45Å; F35-E38 HydrophobicContact CB-CG 4.15Å; F35-E38 PolarHBondContact N-OE2 2.8Å; F35-E38 WeakPolarHBondContact O-CB 3.26Å; F35-E38 PolarHBondContact O-N 3.42Å; F35-E38 VanDerWaalsContact O-N 3.16Å; E38-Q78 VanDerWaalsContact O-CB 3.23Å; E38-Q78 WeakPolarHBondContact O-CB 3.34Å; E38-R125 IonicContact OE1-CZ 2.73Å; E38-R125 VanDerWaalsContact OE1-CZ 3.22Å; E38-R125 IonicContact OE1-NH1 2.75Å; E38-R125 PolarHBondContact OE1-NH1 2.97Å; E38-R125 IonicContact OE1-NH2 3.9Å; E38-R125 PolarHBondContact OE1-NH2 2.83Å; E38-R125 IonicContact OE2-CZ 2.65Å; E38-R125 IonicContact OE2-NH1 2.72Å; E38-R125 IonicContact OE2-NH2 2.94Å; E38-R125 PolarHBondContact OE2-NH2 2.89Å
39R96.1Very high91.4Very high145 Ų14549.9 Ų49.955%0.54726%0.263SS..  trans-123147.2176.2-73-177152.1-153.7-0.4110.7E76 V77 Q78R39-E76 WeakPolarHBondContact CD-OE2 3.15Å; R39-E76 IonicContact CZ-OE2 3.92Å; R39-E76 IonicContact NE-OE2 3.15Å; R39-E76 IonicContact NH1-OE2 2.62Å; R39-E76 PolarHBondContact NH1-OE2 2.93Å; R39-V77 WeakPolarHBondContact CA-O 3.46Å; R39-Q78 HydrophobicContact CG-CB 4.21Å
40V97Very high89.5Confident6 Ų654.1 Ų54.14%0.03628%0.282CS..EExtended strand (participates in β ladder)trans-132.2148172.7-66.50000110.1L27 I34 E76 V77 L98L27-V40 HydrophobicContact CD1-CB 3.84Å; L27-V40 HydrophobicContact CD1-CG2 3.65Å; I34-V40 HydrophobicContact CD1-CG1 4.2Å; I34-V40 HydrophobicContact CD1-CG2 4.29Å; I34-V40 HydrophobicContact CG2-CG1 3.61Å; V40-E76 WeakPolarHBondContact O-CA 3.5Å; V40-V77 HydrophobicContact CG2-CG2 3.73Å; V40-V77 PolarHBondContact N-O 2.9Å; V40-V77 PolarHBondContact O-N 2.94Å; V40-L98 HydrophobicContact CG2-CD1 3.98Å; V40-L98 HydrophobicContact CG2-CD2 3.69Å
41T97.6Very high87.5Confident46 Ų4659.3 Ų59.328%0.28231%0.306SS..EExtended strand (participates in β ladder)trans-97.2120-179.6-55.30000109.5H28 I75H28-T41 PolarHBondContact N-O 3.02Å; H28-T41 PolarHBondContact O-N 2.74Å; T41-I75 WeakPolarHBondContact CA-O 3.41Å
42L97.3Very high85.4Confident1 Ų161.4 Ų61.41%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-91.5139.2165.3-68.9167.3000109.1L25 S26 L27 W61 S74 I75 V77 Y83 I96L25-L42 HydrophobicContact CD1-CB 4.25Å; L25-L42 HydrophobicContact CD1-CD2 4.15Å; S26-L42 CarbonylContact O-C 3.53Å; S26-L42 WeakPolarHBondContact O-CA 3.44Å; L27-L42 HydrophobicContact CB-CD2 4.12Å; L27-L42 HydrophobicContact CD1-CD2 3.54Å; L27-L42 HydrophobicContact CD1-CG 4.12Å; L27-L42 HydrophobicContact CG-CD2 4.41Å; L42-W61 HydrophobicContact CB-CH2 3.65Å; L42-W61 HydrophobicContact CB-CZ3 3.66Å; L42-W61 HydrophobicContact CD1-CZ3 4.2Å; L42-S74 CarbonylContact O-C 3.53Å; L42-S74 WeakPolarHBondContact O-CA 3.45Å; L42-S74 VanDerWaalsContact O-CB 3.27Å; L42-S74 WeakPolarHBondContact O-CB 3.23Å; L42-I75 HydrophobicContact CB-CG1 3.98Å; L42-I75 HydrophobicContact CD1-CD1 4.3Å; L42-I75 HydrophobicContact CD1-CG1 4.38Å; L42-I75 PolarHBondContact N-O 2.91Å; L42-I75 PolarHBondContact O-N 2.73Å; L42-V77 HydrophobicContact CD1-CG1 4.03Å; L42-V77 HydrophobicContact CD1-CG2 3.66Å; L42-V77 HydrophobicContact CG-CG2 4.02Å; L42-Y83 HydrophobicContact CD1-CD1 3.48Å; L42-Y83 VanDerWaalsContact CD1-CD1 3.48Å; L42-Y83 HydrophobicContact CD1-CD2 3.99Å; L42-Y83 HydrophobicContact CD1-CE1 4.12Å; L42-Y83 HydrophobicContact CD1-CG 3.4Å; L42-I96 HydrophobicContact CD2-CD1 4.24Å
43K95.8Very high83.4Confident88 Ų8868 Ų6838%0.38335%0.348SS..EExtended strand (participates in β ladder)trans-134129.1179174.6177.5179.4-102.30110.3S26 D45S26-K43 PolarHBondContact N-O 2.59Å; S26-K43 PolarHBondContact O-N 2.76Å; S26-K43 WeakPolarHBondContact OG-CB 3.07Å; S26-K43 PolarHBondContact OG-O 3.19Å; K43-D45 WeakPolarHBondContact CE-OD1 3Å; K43-D45 IonicContact NZ-OD1 3.93Å; K43-D45 PolarHBondContact NZ-OD1 3.46Å; K43-D45 IonicContact NZ-OD2 2.7Å; K43-D45 PolarHBondContact NZ-OD2 2.71Å
44C93.9Very high81.2Confident0 Ų075.5 Ų75.50%039%0.387CS..EExtended strand (participates in β ladder)trans-99.4113.3178-162.70000109.2T59 W61 K73 C85C44-T59 HydrophobicContact CB-CG2 3.89Å; C44-W61 HydrophobicContact CB-CH2 4.02Å; C44-W61 HydrophobicContact CB-CZ2 3.82Å; C44-K73 PolarHBondContact N-O 2.86Å; C44-K73 WeakPolarHBondContact O-CE 3.02Å; C44-K73 VanDerWaalsContact O-CG 3.28Å; C44-K73 WeakPolarHBondContact O-CG 3.26Å; C44-C85 HydrophobicContact CB-CB 3.63Å; C44-C85 WeakPolarHBondContact CB-SG 3.45Å; C44-C85 WeakPolarHBondContact SG-CB 3.49Å; C44-C85 CovalentContact SG-SG 2.04Å; C44-C85 PolarHBondContact SG-SG 2.79Å
45D90.8Very high79.4Confident45 Ų4583.1 Ų83.124%0.24142%0.416CS..EExtended strand (participates in β ladder)trans-106.6128.2173-72.3-61.3000109.9P23 I24 K43 K73P23-D45 CarbonylContact C-O 3.52Å; P23-D45 WeakPolarHBondContact CA-O 3.41Å; P23-D45 WeakPolarHBondContact CB-O 3.28Å; I24-D45 PolarHBondContact N-O 2.83Å; I24-D45 PolarHBondContact O-N 3.34Å; K43-D45 WeakPolarHBondContact CE-OD1 3Å; K43-D45 IonicContact NZ-OD1 3.93Å; K43-D45 PolarHBondContact NZ-OD1 3.46Å; K43-D45 IonicContact NZ-OD2 2.7Å; K43-D45 PolarHBondContact NZ-OD2 2.71Å; D45-K73 WeakPolarHBondContact OD1-CE 3.43Å; D45-K73 IonicContact OD1-NZ 3.53Å; D45-K73 PolarHBondContact OD1-NZ 2.03Å
46G83.6Confident77.6Confident32 Ų3289 Ų8933%0.3345%0.454SS..SBendtrans-176.4-179-17700000110.7H48G46-H48 PolarHBondContact O-CE1 2.85Å; G46-H48 PolarHBondContact O-N 3.49Å; G46-H48 PolarHBondContact O-ND1 3.02Å
47Y75.3Confident76.2Confident139 Ų13985.6 Ų85.655%0.54544%0.442SS..  trans-68.4132.7178.2-178.3-102.4000111.6L20 P49 T87L20-Y47 HydrophobicContact CD1-CD1 3.79Å; L20-Y47 HydrophobicContact CD1-CG 3.91Å; L20-Y47 HydrophobicContact CD2-CD1 3.94Å; L20-Y47 HydrophobicContact CD2-CG 4.48Å; L20-Y47 HydrophobicContact CG-CD1 4.49Å; Y47-P49 HydrophobicContact CE1-CB 3.76Å; Y47-P49 HydrophobicContact CE1-CG 4.35Å; Y47-T87 WeakPolarHBondContact O-CB 3.37Å; Y47-T87 PolarHBondContact O-OG1 2.93Å
48H68.7Low75.3Confident55 Ų5584.9 Ų84.926%0.25543%0.427SS..  trans-123.8109.9176.1-68.763.7000107.2G46 L50G46-H48 PolarHBondContact O-CE1 2.85Å; G46-H48 PolarHBondContact O-N 3.49Å; G46-H48 PolarHBondContact O-ND1 3.02Å; H48-L50 PolarHBondContact O-N 2.96Å; H48-L50 VanDerWaalsContact O-N 3.12Å
49P62.8Low75.1Confident36 Ų3682.4 Ų82.423%0.23442%0.415CS..  trans-70.3107.4-176.624.2-31.6000112Y47 L51 L52Y47-P49 HydrophobicContact CE1-CB 3.76Å; Y47-P49 HydrophobicContact CE1-CG 4.35Å; P49-L51 PolarHBondContact O-N 3.49Å; P49-L51 VanDerWaalsContact O-N 3.13Å; P49-L52 PolarHBondContact O-N 2.87Å
50L56.8Low74.9Confident144 Ų14477.9 Ų77.975%0.75440%0.402SS*.G310 helixtrans-60.1-21.6179.9-59.1176000114H48 L52H48-L50 PolarHBondContact O-N 2.96Å; H48-L50 VanDerWaalsContact O-N 3.12Å; L50-L52 VanDerWaalsContact C-N 3.27Å; L50-L52 PolarHBondContact O-N 2.9Å
51L54Low74.8Confident165 Ų16577.6 Ų77.686%0.86440%0.4SS*.G310 helixtrans-81.54.8-180-86.7159.7000114.3P49P49-L51 PolarHBondContact O-N 3.49Å; P49-L51 VanDerWaalsContact O-N 3.13Å
52L52.8Low74.7Confident78 Ų7877.7 Ų77.741%0.40840%0.396SS..G310 helixtrans-133.439.6-179.5-86.6111.9000114.5P49 L50 L54 R55P49-L52 PolarHBondContact O-N 2.87Å; L50-L52 VanDerWaalsContact C-N 3.27Å; L50-L52 PolarHBondContact O-N 2.9Å; L52-L54 PolarHBondContact O-N 3.2Å; L52-R55 PolarHBondContact O-N 2.88Å
53E52.5Low74.7Confident159 Ų15979.3 Ų79.374%0.74340%0.404SS*.THydrogen-bonded Turntrans-53.3-12.2166.1-70.6-63.9151.900114.3R55E53-R55 PolarHBondContact O-N 3.08Å
54L51.4Low74.6Confident168 Ų16876.5 Ų76.588%0.8840%0.4SS*.THydrogen-bonded Turntrans-74.17.5176.8-65.3169.9000115L52L52-L54 PolarHBondContact O-N 3.2Å
55R57.9Low74.4Confident166 Ų16685.6 Ų85.663%0.62644%0.442SS*.SBendtrans-138.5129.5172.8-67.4-168.7-174.6-1781.2112.3L52 E53 I57L52-R55 PolarHBondContact O-N 2.88Å; E53-R55 PolarHBondContact O-N 3.08Å; R55-I57 PolarHBondContact O-N 3.13Å
56P60.6Low74.6Confident128 Ų12889.2 Ų89.283%0.83146%0.461SS*.SBendtrans-75.12.7-17231.1-37.5000115.4
57I65.4Low75.2Confident79 Ų7992.4 Ų92.441%0.40547%0.47SS..  trans-111.5101.4-176.3-56.9179.7000109.5R55 L60 H71R55-I57 PolarHBondContact O-N 3.13Å; I57-L60 HydrophobicContact CG2-CD2 3.78Å; I57-H71 HydrophobicContact CG1-CB 4.47Å; I57-H71 HydrophobicContact CG2-CB 4.35Å
58S76.1Confident76.1Confident50 Ų5087.6 Ų87.635%0.3545%0.453SS..  trans-98.8-34.9176.157.70000113.1H71 R88S58-H71 PolarHBondContact OG-O 3.06Å; S58-R88 PolarHBondContact O-N 3.17Å
59T89.7Confident77.1Confident0 Ų091.3 Ų91.30%048%0.482CS..EExtended strand (participates in β ladder)trans-126.3139.9-177.8-53.20000111.3C44 W61 H71 C85 Q86C44-T59 HydrophobicContact CB-CG2 3.89Å; T59-W61 HydrophobicContact CG2-CZ2 4.44Å; T59-H71 WeakPolarHBondContact O-CA 3.35Å; T59-H71 PolarHBondContact O-ND1 3.17Å; T59-C85 HydrophobicContact CG2-CB 4.34Å; T59-Q86 WeakPolarHBondContact CA-O 3.29Å
60L92.5Very high78.4Confident50 Ų5091 Ų9126%0.26248%0.48SS..EExtended strand (participates in β ladder)trans-108.8140.2167-60.6178.3000109.4I57 Y62 L67 C85 Q86I57-L60 HydrophobicContact CG2-CD2 3.78Å; L60-Y62 HydrophobicContact CB-CE2 3.94Å; L60-Y62 WeakPolarHBondContact CD1-OH 3.45Å; L60-L67 HydrophobicContact CB-CD1 4.1Å; L60-L67 HydrophobicContact CD2-CD1 4.3Å; L60-C85 CarbonylContact O-C 3.6Å; L60-C85 VanDerWaalsContact O-CA 3.28Å; L60-C85 WeakPolarHBondContact O-CA 3.23Å; L60-Q86 HydrophobicContact CB-CB 4.37Å; L60-Q86 PolarHBondContact N-O 2.79Å; L60-Q86 PolarHBondContact O-N 2.73Å
61W95.4Very high79.9Confident0 Ų087.1 Ų87.10%046%0.459CS..EExtended strand (participates in β ladder)trans-122.9132.6-176.2-77.299.8000110.5L25 L42 C44 T59 L67 L68 K72 I75 C85L25-W61 HydrophobicContact CD1-CH2 3.65Å; L25-W61 HydrophobicContact CD1-CZ3 3.48Å; L25-W61 VanDerWaalsContact CD1-CZ3 3.48Å; L42-W61 HydrophobicContact CB-CH2 3.65Å; L42-W61 HydrophobicContact CB-CZ3 3.66Å; L42-W61 HydrophobicContact CD1-CZ3 4.2Å; C44-W61 HydrophobicContact CB-CH2 4.02Å; C44-W61 HydrophobicContact CB-CZ2 3.82Å; T59-W61 HydrophobicContact CG2-CZ2 4.44Å; W61-L67 WeakPolarHBondContact O-CA 3.43Å; W61-L68 HydrophobicContact CB-CB 3.98Å; W61-L68 HydrophobicContact CB-CD1 4.26Å; W61-L68 HydrophobicContact CB-CG 4.44Å; W61-L68 PolarHBondContact O-N 2.69Å; W61-K72 PolarHBondContact NE1-O 3.46Å; W61-I75 HydrophobicContact CB-CD1 4.29Å; W61-I75 HydrophobicContact CD2-CD1 3.55Å; W61-I75 HydrophobicContact CD2-CG1 3.88Å; W61-I75 HydrophobicContact CD2-CG2 4.25Å; W61-I75 HydrophobicContact CE3-CD1 3.46Å; W61-I75 VanDerWaalsContact CE3-CD1 3.46Å; W61-I75 HydrophobicContact CE3-CG1 3.89Å; W61-I75 HydrophobicContact CG-CD1 3.94Å; W61-I75 HydrophobicContact CG-CG2 4.26Å; W61-I75 HydrophobicContact CH2-CG1 4.05Å; W61-I75 HydrophobicContact CZ2-CG1 4.05Å; W61-I75 HydrophobicContact CZ3-CD1 3.97Å; W61-I75 HydrophobicContact CZ3-CG1 3.96Å; W61-C85 HydrophobicContact CD2-CB 4.19Å; W61-C85 HydrophobicContact CE3-CB 3.88Å; W61-C85 HydrophobicContact CH2-CB 4.18Å; W61-C85 HydrophobicContact CZ2-CB 4.47Å; W61-C85 HydrophobicContact CZ3-CB 3.88Å
62Y96.1Very high81.5Confident49 Ų4986.6 Ų86.619%0.19245%0.449CS..EExtended strand (participates in β ladder)trans-123.6134.6-176.3-56.7-88.2000111.4L60 L66 L67 Y83 R84 Q86L60-Y62 HydrophobicContact CB-CE2 3.94Å; L60-Y62 WeakPolarHBondContact CD1-OH 3.45Å; Y62-L66 CarbonylContact C-O 3.59Å; Y62-L66 VanDerWaalsContact CA-O 3.3Å; Y62-L66 WeakPolarHBondContact CA-O 3.5Å; Y62-L67 HydrophobicContact CD1-CD1 4.02Å; Y62-L67 HydrophobicContact CE1-CD1 3.61Å; Y62-Y83 WeakPolarHBondContact O-CA 3.46Å; Y62-R84 HydrophobicContact CD2-CB 4.49Å; Y62-R84 PolarHBondContact N-O 2.94Å; Y62-R84 PolarHBondContact O-N 3.38Å; Y62-Q86 HydrophobicContact CE2-CB 3.93Å; Y62-Q86 PolarHBondContact OH-OE1 2.92Å; Y62-Q86 VanDerWaalsContact OH-OE1 3.06Å
63L96.7Very high83.3Confident35 Ų3587 Ų8718%0.18345%0.448CS..EExtended strand (participates in β ladder)trans-114.6101.9167.6175.154.7000108.6H65 L66 L68 Y83L63-H65 PolarHBondContact O-N 2.84Å; L63-L66 PolarHBondContact N-O 2.86Å; L63-L66 WeakPolarHBondContact O-CB 3.29Å; L63-L66 PolarHBondContact O-N 2.85Å; L63-L68 HydrophobicContact CB-CD1 4.3Å; L63-L68 HydrophobicContact CB-CD2 3.94Å; L63-L68 HydrophobicContact CB-CG 4.23Å; L63-L68 HydrophobicContact CD2-CD2 4.45Å; L63-Y83 HydrophobicContact CB-CE1 4.29Å; L63-Y83 HydrophobicContact CD1-CD1 4.24Å; L63-Y83 HydrophobicContact CD1-CD2 4.41Å; L63-Y83 HydrophobicContact CD1-CE1 3.83Å; L63-Y83 HydrophobicContact CD1-CE2 4.01Å; L63-Y83 HydrophobicContact CD2-CE1 4.39Å; L63-Y83 HydrophobicContact CG-CE1 4.39Å
64G93.5Very high85.3Confident28 Ų2882 Ų8229%0.28943%0.43SS..THydrogen-bonded Turntrans63.5-103.9-167.300000110.5V82G64-V82 PolarHBondContact N-O 2.84Å
65H90.3Very high87.4Confident192 Ų19274.9 Ų74.989%0.88939%0.393SS*.THydrogen-bonded Turntrans-110.9-5.1174-59.6-75.7000113.4L63L63-H65 PolarHBondContact O-N 2.84Å
66L95.3Very high89.2Confident121 Ų12172.4 Ų72.463%0.63439%0.388SS*.EExtended strand (participates in β ladder)trans-83.7130.2-177.7-60.4172.7000110.4Y62 L63Y62-L66 CarbonylContact C-O 3.59Å; Y62-L66 VanDerWaalsContact CA-O 3.3Å; Y62-L66 WeakPolarHBondContact CA-O 3.5Å; L63-L66 PolarHBondContact N-O 2.86Å; L63-L66 WeakPolarHBondContact O-CB 3.29Å; L63-L66 PolarHBondContact O-N 2.85Å
67L94.8Very high90.9Very high99 Ų9966.8 Ų66.852%0.51835%0.351SS..EExtended strand (participates in β ladder)trans-79126.8170.8-170.275.5000109.5L60 W61 Y62L60-L67 HydrophobicContact CB-CD1 4.1Å; L60-L67 HydrophobicContact CD2-CD1 4.3Å; W61-L67 WeakPolarHBondContact O-CA 3.43Å; Y62-L67 HydrophobicContact CD1-CD1 4.02Å; Y62-L67 HydrophobicContact CE1-CD1 3.61Å
68L94Very high92.3Very high37 Ų3767.4 Ų67.419%0.19435%0.353CS..PPolyproline II helixtrans-84.5142.8177.7-60.1-179.6000110.8W61 L63 S70 I75 Y83W61-L68 HydrophobicContact CB-CB 3.98Å; W61-L68 HydrophobicContact CB-CD1 4.26Å; W61-L68 HydrophobicContact CB-CG 4.44Å; W61-L68 PolarHBondContact O-N 2.69Å; L63-L68 HydrophobicContact CB-CD1 4.3Å; L63-L68 HydrophobicContact CB-CD2 3.94Å; L63-L68 HydrophobicContact CB-CG 4.23Å; L63-L68 HydrophobicContact CD2-CD2 4.45Å; L68-S70 PolarHBondContact O-N 2.85Å; L68-I75 HydrophobicContact CD1-CD1 3.77Å; L68-Y83 HydrophobicContact CD1-CD1 4.39Å; L68-Y83 HydrophobicContact CD1-CE1 4.18Å
69P90.8Very high93.3Very high134 Ų13468.3 Ų68.387%0.8736%0.356SS*.SBendtrans-79.752.4-177.435.2-38000112.2
70S89.3Confident93.6Very high28 Ų2872 Ų7220%0.19638%0.381CS..  trans-139.6139.1175-179.90000110.3L68 K72 I75L68-S70 PolarHBondContact O-N 2.85Å; S70-K72 PolarHBondContact OG-N 2.83Å; S70-I75 VanDerWaalsContact OG-CG2 3.26Å; S70-I75 WeakPolarHBondContact OG-CG2 3.45Å
71H87.8Confident93.8Very high64 Ų6470.9 Ų70.930%0.29638%0.381SS..  trans-119.97177-55.6-52.7000113I57 S58 T59I57-H71 HydrophobicContact CG1-CB 4.47Å; I57-H71 HydrophobicContact CG2-CB 4.35Å; S58-H71 PolarHBondContact OG-O 3.06Å; T59-H71 WeakPolarHBondContact O-CA 3.35Å; T59-H71 PolarHBondContact O-ND1 3.17Å
72K89.1Confident93.8Very high153 Ų15372.5 Ų72.567%0.66539%0.39SS*.SBendtrans-68.6153.3175.7-66.5-178.6179.8-178.50110.6W61 S70 S74W61-K72 PolarHBondContact NE1-O 3.46Å; S70-K72 PolarHBondContact OG-N 2.83Å; K72-S74 VanDerWaalsContact CB-O 3.31Å; K72-S74 WeakPolarHBondContact CB-O 3.46Å; K72-S74 PolarHBondContact O-N 2.87Å
73K90Very high93.9Very high88 Ų8870.1 Ų70.138%0.38338%0.381SS..SBendtrans-61.3-23.5174.8-170.7173.4179.3-178.70113.4C44 D45C44-K73 PolarHBondContact N-O 2.86Å; C44-K73 WeakPolarHBondContact O-CE 3.02Å; C44-K73 VanDerWaalsContact O-CG 3.28Å; C44-K73 WeakPolarHBondContact O-CG 3.26Å; D45-K73 WeakPolarHBondContact OD1-CE 3.43Å; D45-K73 IonicContact OD1-NZ 3.53Å; D45-K73 PolarHBondContact OD1-NZ 2.03Å
74S94.2Very high93.9Very high53 Ų5372 Ų7237%0.37139%0.386SS..EExtended strand (participates in β ladder)trans-133.7152.9174.252.80000112L42 K72L42-S74 CarbonylContact O-C 3.53Å; L42-S74 WeakPolarHBondContact O-CA 3.45Å; L42-S74 VanDerWaalsContact O-CB 3.27Å; L42-S74 WeakPolarHBondContact O-CB 3.23Å; K72-S74 VanDerWaalsContact CB-O 3.31Å; K72-S74 WeakPolarHBondContact CB-O 3.46Å; K72-S74 PolarHBondContact O-N 2.87Å
75I95.5Very high94Very high18 Ų1870.7 Ų70.79%0.09237%0.372CS..EExtended strand (participates in β ladder)trans-134.6146.4173.259.1171000110.3T41 L42 W61 L68 S70 V77T41-I75 WeakPolarHBondContact CA-O 3.41Å; L42-I75 HydrophobicContact CB-CG1 3.98Å; L42-I75 HydrophobicContact CD1-CD1 4.3Å; L42-I75 HydrophobicContact CD1-CG1 4.38Å; L42-I75 PolarHBondContact N-O 2.91Å; L42-I75 PolarHBondContact O-N 2.73Å; W61-I75 HydrophobicContact CB-CD1 4.29Å; W61-I75 HydrophobicContact CD2-CD1 3.55Å; W61-I75 HydrophobicContact CD2-CG1 3.88Å; W61-I75 HydrophobicContact CD2-CG2 4.25Å; W61-I75 HydrophobicContact CE3-CD1 3.46Å; W61-I75 VanDerWaalsContact CE3-CD1 3.46Å; W61-I75 HydrophobicContact CE3-CG1 3.89Å; W61-I75 HydrophobicContact CG-CD1 3.94Å; W61-I75 HydrophobicContact CG-CG2 4.26Å; W61-I75 HydrophobicContact CH2-CG1 4.05Å; W61-I75 HydrophobicContact CZ2-CG1 4.05Å; W61-I75 HydrophobicContact CZ3-CD1 3.97Å; W61-I75 HydrophobicContact CZ3-CG1 3.96Å; L68-I75 HydrophobicContact CD1-CD1 3.77Å; S70-I75 VanDerWaalsContact OG-CG2 3.26Å; S70-I75 WeakPolarHBondContact OG-CG2 3.45Å; I75-V77 HydrophobicContact CD1-CG1 3.68Å; I75-V77 HydrophobicContact CG1-CG1 3.98Å
76E96.9Very high94.1Very high114 Ų11463.9 Ų63.953%0.53334%0.341SS..EExtended strand (participates in β ladder)trans-92.6132.9166.9-74.4176.9-154.500109.7R39 V40R39-E76 WeakPolarHBondContact CD-OE2 3.15Å; R39-E76 IonicContact CZ-OE2 3.92Å; R39-E76 IonicContact NE-OE2 3.15Å; R39-E76 IonicContact NH1-OE2 2.62Å; R39-E76 PolarHBondContact NH1-OE2 2.93Å; V40-E76 WeakPolarHBondContact O-CA 3.5Å
77V95.9Very high93.8Very high10 Ų1058.2 Ų58.26%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-133.1151.3-179.1-59.80000111.3R39 V40 L42 I75 Y83 L98R39-V77 WeakPolarHBondContact CA-O 3.46Å; V40-V77 HydrophobicContact CG2-CG2 3.73Å; V40-V77 PolarHBondContact N-O 2.9Å; V40-V77 PolarHBondContact O-N 2.94Å; L42-V77 HydrophobicContact CD1-CG1 4.03Å; L42-V77 HydrophobicContact CD1-CG2 3.66Å; L42-V77 HydrophobicContact CG-CG2 4.02Å; I75-V77 HydrophobicContact CD1-CG1 3.68Å; I75-V77 HydrophobicContact CG1-CG1 3.98Å; V77-Y83 HydrophobicContact CB-CE1 4.08Å; V77-Y83 HydrophobicContact CG1-CD1 4.35Å; V77-Y83 HydrophobicContact CG1-CE1 3.64Å; V77-Y83 HydrophobicContact CG2-CE1 4.31Å; V77-Y83 HydrophobicContact CG2-CE2 4.29Å; V77-L98 HydrophobicContact CG2-CD2 3.76Å
78Q95.3Very high93.1Very high92 Ų9258 Ų5843%0.4330%0.303SS..  trans-140.31.4-177.960.9-172.868.400112.5E38 R39E38-Q78 VanDerWaalsContact O-CB 3.23Å; E38-Q78 WeakPolarHBondContact O-CB 3.34Å; R39-Q78 HydrophobicContact CG-CB 4.21Å
79T95.4Very high92.4Very high69 Ų6959.4 Ų59.442%0.42333%0.327SS..SBendtrans-101.8137.6-177.137.40000110.5Y83T79-Y83 WeakPolarHBondContact O-CE2 3.26Å; T79-Y83 PolarHBondContact O-OH 3.23Å; T79-Y83 PolarHBondContact OG1-OH 3.07Å
80P96.6Very high92.2Very high79 Ų7953.2 Ų53.251%0.51329%0.287SS..  trans-67.7152.6175.630.3-34.6000110.8L98 V100P80-L98 CarbonylContact C-O 3.6Å; P80-L98 VanDerWaalsContact CA-O 3.29Å; P80-L98 WeakPolarHBondContact CA-O 3.32Å; P80-V100 HydrophobicContact CB-CB 4.22Å; P80-V100 HydrophobicContact CB-CG2 3.97Å; P80-V100 HydrophobicContact CG-CB 4.4Å; P80-V100 HydrophobicContact CG-CG2 4.35Å
81G95.9Very high92.2Very high26 Ų2655.1 Ų55.127%0.26830%0.299SS..EExtended strand (participates in β ladder)trans146.6-169.5175.200000114L98G81-L98 PolarHBondContact N-O 2.96Å; G81-L98 PolarHBondContact O-N 2.94Å
82V97.3Very high92.5Very high33 Ų3354.9 Ų54.920%0.230%0.302CS..EExtended strand (participates in β ladder)trans-106.2108.3-175.3-168.60000109.5G64 P95 I96G64-V82 PolarHBondContact N-O 2.84Å; V82-P95 HydrophobicContact CG1-CB 3.48Å; V82-P95 VanDerWaalsContact CG1-CB 3.48Å; V82-I96 WeakPolarHBondContact CA-O 3.25Å
83Y97.3Very high92.8Very high0 Ų047.9 Ų47.90%027%0.272CS..EExtended strand (participates in β ladder)trans-93.6139.3-179.5-65.9-89.2000111.3L25 L42 Y62 L63 L68 V77 T79 P95 I96 L98L25-Y83 WeakPolarHBondContact CD2-O 3.46Å; L42-Y83 HydrophobicContact CD1-CD1 3.48Å; L42-Y83 VanDerWaalsContact CD1-CD1 3.48Å; L42-Y83 HydrophobicContact CD1-CD2 3.99Å; L42-Y83 HydrophobicContact CD1-CE1 4.12Å; L42-Y83 HydrophobicContact CD1-CG 3.4Å; Y62-Y83 WeakPolarHBondContact O-CA 3.46Å; L63-Y83 HydrophobicContact CB-CE1 4.29Å; L63-Y83 HydrophobicContact CD1-CD1 4.24Å; L63-Y83 HydrophobicContact CD1-CD2 4.41Å; L63-Y83 HydrophobicContact CD1-CE1 3.83Å; L63-Y83 HydrophobicContact CD1-CE2 4.01Å; L63-Y83 HydrophobicContact CD2-CE1 4.39Å; L63-Y83 HydrophobicContact CG-CE1 4.39Å; L68-Y83 HydrophobicContact CD1-CD1 4.39Å; L68-Y83 HydrophobicContact CD1-CE1 4.18Å; V77-Y83 HydrophobicContact CB-CE1 4.08Å; V77-Y83 HydrophobicContact CG1-CD1 4.35Å; V77-Y83 HydrophobicContact CG1-CE1 3.64Å; V77-Y83 HydrophobicContact CG2-CE1 4.31Å; V77-Y83 HydrophobicContact CG2-CE2 4.29Å; T79-Y83 WeakPolarHBondContact O-CE2 3.26Å; T79-Y83 PolarHBondContact O-OH 3.23Å; T79-Y83 PolarHBondContact OG1-OH 3.07Å; Y83-P95 WeakPolarHBondContact O-CA 3.14Å; Y83-I96 PolarHBondContact N-O 2.9Å; Y83-I96 PolarHBondContact O-N 3.29Å; Y83-L98 HydrophobicContact CD2-CB 4.07Å; Y83-L98 HydrophobicContact CE2-CB 3.85Å; Y83-L98 HydrophobicContact CE2-CD2 3.96Å
84R96.9Very high93Very high75 Ų7548 Ų4828%0.28328%0.277SS..EExtended strand (participates in β ladder)trans-137.7155.8169.8-63177.7-176.9851.8109.4Y62 V92 S93 P95Y62-R84 HydrophobicContact CD2-CB 4.49Å; Y62-R84 PolarHBondContact N-O 2.94Å; Y62-R84 PolarHBondContact O-N 3.38Å; R84-V92 HydrophobicContact CB-CG1 3.68Å; R84-V92 HydrophobicContact CG-CG1 4.23Å; R84-S93 WeakPolarHBondContact CA-OG 3.44Å; R84-P95 HydrophobicContact CG-CB 4.06Å
85C94.9Very high93Very high0 Ų048 Ų480%028%0.276CS..EExtended strand (participates in β ladder)trans-128.2162170.274.20000111.5L25 C44 T59 L60 W61 S93L25-C85 HydrophobicContact CD1-CB 4.44Å; C44-C85 HydrophobicContact CB-CB 3.63Å; C44-C85 WeakPolarHBondContact CB-SG 3.45Å; C44-C85 WeakPolarHBondContact SG-CB 3.49Å; C44-C85 CovalentContact SG-SG 2.04Å; C44-C85 PolarHBondContact SG-SG 2.79Å; T59-C85 HydrophobicContact CG2-CB 4.34Å; L60-C85 CarbonylContact O-C 3.6Å; L60-C85 VanDerWaalsContact O-CA 3.28Å; L60-C85 WeakPolarHBondContact O-CA 3.23Å; W61-C85 HydrophobicContact CD2-CB 4.19Å; W61-C85 HydrophobicContact CE3-CB 3.88Å; W61-C85 HydrophobicContact CH2-CB 4.18Å; W61-C85 HydrophobicContact CZ2-CB 4.47Å; W61-C85 HydrophobicContact CZ3-CB 3.88Å; C85-S93 PolarHBondContact N-OG 2.76Å; C85-S93 WeakPolarHBondContact O-CB 3.4Å; C85-S93 PolarHBondContact O-N 3.31Å; C85-S93 PolarHBondContact O-OG 2.72Å
86Q92.8Very high93.1Very high48 Ų4847.6 Ų47.622%0.22427%0.274CS..EExtended strand (participates in β ladder)trans-143.1128.6174.8-174.5-18018.900109.1T59 L60 Y62 A90 V92T59-Q86 WeakPolarHBondContact CA-O 3.29Å; L60-Q86 HydrophobicContact CB-CB 4.37Å; L60-Q86 PolarHBondContact N-O 2.79Å; L60-Q86 PolarHBondContact O-N 2.73Å; Y62-Q86 HydrophobicContact CE2-CB 3.93Å; Y62-Q86 PolarHBondContact OH-OE1 2.92Å; Y62-Q86 VanDerWaalsContact OH-OE1 3.06Å; Q86-A90 WeakPolarHBondContact CG-O 3.31Å; Q86-A90 PolarHBondContact NE2-O 2.71Å; Q86-V92 HydrophobicContact CB-CG2 4.38Å; Q86-V92 HydrophobicContact CG-CG2 4.39Å
87T89.1Confident93Very high2 Ų247.4 Ų47.41%0.01227%0.273CS..EExtended strand (participates in β ladder)trans-92.6158.5168.259.70000109.9P23 Y47 G89 A90P23-T87 HydrophobicContact CB-CG2 4.07Å; Y47-T87 WeakPolarHBondContact O-CB 3.37Å; Y47-T87 PolarHBondContact O-OG1 2.93Å; T87-G89 PolarHBondContact O-N 2.79Å; T87-G89 VanDerWaalsContact O-N 3.17Å; T87-A90 WeakPolarHBondContact O-CB 3.26Å; T87-A90 PolarHBondContact O-N 3.34Å; T87-A90 WeakPolarHBondContact OG1-CB 3.47Å
88R79.6Confident93.1Very high94 Ų9447.2 Ų47.236%0.35527%0.271SS..THydrogen-bonded Turntrans-57.4120.3-172.7-174.7175.4-179.6177.6-2.3112.7S58 A90S58-R88 PolarHBondContact O-N 3.17Å; R88-A90 PolarHBondContact O-N 2.75Å
89G78.8Confident93.1Very high67 Ų6745.7 Ų45.769%0.69127%0.271SS*.THydrogen-bonded Turntrans81.3-5.3179.500000114.7T87T87-G89 PolarHBondContact O-N 2.79Å; T87-G89 VanDerWaalsContact O-N 3.17Å
90A86.6Confident93.2Very high4 Ų444.2 Ų44.23%0.03326%0.262CS..SBendtrans-86.7156.917600000111.3L20 Q86 T87 R88L20-A90 HydrophobicContact CD2-CB 3.93Å; L20-A90 HydrophobicContact CG-CB 4.33Å; Q86-A90 WeakPolarHBondContact CG-O 3.31Å; Q86-A90 PolarHBondContact NE2-O 2.71Å; T87-A90 WeakPolarHBondContact O-CB 3.26Å; T87-A90 PolarHBondContact O-N 3.34Å; T87-A90 WeakPolarHBondContact OG1-CB 3.47Å; R88-A90 PolarHBondContact O-N 2.75Å
91P91.1Very high93.2Very high68 Ų6841.2 Ų41.244%0.44224%0.243SC..PPolyproline II helixtrans-56.9165.7159.9-2132.4000111.7L20 K22 P23L20-P91 WeakPolarHBondContact O-CD 3.5Å; K22-P91 HydrophobicContact CB-CB 4.02Å; K22-P91 HydrophobicContact CB-CG 4.39Å; P23-P91 WeakPolarHBondContact CD-O 3.49Å
92V93.4Very high93.1Very high60 Ų6046 Ų4636%0.36426%0.262SS..PPolyproline II helixtrans-72.2144.6173.2-176.50000110R84 Q86R84-V92 HydrophobicContact CB-CG1 3.68Å; R84-V92 HydrophobicContact CG-CG1 4.23Å; Q86-V92 HydrophobicContact CB-CG2 4.38Å; Q86-V92 HydrophobicContact CG-CG2 4.39Å
93S95.1Very high92.9Very high5 Ų547.6 Ų47.64%0.03527%0.269CS..PPolyproline II helixtrans-60.8162.4177.278.30000113P23 R84 C85P23-S93 WeakPolarHBondContact O-CB 3.4Å; R84-S93 WeakPolarHBondContact CA-OG 3.44Å; C85-S93 PolarHBondContact N-OG 2.76Å; C85-S93 WeakPolarHBondContact O-CB 3.4Å; C85-S93 PolarHBondContact O-N 3.31Å; C85-S93 PolarHBondContact O-OG 2.72Å
94D93.5Very high92.8Very high90 Ų9053.3 Ų53.348%0.48129%0.291SS..PPolyproline II helixtrans-59.6148.4160.5-69.2-26.2000110.4K22K22-D94 VanDerWaalsContact CE-OD2 3.31Å; K22-D94 WeakPolarHBondContact CE-OD2 3.33Å; K22-D94 IonicContact NZ-OD1 3.23Å; K22-D94 PolarHBondContact NZ-OD1 3.01Å; K22-D94 IonicContact NZ-OD2 3.9Å; K22-D94 PolarHBondContact NZ-OD2 2.88Å
95P95.8Very high92.7Very high55 Ų5549.7 Ų49.736%0.35728%0.277SS..PPolyproline II helixtrans-78.6144.6-178.329.1-32.9000113.5V82 Y83 R84V82-P95 HydrophobicContact CG1-CB 3.48Å; V82-P95 VanDerWaalsContact CG1-CB 3.48Å; Y83-P95 WeakPolarHBondContact O-CA 3.14Å; R84-P95 HydrophobicContact CG-CB 4.06Å
96I96.3Very high92.9Very high9 Ų949.9 Ų49.95%0.04628%0.278CS..EExtended strand (participates in β ladder)trans-108.1127.2161.8-65.5-173.5000109.2L25 L27 L42 V82 Y83 Y111L25-I96 HydrophobicContact CB-CD1 4.49Å; L25-I96 HydrophobicContact CD2-CB 4.15Å; L25-I96 HydrophobicContact CD2-CD1 4.15Å; L25-I96 HydrophobicContact CD2-CG1 3.9Å; L25-I96 HydrophobicContact CG-CD1 3.75Å; L25-I96 HydrophobicContact CG-CG1 4.02Å; L27-I96 HydrophobicContact CB-CD1 3.81Å; L27-I96 HydrophobicContact CD2-CG2 4.1Å; L42-I96 HydrophobicContact CD2-CD1 4.24Å; V82-I96 WeakPolarHBondContact CA-O 3.25Å; Y83-I96 PolarHBondContact N-O 2.9Å; Y83-I96 PolarHBondContact O-N 3.29Å; I96-Y111 HydrophobicContact CD1-CD2 3.37Å; I96-Y111 HydrophobicContact CD1-CE2 3.73Å; I96-Y111 HydrophobicContact CD1-CG 4.07Å; I96-Y111 HydrophobicContact CG1-CD2 4.01Å
97H95.7Very high93.1Very high110 Ų11047.7 Ų47.751%0.50927%0.268SS..EExtended strand (participates in β ladder)trans-93.5108.8174.4-68.4-111.7000109.3
98L97Very high93.5Very high5 Ų547.8 Ų47.83%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-97.3129175.8-172.767.5000110.1L27 I34 V40 V77 P80 G81 Y83L27-L98 HydrophobicContact CD2-CD1 4.4Å; I34-L98 HydrophobicContact CD1-CD1 4.44Å; I34-L98 HydrophobicContact CD1-CD2 4.32Å; I34-L98 HydrophobicContact CG1-CD1 4.46Å; V40-L98 HydrophobicContact CG2-CD1 3.98Å; V40-L98 HydrophobicContact CG2-CD2 3.69Å; V77-L98 HydrophobicContact CG2-CD2 3.76Å; P80-L98 CarbonylContact C-O 3.6Å; P80-L98 VanDerWaalsContact CA-O 3.29Å; P80-L98 WeakPolarHBondContact CA-O 3.32Å; G81-L98 PolarHBondContact N-O 2.96Å; G81-L98 PolarHBondContact O-N 2.94Å; Y83-L98 HydrophobicContact CD2-CB 4.07Å; Y83-L98 HydrophobicContact CE2-CB 3.85Å; Y83-L98 HydrophobicContact CE2-CD2 3.96Å
99S96.7Very high94.4Very high60 Ų6043.7 Ų43.742%0.4225%0.254SS..EExtended strand (participates in β ladder)trans-112.5138.2176.9-60.60000110.3T32 T33 I34T32-S99 PolarHBondContact O-N 2.9Å; T33-S99 WeakPolarHBondContact CA-O 3.31Å; I34-S99 PolarHBondContact N-O 3.07Å
100V96.9Very high95.2Very high39 Ų3942 Ų4224%0.23623%0.23CC..EExtended strand (participates in β ladder)trans-124.4125.6179.7-175.70000107.9I34 K36 P80I34-V100 HydrophobicContact CD1-CG2 4.15Å; I34-V100 HydrophobicContact CG1-CB 4.49Å; I34-V100 HydrophobicContact CG1-CG2 3.88Å; I34-V100 WeakPolarHBondContact O-CA 3.3Å; K36-V100 HydrophobicContact CB-CG1 4.03Å; P80-V100 HydrophobicContact CB-CB 4.22Å; P80-V100 HydrophobicContact CB-CG2 3.97Å; P80-V100 HydrophobicContact CG-CB 4.4Å; P80-V100 HydrophobicContact CG-CG2 4.35Å
101S96.4Very high95.5Very high16 Ų1644.9 Ų44.911%0.11224%0.241CC..EExtended strand (participates in β ladder)trans-119.6152-176.8174.90000112.6I34 F35 K36 D103I34-S101 PolarHBondContact O-N 2.93Å; F35-S101 CarbonylContact C-O 3.55Å; F35-S101 WeakPolarHBondContact CA-O 3.47Å; K36-S101 PolarHBondContact N-O 2.88Å; S101-D103 VanDerWaalsContact OG-CB 3.28Å; S101-D103 WeakPolarHBondContact OG-CB 3.37Å; S101-D103 PolarHBondContact OG-N 2.94Å; S101-D103 PolarHBondContact OG-OD2 3.38Å
102N94.6Very high95.6Very high125 Ų12544.8 Ų44.867%0.66824%0.239SC*.  trans-105.44170.3-57.3-39.5000112.1K36K36-N102 WeakPolarHBondContact CB-OD1 3.33Å; K36-N102 WeakPolarHBondContact CD-OD1 3.12Å
103D93.4Very high95.4Very high68 Ų6845.6 Ų45.636%0.36425%0.246SC..SBendtrans-66.9163.1-179.1-55.5-41000110.7F35 S101 L105F35-D103 VanDerWaalsContact CE1-O 3.24Å; F35-D103 WeakPolarHBondContact CE1-O 3.36Å; S101-D103 VanDerWaalsContact OG-CB 3.28Å; S101-D103 WeakPolarHBondContact OG-CB 3.37Å; S101-D103 PolarHBondContact OG-N 2.94Å; S101-D103 PolarHBondContact OG-OD2 3.38Å; D103-L105 VanDerWaalsContact C-N 3.34Å
104W93.5Very high95.4Very high119 Ų11945.9 Ų45.945%0.45125%0.247SC..SBendtrans-70.6-30174.4-67.5105.3000113.7W127 M172 I174 M181W104-W127 AromaticContact CE3-CE3 3.87Å; W104-W127 HydrophobicContact CE3-CE3 3.87Å; W104-W127 HydrophobicContact CE3-CZ3 4.45Å; W104-W127 HydrophobicContact CH2-CE3 4.43Å; W104-W127 HydrophobicContact CH2-CZ3 4.21Å; W104-W127 AromaticContact CZ3-CE3 3.49Å; W104-W127 HydrophobicContact CZ3-CE3 3.49Å; W104-W127 VanDerWaalsContact CZ3-CE3 3.49Å; W104-W127 AromaticContact CZ3-CZ3 3.68Å; W104-W127 HydrophobicContact CZ3-CZ3 3.68Å; W104-W127 PolarHBondContact O-N 2.67Å; W104-M172 HydrophobicContact CB-CE 3.85Å; W104-M172 HydrophobicContact CD2-CE 4.49Å; W104-M172 HydrophobicContact CE3-CE 3.88Å; W104-M172 VanDerWaalsContact O-CE 3.28Å; W104-M172 WeakPolarHBondContact O-CE 3.43Å; W104-I174 HydrophobicContact CD2-CD1 3.85Å; W104-I174 HydrophobicContact CE3-CD1 3.52Å; W104-I174 HydrophobicContact CE3-CG1 4.43Å; W104-I174 HydrophobicContact CH2-CD1 4.17Å; W104-I174 HydrophobicContact CH2-CG2 4.13Å; W104-I174 HydrophobicContact CZ2-CD1 4.46Å; W104-I174 HydrophobicContact CZ3-CD1 3.68Å; W104-I174 HydrophobicContact CZ3-CG1 4.23Å; W104-I174 HydrophobicContact CZ3-CG2 4.33Å; W104-M181 HydrophobicContact CB-CB 4.27Å; W104-M181 HydrophobicContact CB-CG 4.09Å; W104-M181 HydrophobicContact CB-SD 3.31Å; W104-M181 WeakPolarHBondContact CB-SD 3.3Å; W104-M181 HydrophobicContact CD2-SD 4.08Å; W104-M181 HydrophobicContact CG-CG 4.3Å; W104-M181 HydrophobicContact CG-SD 3.47Å
105L96.3Very high95.5Very high0 Ų042 Ų420%023%0.226CC..EExtended strand (participates in β ladder)trans-125.8139178-59.1-175.1000109.8D103 R125 V132 M172 M181 S183D103-L105 VanDerWaalsContact C-N 3.34Å; L105-R125 WeakPolarHBondContact CA-O 3.47Å; L105-V132 HydrophobicContact CD1-CG1 4.31Å; L105-V132 HydrophobicContact CD2-CG1 4.09Å; L105-V132 HydrophobicContact CD2-CG2 3.58Å; L105-M172 HydrophobicContact CD2-CE 4.27Å; L105-M172 HydrophobicContact CD2-CG 4.06Å; L105-M172 HydrophobicContact CD2-SD 3.84Å; L105-M181 HydrophobicContact CD1-CB 4.05Å; L105-M181 VanDerWaalsContact CD1-O 3.32Å; L105-M181 WeakPolarHBondContact CD1-O 2.98Å; L105-M181 HydrophobicContact CG-CB 4.03Å; L105-S183 WeakPolarHBondContact O-CA 3.29Å; L105-S183 WeakPolarHBondContact O-CB 3.46Å
106I97.7Very high95.6Very high3 Ų340.4 Ų40.42%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-118.5148.2166.460.8176000111T33 F35 Q108 C124 R125T33-I106 HydrophobicContact CG2-CB 3.97Å; T33-I106 HydrophobicContact CG2-CD1 4.41Å; T33-I106 HydrophobicContact CG2-CG2 4.07Å; F35-I106 HydrophobicContact CD1-CD1 4.44Å; F35-I106 HydrophobicContact CD1-CG2 3.87Å; F35-I106 HydrophobicContact CD2-CD1 3.91Å; F35-I106 HydrophobicContact CD2-CG1 4.41Å; F35-I106 HydrophobicContact CE1-CB 4.28Å; F35-I106 HydrophobicContact CE1-CD1 4.37Å; F35-I106 HydrophobicContact CE1-CG1 4.07Å; F35-I106 HydrophobicContact CE1-CG2 3.55Å; F35-I106 HydrophobicContact CE2-CD1 3.81Å; F35-I106 HydrophobicContact CE2-CG1 3.84Å; F35-I106 HydrophobicContact CG-CD1 4.22Å; F35-I106 HydrophobicContact CZ-CB 4.29Å; F35-I106 HydrophobicContact CZ-CD1 4.06Å; F35-I106 HydrophobicContact CZ-CG1 3.65Å; F35-I106 HydrophobicContact CZ-CG2 4.05Å; I106-Q108 HydrophobicContact CD1-CG 3.94Å; I106-Q108 HydrophobicContact CG1-CG 4.16Å; I106-C124 WeakPolarHBondContact O-CA 3.36Å; I106-R125 HydrophobicContact CG1-CB 4.06Å; I106-R125 PolarHBondContact N-O 2.88Å; I106-R125 PolarHBondContact O-N 3.31Å
107L98.3Very high95.5Very high2 Ų240.7 Ų40.71%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-97.9118.8164.9-176.965.6000109.2T33 V109 L122 Y137 Y166 V186T33-L107 WeakPolarHBondContact CB-O 3.34Å; T33-L107 PolarHBondContact OG1-O 2.85Å; T33-L107 VanDerWaalsContact OG1-O 3.07Å; L107-V109 HydrophobicContact CD2-CG1 4.31Å; L107-V109 HydrophobicContact CG-CG1 4.12Å; L107-L122 HydrophobicContact CD1-CB 4.3Å; L107-Y137 HydrophobicContact CD1-CD1 4.17Å; L107-Y137 HydrophobicContact CD1-CE1 3.8Å; L107-Y166 VanDerWaalsContact CD2-CB 3.47Å; L107-V186 HydrophobicContact CB-CG2 4.13Å; L107-V186 HydrophobicContact CD2-CB 4.27Å; L107-V186 HydrophobicContact CD2-CG2 4.31Å; L107-V186 HydrophobicContact CG-CG2 4.48Å
108Q97.8Very high95.5Very high5 Ų538.4 Ų38.42%0.02321%0.208CC..EExtended strand (participates in β ladder)trans-96.2128.2174.4-60.5-167.1-59.100109.5W31 T33 I106 R123W31-Q108 HydrophobicContact CB-CB 3.87Å; W31-Q108 HydrophobicContact CB-CG 4.12Å; W31-Q108 HydrophobicContact CD2-CB 3.75Å; W31-Q108 HydrophobicContact CE3-CB 3.71Å; W31-Q108 HydrophobicContact CG-CB 3.83Å; W31-Q108 HydrophobicContact CG-CG 4.24Å; W31-Q108 HydrophobicContact CZ3-CB 4.49Å; T33-Q108 WeakPolarHBondContact O-CG 3.36Å; T33-Q108 PolarHBondContact O-NE2 3.01Å; I106-Q108 HydrophobicContact CD1-CG 3.94Å; I106-Q108 HydrophobicContact CG1-CG 4.16Å; Q108-R123 HydrophobicContact CB-CB 4.2Å; Q108-R123 WeakPolarHBondContact CB-O 3.29Å; Q108-R123 PolarHBondContact N-O 2.97Å; Q108-R123 PolarHBondContact O-N 2.62Å
109V97Very high95.4Very high8 Ų841.9 Ų41.95%0.04823%0.231CC..  trans-125.9153.6177.5-47.10000108.8W31 T32 L107 L122 V186 V188W31-V109 WeakPolarHBondContact CA-O 3.16Å; T32-V109 HydrophobicContact CG2-CG2 4.29Å; T32-V109 PolarHBondContact N-O 2.9Å; T32-V109 VanDerWaalsContact N-O 3.11Å; T32-V109 VanDerWaalsContact OG1-CG2 3.3Å; T32-V109 WeakPolarHBondContact OG1-CG2 3.32Å; L107-V109 HydrophobicContact CD2-CG1 4.31Å; L107-V109 HydrophobicContact CG-CG1 4.12Å; V109-L122 HydrophobicContact CB-CD2 4.08Å; V109-L122 HydrophobicContact CG1-CD2 3.6Å; V109-V186 HydrophobicContact CB-CG1 4.45Å; V109-V186 HydrophobicContact CG1-CB 4.17Å; V109-V186 HydrophobicContact CG1-CG1 3.81Å; V109-V186 HydrophobicContact CG2-CG1 3.7Å; V109-V188 HydrophobicContact CB-CG2 4.2Å; V109-V188 HydrophobicContact CG1-CG2 3.92Å; V109-V188 HydrophobicContact CG2-CG2 4.5Å
110P95.3Very high95.4Very high30 Ų3039 Ų3920%0.19521%0.211CC..BIsolated β-bridgetrans-64.4141.3179.826.3-34.8000111.3P30 T112 V114 L120 V121P30-P110 WeakPolarHBondContact O-CA 3.39Å; P110-T112 VanDerWaalsContact C-N 3.31Å; P110-V114 HydrophobicContact CG-CG2 3.86Å; P110-L120 HydrophobicContact CG-CD1 4.17Å; P110-V121 WeakPolarHBondContact CD-O 3.36Å
111Y94.1Very high95.4Very high65 Ų6539.1 Ų39.126%0.25521%0.212SC..SBendtrans-74.5-23.1172.976.4-87.3000113.3S26 L27 P30 I96S26-Y111 WeakPolarHBondContact CA-OH 3.46Å; S26-Y111 WeakPolarHBondContact CB-OH 3.46Å; L27-Y111 HydrophobicContact CB-CD1 3.79Å; L27-Y111 HydrophobicContact CB-CD2 4.4Å; L27-Y111 HydrophobicContact CB-CE1 3.95Å; L27-Y111 HydrophobicContact CB-CG 4.01Å; L27-Y111 HydrophobicContact CD2-CD1 4.39Å; L27-Y111 HydrophobicContact CD2-CG 4.44Å; L27-Y111 WeakPolarHBondContact O-CE1 3.39Å; P30-Y111 HydrophobicContact CB-CD1 3.89Å; P30-Y111 HydrophobicContact CB-CE1 3.75Å; P30-Y111 WeakPolarHBondContact O-CD1 3.31Å; P30-Y111 PolarHBondContact O-N 3.24Å; I96-Y111 HydrophobicContact CD1-CD2 3.37Å; I96-Y111 HydrophobicContact CD1-CE2 3.73Å; I96-Y111 HydrophobicContact CD1-CG 4.07Å; I96-Y111 HydrophobicContact CG1-CD2 4.01Å
112T92.2Very high95.5Very high67 Ų6738.4 Ų38.441%0.41121%0.207SC..SBendtrans-77.8139.4179.150.90000110.6P110 V114P110-T112 VanDerWaalsContact C-N 3.31Å; T112-V114 PolarHBondContact O-N 3.06Å
113P90.4Very high95.7Very high77 Ų7736.1 Ų36.150%0.519%0.189SC..PPolyproline II helixtrans-61127.6171.326.8-33.5000109.9F115 Q191P113-F115 HydrophobicContact CB-CE2 4.31Å; P113-F115 HydrophobicContact CG-CE2 4.2Å; P113-Q191 HydrophobicContact CB-CG 4.03Å
114V95.3Very high95.9Very high10 Ų1033 Ų336%0.06117%0.173CC..EExtended strand (participates in β ladder)trans-91.8128.2175.8-177.60000108.2P110 T112 E118 L120 A158 V190 Q191P110-V114 HydrophobicContact CG-CG2 3.86Å; T112-V114 PolarHBondContact O-N 3.06Å; V114-E118 HydrophobicContact CG1-CB 4Å; V114-L120 HydrophobicContact CG1-CB 4.29Å; V114-L120 HydrophobicContact CG2-CD1 4.09Å; V114-A158 HydrophobicContact CG1-CB 4.01Å; V114-V190 CarbonylContact O-C 3.17Å; V114-V190 WeakPolarHBondContact O-CA 3.39Å; V114-Q191 PolarHBondContact O-N 2.69Å
115F95.8Very high96Very high8 Ų828.3 Ų28.34%0.03516%0.155CC..EExtended strand (participates in β ladder)trans-93.6161.6176.3-69.9-94.6000111.9P113 G117 E118 Q191 L193 H224 Q226 K227P113-F115 HydrophobicContact CB-CE2 4.31Å; P113-F115 HydrophobicContact CG-CE2 4.2Å; F115-G117 PolarHBondContact O-N 3.23Å; F115-E118 HydrophobicContact CB-CG 4.25Å; F115-E118 WeakPolarHBondContact CB-OE2 3.37Å; F115-E118 PolarHBondContact N-OE2 2.8Å; F115-E118 WeakPolarHBondContact O-CB 3.47Å; F115-E118 PolarHBondContact O-N 2.86Å; F115-E118 VanDerWaalsContact O-N 3.1Å; F115-Q191 WeakPolarHBondContact CA-O 3.28Å; F115-Q191 HydrophobicContact CD1-CB 3.54Å; F115-Q191 HydrophobicContact CE1-CB 3.52Å; F115-Q191 HydrophobicContact CE1-CG 4.27Å; F115-Q191 HydrophobicContact CG-CB 4.13Å; F115-Q191 HydrophobicContact CZ-CB 4.13Å; F115-Q191 HydrophobicContact CZ-CG 4.42Å; F115-L193 HydrophobicContact CB-CD1 4.37Å; F115-L193 HydrophobicContact CD1-CD1 4.47Å; F115-H224 HydrophobicContact CE1-CB 3.96Å; F115-H224 AromaticContact CE1-CD2 3.99Å; F115-H224 AromaticContact CE1-CE1 3.92Å; F115-H224 AromaticContact CE1-CG 3.58Å; F115-H224 AromaticContact CE1-ND1 3.52Å; F115-H224 AromaticContact CZ-ND1 3.92Å; F115-Q226 HydrophobicContact CZ-CB 4.18Å; F115-K227 HydrophobicContact CD1-CG 3.98Å; F115-K227 HydrophobicContact CD2-CD 4.37Å; F115-K227 HydrophobicContact CD2-CG 4.23Å; F115-K227 HydrophobicContact CE1-CG 3.96Å; F115-K227 HydrophobicContact CE2-CG 4.19Å; F115-K227 HydrophobicContact CG-CG 4.12Å; F115-K227 HydrophobicContact CZ-CG 4.06Å
116E96.8Very high96Very high22 Ų2228.3 Ų28.310%0.10316%0.155CC..THydrogen-bonded Turntrans-51.4136.7171.1-69.2176.3126.600111.5E118 A158 V190 Q191 E192 L193 V276 K278E116-E118 PolarHBondContact O-N 3.06Å; E116-A158 CarbonylContact C-O 3.56Å; E116-A158 WeakPolarHBondContact CA-O 3.47Å; E116-V190 HydrophobicContact CG-CG1 4.19Å; E116-Q191 PolarHBondContact N-O 2.68Å; E116-E192 WeakPolarHBondContact OE2-CG 3.41Å; E116-L193 HydrophobicContact CB-CB 4.11Å; E116-L193 PolarHBondContact OE2-N 2.91Å; E116-V276 HydrophobicContact CB-CG1 4.22Å; E116-V276 HydrophobicContact CB-CG2 3.75Å; E116-V276 WeakPolarHBondContact O-CG2 3.28Å; E116-K278 IonicContact OE1-NZ 3.64Å; E116-K278 PolarHBondContact OE1-NZ 3.44Å; E116-K278 WeakPolarHBondContact OE2-CE 3.46Å; E116-K278 IonicContact OE2-NZ 2.91Å; E116-K278 PolarHBondContact OE2-NZ 3.17Å
117G94.5Very high95.8Very high15 Ų1532.9 Ų32.916%0.15517%0.172CC..THydrogen-bonded Turntrans79.2-9-178.500000115.4F115 A158F115-G117 PolarHBondContact O-N 3.23Å; G117-A158 PolarHBondContact N-O 3.3Å
118E94.8Very high95.4Very high62 Ų6240.8 Ų40.829%0.2920%0.203SC..SBendtrans-83.4157.3171.1-62.3-175.3150.600111.1V114 F115 E116 L120 A158 K227V114-E118 HydrophobicContact CG1-CB 4Å; F115-E118 HydrophobicContact CB-CG 4.25Å; F115-E118 WeakPolarHBondContact CB-OE2 3.37Å; F115-E118 PolarHBondContact N-OE2 2.8Å; F115-E118 WeakPolarHBondContact O-CB 3.47Å; F115-E118 PolarHBondContact O-N 2.86Å; F115-E118 VanDerWaalsContact O-N 3.1Å; E116-E118 PolarHBondContact O-N 3.06Å; E118-L120 PolarHBondContact O-N 2.92Å; E118-A158 WeakPolarHBondContact O-CB 3.3Å; E118-A158 PolarHBondContact O-N 3.39Å; E118-K227 IonicContact OE1-NZ 2.79Å; E118-K227 PolarHBondContact OE1-NZ 2.96Å; E118-K227 IonicContact OE2-NZ 3.66Å
119P96.2Very high95.2Very high78 Ų7844.7 Ų44.751%0.50622%0.224SC..PPolyproline II helixtrans-78.6120.9178.429.9-33.7000112T154 V155P119-T154 HydrophobicContact CB-CG2 4.32Å; P119-V155 CarbonylContact C-O 3.57Å; P119-V155 VanDerWaalsContact CA-O 3.3Å; P119-V155 WeakPolarHBondContact CA-O 3.35Å
120L96.7Very high95Very high0 Ų049.3 Ų49.30%024%0.244CC..EExtended strand (participates in β ladder)trans-87.7117.2168.2171.762.9000109.2P110 V114 E118 L122 T154 V155 A158 Y166 V188P110-L120 HydrophobicContact CG-CD1 4.17Å; V114-L120 HydrophobicContact CG1-CB 4.29Å; V114-L120 HydrophobicContact CG2-CD1 4.09Å; E118-L120 PolarHBondContact O-N 2.92Å; L120-L122 HydrophobicContact CD1-CD2 4.05Å; L120-L122 HydrophobicContact CG-CD2 4.34Å; L120-L122 HydrophobicContact CG-CG 4.3Å; L120-T154 CarbonylContact O-C 3.57Å; L120-T154 WeakPolarHBondContact O-CA 3.28Å; L120-V155 HydrophobicContact CB-CB 4.27Å; L120-V155 PolarHBondContact N-O 3.07Å; L120-V155 PolarHBondContact O-N 2.74Å; L120-A158 HydrophobicContact CB-CB 4.28Å; L120-Y166 HydrophobicContact CD2-CE2 4.32Å; L120-V188 HydrophobicContact CD1-CG1 3.83Å; L120-V188 HydrophobicContact CD2-CG1 3.91Å
121V97.3Very high94.9Very high42 Ų4250.9 Ų50.926%0.25525%0.253SS..EExtended strand (participates in β ladder)trans-110.5122.4178.5-174.60000110.3W31 P110 N152 T154W31-V121 HydrophobicContact CH2-CG1 4.26Å; P110-V121 WeakPolarHBondContact CD-O 3.36Å; V121-N152 HydrophobicContact CG1-CB 4.16Å; V121-T154 HydrophobicContact CG2-CG2 3.96Å
122L97.9Very high95Very high0 Ų047.8 Ų47.80%024%0.24CC..EExtended strand (participates in β ladder)trans-113.7134.4177.1-57.5173.8000109.2L107 V109 L120 Y137 N152 Y153 Y166 V188L107-L122 HydrophobicContact CD1-CB 4.3Å; V109-L122 HydrophobicContact CB-CD2 4.08Å; V109-L122 HydrophobicContact CG1-CD2 3.6Å; L120-L122 HydrophobicContact CD1-CD2 4.05Å; L120-L122 HydrophobicContact CG-CD2 4.34Å; L120-L122 HydrophobicContact CG-CG 4.3Å; L122-Y137 HydrophobicContact CB-CE1 4.14Å; L122-Y137 PolarHBondContact O-OH 3.5Å; L122-N152 CarbonylContact O-C 3.59Å; L122-N152 WeakPolarHBondContact O-CA 3.32Å; L122-Y153 HydrophobicContact CD1-CD1 3.85Å; L122-Y153 HydrophobicContact CD1-CE1 4.23Å; L122-Y153 PolarHBondContact N-O 3.3Å; L122-Y153 PolarHBondContact O-N 2.87Å; L122-Y166 HydrophobicContact CD1-CD1 3.44Å; L122-Y166 VanDerWaalsContact CD1-CD1 3.44Å; L122-Y166 HydrophobicContact CD1-CD2 4.22Å; L122-Y166 HydrophobicContact CD1-CE1 3.63Å; L122-Y166 HydrophobicContact CD1-CE2 4.35Å; L122-Y166 HydrophobicContact CD1-CG 3.75Å; L122-V188 HydrophobicContact CD2-CG2 4.24Å
123R98Very high95.1Very high77 Ų7748 Ų4829%0.29123%0.234SC..EExtended strand (participates in β ladder)trans-125111179175.4175.9-179.1-162.8-3.1110.7W31 Q108 D129 N152W31-R123 HydrophobicContact CH2-CB 4.15Å; W31-R123 HydrophobicContact CZ2-CB 4.36Å; W31-R123 HydrophobicContact CZ3-CB 4.42Å; Q108-R123 HydrophobicContact CB-CB 4.2Å; Q108-R123 WeakPolarHBondContact CB-O 3.29Å; Q108-R123 PolarHBondContact N-O 2.97Å; Q108-R123 PolarHBondContact O-N 2.62Å; R123-D129 IonicContact NH2-OD1 3.65Å; R123-D129 PolarHBondContact NH2-OD1 3.04Å; R123-N152 WeakPolarHBondContact CB-OD1 3.5Å; R123-N152 WeakPolarHBondContact CG-OD1 3.37Å
124C98Very high95.3Very high4 Ų450.6 Ų50.63%0.02724%0.238CC..EExtended strand (participates in β ladder)trans-76.6133.2164.1-165.30000109.3I106 L135 Y137 C168I106-C124 WeakPolarHBondContact O-CA 3.36Å; C124-L135 HydrophobicContact CB-CD1 3.58Å; C124-L135 HydrophobicContact CB-CD2 4.22Å; C124-L135 VanDerWaalsContact SG-CD1 3.56Å; C124-Y137 HydrophobicContact CB-CE1 3.97Å; C124-Y137 PolarHBondContact N-OH 3.24Å; C124-C168 HydrophobicContact CB-CB 3.52Å; C124-C168 WeakPolarHBondContact CB-SG 3.46Å; C124-C168 WeakPolarHBondContact SG-CB 3.01Å; C124-C168 CovalentContact SG-SG 2.04Å; C124-C168 PolarHBondContact SG-SG 2.88Å
125R96.6Very high95.4Very high19 Ų1950.1 Ų50.17%0.07224%0.235CC..EExtended strand (participates in β ladder)trans-132.9133.2-179.1-162.6167.965.7118.5-3110.3F35 E38 L105 I106 D129F35-R125 HydrophobicContact CE2-CG 4.35Å; F35-R125 WeakPolarHBondContact CZ-O 3.43Å; E38-R125 IonicContact OE1-CZ 2.73Å; E38-R125 VanDerWaalsContact OE1-CZ 3.22Å; E38-R125 IonicContact OE1-NH1 2.75Å; E38-R125 PolarHBondContact OE1-NH1 2.97Å; E38-R125 IonicContact OE1-NH2 3.9Å; E38-R125 PolarHBondContact OE1-NH2 2.83Å; E38-R125 IonicContact OE2-CZ 2.65Å; E38-R125 IonicContact OE2-NH1 2.72Å; E38-R125 IonicContact OE2-NH2 2.94Å; E38-R125 PolarHBondContact OE2-NH2 2.89Å; L105-R125 WeakPolarHBondContact CA-O 3.47Å; I106-R125 HydrophobicContact CG1-CB 4.06Å; I106-R125 PolarHBondContact N-O 2.88Å; I106-R125 PolarHBondContact O-N 3.31Å; R125-D129 WeakPolarHBondContact CD-OD1 3.28Å; R125-D129 WeakPolarHBondContact CG-OD1 3.43Å; R125-D129 IonicContact NH1-OD1 3.31Å; R125-D129 IonicContact NH1-OD2 2.71Å; R125-D129 PolarHBondContact NH1-OD2 3.39Å
126G95.2Very high95.5Very high1 Ų152.7 Ų52.71%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-83151.5172.500000111.9F35 D129 M172F35-G126 WeakPolarHBondContact CE2-O 3.36Å; F35-G126 VanDerWaalsContact CZ-C 3.48Å; G126-D129 WeakPolarHBondContact O-CA 3.48Å; G126-D129 PolarHBondContact O-N 3.02Å; G126-M172 WeakPolarHBondContact CA-SD 3.35Å
127W93Very high95.6Very high98 Ų9851.6 Ų51.637%0.37124%0.242SC..G310 helixtrans-57.9140.5176-173.355000111.5F35 W104 D129 K130 M172F35-W127 AromaticContact CD1-CD1 3.9Å; F35-W127 HydrophobicContact CE1-CB 4.08Å; F35-W127 AromaticContact CG-CD1 3.98Å; F35-W127 VanDerWaalsContact CZ-CA 3.47Å; F35-W127 HydrophobicContact CZ-CB 4.06Å; F35-W127 VanDerWaalsContact CZ-N 3.31Å; W104-W127 AromaticContact CE3-CE3 3.87Å; W104-W127 HydrophobicContact CE3-CE3 3.87Å; W104-W127 HydrophobicContact CE3-CZ3 4.45Å; W104-W127 HydrophobicContact CH2-CE3 4.43Å; W104-W127 HydrophobicContact CH2-CZ3 4.21Å; W104-W127 AromaticContact CZ3-CE3 3.49Å; W104-W127 HydrophobicContact CZ3-CE3 3.49Å; W104-W127 VanDerWaalsContact CZ3-CE3 3.49Å; W104-W127 AromaticContact CZ3-CZ3 3.68Å; W104-W127 HydrophobicContact CZ3-CZ3 3.68Å; W104-W127 PolarHBondContact O-N 2.67Å; W127-D129 PolarHBondContact O-N 2.79Å; W127-K130 WeakPolarHBondContact O-CB 3.35Å; W127-K130 WeakPolarHBondContact O-CG 3.22Å; W127-K130 PolarHBondContact O-N 2.93Å; W127-M172 HydrophobicContact CB-CE 4.44Å
128Y90.9Very high95.8Very high169 Ų16952.9 Ų52.966%0.66324%0.242SC*.G310 helixtrans50.535.9-167.2-70.4-70.3000114.3K130Y128-K130 PolarHBondContact O-N 2.76Å
129D92.4Very high95.9Very high87 Ų8751.8 Ų51.847%0.46524%0.237SC..G310 helixtrans5225.2-178.3-82.6-81.7000114.2R123 R125 G126 W127R123-D129 IonicContact NH2-OD1 3.65Å; R123-D129 PolarHBondContact NH2-OD1 3.04Å; R125-D129 WeakPolarHBondContact CD-OD1 3.28Å; R125-D129 WeakPolarHBondContact CG-OD1 3.43Å; R125-D129 IonicContact NH1-OD1 3.31Å; R125-D129 IonicContact NH1-OD2 2.71Å; R125-D129 PolarHBondContact NH1-OD2 3.39Å; G126-D129 WeakPolarHBondContact O-CA 3.48Å; G126-D129 PolarHBondContact O-N 3.02Å; W127-D129 PolarHBondContact O-N 2.79Å
130K92.8Very high96Very high104 Ų10452.3 Ų52.345%0.45224%0.236SC..  trans-64146.6177.2-70.6-171.6-169.2-57.60111.2W127 Y128 V132 M172W127-K130 WeakPolarHBondContact O-CB 3.35Å; W127-K130 WeakPolarHBondContact O-CG 3.22Å; W127-K130 PolarHBondContact O-N 2.93Å; Y128-K130 PolarHBondContact O-N 2.76Å; K130-V132 PolarHBondContact O-N 2.81Å; K130-M172 HydrophobicContact CB-SD 4Å
131V94.1Very high95.9Very high63 Ų6354.5 Ų54.538%0.38226%0.258SS..  trans-64.5126.1177.9-177.30000110.2Y133V131-Y133 HydrophobicContact CB-CE2 4.03Å; V131-Y133 HydrophobicContact CG1-CD1 4.29Å; V131-Y133 HydrophobicContact CG1-CD2 4.41Å; V131-Y133 HydrophobicContact CG1-CE1 3.9Å; V131-Y133 HydrophobicContact CG1-CE2 4.02Å
132V95.4Very high95.9Very high0 Ų059.7 Ų59.70%028%0.28CS..EExtended strand (participates in β ladder)trans-93.1111.5173.9-173.40000107.5L105 K130 L135 S149 S150 M172L105-V132 HydrophobicContact CD1-CG1 4.31Å; L105-V132 HydrophobicContact CD2-CG1 4.09Å; L105-V132 HydrophobicContact CD2-CG2 3.58Å; K130-V132 PolarHBondContact O-N 2.81Å; V132-L135 HydrophobicContact CG1-CB 4.33Å; V132-L135 HydrophobicContact CG1-CD1 4.26Å; V132-S149 CarbonylContact O-C 3.51Å; V132-S149 WeakPolarHBondContact O-CA 3.35Å; V132-S150 PolarHBondContact N-OG 2.86Å; V132-S150 PolarHBondContact O-N 2.82Å; V132-M172 HydrophobicContact CG2-CG 4.18Å; V132-M172 HydrophobicContact CG2-SD 4.36Å
133Y94.6Very high95.9Very high71 Ų7162.9 Ų62.928%0.27831%0.306SS..EExtended strand (participates in β ladder)trans-88.9152.4176.8-60.6-84000110.8V131 L135 H148 T171 R173V131-Y133 HydrophobicContact CB-CE2 4.03Å; V131-Y133 HydrophobicContact CG1-CD1 4.29Å; V131-Y133 HydrophobicContact CG1-CD2 4.41Å; V131-Y133 HydrophobicContact CG1-CE1 3.9Å; V131-Y133 HydrophobicContact CG1-CE2 4.02Å; Y133-L135 VanDerWaalsContact C-N 3.27Å; Y133-L135 PolarHBondContact O-N 2.89Å; Y133-H148 WeakPolarHBondContact CA-O 3.25Å; Y133-T171 WeakPolarHBondContact CB-O 3.45Å; Y133-T171 PolarHBondContact N-O 3.48Å; Y133-T171 PolarHBondContact O-N 2.86Å; Y133-R173 HydrophobicContact CD2-CG 4.26Å; Y133-R173 HydrophobicContact CE2-CG 3.76Å; Y133-R173 VanDerWaalsContact OH-CZ 3.31Å; Y133-R173 PolarHBondContact OH-NH1 3.17Å
134K95.4Very high95.8Very high133 Ų13362 Ų6258%0.57831%0.309SS*.EExtended strand (participates in β ladder)trans51.847.2-178.1-55.6177.2-179.8177.50111.7H136 Y146 F147 H148K134-H136 PolarHBondContact O-CD2 2.97Å; K134-H136 VanDerWaalsContact O-CD2 3.3Å; K134-H136 PolarHBondContact O-N 2.82Å; K134-Y146 HydrophobicContact CB-CE2 4.17Å; K134-F147 CarbonylContact C-O 3.5Å; K134-H148 PolarHBondContact N-O 3.01Å
135L97.4Very high95.8Very high0 Ų068.2 Ų68.20%033%0.332CS..EExtended strand (participates in β ladder)trans-70.6120.2-174.8169.258.5000110.6C124 V132 Y133 Y137 Y146 F147 C168 S169C124-L135 HydrophobicContact CB-CD1 3.58Å; C124-L135 HydrophobicContact CB-CD2 4.22Å; C124-L135 VanDerWaalsContact SG-CD1 3.56Å; V132-L135 HydrophobicContact CG1-CB 4.33Å; V132-L135 HydrophobicContact CG1-CD1 4.26Å; Y133-L135 VanDerWaalsContact C-N 3.27Å; Y133-L135 PolarHBondContact O-N 2.89Å; L135-Y137 HydrophobicContact CD1-CD2 4.44Å; L135-Y137 HydrophobicContact CD1-CE2 4.11Å; L135-Y137 HydrophobicContact CD2-CE2 3.7Å; L135-Y137 HydrophobicContact CG-CD2 4.27Å; L135-Y137 HydrophobicContact CG-CE2 3.85Å; L135-Y146 CarbonylContact O-C 3.55Å; L135-Y146 WeakPolarHBondContact O-CA 3.09Å; L135-F147 HydrophobicContact CB-CB 4.35Å; L135-F147 HydrophobicContact CD2-CD2 4.35Å; L135-F147 HydrophobicContact CG-CD2 4.44Å; L135-F147 PolarHBondContact N-O 3.43Å; L135-F147 PolarHBondContact O-N 2.8Å; L135-C168 HydrophobicContact CD1-CB 4.01Å; L135-S169 WeakPolarHBondContact CA-O 3.22Å
136H98.1Very high95.8Very high61 Ų6171.6 Ų71.628%0.28235%0.345SS..EExtended strand (participates in β ladder)trans-109.9139.5169.6-71-92.4000110.9K134 Y138 R145 Y146 C168 S169K134-H136 PolarHBondContact O-CD2 2.97Å; K134-H136 VanDerWaalsContact O-CD2 3.3Å; K134-H136 PolarHBondContact O-N 2.82Å; H136-Y138 HydrophobicContact CB-CD2 4.42Å; H136-Y138 HydrophobicContact CB-CE2 3.57Å; H136-R145 WeakPolarHBondContact CA-O 3.48Å; H136-Y146 AromaticContact CD2-CD2 3.86Å; H136-Y146 AromaticContact CE1-CD2 3.39Å; H136-Y146 WeakPolarHBondContact CE1-CD2 3.32Å; H136-Y146 AromaticContact ND1-CD2 3.83Å; H136-Y146 AromaticContact NE2-CD2 3.39Å; H136-Y146 WeakPolarHBondContact NE2-CD2 3.39Å; H136-Y146 AromaticContact NE2-CE2 3.79Å; H136-C168 CarbonylContact O-C 3.53Å; H136-C168 WeakPolarHBondContact O-CA 3.38Å; H136-C168 WeakPolarHBondContact O-CB 3.37Å; H136-S169 PolarHBondContact N-O 3.37Å; H136-S169 PolarHBondContact O-N 2.97Å
137Y98.4Very high96Very high0 Ų073.7 Ų73.70%035%0.354CS..EExtended strand (participates in β ladder)trans-106.5140.4165-71.5-93.8000109.7L107 L122 C124 L135 A143 V144 R145 F147 A151 Y153 C168L107-Y137 HydrophobicContact CD1-CD1 4.17Å; L107-Y137 HydrophobicContact CD1-CE1 3.8Å; L122-Y137 HydrophobicContact CB-CE1 4.14Å; L122-Y137 PolarHBondContact O-OH 3.5Å; C124-Y137 HydrophobicContact CB-CE1 3.97Å; C124-Y137 PolarHBondContact N-OH 3.24Å; L135-Y137 HydrophobicContact CD1-CD2 4.44Å; L135-Y137 HydrophobicContact CD1-CE2 4.11Å; L135-Y137 HydrophobicContact CD2-CE2 3.7Å; L135-Y137 HydrophobicContact CG-CD2 4.27Å; L135-Y137 HydrophobicContact CG-CE2 3.85Å; Y137-A143 CarbonylContact O-C 3.56Å; Y137-A143 WeakPolarHBondContact O-CA 3.45Å; Y137-V144 WeakPolarHBondContact O-CG2 3.35Å; Y137-V144 PolarHBondContact O-N 3.37Å; Y137-R145 HydrophobicContact CD2-CB 4.44Å; Y137-R145 PolarHBondContact N-O 2.83Å; Y137-R145 PolarHBondContact O-N 2.85Å; Y137-F147 HydrophobicContact CD2-CD2 4.01Å; Y137-F147 AromaticContact CD2-CE2 3.81Å; Y137-F147 HydrophobicContact CD2-CE2 3.81Å; Y137-F147 AromaticContact CE2-CD2 3.82Å; Y137-F147 HydrophobicContact CE2-CD2 3.82Å; Y137-F147 AromaticContact CE2-CE2 3.65Å; Y137-F147 HydrophobicContact CE2-CE2 3.65Å; Y137-A151 WeakPolarHBondContact CE2-O 3Å; Y137-A151 PolarHBondContact OH-O 3.14Å; Y137-Y153 HydrophobicContact CD1-CD1 4.15Å; Y137-Y153 HydrophobicContact CD2-CG 4.36Å; Y137-Y153 AromaticContact CG-CD1 3.98Å; Y137-Y153 HydrophobicContact CG-CD1 3.98Å; Y137-Y153 HydrophobicContact CG-CG 4.23Å; Y137-C168 HydrophobicContact CD1-CB 4.2Å; Y137-C168 HydrophobicContact CE1-CB 4.33Å
138Y98.3Very high96.1Very high42 Ų4275.9 Ų75.917%0.16537%0.368CS..EExtended strand (participates in β ladder)trans-122.3144.7179.9-54.3-104.7000110.3H136 Q142 A143 Y166 Q167 S169 F182H136-Y138 HydrophobicContact CB-CD2 4.42Å; H136-Y138 HydrophobicContact CB-CE2 3.57Å; Y138-Q142 CarbonylContact C-O 3.57Å; Y138-Q142 WeakPolarHBondContact CA-O 3.27Å; Y138-A143 HydrophobicContact CD1-CB 3.97Å; Y138-A143 HydrophobicContact CE1-CB 3.91Å; Y138-Y166 VanDerWaalsContact O-CA 3.25Å; Y138-Y166 WeakPolarHBondContact O-CA 3.44Å; Y138-Y166 VanDerWaalsContact O-CD1 3.31Å; Y138-Y166 WeakPolarHBondContact O-CD1 3.2Å; Y138-Q167 PolarHBondContact N-O 3.18Å; Y138-Q167 PolarHBondContact O-N 2.88Å; Y138-S169 VanDerWaalsContact CE2-OG 3.3Å; Y138-S169 WeakPolarHBondContact CE2-OG 3.3Å; Y138-S169 PolarHBondContact OH-OG 2.81Å; Y138-F182 HydrophobicContact CE2-CE1 4.27Å
139H97.9Very high96.4Very high38 Ų3870.7 Ų70.718%0.17636%0.356CS..EExtended strand (participates in β ladder)trans-124.9121.9170.8173.8-123.7000107.3G141 Q142 V144 S163 Y166H139-G141 PolarHBondContact O-N 2.83Å; H139-Q142 PolarHBondContact N-O 3.4Å; H139-Q142 PolarHBondContact O-N 3.21Å; H139-V144 HydrophobicContact CB-CG1 3.65Å; H139-V144 HydrophobicContact CB-CG2 4.22Å; H139-S163 PolarHBondContact NE2-O 3.3Å; H139-Y166 HydrophobicContact CB-CD1 4.05Å; H139-Y166 HydrophobicContact CB-CE1 3.69Å; H139-Y166 AromaticContact CD2-CE1 3.82Å; H139-Y166 AromaticContact CD2-CE2 3.76Å; H139-Y166 AromaticContact CD2-CZ 3.51Å; H139-Y166 AromaticContact CG-CE1 3.98Å
140D97.1Very high96.5Very high90 Ų9069 Ų6948%0.48135%0.352SS..THydrogen-bonded Turntrans46.936.1-175.2-67.1-40.1000114.5G164 R165D140-G164 WeakPolarHBondContact OD2-CA 3.31Å; D140-R165 PolarHBondContact N-O 3.3Å; D140-R165 WeakPolarHBondContact OD1-CB 3.32Å; D140-R165 PolarHBondContact OD1-N 3Å
141G95.4Very high96.8Very high46 Ų4665.6 Ų65.647%0.47434%0.342SS..THydrogen-bonded Turntrans89-10.1178.900000115.4H139H139-G141 PolarHBondContact O-N 2.83Å
142Q97.2Very high96.9Very high151 Ų15166.4 Ų66.471%0.70635%0.345SS*.EExtended strand (participates in β ladder)trans-92.4136176.7-59.9-174.644.800110.9Y138 H139 V144Y138-Q142 CarbonylContact C-O 3.57Å; Y138-Q142 WeakPolarHBondContact CA-O 3.27Å; H139-Q142 PolarHBondContact N-O 3.4Å; H139-Q142 PolarHBondContact O-N 3.21Å; Q142-V144 PolarHBondContact O-N 3.41Å
143A96.7Very high97Very high66 Ų6668.1 Ų68.155%0.54535%0.351SS..EExtended strand (participates in β ladder)trans-72.7115.9178.200000110.9Y137 Y138Y137-A143 CarbonylContact O-C 3.56Å; Y137-A143 WeakPolarHBondContact O-CA 3.45Å; Y138-A143 HydrophobicContact CD1-CB 3.97Å; Y138-A143 HydrophobicContact CE1-CB 3.91Å
144V97.1Very high97.2Very high59 Ų5967.4 Ų67.436%0.35836%0.355SS..EExtended strand (participates in β ladder)trans-101.8-23.3-177-69.30000113.8Y137 H139 Q142 Y153Y137-V144 WeakPolarHBondContact O-CG2 3.35Å; Y137-V144 PolarHBondContact O-N 3.37Å; H139-V144 HydrophobicContact CB-CG1 3.65Å; H139-V144 HydrophobicContact CB-CG2 4.22Å; Q142-V144 PolarHBondContact O-N 3.41Å; V144-Y153 HydrophobicContact CG2-CD1 4.41Å; V144-Y153 HydrophobicContact CG2-CE1 3.63Å
145R97.7Very high97.2Very high134 Ų13462.1 Ų62.151%0.50633%0.334SS..EExtended strand (participates in β ladder)trans-150.8146.3-180-158.968.1-175.6-164.50.4112H136 Y137 F147 Y153H136-R145 WeakPolarHBondContact CA-O 3.48Å; Y137-R145 HydrophobicContact CD2-CB 4.44Å; Y137-R145 PolarHBondContact N-O 2.83Å; Y137-R145 PolarHBondContact O-N 2.85Å; R145-F147 HydrophobicContact CB-CE2 4.2Å; R145-F147 HydrophobicContact CG-CD2 4.11Å; R145-F147 HydrophobicContact CG-CE1 4.38Å; R145-F147 HydrophobicContact CG-CE2 3.36Å; R145-F147 HydrophobicContact CG-CZ 3.53Å; R145-Y153 HydrophobicContact CB-CD2 4.04Å; R145-Y153 HydrophobicContact CB-CE2 4.23Å; R145-Y153 HydrophobicContact CB-CG 4.24Å; R145-Y153 HydrophobicContact CG-CD2 3.97Å; R145-Y153 HydrophobicContact CG-CE2 4.38Å; R145-Y153 HydrophobicContact CG-CG 4.47Å
146Y97.8Very high97.1Very high91 Ų9168.8 Ų68.836%0.35737%0.369SS..EExtended strand (participates in β ladder)trans-125.5144.7172.3170.1-101.7000110.4K134 L135 H136 H148K134-Y146 HydrophobicContact CB-CE2 4.17Å; L135-Y146 CarbonylContact O-C 3.55Å; L135-Y146 WeakPolarHBondContact O-CA 3.09Å; H136-Y146 AromaticContact CD2-CD2 3.86Å; H136-Y146 AromaticContact CE1-CD2 3.39Å; H136-Y146 WeakPolarHBondContact CE1-CD2 3.32Å; H136-Y146 AromaticContact ND1-CD2 3.83Å; H136-Y146 AromaticContact NE2-CD2 3.39Å; H136-Y146 WeakPolarHBondContact NE2-CD2 3.39Å; H136-Y146 AromaticContact NE2-CE2 3.79Å; Y146-H148 AromaticContact CE1-CD2 3.97Å; Y146-H148 AromaticContact CE1-CE1 3.88Å; Y146-H148 AromaticContact CE1-NE2 3.81Å; Y146-H148 PolarHBondContact OH-ND1 2.87Å
147F97.9Very high97Very high44 Ų4470.5 Ų70.519%0.19338%0.376CS..EExtended strand (participates in β ladder)trans-140.5145.8171.3-58.7-84.7000110K134 L135 Y137 R145 S149 A151K134-F147 CarbonylContact C-O 3.5Å; L135-F147 HydrophobicContact CB-CB 4.35Å; L135-F147 HydrophobicContact CD2-CD2 4.35Å; L135-F147 HydrophobicContact CG-CD2 4.44Å; L135-F147 PolarHBondContact N-O 3.43Å; L135-F147 PolarHBondContact O-N 2.8Å; Y137-F147 HydrophobicContact CD2-CD2 4.01Å; Y137-F147 AromaticContact CD2-CE2 3.81Å; Y137-F147 HydrophobicContact CD2-CE2 3.81Å; Y137-F147 AromaticContact CE2-CD2 3.82Å; Y137-F147 HydrophobicContact CE2-CD2 3.82Å; Y137-F147 AromaticContact CE2-CE2 3.65Å; Y137-F147 HydrophobicContact CE2-CE2 3.65Å; R145-F147 HydrophobicContact CB-CE2 4.2Å; R145-F147 HydrophobicContact CG-CD2 4.11Å; R145-F147 HydrophobicContact CG-CE1 4.38Å; R145-F147 HydrophobicContact CG-CE2 3.36Å; R145-F147 HydrophobicContact CG-CZ 3.53Å; F147-S149 VanDerWaalsContact C-N 3.28Å; F147-S149 WeakPolarHBondContact CB-O 3.31Å; F147-S149 PolarHBondContact O-N 3.11Å; F147-A151 HydrophobicContact CB-CB 4.14Å; F147-A151 HydrophobicContact CD1-CB 3.64Å; F147-A151 HydrophobicContact CD2-CB 4.12Å; F147-A151 HydrophobicContact CE1-CB 3.94Å; F147-A151 HydrophobicContact CE2-CB 4.38Å; F147-A151 HydrophobicContact CG-CB 3.73Å; F147-A151 HydrophobicContact CZ-CB 4.29Å
148H96.4Very high96.9Very high145 Ų14570.6 Ų70.667%0.67138%0.378SS*.SBendtrans-68.7-27.4178.3-71-86.9000113.3Y133 K134 Y146Y133-H148 WeakPolarHBondContact CA-O 3.25Å; K134-H148 PolarHBondContact N-O 3.01Å; Y146-H148 AromaticContact CE1-CD2 3.97Å; Y146-H148 AromaticContact CE1-CE1 3.88Å; Y146-H148 AromaticContact CE1-NE2 3.81Å; Y146-H148 PolarHBondContact OH-ND1 2.87Å
149S95.4Very high96.7Very high59 Ų5976.1 Ų76.141%0.41340%0.398SS..SBendtrans-143.2176.4-178.355.70000110.9V132 F147 A151V132-S149 CarbonylContact O-C 3.51Å; V132-S149 WeakPolarHBondContact O-CA 3.35Å; F147-S149 VanDerWaalsContact C-N 3.28Å; F147-S149 WeakPolarHBondContact CB-O 3.31Å; F147-S149 PolarHBondContact O-N 3.11Å; S149-A151 PolarHBondContact O-N 2.89Å; S149-A151 VanDerWaalsContact O-N 3.16Å
150S96.2Very high96.5Very high53 Ų5377 Ų7737%0.37141%0.412SS..  trans-49.3117.3176.2-61.30000112.4V132V132-S150 PolarHBondContact N-OG 2.86Å; V132-S150 PolarHBondContact O-N 2.82Å
151A97.5Very high96.3Very high31 Ų3176.6 Ų76.626%0.25642%0.416SS..  trans-149.2148.6175.600000110.2Y137 F147 S149Y137-A151 WeakPolarHBondContact CE2-O 3Å; Y137-A151 PolarHBondContact OH-O 3.14Å; F147-A151 HydrophobicContact CB-CB 4.14Å; F147-A151 HydrophobicContact CD1-CB 3.64Å; F147-A151 HydrophobicContact CD2-CB 4.12Å; F147-A151 HydrophobicContact CE1-CB 3.94Å; F147-A151 HydrophobicContact CE2-CB 4.38Å; F147-A151 HydrophobicContact CG-CB 3.73Å; F147-A151 HydrophobicContact CZ-CB 4.29Å; S149-A151 PolarHBondContact O-N 2.89Å; S149-A151 VanDerWaalsContact O-N 3.16Å
152N97.9Very high96.3Very high81 Ų8175.9 Ų75.943%0.43340%0.401SS..EExtended strand (participates in β ladder)trans-73.2139.6172.4-63.1-11.3000109.6V121 L122 R123V121-N152 HydrophobicContact CG1-CB 4.16Å; L122-N152 CarbonylContact O-C 3.59Å; L122-N152 WeakPolarHBondContact O-CA 3.32Å; R123-N152 WeakPolarHBondContact CB-OD1 3.5Å; R123-N152 WeakPolarHBondContact CG-OD1 3.37Å
153Y97.6Very high96.3Very high35 Ų3570.3 Ų70.314%0.13738%0.379CS..EExtended strand (participates in β ladder)trans-96.5115.5168.3172.4-141.6000109.2L122 Y137 V144 R145 V155 Y166L122-Y153 HydrophobicContact CD1-CD1 3.85Å; L122-Y153 HydrophobicContact CD1-CE1 4.23Å; L122-Y153 PolarHBondContact N-O 3.3Å; L122-Y153 PolarHBondContact O-N 2.87Å; Y137-Y153 HydrophobicContact CD1-CD1 4.15Å; Y137-Y153 HydrophobicContact CD2-CG 4.36Å; Y137-Y153 AromaticContact CG-CD1 3.98Å; Y137-Y153 HydrophobicContact CG-CD1 3.98Å; Y137-Y153 HydrophobicContact CG-CG 4.23Å; V144-Y153 HydrophobicContact CG2-CD1 4.41Å; V144-Y153 HydrophobicContact CG2-CE1 3.63Å; R145-Y153 HydrophobicContact CB-CD2 4.04Å; R145-Y153 HydrophobicContact CB-CE2 4.23Å; R145-Y153 HydrophobicContact CB-CG 4.24Å; R145-Y153 HydrophobicContact CG-CD2 3.97Å; R145-Y153 HydrophobicContact CG-CE2 4.38Å; R145-Y153 HydrophobicContact CG-CG 4.47Å; Y153-V155 HydrophobicContact CE1-CG2 4.34Å; Y153-V155 HydrophobicContact CE2-CG2 4.18Å; Y153-Y166 HydrophobicContact CE1-CE1 4.17Å
154T97.5Very high96.2Very high57 Ų5768 Ų6835%0.3536%0.362SS..EExtended strand (participates in β ladder)trans-112.5124.3178.8-55.10000110.8P119 L120 V121 L156P119-T154 HydrophobicContact CB-CG2 4.32Å; L120-T154 CarbonylContact O-C 3.57Å; L120-T154 WeakPolarHBondContact O-CA 3.28Å; V121-T154 HydrophobicContact CG2-CG2 3.96Å; T154-L156 HydrophobicContact CG2-CD2 4.02Å
155V96.7Very high96.3Very high22 Ų2272.5 Ų72.513%0.13337%0.373CS..EExtended strand (participates in β ladder)trans-89.9110.8161.8-176.70000106.9P119 L120 Y153 Q157P119-V155 CarbonylContact C-O 3.57Å; P119-V155 VanDerWaalsContact CA-O 3.3Å; P119-V155 WeakPolarHBondContact CA-O 3.35Å; L120-V155 HydrophobicContact CB-CB 4.27Å; L120-V155 PolarHBondContact N-O 3.07Å; L120-V155 PolarHBondContact O-N 2.74Å; Y153-V155 HydrophobicContact CE1-CG2 4.34Å; Y153-V155 HydrophobicContact CE2-CG2 4.18Å; V155-Q157 VanDerWaalsContact C-N 3.31Å; V155-Q157 PolarHBondContact O-N 3.18Å
156L95Very high96.3Very high140 Ų14066.2 Ų66.273%0.73335%0.349SS*.SBendtrans-67.9-27.7-170.5-66.1173.1000114.3T154T154-L156 HydrophobicContact CG2-CD2 4.02Å
157Q95.4Very high96.3Very high96 Ų9663.4 Ų63.445%0.44934%0.339SS..SBendtrans-139.292.8177.9-69.4178.9-6.900107.4V155V155-Q157 VanDerWaalsContact C-N 3.31Å; V155-Q157 PolarHBondContact O-N 3.18Å
158A96.3Very high96.3Very high3 Ų361.3 Ų61.33%0.02533%0.33CS..  trans-62.6147.2-179.100000111.6V114 E116 G117 E118 L120 V190V114-A158 HydrophobicContact CG1-CB 4.01Å; E116-A158 CarbonylContact C-O 3.56Å; E116-A158 WeakPolarHBondContact CA-O 3.47Å; G117-A158 PolarHBondContact N-O 3.3Å; E118-A158 WeakPolarHBondContact O-CB 3.3Å; E118-A158 PolarHBondContact O-N 3.39Å; L120-A158 HydrophobicContact CB-CB 4.28Å; A158-V190 HydrophobicContact CB-CG1 3.81Å; A158-V190 HydrophobicContact CB-CG2 4.02Å
159R94.5Very high96.4Very high157 Ų15754.5 Ų54.559%0.59230%0.299SS*.  trans-128.9160.5177.1-60.9178.2179.3-173.9-1.5109.4S161 D162 V190R159-S161 PolarHBondContact O-N 3.34Å; R159-D162 PolarHBondContact N-OD2 2.9Å; R159-D162 WeakPolarHBondContact O-CB 3.35Å; R159-D162 PolarHBondContact O-N 3.38Å; R159-V190 WeakPolarHBondContact O-CB 3.38Å
160A92.4Very high96.3Very high56 Ų5651.8 Ų51.846%0.46328%0.28SS..G310 helixtrans-51.3-33.9172.500000113.1D162 S163A160-D162 VanDerWaalsContact C-N 3.27Å; A160-D162 PolarHBondContact O-N 3.05Å; A160-S163 VanDerWaalsContact O-CB 3.29Å; A160-S163 WeakPolarHBondContact O-CB 3.38Å; A160-S163 PolarHBondContact O-N 3.1Å; A160-S163 VanDerWaalsContact O-N 3.17Å; A160-S163 PolarHBondContact O-OG 3.39Å
161S93.1Very high96.2Very high82 Ų8250.6 Ų50.657%0.57327%0.27SS*.G310 helixtrans-67.4-17176.558.10000115.6R159R159-S161 PolarHBondContact O-N 3.34Å
162D95.9Very high95.8Very high31 Ų3149.3 Ų49.317%0.16626%0.259CS..G310 helixtrans-871.9175.8-50.3-41.9000111.2R159 A160 Y166 V190R159-D162 PolarHBondContact N-OD2 2.9Å; R159-D162 WeakPolarHBondContact O-CB 3.35Å; R159-D162 PolarHBondContact O-N 3.38Å; A160-D162 VanDerWaalsContact C-N 3.27Å; A160-D162 PolarHBondContact O-N 3.05Å; D162-Y166 VanDerWaalsContact O-CE2 3.3Å; D162-Y166 WeakPolarHBondContact O-CE2 3.35Å; D162-Y166 PolarHBondContact O-OH 2.98Å; D162-V190 HydrophobicContact CB-CG2 4.25Å
163S96.6Very high95Very high35 Ų3554.5 Ų54.525%0.24527%0.272CS..  trans-68.9145164.8-520000109.8H139 A160 V188 V190H139-S163 PolarHBondContact NE2-O 3.3Å; A160-S163 VanDerWaalsContact O-CB 3.29Å; A160-S163 WeakPolarHBondContact O-CB 3.38Å; A160-S163 PolarHBondContact O-N 3.1Å; A160-S163 VanDerWaalsContact O-N 3.17Å; A160-S163 PolarHBondContact O-OG 3.39Å; S163-V188 CarbonylContact C-O 3.48Å; S163-V188 VanDerWaalsContact CA-O 3.31Å; S163-V188 WeakPolarHBondContact CA-O 3.09Å; S163-V190 PolarHBondContact OG-N 3.21Å
164G96.5Very high93.9Very high18 Ų1854.5 Ų54.519%0.18627%0.274CS..EExtended strand (participates in β ladder)trans155.4-168.6179.700000113.3D140 A187 V188D140-G164 WeakPolarHBondContact OD2-CA 3.31Å; G164-A187 WeakPolarHBondContact O-CA 2.99Å; G164-V188 PolarHBondContact N-O 3.4Å; G164-V188 PolarHBondContact O-N 2.89Å
165R97.8Very high92.4Very high152 Ų15258.2 Ų58.257%0.57430%0.3SS*.EExtended strand (participates in β ladder)trans-98.9111177.1-63.7-179.8-175.7-101.22.9110.2D140 V186D140-R165 PolarHBondContact N-O 3.3Å; D140-R165 WeakPolarHBondContact OD1-CB 3.32Å; D140-R165 PolarHBondContact OD1-N 3Å; R165-V186 CarbonylContact C-O 3.58Å; R165-V186 WeakPolarHBondContact CA-O 3.42Å
166Y98.2Very high90.9Very high2 Ų263.2 Ų63.21%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-91150.4176.1-72.4-87.7000112.4L107 L120 L122 Y138 H139 Y153 D162 K185 V186 V188L107-Y166 VanDerWaalsContact CD2-CB 3.47Å; L120-Y166 HydrophobicContact CD2-CE2 4.32Å; L122-Y166 HydrophobicContact CD1-CD1 3.44Å; L122-Y166 VanDerWaalsContact CD1-CD1 3.44Å; L122-Y166 HydrophobicContact CD1-CD2 4.22Å; L122-Y166 HydrophobicContact CD1-CE1 3.63Å; L122-Y166 HydrophobicContact CD1-CE2 4.35Å; L122-Y166 HydrophobicContact CD1-CG 3.75Å; Y138-Y166 VanDerWaalsContact O-CA 3.25Å; Y138-Y166 WeakPolarHBondContact O-CA 3.44Å; Y138-Y166 VanDerWaalsContact O-CD1 3.31Å; Y138-Y166 WeakPolarHBondContact O-CD1 3.2Å; H139-Y166 HydrophobicContact CB-CD1 4.05Å; H139-Y166 HydrophobicContact CB-CE1 3.69Å; H139-Y166 AromaticContact CD2-CE1 3.82Å; H139-Y166 AromaticContact CD2-CE2 3.76Å; H139-Y166 AromaticContact CD2-CZ 3.51Å; H139-Y166 AromaticContact CG-CE1 3.98Å; Y153-Y166 HydrophobicContact CE1-CE1 4.17Å; D162-Y166 VanDerWaalsContact O-CE2 3.3Å; D162-Y166 WeakPolarHBondContact O-CE2 3.35Å; D162-Y166 PolarHBondContact O-OH 2.98Å; Y166-K185 CarbonylContact O-C 3.55Å; Y166-K185 VanDerWaalsContact O-CA 3.32Å; Y166-K185 WeakPolarHBondContact O-CA 3.32Å; Y166-V186 PolarHBondContact N-O 3.36Å; Y166-V186 PolarHBondContact O-N 2.85Å; Y166-V188 HydrophobicContact CD2-CB 3.8Å; Y166-V188 HydrophobicContact CD2-CG2 3.66Å; Y166-V188 HydrophobicContact CE2-CB 3.93Å; Y166-V188 HydrophobicContact CE2-CG1 4.42Å; Y166-V188 HydrophobicContact CE2-CG2 4.21Å
167Q98.2Very high89.3Confident32 Ų3263.6 Ų63.615%0.1533%0.328CS..EExtended strand (participates in β ladder)trans-145.6156.6174.7-157.1174.29.400109Y138 S183 K185Y138-Q167 PolarHBondContact N-O 3.18Å; Y138-Q167 PolarHBondContact O-N 2.88Å; Q167-S183 VanDerWaalsContact CG-O 3.28Å; Q167-S183 WeakPolarHBondContact CG-O 3.37Å; Q167-S183 PolarHBondContact NE2-O 2.9Å; Q167-K185 HydrophobicContact CB-CG 4.13Å; Q167-K185 HydrophobicContact CG-CG 3.99Å
168C97.9Very high88.1Confident0 Ų063.9 Ų63.90%034%0.34CS..EExtended strand (participates in β ladder)trans-123156.5162.764.30000112.1C124 L135 H136 Y137 F182 S183C124-C168 HydrophobicContact CB-CB 3.52Å; C124-C168 WeakPolarHBondContact CB-SG 3.46Å; C124-C168 WeakPolarHBondContact SG-CB 3.01Å; C124-C168 CovalentContact SG-SG 2.04Å; C124-C168 PolarHBondContact SG-SG 2.88Å; L135-C168 HydrophobicContact CD1-CB 4.01Å; H136-C168 CarbonylContact O-C 3.53Å; H136-C168 WeakPolarHBondContact O-CA 3.38Å; H136-C168 WeakPolarHBondContact O-CB 3.37Å; Y137-C168 HydrophobicContact CD1-CB 4.2Å; Y137-C168 HydrophobicContact CE1-CB 4.33Å; C168-F182 WeakPolarHBondContact O-CA 3.35Å; C168-S183 PolarHBondContact N-OG 2.83Å; C168-S183 PolarHBondContact O-N 3.38Å
169S96.9Very high87.3Confident3 Ų365.9 Ų65.92%0.02136%0.357CS..EExtended strand (participates in β ladder)trans-137159.5169.981.10000111.4L135 H136 Y138 M181 F182L135-S169 WeakPolarHBondContact CA-O 3.22Å; H136-S169 PolarHBondContact N-O 3.37Å; H136-S169 PolarHBondContact O-N 2.97Å; Y138-S169 VanDerWaalsContact CE2-OG 3.3Å; Y138-S169 WeakPolarHBondContact CE2-OG 3.3Å; Y138-S169 PolarHBondContact OH-OG 2.81Å; S169-M181 CarbonylContact C-O 3.54Å; S169-M181 WeakPolarHBondContact CA-O 3.49Å; S169-M181 VanDerWaalsContact CB-O 3.25Å; S169-M181 WeakPolarHBondContact CB-O 3.18Å; S169-F182 VanDerWaalsContact CB-CD1 3.49Å; S169-F182 VanDerWaalsContact CB-CE1 3.47Å
170G95.3Very high86.9Confident1 Ų162.1 Ų62.11%0.0135%0.353CS..EExtended strand (participates in β ladder)trans168.7173.4174.500000112.7M181G170-M181 PolarHBondContact N-O 3.41Å; G170-M181 PolarHBondContact O-N 3.36Å
171T92.9Very high86.9Confident28 Ų2860.9 Ų60.917%0.17234%0.338CS..EExtended strand (participates in β ladder)trans-104.9130.6-178.7-520000109.7Y133 S178Y133-T171 WeakPolarHBondContact CB-O 3.45Å; Y133-T171 PolarHBondContact N-O 3.48Å; Y133-T171 PolarHBondContact O-N 2.86Å; T171-S178 VanDerWaalsContact CG2-O 3.27Å; T171-S178 WeakPolarHBondContact CG2-O 3.45Å
172M89.1Confident87Confident4 Ų461.8 Ų61.82%0.0233%0.332CS..EExtended strand (participates in β ladder)trans-102.8156.9166.9-58.8-170.5-61.700109.4W104 L105 G126 W127 K130 V132 I174 M181W104-M172 HydrophobicContact CB-CE 3.85Å; W104-M172 HydrophobicContact CD2-CE 4.49Å; W104-M172 HydrophobicContact CE3-CE 3.88Å; W104-M172 VanDerWaalsContact O-CE 3.28Å; W104-M172 WeakPolarHBondContact O-CE 3.43Å; L105-M172 HydrophobicContact CD2-CE 4.27Å; L105-M172 HydrophobicContact CD2-CG 4.06Å; L105-M172 HydrophobicContact CD2-SD 3.84Å; G126-M172 WeakPolarHBondContact CA-SD 3.35Å; W127-M172 HydrophobicContact CB-CE 4.44Å; K130-M172 HydrophobicContact CB-SD 4Å; V132-M172 HydrophobicContact CG2-CG 4.18Å; V132-M172 HydrophobicContact CG2-SD 4.36Å; M172-I174 HydrophobicContact CB-CD1 4.26Å; M172-I174 HydrophobicContact CB-CG1 4.07Å; M172-I174 HydrophobicContact CE-CD1 3.93Å; M172-I174 HydrophobicContact CE-CG1 4.46Å; M172-I174 PolarHBondContact O-N 2.9Å; M172-M181 HydrophobicContact CB-CE 3.79Å; M172-M181 HydrophobicContact CE-CE 4.09Å; M172-M181 HydrophobicContact CE-SD 4.13Å; M172-M181 HydrophobicContact CG-CE 3.84Å
173R81.8Confident87.1Confident190 Ų19060.5 Ų60.572%0.71733%0.325SS*.  trans-77.888.5172.6-69.2175.4-178.6176.9-1.4109.3Y133Y133-R173 HydrophobicContact CD2-CG 4.26Å; Y133-R173 HydrophobicContact CE2-CG 3.76Å; Y133-R173 VanDerWaalsContact OH-CZ 3.31Å; Y133-R173 PolarHBondContact OH-NH1 3.17Å
174I73.5Confident87.1Confident35 Ų3561.4 Ų61.418%0.17934%0.335CS..  trans-111.9142.8174.9-54165.4000107.6W104 M172 V176 M181W104-I174 HydrophobicContact CD2-CD1 3.85Å; W104-I174 HydrophobicContact CE3-CD1 3.52Å; W104-I174 HydrophobicContact CE3-CG1 4.43Å; W104-I174 HydrophobicContact CH2-CD1 4.17Å; W104-I174 HydrophobicContact CH2-CG2 4.13Å; W104-I174 HydrophobicContact CZ2-CD1 4.46Å; W104-I174 HydrophobicContact CZ3-CD1 3.68Å; W104-I174 HydrophobicContact CZ3-CG1 4.23Å; W104-I174 HydrophobicContact CZ3-CG2 4.33Å; M172-I174 HydrophobicContact CB-CD1 4.26Å; M172-I174 HydrophobicContact CB-CG1 4.07Å; M172-I174 HydrophobicContact CE-CD1 3.93Å; M172-I174 HydrophobicContact CE-CG1 4.46Å; M172-I174 PolarHBondContact O-N 2.9Å; I174-V176 PolarHBondContact O-N 3.07Å; I174-M181 HydrophobicContact CD1-CE 3.88Å; I174-M181 HydrophobicContact CD1-SD 3.52Å; I174-M181 VanDerWaalsContact CD1-SD 3.52Å
175P66.4Low87.1Confident136 Ų13666.2 Ų66.288%0.88335%0.351SS*.SBendtrans-65.3-16.7-177.9-24.235.1000115.9
176V65.4Low87Confident127 Ų12760.2 Ų60.277%0.7733%0.331SS*.SBendtrans-98.9-33.8-163.5-175.70000112.9I174I174-V176 PolarHBondContact O-N 3.07Å
177E60.3Low86.9Confident148 Ų14863.2 Ų63.269%0.69236%0.356SS*.  trans-161151.2178.3-128.8173170.900112.7
178S70.2Confident86.8Confident101 Ų10162.3 Ų62.371%0.70635%0.353SS*.  trans-104.912.118063.90000114T171T171-S178 VanDerWaalsContact CG2-O 3.27Å; T171-S178 WeakPolarHBondContact CG2-O 3.45Å
179A81.1Confident86.7Confident45 Ų4566.5 Ų66.537%0.37238%0.379SS..PPolyproline II helixtrans-62.4150178.300000112.2M181A179-M181 PolarHBondContact O-N 3.48Å
180P84.5Confident86.7Confident78 Ų7866.7 Ų66.751%0.50638%0.38SS..PPolyproline II helixtrans-69.7118.517029.2-32.5000109.6
181M92.8Very high86.7Confident30 Ų3070 Ų7015%0.14840%0.395CS..EExtended strand (participates in β ladder)trans-83.2157.2172.4-66.6156.4-69.500109.6W104 L105 S169 G170 M172 I174 A179W104-M181 HydrophobicContact CB-CB 4.27Å; W104-M181 HydrophobicContact CB-CG 4.09Å; W104-M181 HydrophobicContact CB-SD 3.31Å; W104-M181 WeakPolarHBondContact CB-SD 3.3Å; W104-M181 HydrophobicContact CD2-SD 4.08Å; W104-M181 HydrophobicContact CG-CG 4.3Å; W104-M181 HydrophobicContact CG-SD 3.47Å; L105-M181 HydrophobicContact CD1-CB 4.05Å; L105-M181 VanDerWaalsContact CD1-O 3.32Å; L105-M181 WeakPolarHBondContact CD1-O 2.98Å; L105-M181 HydrophobicContact CG-CB 4.03Å; S169-M181 CarbonylContact C-O 3.54Å; S169-M181 WeakPolarHBondContact CA-O 3.49Å; S169-M181 VanDerWaalsContact CB-O 3.25Å; S169-M181 WeakPolarHBondContact CB-O 3.18Å; G170-M181 PolarHBondContact N-O 3.41Å; G170-M181 PolarHBondContact O-N 3.36Å; M172-M181 HydrophobicContact CB-CE 3.79Å; M172-M181 HydrophobicContact CE-CE 4.09Å; M172-M181 HydrophobicContact CE-SD 4.13Å; M172-M181 HydrophobicContact CG-CE 3.84Å; I174-M181 HydrophobicContact CD1-CE 3.88Å; I174-M181 HydrophobicContact CD1-SD 3.52Å; I174-M181 VanDerWaalsContact CD1-SD 3.52Å; A179-M181 PolarHBondContact O-N 3.48Å
182F95.5Very high86.8Confident101 Ų10172.4 Ų72.444%0.44340%0.404SS..EExtended strand (participates in β ladder)trans-124144.8178.7-71.4-101.8000109.9Y138 C168 S169Y138-F182 HydrophobicContact CE2-CE1 4.27Å; C168-F182 WeakPolarHBondContact O-CA 3.35Å; S169-F182 VanDerWaalsContact CB-CD1 3.49Å; S169-F182 VanDerWaalsContact CB-CE1 3.47Å
183S97.4Very high87.1Confident4 Ų472.7 Ų72.73%0.02841%0.406CS..PPolyproline II helixtrans-76.1164.116773.90000111.3L105 Q167 C168L105-S183 WeakPolarHBondContact O-CA 3.29Å; L105-S183 WeakPolarHBondContact O-CB 3.46Å; Q167-S183 VanDerWaalsContact CG-O 3.28Å; Q167-S183 WeakPolarHBondContact CG-O 3.37Å; Q167-S183 PolarHBondContact NE2-O 2.9Å; C168-S183 PolarHBondContact N-OG 2.83Å; C168-S183 PolarHBondContact O-N 3.38Å
184A96.8Very high87.8Confident55 Ų5563.7 Ų63.746%0.45537%0.372SS..PPolyproline II helixtrans-54.4153.9156.500000111.5
185K96.9Very high88.8Confident119 Ų11969.6 Ų69.652%0.51739%0.392SS..PPolyproline II helixtrans-83.1128.6174-67.1-173177.3-179.20110.2Y166 Q167Y166-K185 CarbonylContact O-C 3.55Å; Y166-K185 VanDerWaalsContact O-CA 3.32Å; Y166-K185 WeakPolarHBondContact O-CA 3.32Å; Q167-K185 HydrophobicContact CB-CG 4.13Å; Q167-K185 HydrophobicContact CG-CG 3.99Å
186V96.8Very high90.2Very high25 Ų2565.8 Ų65.815%0.15237%0.372CS..EExtended strand (participates in β ladder)trans-113.7129.2-179.9-172.70000109.5L107 V109 R165 Y166L107-V186 HydrophobicContact CB-CG2 4.13Å; L107-V186 HydrophobicContact CD2-CB 4.27Å; L107-V186 HydrophobicContact CD2-CG2 4.31Å; L107-V186 HydrophobicContact CG-CG2 4.48Å; V109-V186 HydrophobicContact CB-CG1 4.45Å; V109-V186 HydrophobicContact CG1-CB 4.17Å; V109-V186 HydrophobicContact CG1-CG1 3.81Å; V109-V186 HydrophobicContact CG2-CG1 3.7Å; R165-V186 CarbonylContact C-O 3.58Å; R165-V186 WeakPolarHBondContact CA-O 3.42Å; Y166-V186 PolarHBondContact N-O 3.36Å; Y166-V186 PolarHBondContact O-N 2.85Å
187A95.6Very high91.7Very high66 Ų6659.8 Ų59.855%0.54534%0.335SS..EExtended strand (participates in β ladder)trans-79.1132.8174.500000110.3G164G164-A187 WeakPolarHBondContact O-CA 2.99Å
188V95.9Very high93.5Very high13 Ų1356.1 Ų56.18%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-124.2135.8174.7178.90000108.1V109 L120 L122 S163 G164 Y166V109-V188 HydrophobicContact CB-CG2 4.2Å; V109-V188 HydrophobicContact CG1-CG2 3.92Å; V109-V188 HydrophobicContact CG2-CG2 4.5Å; L120-V188 HydrophobicContact CD1-CG1 3.83Å; L120-V188 HydrophobicContact CD2-CG1 3.91Å; L122-V188 HydrophobicContact CD2-CG2 4.24Å; S163-V188 CarbonylContact C-O 3.48Å; S163-V188 VanDerWaalsContact CA-O 3.31Å; S163-V188 WeakPolarHBondContact CA-O 3.09Å; G164-V188 PolarHBondContact N-O 3.4Å; G164-V188 PolarHBondContact O-N 2.89Å; Y166-V188 HydrophobicContact CD2-CB 3.8Å; Y166-V188 HydrophobicContact CD2-CG2 3.66Å; Y166-V188 HydrophobicContact CE2-CB 3.93Å; Y166-V188 HydrophobicContact CE2-CG1 4.42Å; Y166-V188 HydrophobicContact CE2-CG2 4.21Å
189T95.1Very high94.6Very high88 Ų8851.8 Ų51.854%0.5429%0.292SS..  trans-124.5122.3178.4-53.60000108.9
190V96.8Very high95.2Very high7 Ų755.9 Ų55.94%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-90.3122.2171.8-177.80000108.3V114 E116 A158 R159 D162 S163V114-V190 CarbonylContact O-C 3.17Å; V114-V190 WeakPolarHBondContact O-CA 3.39Å; E116-V190 HydrophobicContact CG-CG1 4.19Å; A158-V190 HydrophobicContact CB-CG1 3.81Å; A158-V190 HydrophobicContact CB-CG2 4.02Å; R159-V190 WeakPolarHBondContact O-CB 3.38Å; D162-V190 HydrophobicContact CB-CG2 4.25Å; S163-V190 PolarHBondContact OG-N 3.21Å
191Q95.8Very high95.4Very high69 Ų6955 Ų5532%0.32229%0.291SS..EExtended strand (participates in β ladder)trans-80.5138.1-177.6-62.5-65.2-1.300111.4P113 V114 F115 E116 L193P113-Q191 HydrophobicContact CB-CG 4.03Å; V114-Q191 PolarHBondContact O-N 2.69Å; F115-Q191 WeakPolarHBondContact CA-O 3.28Å; F115-Q191 HydrophobicContact CD1-CB 3.54Å; F115-Q191 HydrophobicContact CE1-CB 3.52Å; F115-Q191 HydrophobicContact CE1-CG 4.27Å; F115-Q191 HydrophobicContact CG-CB 4.13Å; F115-Q191 HydrophobicContact CZ-CB 4.13Å; F115-Q191 HydrophobicContact CZ-CG 4.42Å; E116-Q191 PolarHBondContact N-O 2.68Å; Q191-L193 PolarHBondContact O-N 2.66Å
192E95.3Very high95Very high79 Ų7957 Ų5737%0.36930%0.301SS..PPolyproline II helixtrans-63.4128.3175.3-167177.8-146.800110.4E116 R195 H224 K278E116-E192 WeakPolarHBondContact OE2-CG 3.41Å; E192-R195 WeakPolarHBondContact OE1-CA 3.49Å; E192-H224 WeakPolarHBondContact O-CB 3.34Å; E192-H224 PolarHBondContact O-CD2 2.84Å; E192-H224 VanDerWaalsContact O-CD2 3.23Å; E192-K278 IonicContact OE1-NZ 2.73Å; E192-K278 PolarHBondContact OE1-NZ 2.86Å
193L95.8Very high93.6Very high10 Ų1054.8 Ų54.85%0.05231%0.306CS..SBendtrans-78.7-46.5-179-178.764.3000111.9F115 E116 Q191 L223 H224 K227 T230 T271 V276F115-L193 HydrophobicContact CB-CD1 4.37Å; F115-L193 HydrophobicContact CD1-CD1 4.47Å; E116-L193 HydrophobicContact CB-CB 4.11Å; E116-L193 PolarHBondContact OE2-N 2.91Å; Q191-L193 PolarHBondContact O-N 2.66Å; L193-L223 HydrophobicContact CG-CD2 4.37Å; L193-H224 PolarHBondContact O-N 2.75Å; L193-K227 HydrophobicContact CD1-CB 3.77Å; L193-K227 HydrophobicContact CD1-CD 4.34Å; L193-K227 HydrophobicContact CD1-CG 3.84Å; L193-T230 HydrophobicContact CD2-CG2 4.44Å; L193-T271 HydrophobicContact CD2-CG2 3.48Å; L193-T271 VanDerWaalsContact CD2-CG2 3.48Å; L193-V276 HydrophobicContact CD2-CB 4.25Å; L193-V276 HydrophobicContact CD2-CG2 3.82Å
194F95.6Very high91.9Very high2 Ų259.3 Ų59.31%0.00934%0.335CS..BIsolated β-bridgetrans-148.5147.4172.258.4-87.4000110T221 H222 L223 L232 A269 T271 V276 K278F194-T221 HydrophobicContact CD2-CG2 4.44Å; F194-H222 VanDerWaalsContact CA-O 3.26Å; F194-H222 WeakPolarHBondContact CA-O 3.47Å; F194-L223 HydrophobicContact CB-CD2 4.02Å; F194-L223 HydrophobicContact CB-CG 4.32Å; F194-L223 HydrophobicContact CD1-CD2 4.46Å; F194-L232 HydrophobicContact CB-CD1 4.32Å; F194-L232 HydrophobicContact CD1-CD1 4.23Å; F194-L232 HydrophobicContact CD1-CD2 3.76Å; F194-L232 HydrophobicContact CD2-CD1 4.43Å; F194-L232 HydrophobicContact CE1-CD2 3.72Å; F194-L232 HydrophobicContact CG-CD1 4.1Å; F194-L232 HydrophobicContact CG-CD2 4.44Å; F194-L232 HydrophobicContact CZ-CD2 4.36Å; F194-A269 HydrophobicContact CE2-CB 3.84Å; F194-A269 HydrophobicContact CZ-CB 4.46Å; F194-A269 WeakPolarHBondContact CZ-O 3.45Å; F194-T271 HydrophobicContact CE1-CG2 4.42Å; F194-V276 HydrophobicContact CD1-CG1 4.38Å; F194-V276 HydrophobicContact CE1-CB 3.91Å; F194-V276 HydrophobicContact CE1-CG1 3.58Å; F194-V276 HydrophobicContact CZ-CB 4.4Å; F194-V276 HydrophobicContact CZ-CG1 3.87Å; F194-K278 HydrophobicContact CD2-CD 4.29Å; F194-K278 HydrophobicContact CE2-CB 3.91Å; F194-K278 HydrophobicContact CE2-CD 4.03Å; F194-K278 HydrophobicContact CE2-CG 3.99Å; F194-K278 HydrophobicContact CZ-CB 4.48Å; F194-K278 HydrophobicContact CZ-CG 4.28Å; F194-K278 WeakPolarHBondContact O-CD 3.5Å; F194-K278 PolarHBondContact O-NZ 3.39Å
195R95Very high89.8Confident158 Ų15861.2 Ų61.260%0.59634%0.343SS*.PPolyproline II helixtrans-62.2150.3177.9-68.3-177.8-179.3169.91.6111.5E192 T221 H222E192-R195 WeakPolarHBondContact OE1-CA 3.49Å; R195-T221 PolarHBondContact O-OG1 3.07Å; R195-H222 PolarHBondContact N-O 3.04Å
196A95.8Very high87.5Confident56 Ų5665.5 Ų65.546%0.46337%0.365SS..PPolyproline II helixtrans-50.4128.2169.200000110.1
197P97.4Very high85.2Confident1 Ų166.7 Ų66.71%0.00638%0.382CS..PPolyproline II helixtrans-69.2154.6-172.227.6-34.5000111.6D220 A269 S280P197-D220 CarbonylContact C-O 3.53Å; P197-D220 VanDerWaalsContact CA-O 3.23Å; P197-D220 WeakPolarHBondContact CA-O 3.48Å; P197-A269 HydrophobicContact CB-CB 4.14Å; P197-A269 HydrophobicContact CG-CB 3.94Å; P197-S280 WeakPolarHBondContact O-CA 3.33Å; P197-S280 WeakPolarHBondContact O-CB 3.28Å
198V96.8Very high82.6Confident71 Ų7176.3 Ų76.343%0.4340%0.404SS..EExtended strand (participates in β ladder)trans-120.9124.7174.4-179.10000108.3R200 D220V198-R200 HydrophobicContact CG1-CG 4.32Å; V198-D220 PolarHBondContact N-O 3.11Å; V198-D220 PolarHBondContact O-N 3.22Å
199L94.6Very high80.4Confident11 Ų1179.3 Ų79.36%0.05844%0.438CS..EExtended strand (participates in β ladder)trans-79.9127.2175-17659.2000109.3L217 F236 C267 L283L199-L217 HydrophobicContact CD1-CB 3.94Å; L199-L217 HydrophobicContact CD1-CD1 4.37Å; L199-L217 HydrophobicContact CD1-CD2 4.26Å; L199-L217 HydrophobicContact CD1-CG 4.44Å; L199-L217 HydrophobicContact CD2-CD1 4.3Å; L199-L217 HydrophobicContact CG-CD2 4.34Å; L199-F236 HydrophobicContact CD1-CD1 4.16Å; L199-F236 HydrophobicContact CD1-CE1 3.52Å; L199-C267 HydrophobicContact CD1-CB 4.27Å; L199-L283 HydrophobicContact CB-CB 4.38Å; L199-L283 HydrophobicContact CB-CD2 4.44Å; L199-L283 HydrophobicContact CD2-CB 3.81Å; L199-L283 HydrophobicContact CD2-CD2 4.08Å; L199-L283 HydrophobicContact CG-CB 4.15Å; L199-L283 HydrophobicContact CG-CD2 3.77Å
200R92.4Very high78Confident130 Ų13078.6 Ų78.649%0.49144%0.441SS..EExtended strand (participates in β ladder)trans-125.7148.3179.7-65-170.6175.7153.5-12.5111.3V198 L217 R218 D220V198-R200 HydrophobicContact CG1-CG 4.32Å; R200-L217 WeakPolarHBondContact O-CA 3.21Å; R200-R218 PolarHBondContact N-O 3.03Å; R200-R218 PolarHBondContact O-N 2.85Å; R200-D220 WeakPolarHBondContact CD-OD2 3.35Å; R200-D220 IonicContact CZ-OD2 2.68Å; R200-D220 IonicContact NE-OD2 3.97Å; R200-D220 IonicContact NH1-OD2 2.6Å; R200-D220 PolarHBondContact NH1-OD2 3.16Å
201V88.5Confident75.4Confident59 Ų5982.6 Ų82.636%0.35848%0.475SS..EExtended strand (participates in β ladder)trans-81.4128.5163.8-177.50000108.3V215 L217 L283 L285V201-V215 HydrophobicContact CG1-CG1 3.62Å; V201-V215 HydrophobicContact CG2-CG1 4.43Å; V201-L217 HydrophobicContact CG2-CD2 4.09Å; V201-L283 HydrophobicContact CG2-CD2 3.95Å; V201-L285 HydrophobicContact CG2-CD2 4.01Å
202M85.4Confident73.3Confident73 Ų7386.3 Ų86.336%0.3650%0.496SS..EExtended strand (participates in β ladder)trans-91.4142.7166.9-59.1-60.4-72.200108.7V216 R218M202-V216 HydrophobicContact CB-CB 4.16Å; M202-V216 HydrophobicContact CB-CG1 4.21Å; M202-V216 HydrophobicContact CG-CG1 4.33Å; M202-V216 PolarHBondContact N-O 2.6Å; M202-R218 HydrophobicContact CG-CB 3.62Å; M202-R218 HydrophobicContact SD-CB 3.85Å; M202-R218 VanDerWaalsContact SD-CD 3.56Å; M202-R218 HydrophobicContact SD-CG 4.36Å
203G66.3Low71.5Confident54 Ų5485.6 Ų85.656%0.55751%0.51SS*.PPolyproline II helixtrans-61.7159.9171.200000111.7
204P60.4Low70.3Confident99 Ų9986.1 Ų86.164%0.64352%0.518SS*.PPolyproline II helixtrans-57.5142.9173.726.4-34.3000109.8E206P204-E206 PolarHBondContact O-N 2.91Å; P204-E206 VanDerWaalsContact O-N 3.17Å
205P54.2Low69.6Low95 Ų9588.6 Ų88.662%0.61753%0.533SS*.PPolyproline II helixtrans-62.6121.1-179.525.2-33.3000110.1G207P205-G207 PolarHBondContact O-N 2.97Å
206E48.1Very low69.3Low210 Ų21082.6 Ų82.698%0.98151%0.514SS*.  trans-70.576.8175.2-69.4-170.9141.400110.7P204P204-E206 PolarHBondContact O-N 2.91Å; P204-E206 VanDerWaalsContact O-N 3.17Å
207G47.7Very low69.1Low49 Ų4979.9 Ų79.951%0.50549%0.492SS..SBendtrans-147.5127.4177.800000110.7P205 G209 A210P205-G207 PolarHBondContact O-N 2.97Å; G207-G209 PolarHBondContact O-N 2.81Å; G207-A210 PolarHBondContact O-N 2.96Å
208R42.7Very low69Low268 Ų26884 Ų84100%1.01151%0.507SS*.THydrogen-bonded Turntrans-64.7101.1173.7-72.6-175.4177.6-165-0.8109.1
209G47.9Very low68.9Low76 Ų7680.8 Ų80.878%0.78449%0.487SS*.THydrogen-bonded Turntrans140.413.1-173.300000115.2G207 A211G207-G209 PolarHBondContact O-N 2.81Å; G209-A211 PolarHBondContact O-N 2.04Å
210A45.4Very low69Low73 Ų7381.6 Ų81.660%0.60349%0.492SS*.  trans-64.2104.6176.200000111.9G207G207-A210 PolarHBondContact O-N 2.96Å
211A43Very low69.1Low91 Ų9176.7 Ų76.775%0.75248%0.476SS*.  trans-76.5122.2166.800000109.9G209G209-A211 PolarHBondContact O-N 2.04Å
212L52Low69.4Low147 Ų14779.5 Ų79.577%0.7749%0.485SS*.SBendtrans53.285.2160.9-61.8168.6000117.1G214L212-G214 PolarHBondContact O-N 2.89Å
213G57.4Low69.9Low64 Ų6478.2 Ų78.266%0.6648%0.48SS*.  57-9.5126.600000122.8E256G213-E256 WeakPolarHBondContact CA-OE1 3.24Å
214G70.1Confident71.2Confident22 Ų2277.9 Ų77.923%0.22746%0.463CS..PPolyproline II helixtrans-76.1140.5-171.600000114.2L212 V254L212-G214 PolarHBondContact O-N 2.89Å; G214-V254 WeakPolarHBondContact CA-O 3.36Å
215V81.1Confident72.7Confident54 Ų5476.9 Ų76.933%0.32746%0.457SS..EExtended strand (participates in β ladder)trans-80.3119.5173.2-179.20000109.2V201 V254 L285V201-V215 HydrophobicContact CG1-CG1 3.62Å; V201-V215 HydrophobicContact CG2-CG1 4.43Å; V215-V254 HydrophobicContact CB-CB 4.35Å; V215-V254 PolarHBondContact N-O 2.64Å; V215-V254 WeakPolarHBondContact O-CB 3.5Å; V215-V254 PolarHBondContact O-N 3.16Å; V215-L285 HydrophobicContact CG1-CD2 4.07Å
216V87.9Confident74.4Confident31 Ų3178.2 Ų78.219%0.18846%0.455CS..EExtended strand (participates in β ladder)trans-85.9121.1176.9179.40000109.9M202 T253M202-V216 HydrophobicContact CB-CB 4.16Å; M202-V216 HydrophobicContact CB-CG1 4.21Å; M202-V216 HydrophobicContact CG-CG1 4.33Å; M202-V216 PolarHBondContact N-O 2.6Å; V216-T253 HydrophobicContact CG2-CG2 4.31Å
217L90.9Very high76.4Confident0 Ų070.9 Ų70.90%042%0.42CS..EExtended strand (participates in β ladder)trans-99.3133.2174.4-73.2-178.5000110.9L199 R200 V201 F236 E251 Y252 V254 Y265 L283 L285L199-L217 HydrophobicContact CD1-CB 3.94Å; L199-L217 HydrophobicContact CD1-CD1 4.37Å; L199-L217 HydrophobicContact CD1-CD2 4.26Å; L199-L217 HydrophobicContact CD1-CG 4.44Å; L199-L217 HydrophobicContact CD2-CD1 4.3Å; L199-L217 HydrophobicContact CG-CD2 4.34Å; R200-L217 WeakPolarHBondContact O-CA 3.21Å; V201-L217 HydrophobicContact CG2-CD2 4.09Å; L217-F236 HydrophobicContact CB-CE1 4.01Å; L217-E251 CarbonylContact O-C 3.59Å; L217-E251 VanDerWaalsContact O-CA 3.26Å; L217-E251 WeakPolarHBondContact O-CA 3.45Å; L217-Y252 HydrophobicContact CD1-CD1 4.47Å; L217-Y252 PolarHBondContact N-O 3.39Å; L217-Y252 PolarHBondContact O-N 2.83Å; L217-V254 HydrophobicContact CD1-CG2 3.43Å; L217-V254 VanDerWaalsContact CD1-CG2 3.43Å; L217-V254 HydrophobicContact CG-CG2 3.69Å; L217-Y265 HydrophobicContact CD1-CD1 3.86Å; L217-Y265 HydrophobicContact CD1-CD2 4.43Å; L217-Y265 HydrophobicContact CD1-CG 3.8Å; L217-L283 HydrophobicContact CD2-CD2 3.71Å; L217-L285 HydrophobicContact CD2-CD2 4.07Å
218R95.1Very high78.4Confident88 Ų8877 Ų7733%0.33243%0.428SS..EExtended strand (participates in β ladder)trans-120.2131.3177.8-177173.9170.5126.1-8.9111.2R200 M202 D220 E251R200-R218 PolarHBondContact N-O 3.03Å; R200-R218 PolarHBondContact O-N 2.85Å; M202-R218 HydrophobicContact CG-CB 3.62Å; M202-R218 HydrophobicContact SD-CB 3.85Å; M202-R218 VanDerWaalsContact SD-CD 3.56Å; M202-R218 HydrophobicContact SD-CG 4.36Å; R218-D220 IonicContact CZ-OD1 3.9Å; R218-D220 IonicContact NE-OD1 3.22Å; R218-D220 PolarHBondContact NE-OD1 2.97Å; R218-D220 IonicContact NH2-OD1 2.66Å; R218-E251 HydrophobicContact CB-CG 4Å; R218-E251 WeakPolarHBondContact CD-OE1 3.35Å; R218-E251 HydrophobicContact CG-CG 3.87Å; R218-E251 IonicContact CZ-OE1 2.69Å; R218-E251 IonicContact NE-OE1 3.26Å; R218-E251 IonicContact NH1-OE1 3.7Å; R218-E251 PolarHBondContact NH1-OE1 2.79Å
219C96.4Very high80.7Confident2 Ų271.9 Ų71.91%0.01442%0.42CS..EExtended strand (participates in β ladder)trans-96.188.6178-167.20000109.8F234 F236 A250 C267C219-F234 HydrophobicContact CB-CD1 3.84Å; C219-F234 HydrophobicContact CB-CE1 4.38Å; C219-F236 HydrophobicContact CB-CE1 4.27Å; C219-F236 HydrophobicContact CB-CE2 4.47Å; C219-F236 HydrophobicContact CB-CZ 3.81Å; C219-A250 PolarHBondContact N-O 2.88Å; C219-C267 HydrophobicContact CB-CB 3.62Å; C219-C267 WeakPolarHBondContact CB-SG 3.37Å; C219-C267 WeakPolarHBondContact SG-CB 3.39Å; C219-C267 CovalentContact SG-SG 2.03Å; C219-C267 PolarHBondContact SG-SG 2.04Å
220D95.7Very high82.8Confident28 Ų2869.9 Ų69.915%0.1539%0.393CS..EExtended strand (participates in β ladder)trans-80.3132.3-177.5-84.2-29000111.8P197 V198 R200 R218P197-D220 CarbonylContact C-O 3.53Å; P197-D220 VanDerWaalsContact CA-O 3.23Å; P197-D220 WeakPolarHBondContact CA-O 3.48Å; V198-D220 PolarHBondContact N-O 3.11Å; V198-D220 PolarHBondContact O-N 3.22Å; R200-D220 WeakPolarHBondContact CD-OD2 3.35Å; R200-D220 IonicContact CZ-OD2 2.68Å; R200-D220 IonicContact NE-OD2 3.97Å; R200-D220 IonicContact NH1-OD2 2.6Å; R200-D220 PolarHBondContact NH1-OD2 3.16Å; R218-D220 IonicContact CZ-OD1 3.9Å; R218-D220 IonicContact NE-OD1 3.22Å; R218-D220 PolarHBondContact NE-OD1 2.97Å; R218-D220 IonicContact NH2-OD1 2.66Å
221T95.6Very high85.1Confident27 Ų2770 Ų7017%0.16639%0.387CS..  trans-147.4162.5168.5-176.10000110.2F194 R195 L232 F234 A269F194-T221 HydrophobicContact CD2-CG2 4.44Å; R195-T221 PolarHBondContact O-OG1 3.07Å; T221-L232 HydrophobicContact CG2-CD1 3.77Å; T221-F234 HydrophobicContact CG2-CE1 3.94Å; T221-F234 HydrophobicContact CG2-CZ 4.23Å; T221-A269 HydrophobicContact CG2-CB 4.49Å
222H94.3Very high87.7Confident118 Ų11866.5 Ų66.555%0.54636%0.356SS..  trans-126.3120.7178-60.6-71.6000109.8F194 R195F194-H222 VanDerWaalsContact CA-O 3.26Å; F194-H222 WeakPolarHBondContact CA-O 3.47Å; R195-H222 PolarHBondContact N-O 3.04Å
223L95Very high89.8Confident46 Ų4660.7 Ų60.724%0.24133%0.325CS..BIsolated β-bridgetrans-69.5152170.3-79.8158.8000111.3L193 F194 R228 T230 L232L193-L223 HydrophobicContact CG-CD2 4.37Å; F194-L223 HydrophobicContact CB-CD2 4.02Å; F194-L223 HydrophobicContact CB-CG 4.32Å; F194-L223 HydrophobicContact CD1-CD2 4.46Å; L223-R228 WeakPolarHBondContact CD1-O 3.49Å; L223-T230 WeakPolarHBondContact CD1-O 3.33Å; L223-L232 HydrophobicContact CD1-CD1 4.21Å; L223-L232 HydrophobicContact CD1-CG 4.35Å; L223-L232 HydrophobicContact CD2-CD1 4.1Å; L223-L232 HydrophobicContact CD2-CD2 4.37Å; L223-L232 HydrophobicContact CD2-CG 4.3Å; L223-L232 HydrophobicContact CG-CD1 3.98Å; L223-L232 HydrophobicContact CG-CG 4.48Å
224H94.3Very high91.7Very high47 Ų4758.6 Ų58.622%0.21830%0.298CS..  trans-61140.4172.3-158.3-84.9000110.8F115 E192 L193 Q226 K227 R228F115-H224 HydrophobicContact CE1-CB 3.96Å; F115-H224 AromaticContact CE1-CD2 3.99Å; F115-H224 AromaticContact CE1-CE1 3.92Å; F115-H224 AromaticContact CE1-CG 3.58Å; F115-H224 AromaticContact CE1-ND1 3.52Å; F115-H224 AromaticContact CZ-ND1 3.92Å; E192-H224 WeakPolarHBondContact O-CB 3.34Å; E192-H224 PolarHBondContact O-CD2 2.84Å; E192-H224 VanDerWaalsContact O-CD2 3.23Å; L193-H224 PolarHBondContact O-N 2.75Å; H224-Q226 VanDerWaalsContact C-N 3.25Å; H224-Q226 PolarHBondContact CE1-OE1 3.02Å; H224-Q226 PolarHBondContact ND1-OE1 2.94Å; H224-Q226 PolarHBondContact O-N 2.83Å; H224-Q226 VanDerWaalsContact O-N 3.11Å; H224-K227 HydrophobicContact CB-CB 4.44Å; H224-K227 CarbonylContact O-C 3.58Å; H224-K227 PolarHBondContact O-N 2.82Å; H224-R228 PolarHBondContact O-N 2.82Å
225P91.6Very high93Very high79 Ų7957.5 Ų57.551%0.51329%0.287SS..G310 helixtrans-55.9-34.4-173.9-2936000115.3K227 R228P225-K227 VanDerWaalsContact C-N 3.27Å; P225-K227 PolarHBondContact O-N 2.83Å; P225-R228 WeakPolarHBondContact O-CD 3.3Å; P225-R228 WeakPolarHBondContact O-CG 3.46Å
226Q89.5Confident93.7Very high123 Ų12355 Ų5558%0.57527%0.271SS*.G310 helixtrans-76.8-2.8176.4-68.486.1-29.600114.5F115 H224F115-Q226 HydrophobicContact CZ-CB 4.18Å; H224-Q226 VanDerWaalsContact C-N 3.25Å; H224-Q226 PolarHBondContact CE1-OE1 3.02Å; H224-Q226 PolarHBondContact ND1-OE1 2.94Å; H224-Q226 PolarHBondContact O-N 2.83Å; H224-Q226 VanDerWaalsContact O-N 3.11Å
227K91.2Very high93.9Very high55 Ų5555.2 Ų55.224%0.23927%0.269CS..G310 helixtrans-134.723.9-174.2-67.6-72.3-179.8169.70112.4F115 E118 L193 H224 P225 D229 T230F115-K227 HydrophobicContact CD1-CG 3.98Å; F115-K227 HydrophobicContact CD2-CD 4.37Å; F115-K227 HydrophobicContact CD2-CG 4.23Å; F115-K227 HydrophobicContact CE1-CG 3.96Å; F115-K227 HydrophobicContact CE2-CG 4.19Å; F115-K227 HydrophobicContact CG-CG 4.12Å; F115-K227 HydrophobicContact CZ-CG 4.06Å; E118-K227 IonicContact OE1-NZ 2.79Å; E118-K227 PolarHBondContact OE1-NZ 2.96Å; E118-K227 IonicContact OE2-NZ 3.66Å; L193-K227 HydrophobicContact CD1-CB 3.77Å; L193-K227 HydrophobicContact CD1-CD 4.34Å; L193-K227 HydrophobicContact CD1-CG 3.84Å; H224-K227 HydrophobicContact CB-CB 4.44Å; H224-K227 CarbonylContact O-C 3.58Å; H224-K227 PolarHBondContact O-N 2.82Å; P225-K227 VanDerWaalsContact C-N 3.27Å; P225-K227 PolarHBondContact O-N 2.83Å; K227-D229 PolarHBondContact O-N 2.99Å; K227-T230 VanDerWaalsContact O-CB 3.29Å; K227-T230 WeakPolarHBondContact O-CB 3.38Å; K227-T230 PolarHBondContact O-N 3.44Å; K227-T230 PolarHBondContact O-OG1 2.88Å
228R89.3Confident93.9Very high179 Ų17957.4 Ų57.468%0.67528%0.279SS*.THydrogen-bonded Turntrans-54.5-33.8-176.1-76.6171.7178.5-169.42.2114.3L223 H224 P225 T230L223-R228 WeakPolarHBondContact CD1-O 3.49Å; H224-R228 PolarHBondContact O-N 2.82Å; P225-R228 WeakPolarHBondContact O-CD 3.3Å; P225-R228 WeakPolarHBondContact O-CG 3.46Å; R228-T230 PolarHBondContact O-N 3.34Å
229D90.6Very high93.5Very high159 Ų15958 Ų5885%0.8528%0.282SS*.THydrogen-bonded Turntrans-82.86.6-177.4-43.9-61.3000113.3K227 P231K227-D229 PolarHBondContact O-N 2.99Å; D229-P231 WeakPolarHBondContact O-CD 3.5Å
230T92.8Very high93.1Very high35 Ų3563.4 Ų63.422%0.21532%0.32CS..  trans-74.4118.5-179.7-52.60000110.5L193 L223 K227 R228 L232 T271L193-T230 HydrophobicContact CD2-CG2 4.44Å; L223-T230 WeakPolarHBondContact CD1-O 3.33Å; K227-T230 VanDerWaalsContact O-CB 3.29Å; K227-T230 WeakPolarHBondContact O-CB 3.38Å; K227-T230 PolarHBondContact O-N 3.44Å; K227-T230 PolarHBondContact O-OG1 2.88Å; R228-T230 PolarHBondContact O-N 3.34Å; T230-L232 PolarHBondContact O-N 2.92Å; T230-T271 HydrophobicContact CG2-CG2 4.3Å
231P94.1Very high92.8Very high74 Ų7471.1 Ų71.148%0.48135%0.346SS..  trans-75.3124.9-176.831.5-35.8000111.1D229 W248 A272D229-P231 WeakPolarHBondContact O-CD 3.5Å; P231-W248 HydrophobicContact CB-CH2 4.33Å; P231-W248 HydrophobicContact CB-CZ3 3.77Å; P231-A272 HydrophobicContact CG-CB 4.42Å; P231-A272 PolarHBondContact O-N 2.84Å
232L96.1Very high92.7Very high18 Ų1872.1 Ų72.19%0.09436%0.358CS..EExtended strand (participates in β ladder)trans-106.3142.8177.5-62.9-177000111.4F194 T221 L223 T230 F234 A270 T271F194-L232 HydrophobicContact CB-CD1 4.32Å; F194-L232 HydrophobicContact CD1-CD1 4.23Å; F194-L232 HydrophobicContact CD1-CD2 3.76Å; F194-L232 HydrophobicContact CD2-CD1 4.43Å; F194-L232 HydrophobicContact CE1-CD2 3.72Å; F194-L232 HydrophobicContact CG-CD1 4.1Å; F194-L232 HydrophobicContact CG-CD2 4.44Å; F194-L232 HydrophobicContact CZ-CD2 4.36Å; T221-L232 HydrophobicContact CG2-CD1 3.77Å; L223-L232 HydrophobicContact CD1-CD1 4.21Å; L223-L232 HydrophobicContact CD1-CG 4.35Å; L223-L232 HydrophobicContact CD2-CD1 4.1Å; L223-L232 HydrophobicContact CD2-CD2 4.37Å; L223-L232 HydrophobicContact CD2-CG 4.3Å; L223-L232 HydrophobicContact CG-CD1 3.98Å; L223-L232 HydrophobicContact CG-CG 4.48Å; T230-L232 PolarHBondContact O-N 2.92Å; L232-F234 HydrophobicContact CB-CE2 4.21Å; L232-F234 HydrophobicContact CB-CZ 4.11Å; L232-A270 CarbonylContact C-O 3.49Å; L232-A270 WeakPolarHBondContact CA-O 3.48Å; L232-T271 HydrophobicContact CD2-CG2 4.23Å
233Q97Very high92.6Very high26 Ų2668.6 Ų68.612%0.12134%0.344CS..EExtended strand (participates in β ladder)trans-112.4145.3171.4-63.9-177.7-17.400109.8F246 D247 W248 A269 A270Q233-F246 HydrophobicContact CB-CB 4.3Å; Q233-F246 HydrophobicContact CB-CD1 3.72Å; Q233-F246 HydrophobicContact CB-CG 4.49Å; Q233-D247 CarbonylContact C-O 3.58Å; Q233-D247 WeakPolarHBondContact CA-O 3Å; Q233-W248 HydrophobicContact CG-CD2 4.11Å; Q233-W248 HydrophobicContact CG-CE3 3.55Å; Q233-W248 HydrophobicContact CG-CH2 3.81Å; Q233-W248 HydrophobicContact CG-CZ2 4.32Å; Q233-W248 HydrophobicContact CG-CZ3 3.35Å; Q233-A269 WeakPolarHBondContact O-CA 3.4Å; Q233-A270 PolarHBondContact N-O 2.88Å; Q233-A270 PolarHBondContact O-N 3.01Å
234F97.4Very high92.5Very high19 Ų1968.5 Ų68.58%0.08334%0.341CS..EExtended strand (participates in β ladder)trans-121.3140.8-178-54.2-91.1000110.7C219 T221 L232 R244 F246 D247 G249 A250 E268 A269C219-F234 HydrophobicContact CB-CD1 3.84Å; C219-F234 HydrophobicContact CB-CE1 4.38Å; T221-F234 HydrophobicContact CG2-CE1 3.94Å; T221-F234 HydrophobicContact CG2-CZ 4.23Å; L232-F234 HydrophobicContact CB-CE2 4.21Å; L232-F234 HydrophobicContact CB-CZ 4.11Å; F234-R244 PolarHBondContact O-NH1 2.92Å; F234-F246 WeakPolarHBondContact O-CA 3.47Å; F234-D247 PolarHBondContact N-O 2.94Å; F234-D247 PolarHBondContact O-N 2.97Å; F234-G249 WeakPolarHBondContact CB-O 3.01Å; F234-G249 WeakPolarHBondContact CD2-O 3.46Å; F234-A250 HydrophobicContact CD2-CB 3.96Å; F234-A250 HydrophobicContact CE1-CB 4.38Å; F234-A250 HydrophobicContact CE2-CB 3.77Å; F234-A250 HydrophobicContact CG-CB 4.36Å; F234-A250 HydrophobicContact CZ-CB 3.99Å; F234-E268 CarbonylContact C-O 3.51Å; F234-E268 WeakPolarHBondContact CA-O 3.28Å; F234-A269 HydrophobicContact CD1-CB 3.82Å; F234-A269 HydrophobicContact CE1-CB 3.83Å
235A97.1Very high92.6Very high0 Ų076.5 Ų76.50%037%0.369CS..EExtended strand (participates in β ladder)trans-125.2150.7169.500000109.9Y237 R244 F246 C267 E268A235-Y237 HydrophobicContact CB-CE2 3.73Å; A235-R244 WeakPolarHBondContact CA-O 3.36Å; A235-R244 WeakPolarHBondContact CB-O 3.23Å; A235-F246 HydrophobicContact CB-CD1 4.06Å; A235-F246 HydrophobicContact CB-CD2 3.85Å; A235-F246 HydrophobicContact CB-CE1 3.98Å; A235-F246 HydrophobicContact CB-CE2 3.72Å; A235-F246 HydrophobicContact CB-CG 4Å; A235-F246 HydrophobicContact CB-CZ 3.79Å; A235-C267 CarbonylContact O-C 3.56Å; A235-C267 VanDerWaalsContact O-CA 3.29Å; A235-C267 WeakPolarHBondContact O-CA 3.39Å; A235-E268 PolarHBondContact N-O 2.91Å; A235-E268 PolarHBondContact O-N 2.75Å
236F95.7Very high92.7Very high0 Ų074.3 Ų74.30%035%0.352CS..EExtended strand (participates in β ladder)trans-122.9142.1-179.4-75.3-93.7000111L199 L217 C219 V243 R244 A250 Y252 C267L199-F236 HydrophobicContact CD1-CD1 4.16Å; L199-F236 HydrophobicContact CD1-CE1 3.52Å; L217-F236 HydrophobicContact CB-CE1 4.01Å; C219-F236 HydrophobicContact CB-CE1 4.27Å; C219-F236 HydrophobicContact CB-CE2 4.47Å; C219-F236 HydrophobicContact CB-CZ 3.81Å; F236-V243 HydrophobicContact CB-CG2 3.8Å; F236-V243 WeakPolarHBondContact O-CG2 3.39Å; F236-V243 PolarHBondContact O-N 2.92Å; F236-R244 HydrophobicContact CB-CB 4.16Å; F236-R244 HydrophobicContact CD2-CB 4.49Å; F236-R244 PolarHBondContact N-O 2.79Å; F236-R244 PolarHBondContact O-N 2.78Å; F236-A250 WeakPolarHBondContact CZ-O 3.48Å; F236-Y252 HydrophobicContact CB-CD1 4.22Å; F236-Y252 HydrophobicContact CB-CG 4.22Å; F236-Y252 HydrophobicContact CD1-CD1 4.25Å; F236-Y252 HydrophobicContact CD1-CG 4.4Å; F236-Y252 HydrophobicContact CD2-CG 4.26Å; F236-Y252 HydrophobicContact CG-CD1 4.22Å; F236-Y252 HydrophobicContact CG-CG 4.06Å; F236-C267 HydrophobicContact CD1-CB 3.88Å; F236-C267 HydrophobicContact CE1-CB 3.88Å; F236-C267 HydrophobicContact CG-CB 4.43Å; F236-C267 HydrophobicContact CZ-CB 4.39Å
237Y93.3Very high93Very high36 Ų3672.3 Ų72.314%0.14135%0.345CS..EExtended strand (participates in β ladder)trans-134.4138.8-174.2-63.3-97.2000110.7A235 R241 A242 Y265 W266 E268A235-Y237 HydrophobicContact CB-CE2 3.73Å; Y237-R241 CarbonylContact C-O 3.52Å; Y237-R241 VanDerWaalsContact CA-O 3.26Å; Y237-R241 WeakPolarHBondContact CA-O 3.5Å; Y237-A242 HydrophobicContact CD1-CB 3.9Å; Y237-A242 HydrophobicContact CE1-CB 3.69Å; Y237-Y265 VanDerWaalsContact O-CA 3.31Å; Y237-Y265 WeakPolarHBondContact O-CA 3.4Å; Y237-W266 VanDerWaalsContact CB-NE1 3.28Å; Y237-W266 HydrophobicContact CD1-CH2 4.11Å; Y237-W266 AromaticContact CD1-CZ2 3.68Å; Y237-W266 HydrophobicContact CD1-CZ2 3.68Å; Y237-W266 HydrophobicContact CD2-CD2 4.17Å; Y237-W266 AromaticContact CD2-CE2 3.9Å; Y237-W266 HydrophobicContact CD2-CE3 4.12Å; Y237-W266 AromaticContact CD2-CH2 3.43Å; Y237-W266 HydrophobicContact CD2-CH2 3.43Å; Y237-W266 VanDerWaalsContact CD2-CH2 3.43Å; Y237-W266 AromaticContact CD2-CZ2 3.56Å; Y237-W266 HydrophobicContact CD2-CZ2 3.56Å; Y237-W266 AromaticContact CD2-CZ3 3.75Å; Y237-W266 HydrophobicContact CD2-CZ3 3.75Å; Y237-W266 HydrophobicContact CE1-CH2 4.23Å; Y237-W266 HydrophobicContact CE1-CZ2 4.21Å; Y237-W266 AromaticContact CE2-CH2 3.59Å; Y237-W266 HydrophobicContact CE2-CH2 3.59Å; Y237-W266 HydrophobicContact CE2-CZ2 4.11Å; Y237-W266 AromaticContact CE2-CZ3 3.97Å; Y237-W266 HydrophobicContact CE2-CZ3 3.97Å; Y237-W266 HydrophobicContact CG-CD2 4.31Å; Y237-W266 AromaticContact CG-CE2 3.64Å; Y237-W266 AromaticContact CG-CH2 3.72Å; Y237-W266 HydrophobicContact CG-CH2 3.72Å; Y237-W266 AromaticContact CG-CZ2 3.33Å; Y237-W266 HydrophobicContact CG-CZ2 3.33Å; Y237-W266 HydrophobicContact CG-CZ3 4.4Å; Y237-W266 PolarHBondContact N-O 2.83Å; Y237-W266 PolarHBondContact O-N 2.9Å; Y237-E268 HydrophobicContact CE2-CB 3.92Å
238K90.2Very high93.1Very high46 Ų4676.4 Ų76.420%0.236%0.359CS..EExtended strand (participates in β ladder)trans-106.9114.7166174.5178.1172.6169.70106.3S240 R241 V243 E263 Y265K238-S240 PolarHBondContact O-N 2.95Å; K238-S240 VanDerWaalsContact O-N 3.08Å; K238-R241 PolarHBondContact N-O 2.91Å; K238-R241 PolarHBondContact O-N 3.19Å; K238-V243 HydrophobicContact CB-CG1 3.66Å; K238-E263 WeakPolarHBondContact CE-OE1 3.01Å; K238-E263 WeakPolarHBondContact CE-OE2 3.44Å; K238-E263 IonicContact NZ-OE1 2.74Å; K238-E263 PolarHBondContact NZ-OE1 3.23Å; K238-E263 IonicContact NZ-OE2 2.69Å; K238-E263 PolarHBondContact NZ-OE2 3.01Å; K238-Y265 HydrophobicContact CB-CD1 4.17Å; K238-Y265 HydrophobicContact CB-CE1 3.8Å; K238-Y265 HydrophobicContact CG-CE1 4.36Å; K238-Y265 HydrophobicContact CG-CE2 4.46Å
239Y86.4Confident93.3Very high102 Ų10269.5 Ų69.540%0.434%0.343SS..THydrogen-bonded Turntrans50.8-113.9-168.3-61.2-72000111.9E261 L262 S264 W266 W282Y239-E261 PolarHBondContact OH-O 2.82Å; Y239-L262 PolarHBondContact OH-O 3.06Å; Y239-S264 PolarHBondContact N-O 3.26Å; Y239-W266 PolarHBondContact O-NE1 2.64Å; Y239-W282 WeakPolarHBondContact O-CH2 3.49Å; Y239-W282 WeakPolarHBondContact O-CZ3 3.26Å
240S87.3Confident93.5Very high115 Ų11563.3 Ų63.380%0.80431%0.314SS*.THydrogen-bonded Turntrans-95.8-11.6175.356.30000114.1K238K238-S240 PolarHBondContact O-N 2.95Å; K238-S240 VanDerWaalsContact O-N 3.08Å
241R90.6Very high93.6Very high189 Ų18965.7 Ų65.771%0.71332%0.323SS*.EExtended strand (participates in β ladder)trans-84123.3-176.1-175.2179.9-180-171.1-0110.3Y237 K238 V243Y237-R241 CarbonylContact C-O 3.52Å; Y237-R241 VanDerWaalsContact CA-O 3.26Å; Y237-R241 WeakPolarHBondContact CA-O 3.5Å; K238-R241 PolarHBondContact N-O 2.91Å; K238-R241 PolarHBondContact O-N 3.19Å; R241-V243 PolarHBondContact O-N 3.01Å
242A92.7Very high93.4Very high49 Ų4964 Ų6441%0.40531%0.307SS..EExtended strand (participates in β ladder)trans-68.7111.9168.600000109.5Y237Y237-A242 HydrophobicContact CD1-CB 3.9Å; Y237-A242 HydrophobicContact CE1-CB 3.69Å
243V92.1Very high93.1Very high43 Ų4367.1 Ų67.126%0.26133%0.327SS..EExtended strand (participates in β ladder)trans-88.4-28.5174.7-64.60000111.5F236 K238 R241 Y252 Y265F236-V243 HydrophobicContact CB-CG2 3.8Å; F236-V243 WeakPolarHBondContact O-CG2 3.39Å; F236-V243 PolarHBondContact O-N 2.92Å; K238-V243 HydrophobicContact CB-CG1 3.66Å; R241-V243 PolarHBondContact O-N 3.01Å; V243-Y252 HydrophobicContact CB-CE1 4.35Å; V243-Y252 HydrophobicContact CB-CE2 4.47Å; V243-Y252 HydrophobicContact CG2-CD1 4.27Å; V243-Y252 HydrophobicContact CG2-CE1 3.62Å; V243-Y252 HydrophobicContact CG2-CE2 4.27Å; V243-Y265 HydrophobicContact CG2-CE1 4.27Å
244R93.9Very high92.5Very high45 Ų4566.1 Ų66.117%0.1732%0.322CS..EExtended strand (participates in β ladder)trans-136.9130.7165.6-161.1171.457.864.8-22.4110.7F234 A235 F236 G249 E251 Y252F234-R244 PolarHBondContact O-NH1 2.92Å; A235-R244 WeakPolarHBondContact CA-O 3.36Å; A235-R244 WeakPolarHBondContact CB-O 3.23Å; F236-R244 HydrophobicContact CB-CB 4.16Å; F236-R244 HydrophobicContact CD2-CB 4.49Å; F236-R244 PolarHBondContact N-O 2.79Å; F236-R244 PolarHBondContact O-N 2.78Å; R244-G249 PolarHBondContact NH2-O 3.46Å; R244-E251 PolarHBondContact NE-O 2.98Å; R244-E251 PolarHBondContact NH2-O 2.77Å; R244-Y252 HydrophobicContact CB-CD2 4.16Å
245R95.1Very high91.6Very high214 Ų21469.3 Ų69.381%0.80835%0.345SS*.EExtended strand (participates in β ladder)trans-72.8171.8173.4-64.8-177.4-177.3-113.70.9110.5D247R245-D247 PolarHBondContact O-N 3.34Å
246F95.6Very high90.2Very high34 Ų3474.9 Ų74.915%0.14937%0.371CS..EExtended strand (participates in β ladder)trans-55.7121.2176.2-81.9-77.5000111.9Q233 F234 A235 E268 A270Q233-F246 HydrophobicContact CB-CB 4.3Å; Q233-F246 HydrophobicContact CB-CD1 3.72Å; Q233-F246 HydrophobicContact CB-CG 4.49Å; F234-F246 WeakPolarHBondContact O-CA 3.47Å; A235-F246 HydrophobicContact CB-CD1 4.06Å; A235-F246 HydrophobicContact CB-CD2 3.85Å; A235-F246 HydrophobicContact CB-CE1 3.98Å; A235-F246 HydrophobicContact CB-CE2 3.72Å; A235-F246 HydrophobicContact CB-CG 4Å; A235-F246 HydrophobicContact CB-CZ 3.79Å; F246-E268 HydrophobicContact CZ-CB 4.06Å; F246-E268 HydrophobicContact CZ-CG 4.02Å; F246-E268 VanDerWaalsContact CZ-OE1 3.23Å; F246-E268 WeakPolarHBondContact CZ-OE1 3.48Å; F246-A270 HydrophobicContact CD1-CB 4.38Å; F246-A270 HydrophobicContact CE1-CB 3.63Å; F246-A270 HydrophobicContact CZ-CB 4.16Å
247D94.6Very high88.5Confident80 Ų8078.4 Ų78.443%0.42839%0.394SS..EExtended strand (participates in β ladder)trans-152168.8177.2-177.130.1000109.2Q233 F234 R245Q233-D247 CarbonylContact C-O 3.58Å; Q233-D247 WeakPolarHBondContact CA-O 3Å; F234-D247 PolarHBondContact N-O 2.94Å; F234-D247 PolarHBondContact O-N 2.97Å; R245-D247 PolarHBondContact O-N 3.34Å
248W94.1Very high86.7Confident142 Ų14284 Ų8454%0.53842%0.422SS..SBendtrans-75.6-25-174.6-53.7108000114.2P231 Q233 A250 A272P231-W248 HydrophobicContact CB-CH2 4.33Å; P231-W248 HydrophobicContact CB-CZ3 3.77Å; Q233-W248 HydrophobicContact CG-CD2 4.11Å; Q233-W248 HydrophobicContact CG-CE3 3.55Å; Q233-W248 HydrophobicContact CG-CH2 3.81Å; Q233-W248 HydrophobicContact CG-CZ2 4.32Å; Q233-W248 HydrophobicContact CG-CZ3 3.35Å; W248-A250 PolarHBondContact O-N 2.92Å; W248-A272 HydrophobicContact CH2-CB 3.85Å; W248-A272 HydrophobicContact CZ3-CB 4.3Å
249G93.4Very high84.8Confident33 Ų3389 Ų8934%0.3446%0.456SS..  trans-62.1132.517600000111.3F234 R244 E251F234-G249 WeakPolarHBondContact CB-O 3.01Å; F234-G249 WeakPolarHBondContact CD2-O 3.46Å; R244-G249 PolarHBondContact NH2-O 3.46Å; G249-E251 VanDerWaalsContact C-N 3.27Å
250A94.1Very high83.3Confident29 Ų2991.1 Ų91.124%0.2447%0.469CS..SBendtrans-85.3-0.317400000113.2C219 F234 F236 W248C219-A250 PolarHBondContact N-O 2.88Å; F234-A250 HydrophobicContact CD2-CB 3.96Å; F234-A250 HydrophobicContact CE1-CB 4.38Å; F234-A250 HydrophobicContact CE2-CB 3.77Å; F234-A250 HydrophobicContact CG-CB 4.36Å; F234-A250 HydrophobicContact CZ-CB 3.99Å; F236-A250 WeakPolarHBondContact CZ-O 3.48Å; W248-A250 PolarHBondContact O-N 2.92Å
251E94.8Very high81.6Confident86 Ų8693.8 Ų93.840%0.40247%0.469SS..EExtended strand (participates in β ladder)trans-120.3160.2-171.2-68.1171.3-178.300111.3L217 R218 R244 G249L217-E251 CarbonylContact O-C 3.59Å; L217-E251 VanDerWaalsContact O-CA 3.26Å; L217-E251 WeakPolarHBondContact O-CA 3.45Å; R218-E251 HydrophobicContact CB-CG 4Å; R218-E251 WeakPolarHBondContact CD-OE1 3.35Å; R218-E251 HydrophobicContact CG-CG 3.87Å; R218-E251 IonicContact CZ-OE1 2.69Å; R218-E251 IonicContact NE-OE1 3.26Å; R218-E251 IonicContact NH1-OE1 3.7Å; R218-E251 PolarHBondContact NH1-OE1 2.79Å; R244-E251 PolarHBondContact NE-O 2.98Å; R244-E251 PolarHBondContact NH2-O 2.77Å; G249-E251 VanDerWaalsContact C-N 3.27Å
252Y90.6Very high80.1Confident37 Ų3790.4 Ų90.415%0.14547%0.465CS..EExtended strand (participates in β ladder)trans-155.8120.9177.9169.3-110.3000110L217 F236 V243 R244 V254 Y265L217-Y252 HydrophobicContact CD1-CD1 4.47Å; L217-Y252 PolarHBondContact N-O 3.39Å; L217-Y252 PolarHBondContact O-N 2.83Å; F236-Y252 HydrophobicContact CB-CD1 4.22Å; F236-Y252 HydrophobicContact CB-CG 4.22Å; F236-Y252 HydrophobicContact CD1-CD1 4.25Å; F236-Y252 HydrophobicContact CD1-CG 4.4Å; F236-Y252 HydrophobicContact CD2-CG 4.26Å; F236-Y252 HydrophobicContact CG-CD1 4.22Å; F236-Y252 HydrophobicContact CG-CG 4.06Å; V243-Y252 HydrophobicContact CB-CE1 4.35Å; V243-Y252 HydrophobicContact CB-CE2 4.47Å; V243-Y252 HydrophobicContact CG2-CD1 4.27Å; V243-Y252 HydrophobicContact CG2-CE1 3.62Å; V243-Y252 HydrophobicContact CG2-CE2 4.27Å; R244-Y252 HydrophobicContact CB-CD2 4.16Å; Y252-V254 HydrophobicContact CD1-CG2 4.05Å; Y252-V254 HydrophobicContact CE1-CB 4.46Å; Y252-V254 HydrophobicContact CE1-CG2 3.81Å; Y252-V254 PolarHBondContact O-N 2.9Å; Y252-Y265 HydrophobicContact CE1-CE1 4.01Å
253T89.2Confident79.3Confident85 Ų8589 Ų8952%0.52145%0.45SS..EExtended strand (participates in β ladder)trans-79.2119.1171.4-47.50000109.3V216V216-T253 HydrophobicContact CG2-CG2 4.31Å
254V83.8Confident79.1Confident4 Ų487.6 Ų87.62%0.02444%0.441CS..EExtended strand (participates in β ladder)trans-73.6123.7170-179.10000107.4G214 V215 L217 Y252 Y265 L285G214-V254 WeakPolarHBondContact CA-O 3.36Å; V215-V254 HydrophobicContact CB-CB 4.35Å; V215-V254 PolarHBondContact N-O 2.64Å; V215-V254 WeakPolarHBondContact O-CB 3.5Å; V215-V254 PolarHBondContact O-N 3.16Å; L217-V254 HydrophobicContact CD1-CG2 3.43Å; L217-V254 VanDerWaalsContact CD1-CG2 3.43Å; L217-V254 HydrophobicContact CG-CG2 3.69Å; Y252-V254 HydrophobicContact CD1-CG2 4.05Å; Y252-V254 HydrophobicContact CE1-CB 4.46Å; Y252-V254 HydrophobicContact CE1-CG2 3.81Å; Y252-V254 PolarHBondContact O-N 2.9Å; V254-Y265 HydrophobicContact CG1-CE2 4.31Å; V254-Y265 WeakPolarHBondContact CG1-OH 3.34Å; V254-Y265 HydrophobicContact CG2-CE1 4.18Å; V254-L285 HydrophobicContact CG1-CD1 4.03Å; V254-L285 HydrophobicContact CG2-CD1 4.21Å
255P80Confident78.9Confident87 Ų8785.7 Ų85.757%0.56543%0.434SS*.PPolyproline II helixtrans-55.2156.3169.1-22.934.1000110.8
256E67.9Low79Confident117 Ų11776 Ų7655%0.54740%0.398SS..PPolyproline II helixtrans-52.5134.5175.8-69.4-177.6173.600110.4G213 E258G213-E256 WeakPolarHBondContact CA-OE1 3.24Å; E256-E258 PolarHBondContact O-N 2.85Å
257P59.8Low79Confident74 Ų7474.4 Ų74.448%0.48139%0.391SS..PPolyproline II helixtrans-66.5120-173.425.9-33.5000110.3P288P257-P288 HydrophobicContact CG-CG 4.38Å
258E54Low79.1Confident154 Ų15470.7 Ų70.772%0.7237%0.371SS*.PPolyproline II helixtrans-58.2151.3153.1-69.6178.1142.100108E256 E260E256-E258 PolarHBondContact O-N 2.85Å; E258-E260 PolarHBondContact O-N 2.84Å
259V51.9Low79.3Confident151 Ų15163.9 Ų63.992%0.91535%0.345SS*.SBendtrans-78.541.6-164.4-164.20000112.4
260E53.3Low79.5Confident145 Ų14562.3 Ų62.368%0.67833%0.329SS*.  trans-101.5137.6177.9-63.3-164.8160.100111.3E258E258-E260 PolarHBondContact O-N 2.84Å
261E53.1Low79.5Confident172 Ų17261.3 Ų61.380%0.80432%0.32SS*.THydrogen-bonded Turntrans-72.9140.2-158-59.4174.7135.900114.8Y239 E263Y239-E261 PolarHBondContact OH-O 2.82Å; E261-E263 PolarHBondContact O-N 3.44Å
262L58.5Low79.4Confident118 Ų11859.3 Ų59.362%0.61832%0.318SS*.THydrogen-bonded Turntrans5840.3160.2-64.9167.9000116.9Y239 S264Y239-L262 PolarHBondContact OH-O 3.06Å; L262-S264 PolarHBondContact O-N 2.82Å; L262-S264 PolarHBondContact O-OG 2.87Å; L262-S264 VanDerWaalsContact O-OG 3.09Å
263E75.1Confident79.4Confident19 Ų1963 Ų639%0.08934%0.344CS..  trans-50.4108.1-178.4-50.6-156.4166.500113.9K238 E261 Y265 L285K238-E263 WeakPolarHBondContact CE-OE1 3.01Å; K238-E263 WeakPolarHBondContact CE-OE2 3.44Å; K238-E263 IonicContact NZ-OE1 2.74Å; K238-E263 PolarHBondContact NZ-OE1 3.23Å; K238-E263 IonicContact NZ-OE2 2.69Å; K238-E263 PolarHBondContact NZ-OE2 3.01Å; E261-E263 PolarHBondContact O-N 3.44Å; E263-Y265 HydrophobicContact CB-CD2 4.27Å; E263-Y265 HydrophobicContact CB-CE2 3.67Å; E263-Y265 PolarHBondContact OE2-OH 2.91Å; E263-L285 PolarHBondContact O-N 2.85Å
264S87.8Confident79.4Confident13 Ų1365.3 Ų65.39%0.09134%0.344CS..EExtended strand (participates in β ladder)trans-99.1114.3-177.3-62.20000110.9Y239 L262Y239-S264 PolarHBondContact N-O 3.26Å; L262-S264 PolarHBondContact O-N 2.82Å; L262-S264 PolarHBondContact O-OG 2.87Å; L262-S264 VanDerWaalsContact O-OG 3.09Å
265Y91.3Very high79.8Confident6 Ų666.6 Ų66.62%0.02435%0.353CS..EExtended strand (participates in β ladder)trans-103153-178.1-74.5-96.2000112.1L217 Y237 K238 V243 Y252 V254 E263 W282 L283 L285L217-Y265 HydrophobicContact CD1-CD1 3.86Å; L217-Y265 HydrophobicContact CD1-CD2 4.43Å; L217-Y265 HydrophobicContact CD1-CG 3.8Å; Y237-Y265 VanDerWaalsContact O-CA 3.31Å; Y237-Y265 WeakPolarHBondContact O-CA 3.4Å; K238-Y265 HydrophobicContact CB-CD1 4.17Å; K238-Y265 HydrophobicContact CB-CE1 3.8Å; K238-Y265 HydrophobicContact CG-CE1 4.36Å; K238-Y265 HydrophobicContact CG-CE2 4.46Å; V243-Y265 HydrophobicContact CG2-CE1 4.27Å; Y252-Y265 HydrophobicContact CE1-CE1 4.01Å; V254-Y265 HydrophobicContact CG1-CE2 4.31Å; V254-Y265 WeakPolarHBondContact CG1-OH 3.34Å; V254-Y265 HydrophobicContact CG2-CE1 4.18Å; E263-Y265 HydrophobicContact CB-CD2 4.27Å; E263-Y265 HydrophobicContact CB-CE2 3.67Å; E263-Y265 PolarHBondContact OE2-OH 2.91Å; Y265-W282 CarbonylContact O-C 3.56Å; Y265-W282 WeakPolarHBondContact O-CA 3.27Å; Y265-L283 PolarHBondContact N-O 2.88Å; Y265-L283 PolarHBondContact O-N 3.47Å; Y265-L285 HydrophobicContact CD2-CD1 3.75Å; Y265-L285 HydrophobicContact CD2-CG 4.04Å; Y265-L285 HydrophobicContact CE2-CD1 3.57Å; Y265-L285 HydrophobicContact CE2-CG 4.32Å
266W95.4Very high80.5Confident11 Ų1162.9 Ų62.94%0.04233%0.328CS..EExtended strand (participates in β ladder)trans-151.8160.3167.962-73000110.1Y237 Y239 E268 R279 S280 W282Y237-W266 VanDerWaalsContact CB-NE1 3.28Å; Y237-W266 HydrophobicContact CD1-CH2 4.11Å; Y237-W266 AromaticContact CD1-CZ2 3.68Å; Y237-W266 HydrophobicContact CD1-CZ2 3.68Å; Y237-W266 HydrophobicContact CD2-CD2 4.17Å; Y237-W266 AromaticContact CD2-CE2 3.9Å; Y237-W266 HydrophobicContact CD2-CE3 4.12Å; Y237-W266 AromaticContact CD2-CH2 3.43Å; Y237-W266 HydrophobicContact CD2-CH2 3.43Å; Y237-W266 VanDerWaalsContact CD2-CH2 3.43Å; Y237-W266 AromaticContact CD2-CZ2 3.56Å; Y237-W266 HydrophobicContact CD2-CZ2 3.56Å; Y237-W266 AromaticContact CD2-CZ3 3.75Å; Y237-W266 HydrophobicContact CD2-CZ3 3.75Å; Y237-W266 HydrophobicContact CE1-CH2 4.23Å; Y237-W266 HydrophobicContact CE1-CZ2 4.21Å; Y237-W266 AromaticContact CE2-CH2 3.59Å; Y237-W266 HydrophobicContact CE2-CH2 3.59Å; Y237-W266 HydrophobicContact CE2-CZ2 4.11Å; Y237-W266 AromaticContact CE2-CZ3 3.97Å; Y237-W266 HydrophobicContact CE2-CZ3 3.97Å; Y237-W266 HydrophobicContact CG-CD2 4.31Å; Y237-W266 AromaticContact CG-CE2 3.64Å; Y237-W266 AromaticContact CG-CH2 3.72Å; Y237-W266 HydrophobicContact CG-CH2 3.72Å; Y237-W266 AromaticContact CG-CZ2 3.33Å; Y237-W266 HydrophobicContact CG-CZ2 3.33Å; Y237-W266 HydrophobicContact CG-CZ3 4.4Å; Y237-W266 PolarHBondContact N-O 2.83Å; Y237-W266 PolarHBondContact O-N 2.9Å; Y239-W266 PolarHBondContact O-NE1 2.64Å; W266-E268 HydrophobicContact CZ3-CB 3.83Å; W266-E268 HydrophobicContact CZ3-CG 4.2Å; W266-R279 HydrophobicContact CE3-CB 4.08Å; W266-R279 HydrophobicContact CE3-CG 4.15Å; W266-R279 HydrophobicContact CZ3-CB 4.09Å; W266-R279 VanDerWaalsContact CZ3-CD 3.47Å; W266-R279 HydrophobicContact CZ3-CG 3.64Å; W266-S280 WeakPolarHBondContact CB-OG 3.43Å; W266-W282 HydrophobicContact CB-CE3 4.37Å; W266-W282 AromaticContact CD1-CE3 3.37Å; W266-W282 AromaticContact CD1-CH2 3.57Å; W266-W282 AromaticContact CD1-CZ3 3.03Å; W266-W282 HydrophobicContact CG-CE3 4.08Å; W266-W282 HydrophobicContact CG-CH2 4.46Å; W266-W282 HydrophobicContact CG-CZ3 4.06Å; W266-W282 AromaticContact NE1-CH2 3.37Å; W266-W282 AromaticContact NE1-CZ3 3.29Å; W266-W282 VanDerWaalsContact NE1-CZ3 3.29Å
267C96.7Very high81.8Confident0 Ų062.1 Ų62.10%032%0.32CS..EExtended strand (participates in β ladder)trans-120.7155.317770.60000112.2L199 C219 A235 F236 S280L199-C267 HydrophobicContact CD1-CB 4.27Å; C219-C267 HydrophobicContact CB-CB 3.62Å; C219-C267 WeakPolarHBondContact CB-SG 3.37Å; C219-C267 WeakPolarHBondContact SG-CB 3.39Å; C219-C267 CovalentContact SG-SG 2.03Å; C219-C267 PolarHBondContact SG-SG 2.04Å; A235-C267 CarbonylContact O-C 3.56Å; A235-C267 VanDerWaalsContact O-CA 3.29Å; A235-C267 WeakPolarHBondContact O-CA 3.39Å; F236-C267 HydrophobicContact CD1-CB 3.88Å; F236-C267 HydrophobicContact CE1-CB 3.88Å; F236-C267 HydrophobicContact CG-CB 4.43Å; F236-C267 HydrophobicContact CZ-CB 4.39Å; C267-S280 PolarHBondContact N-OG 2.94Å; C267-S280 PolarHBondContact O-N 3.48Å; C267-S280 PolarHBondContact O-OG 2.95Å
268E97.3Very high83.5Confident1 Ų160 Ų601%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-124.3120.3177.3-159.1171.489.800108.9F234 A235 Y237 F246 W266 R277 K278 R279F234-E268 CarbonylContact C-O 3.51Å; F234-E268 WeakPolarHBondContact CA-O 3.28Å; A235-E268 PolarHBondContact N-O 2.91Å; A235-E268 PolarHBondContact O-N 2.75Å; Y237-E268 HydrophobicContact CE2-CB 3.92Å; F246-E268 HydrophobicContact CZ-CB 4.06Å; F246-E268 HydrophobicContact CZ-CG 4.02Å; F246-E268 VanDerWaalsContact CZ-OE1 3.23Å; F246-E268 WeakPolarHBondContact CZ-OE1 3.48Å; W266-E268 HydrophobicContact CZ3-CB 3.83Å; W266-E268 HydrophobicContact CZ3-CG 4.2Å; E268-R277 HydrophobicContact CG-CG 3.83Å; E268-R277 VanDerWaalsContact OE1-CD 3.26Å; E268-R277 WeakPolarHBondContact OE1-CD 3.43Å; E268-R277 IonicContact OE1-CZ 2.96Å; E268-R277 IonicContact OE1-NE 3.67Å; E268-R277 IonicContact OE1-NH1 2.69Å; E268-R277 PolarHBondContact OE1-NH1 3.4Å; E268-R277 IonicContact OE1-NH2 2.91Å; E268-K278 WeakPolarHBondContact CA-O 3.4Å; E268-R279 HydrophobicContact CG-CG 4.1Å; E268-R279 IonicContact OE2-CZ 2.59Å; E268-R279 VanDerWaalsContact OE2-CZ 3.26Å; E268-R279 IonicContact OE2-NE 3.51Å; E268-R279 PolarHBondContact OE2-NE 2.79Å; E268-R279 IonicContact OE2-NH2 3.71Å; E268-R279 PolarHBondContact OE2-NH2 2.96Å
269A97.4Very high85.6Confident0 Ų059.9 Ų59.90%030%0.297CS..EExtended strand (participates in β ladder)trans-103.2135.3174.900000109.4F194 P197 T221 Q233 F234 R277 K278F194-A269 HydrophobicContact CE2-CB 3.84Å; F194-A269 HydrophobicContact CZ-CB 4.46Å; F194-A269 WeakPolarHBondContact CZ-O 3.45Å; P197-A269 HydrophobicContact CB-CB 4.14Å; P197-A269 HydrophobicContact CG-CB 3.94Å; T221-A269 HydrophobicContact CG2-CB 4.49Å; Q233-A269 WeakPolarHBondContact O-CA 3.4Å; F234-A269 HydrophobicContact CD1-CB 3.82Å; F234-A269 HydrophobicContact CE1-CB 3.83Å; A269-R277 WeakPolarHBondContact O-CA 3.48Å; A269-K278 PolarHBondContact N-O 3.22Å; A269-K278 PolarHBondContact O-N 2.85Å
270A96.8Very high87.7Confident0 Ų053.2 Ų53.20%026%0.257CS..EExtended strand (participates in β ladder)trans-145156.5-179.300000112.4L232 Q233 F246 V276 R277L232-A270 CarbonylContact C-O 3.49Å; L232-A270 WeakPolarHBondContact CA-O 3.48Å; Q233-A270 PolarHBondContact N-O 2.88Å; Q233-A270 PolarHBondContact O-N 3.01Å; F246-A270 HydrophobicContact CD1-CB 4.38Å; F246-A270 HydrophobicContact CE1-CB 3.63Å; F246-A270 HydrophobicContact CZ-CB 4.16Å; A270-V276 CarbonylContact C-O 3.59Å; A270-V276 WeakPolarHBondContact CA-O 3.11Å; A270-V276 WeakPolarHBondContact CB-O 2.97Å; A270-R277 HydrophobicContact CB-CB 4.18Å; A270-R277 HydrophobicContact CB-CG 4.38Å
271T95.3Very high89.7Confident7 Ų750.4 Ų50.44%0.04325%0.251CS..EExtended strand (participates in β ladder)trans-64.7157.3166.251.70000110.8L193 F194 T230 L232 T273 R274 S275 V276L193-T271 HydrophobicContact CD2-CG2 3.48Å; L193-T271 VanDerWaalsContact CD2-CG2 3.48Å; F194-T271 HydrophobicContact CE1-CG2 4.42Å; T230-T271 HydrophobicContact CG2-CG2 4.3Å; L232-T271 HydrophobicContact CD2-CG2 4.23Å; T271-T273 PolarHBondContact O-N 2.66Å; T271-T273 PolarHBondContact OG1-OG1 2.91Å; T271-R274 WeakPolarHBondContact O-CA 3.13Å; T271-R274 PolarHBondContact O-N 3.16Å; T271-R274 PolarHBondContact OG1-N 2.69Å; T271-S275 PolarHBondContact OG1-N 2.99Å; T271-S275 VanDerWaalsContact OG1-N 3.14Å; T271-S275 PolarHBondContact OG1-OG 3.29Å; T271-S275 VanDerWaalsContact OG1-OG 3.07Å; T271-V276 HydrophobicContact CG2-CB 4.12Å; T271-V276 HydrophobicContact CG2-CG2 4.36Å; T271-V276 PolarHBondContact N-O 2.9Å; T271-V276 PolarHBondContact OG1-N 2.9Å
272A92Very high91.6Very high45 Ų4549.7 Ų49.737%0.37224%0.241SC..THydrogen-bonded Turntrans-53.6-37.417500000113.4P231 W248 R274P231-A272 HydrophobicContact CG-CB 4.42Å; P231-A272 PolarHBondContact O-N 2.84Å; W248-A272 HydrophobicContact CH2-CB 3.85Å; W248-A272 HydrophobicContact CZ3-CB 4.3Å; A272-R274 VanDerWaalsContact C-N 3.27Å; A272-R274 PolarHBondContact O-N 2.96Å
273T90.4Very high93.1Very high113 Ų11346.2 Ų46.269%0.69322%0.223SC*.THydrogen-bonded Turntrans-78.9-7.1174.555.30000113.9T271 S275T271-T273 PolarHBondContact O-N 2.66Å; T271-T273 PolarHBondContact OG1-OG1 2.91Å; T273-S275 PolarHBondContact O-N 3.24Å; T273-S275 PolarHBondContact OG1-OG 3.23Å
274R90.4Very high93.6Very high135 Ų13551.4 Ų51.451%0.50925%0.247SC..SBendtrans59.617.7-176.3-54.1172.9177.1-178.23.6114.5T271 A272 V276T271-R274 WeakPolarHBondContact O-CA 3.13Å; T271-R274 PolarHBondContact O-N 3.16Å; T271-R274 PolarHBondContact OG1-N 2.69Å; A272-R274 VanDerWaalsContact C-N 3.27Å; A272-R274 PolarHBondContact O-N 2.96Å; R274-V276 VanDerWaalsContact C-N 3.31Å; R274-V276 PolarHBondContact O-N 2.85Å
275S91Very high93.1Very high30 Ų3052.1 Ų52.121%0.2125%0.25CC..SBendtrans-64.1-33.8175.357.10000112.9T271 T273T271-S275 PolarHBondContact OG1-N 2.99Å; T271-S275 VanDerWaalsContact OG1-N 3.14Å; T271-S275 PolarHBondContact OG1-OG 3.29Å; T271-S275 VanDerWaalsContact OG1-OG 3.07Å; T273-S275 PolarHBondContact O-N 3.24Å; T273-S275 PolarHBondContact OG1-OG 3.23Å
276V95.3Very high91.8Very high9 Ų955.5 Ų55.56%0.05527%0.272CS..SBendtrans-117.6134.6170.7-170.20000108.2E116 L193 F194 A270 T271 R274E116-V276 HydrophobicContact CB-CG1 4.22Å; E116-V276 HydrophobicContact CB-CG2 3.75Å; E116-V276 WeakPolarHBondContact O-CG2 3.28Å; L193-V276 HydrophobicContact CD2-CB 4.25Å; L193-V276 HydrophobicContact CD2-CG2 3.82Å; F194-V276 HydrophobicContact CD1-CG1 4.38Å; F194-V276 HydrophobicContact CE1-CB 3.91Å; F194-V276 HydrophobicContact CE1-CG1 3.58Å; F194-V276 HydrophobicContact CZ-CB 4.4Å; F194-V276 HydrophobicContact CZ-CG1 3.87Å; A270-V276 CarbonylContact C-O 3.59Å; A270-V276 WeakPolarHBondContact CA-O 3.11Å; A270-V276 WeakPolarHBondContact CB-O 2.97Å; T271-V276 HydrophobicContact CG2-CB 4.12Å; T271-V276 HydrophobicContact CG2-CG2 4.36Å; T271-V276 PolarHBondContact N-O 2.9Å; T271-V276 PolarHBondContact OG1-N 2.9Å; R274-V276 VanDerWaalsContact C-N 3.31Å; R274-V276 PolarHBondContact O-N 2.85Å
277R95.3Very high90Very high101 Ų10157.3 Ų57.338%0.38130%0.295SS..EExtended strand (participates in β ladder)trans-149.7122.3-176.1175.6177.9-70.7-113.2-26.4108.7E268 A269 A270E268-R277 HydrophobicContact CG-CG 3.83Å; E268-R277 VanDerWaalsContact OE1-CD 3.26Å; E268-R277 WeakPolarHBondContact OE1-CD 3.43Å; E268-R277 IonicContact OE1-CZ 2.96Å; E268-R277 IonicContact OE1-NE 3.67Å; E268-R277 IonicContact OE1-NH1 2.69Å; E268-R277 PolarHBondContact OE1-NH1 3.4Å; E268-R277 IonicContact OE1-NH2 2.91Å; A269-R277 WeakPolarHBondContact O-CA 3.48Å; A270-R277 HydrophobicContact CB-CB 4.18Å; A270-R277 HydrophobicContact CB-CG 4.38Å
278K96.3Very high87.8Confident30 Ų3063.3 Ų63.313%0.1333%0.334CS..EExtended strand (participates in β ladder)trans-131.4145.5179.9-60-175.4178.2175.70110.2E116 E192 F194 E268 A269E116-K278 IonicContact OE1-NZ 3.64Å; E116-K278 PolarHBondContact OE1-NZ 3.44Å; E116-K278 WeakPolarHBondContact OE2-CE 3.46Å; E116-K278 IonicContact OE2-NZ 2.91Å; E116-K278 PolarHBondContact OE2-NZ 3.17Å; E192-K278 IonicContact OE1-NZ 2.73Å; E192-K278 PolarHBondContact OE1-NZ 2.86Å; F194-K278 HydrophobicContact CD2-CD 4.29Å; F194-K278 HydrophobicContact CE2-CB 3.91Å; F194-K278 HydrophobicContact CE2-CD 4.03Å; F194-K278 HydrophobicContact CE2-CG 3.99Å; F194-K278 HydrophobicContact CZ-CB 4.48Å; F194-K278 HydrophobicContact CZ-CG 4.28Å; F194-K278 WeakPolarHBondContact O-CD 3.5Å; F194-K278 PolarHBondContact O-NZ 3.39Å; E268-K278 WeakPolarHBondContact CA-O 3.4Å; A269-K278 PolarHBondContact N-O 3.22Å; A269-K278 PolarHBondContact O-N 2.85Å
279R96.4Very high85.6Confident152 Ų15267 Ų6757%0.57437%0.373SS*.EExtended strand (participates in β ladder)trans-105.9146.9-178.2-59.9-169.1160.4-167.3-12.8110.3W266 E268W266-R279 HydrophobicContact CE3-CB 4.08Å; W266-R279 HydrophobicContact CE3-CG 4.15Å; W266-R279 HydrophobicContact CZ3-CB 4.09Å; W266-R279 VanDerWaalsContact CZ3-CD 3.47Å; W266-R279 HydrophobicContact CZ3-CG 3.64Å; E268-R279 HydrophobicContact CG-CG 4.1Å; E268-R279 IonicContact OE2-CZ 2.59Å; E268-R279 VanDerWaalsContact OE2-CZ 3.26Å; E268-R279 IonicContact OE2-NE 3.51Å; E268-R279 PolarHBondContact OE2-NE 2.79Å; E268-R279 IonicContact OE2-NH2 3.71Å; E268-R279 PolarHBondContact OE2-NH2 2.96Å
280S97.3Very high82.9Confident11 Ų1170.5 Ų70.58%0.07740%0.397CS..PPolyproline II helixtrans-76.8161166.275.10000111P197 W266 C267P197-S280 WeakPolarHBondContact O-CA 3.33Å; P197-S280 WeakPolarHBondContact O-CB 3.28Å; W266-S280 WeakPolarHBondContact CB-OG 3.43Å; C267-S280 PolarHBondContact N-OG 2.94Å; C267-S280 PolarHBondContact O-N 3.48Å; C267-S280 PolarHBondContact O-OG 2.95Å
281P95.4Very high80.2Confident86 Ų8675.4 Ų75.456%0.55843%0.429SS*.PPolyproline II helixtrans-56.1163.9155.2-20.633.8000111.4
282W92.8Very high77.7Confident157 Ų15781.3 Ų81.360%0.59546%0.459SS*.PPolyproline II helixtrans-72.2137.7171.2-55.791000110.5Y239 Y265 W266Y239-W282 WeakPolarHBondContact O-CH2 3.49Å; Y239-W282 WeakPolarHBondContact O-CZ3 3.26Å; Y265-W282 CarbonylContact O-C 3.56Å; Y265-W282 WeakPolarHBondContact O-CA 3.27Å; W266-W282 HydrophobicContact CB-CE3 4.37Å; W266-W282 AromaticContact CD1-CE3 3.37Å; W266-W282 AromaticContact CD1-CH2 3.57Å; W266-W282 AromaticContact CD1-CZ3 3.03Å; W266-W282 HydrophobicContact CG-CE3 4.08Å; W266-W282 HydrophobicContact CG-CH2 4.46Å; W266-W282 HydrophobicContact CG-CZ3 4.06Å; W266-W282 AromaticContact NE1-CH2 3.37Å; W266-W282 AromaticContact NE1-CZ3 3.29Å; W266-W282 VanDerWaalsContact NE1-CZ3 3.29Å
283L89.4Confident74.8Confident45 Ų4585.5 Ų85.524%0.23648%0.476CS..EExtended strand (participates in β ladder)trans-115.5121.1171178.567.4000108.2L199 V201 L217 Y265L199-L283 HydrophobicContact CB-CB 4.38Å; L199-L283 HydrophobicContact CB-CD2 4.44Å; L199-L283 HydrophobicContact CD2-CB 3.81Å; L199-L283 HydrophobicContact CD2-CD2 4.08Å; L199-L283 HydrophobicContact CG-CB 4.15Å; L199-L283 HydrophobicContact CG-CD2 3.77Å; V201-L283 HydrophobicContact CG2-CD2 3.95Å; L217-L283 HydrophobicContact CD2-CD2 3.71Å; Y265-L283 PolarHBondContact N-O 2.88Å; Y265-L283 PolarHBondContact O-N 3.47Å
284Q85.8Confident72.5Confident127 Ų12786.6 Ų86.659%0.59349%0.485SS*.EExtended strand (participates in β ladder)trans-84.8129.9168.6-72.2175.3-2900108.5
285L77.6Confident69.9Low28 Ų2884.4 Ų84.415%0.14750%0.495CS..PPolyproline II helixtrans-78.3141.1171.7-69.7179.7000110.3V201 V215 L217 V254 E263 Y265V201-L285 HydrophobicContact CG2-CD2 4.01Å; V215-L285 HydrophobicContact CG1-CD2 4.07Å; L217-L285 HydrophobicContact CD2-CD2 4.07Å; V254-L285 HydrophobicContact CG1-CD1 4.03Å; V254-L285 HydrophobicContact CG2-CD1 4.21Å; E263-L285 PolarHBondContact O-N 2.85Å; Y265-L285 HydrophobicContact CD2-CD1 3.75Å; Y265-L285 HydrophobicContact CD2-CG 4.04Å; Y265-L285 HydrophobicContact CE2-CD1 3.57Å; Y265-L285 HydrophobicContact CE2-CG 4.32Å
286P63.2Low67Low77 Ų7787.7 Ų87.750%0.552%0.518SS..PPolyproline II helixtrans-62.5135.8169.3-16.129.4000110.2
287G58.5Low64.2Low50 Ų5094.3 Ų94.352%0.51556%0.559SS.*PPolyproline II helixtrans-67.7163.3171.500000112.1G289 S290G287-G289 PolarHBondContact O-N 2.85Å; G287-G289 VanDerWaalsContact O-N 3.15Å; G287-S290 PolarHBondContact O-N 2.87Å
288P50.5Low61.1Low125 Ų12595 Ų9581%0.81257%0.574SS**THydrogen-bonded Turntrans-53.6120.6175.8-24.834.3000111.5P257P257-P288 HydrophobicContact CG-CG 4.38Å
289G50.8Low57.9Low80 Ų8098.2 Ų98.283%0.82561%0.607SS**THydrogen-bonded Turntrans113.3-6177.900000116.6G287G287-G289 PolarHBondContact O-N 2.85Å; G287-G289 VanDerWaalsContact O-N 3.15Å
290S41Very low54.8Low72 Ų7297.1 Ų97.150%0.50362%0.619SS.*  trans-79.3129169.6-173.50000111.3G287G287-S290 PolarHBondContact O-N 2.87Å
291P40.4Very low51.5Low104 Ų104108.2 Ų108.268%0.67566%0.659SS**  trans-59.3140.5168.1-2233.6000111.5D293P291-D293 PolarHBondContact O-N 2.65Å
292L42.6Very low48.3Very low131 Ų131108.8 Ų108.869%0.68667%0.671SS**  trans-84.992.7165.9-76.4168000108.3P294L292-P294 VanDerWaalsContact O-CD 3.28Å; L292-P294 WeakPolarHBondContact O-CD 3.31Å
293D31.5Very low45.1Very low133 Ų133106.1 Ų106.171%0.71168%0.683SS**  trans-75.3116.5169.7-88.9-34.1000110.2P291 A295P291-D293 PolarHBondContact O-N 2.65Å; D293-A295 PolarHBondContact O-N 2.94Å
294P41.1Very low42.7Very low136 Ų136108.9 Ų108.988%0.88371%0.712SS**SBendtrans-79.840.7178.935.3-36.1000112.2L292L292-P294 VanDerWaalsContact O-CD 3.28Å; L292-P294 WeakPolarHBondContact O-CD 3.31Å
295A36.4Very low40.1Very low88 Ų88111 Ų11173%0.72773%0.727SS**  trans-159.465.9-176.800000114.8D293D293-A295 PolarHBondContact O-N 2.94Å
296S29.8Very low37.7Very low99 Ų99114.2 Ų114.269%0.69276%0.757SS**  trans-123.667.4164.460.50000112.9T298S296-T298 PolarHBondContact O-N 3.08Å
297T36.7Very low36.2Very low148 Ų148116.6 Ų116.691%0.90877%0.772SS**  trans-79.668.3164.5-54.90000110
298T28.9Very low34.7Very low116 Ų116117.5 Ų117.571%0.71278%0.782SS**  trans-138.8114.7171.734.60000109.9S296S296-T298 PolarHBondContact O-N 3.08Å
299A29.6Very low33.9Very low98 Ų98120 Ų12081%0.8179%0.788SS**PPolyproline II helixtrans-64.4129.2179.200000111R301A299-R301 PolarHBondContact O-N 3.16Å
300P31.9Very low32.9Very low128 Ų128124.8 Ų124.883%0.83179%0.786SS**PPolyproline II helixtrans-64.7123.9171-20.332.7000110.3A302P300-A302 PolarHBondContact O-N 2.98Å
301R27.6Very low32.6Very low244 Ų244126.5 Ų126.592%0.92180%0.796SS**PPolyproline II helixtrans-63.9128.5173.6-159.8173.6-171.7165.30.5108.4A299 A303A299-R301 PolarHBondContact O-N 3.16Å; R301-A303 PolarHBondContact O-N 2.98Å; R301-A303 VanDerWaalsContact O-N 3.09Å
302A27.8Very low32.1Very low99 Ų99129.7 Ų129.782%0.81881%0.807SS**  trans-59.1114-170.700000112.7P300 A304P300-A302 PolarHBondContact O-N 2.98Å; A302-A304 PolarHBondContact O-N 3.1Å
303A26.8Very low31.3Very low101 Ų101132.7 Ų132.784%0.83581%0.814SS**  trans-74.5110.6165.800000108.7R301 L305R301-A303 PolarHBondContact O-N 2.98Å; R301-A303 VanDerWaalsContact O-N 3.09Å; A303-L305 PolarHBondContact O-N 3.06Å; A303-L305 VanDerWaalsContact O-N 3.16Å
304A38.2Very low31.3Very low103 Ų103136 Ų13685%0.85182%0.822SS**  trans-77.699.3-178.200000111.2A302A302-A304 PolarHBondContact O-N 3.1Å
305L30.7Very low30.6Very low172 Ų172141.1 Ų141.190%0.90182%0.824SS**  trans-15188.7164.2-103.6161.9000109.1A303A303-L305 PolarHBondContact O-N 3.06Å; A303-L305 VanDerWaalsContact O-N 3.16Å
306A27Very low30.4Very low95 Ų95148 Ų14879%0.78583%0.831SS**  trans-114.2112.4-17900000111.4
307P31.6Very low30.5Very low126 Ų126148.5 Ų148.582%0.81883%0.833SS**  trans-70124.4154.9-10.727.7000108.1
308G27.9Very low30.4Very low69 Ų69147.6 Ų147.671%0.71183%0.829SS**  trans-67.7144.6-162.500000116.1K310G308-K310 VanDerWaalsContact C-N 3.34Å; G308-K310 PolarHBondContact O-N 3.21Å
309N34.6Very low30.5Very low177 Ų177148.8 Ų148.895%0.94784%0.836SS**  trans-64.687.4165.1-77.8-29.3000111
310K29.9Very low30.4Very low181 Ų181149.5 Ų149.579%0.78784%0.835SS**  trans-104.3126.4159.5-83-178.6176.2174.80109.1G308G308-K310 VanDerWaalsContact C-N 3.34Å; G308-K310 PolarHBondContact O-N 3.21Å
311P34.3Very low30.2Very low109 Ų109154.7 Ų154.771%0.70884%0.838SS**  trans-64.1142.3171.528.1-33.3000109.7F313P311-F313 PolarHBondContact O-N 3.13Å; P311-F313 VanDerWaalsContact O-N 3.13Å
312L28.8Very low30.3Very low171 Ų171148.4 Ų148.490%0.89583%0.832SS**  trans-60.7115.4177.1-67.1169.2000109.7F314L312-F314 PolarHBondContact O-N 3.46Å
313F26.9Very low30.4Very low194 Ų194149.2 Ų149.285%0.85183%0.826SS**PPolyproline II helixtrans-65.4121.2171.2-84.1-94.6000109.3P311 R315P311-F313 PolarHBondContact O-N 3.13Å; P311-F313 VanDerWaalsContact O-N 3.13Å; F313-R315 PolarHBondContact O-N 3.33Å
314F30.1Very low30.8Very low201 Ų201150.2 Ų150.288%0.88282%0.824SS**PPolyproline II helixtrans-56.9131.8166-90.7-98.2000109.8L312 R316L312-F314 PolarHBondContact O-N 3.46Å; F314-R316 PolarHBondContact O-N 3.21Å
315R28.1Very low30.3Very low245 Ų245150.2 Ų150.293%0.92582%0.818SS**PPolyproline II helixtrans-52.5123.8173.2-82.8-178.8165.3-169.5-4110F313F313-R315 PolarHBondContact O-N 3.33Å
316R32.1Very low30.1Very low231 Ų231148.6 Ų148.687%0.87282%0.815SS**PPolyproline II helixtrans-78140.5156.6-71.3-178.1176.1176.7-1.3108.7F314F314-R316 PolarHBondContact O-N 3.21Å
317P31.9Very low30.1Very low111 Ų111149.8 Ų149.872%0.72181%0.813SS**PPolyproline II helixtrans-67.6157.6168.929.8-33.7000110.8
318P33.3Very low30.1Very low128 Ų128149.1 Ų149.183%0.83181%0.811SS**PPolyproline II helixtrans-71.3139.5-170.828.6-35000112.8
319V31.8Very low30Very low142 Ų142152.1 Ų152.186%0.86182%0.815SS**PPolyproline II helixtrans-79.7132169.1175.70000108.8
320S27Very low30.7Very low112 Ų112149.3 Ų149.378%0.78381%0.807SS**PPolyproline II helixtrans-67.3147.5177.7-167.90000111.9
321R28.2Very low30.5Very low237 Ų237145.6 Ų145.689%0.89480%0.803SS**PPolyproline II helixtrans-99.2116-173.3-172.5-172.9-163.7-179.94.9109.5
322S28.8Very low30.1Very low113 Ų113146.4 Ų146.479%0.7981%0.806SS**  trans-142.1125.5163.249.30000111.1
323V31.4Very low30.1Very low115 Ų115144.9 Ų144.970%0.69780%0.804SS**  trans-140.6134.7174.5179.90000105.6
324P34.2Very low30.1Very low123 Ų123139.9 Ų139.980%0.79979%0.793SS**  -127137.5114.516.51.5000109.9
325S27.8Very low29.9Very low102 Ų102137 Ų13771%0.71379%0.792SS**  cis74.56748.5-58.30000114.5
326V27.3Very low29.8Very low138 Ų138128.1 Ų128.184%0.83678%0.777SS**  trans-154.2142.7155.11800000107.1
327T26.4Very low29.6Very low121 Ų121124.5 Ų124.574%0.74277%0.774SS**  cis-159144.4-36.5-82.50000105.8
328S30.4Very low29.4Very low112 Ų112127.4 Ų127.478%0.78378%0.778SS**  trans-103.1133.1177.957.40000113.1
329V27.1Very low29.2Very low131 Ų131130.5 Ų130.579%0.79478%0.779SS**  trans-140.7133.3161-176.70000109.4
330P49.4Very low29.5Very low119 Ų119130 Ų13077%0.77378%0.779SS**  trans-113.3149.617738.9-30.2000114.5
331S24.5Very low29.7Very low103 Ų103128.9 Ų128.972%0.7278%0.776SS**  trans-178.7125.615838.30000108.1
332T27Very low29.6Very low125 Ų125123.7 Ų123.777%0.76778%0.776SS**  80.4128.855.7610000116
333T27.7Very low29.7Very low140 Ų140121.9 Ų121.986%0.85978%0.776SS**  trans67.6151.1166.423.30000117
334S27Very low29.8Very low88 Ų88121 Ų12162%0.61578%0.781SS**  cis-163.7154.21178.70000110.3
335T27.1Very low30Very low140 Ų140120.8 Ų120.886%0.85978%0.779SS**  trans53.2154.915440.50000119.7
336G25.1Very low30.4Very low59 Ų59122.6 Ų122.661%0.60879%0.786SS**  cis159.6170.31.200000109.5
337L27.9Very low30.6Very low156 Ų156120.9 Ų120.982%0.81779%0.786SS**  trans72.2147174.3-50.9170.9000116.5
338Q27Very low31.1Very low171 Ų171118.3 Ų118.380%0.79978%0.784SS**  cis-163.2168.2-31.2-124.5170.111.300109.1
339F30.4Very low31.7Very low193 Ų193119.1 Ų119.185%0.84679%0.786SS**  trans-69.6172.8173.9-72.3-95.1000112.5
340P37.5Very low32.4Very low133 Ų133118.9 Ų118.986%0.86479%0.788SS**  -129.9164.593.837.5-30.5000114.2
341A30.5Very low31.6Very low87 Ų87118 Ų11872%0.71979%0.79SS**  trans-124.6147.9-177.900000111.7
342S27.8Very low31.9Very low128 Ų128119.5 Ų119.590%0.89580%0.799SS**  trans180146.4152.750.80000108
343G29.7Very low32Very low76 Ų76118.1 Ų118.178%0.78480%0.8SS**  cis-165.2158-11.500000108.8
344A33.4Very low32.4Very low97 Ų97120.3 Ų120.380%0.80280%0.801SS**  trans-78.9158.5173.200000110.8
345P39.7Very low32.8Very low118 Ų118122 Ų12277%0.76681%0.81SS**  -143.8143.591.536.1-20.2000116.9
346T34.8Very low32.9Very low140 Ų140121.5 Ų121.586%0.85981%0.807SS**  trans13.6114.4139.4-33.10000120.6
347A32.9Very low33.3Very low101 Ų101124.9 Ų124.984%0.83582%0.818SS**  trans-158.3146.7144.600000110.3
348G35.4Very low33.5Very low68 Ų68125.3 Ų125.370%0.70182%0.82SS**PPolyproline II helixtrans-81.7173.3-174.900000115.3
349P43.4Very low33.7Very low128 Ų128126.5 Ų126.583%0.83183%0.826SS**PPolyproline II helixtrans-77.9137.6-177.931.8-34.1000112.1
350P41.9Very low33.7Very low127 Ų127126 Ų12683%0.82583%0.826SS**PPolyproline II helixtrans-76.5141.1171.431.1-32.8000111.4
351A33.7Very low33.5Very low100 Ų100125.7 Ų125.783%0.82683%0.827SS**PPolyproline II helixtrans-76.2164.3177.300000112.8
352C30.2Very low33.6Very low134 Ų134125.9 Ų125.991%0.90583%0.829SS**PPolyproline II helixtrans-59.8134.2-178.3-550000113.2
353A29.6Very low33.9Very low96 Ų96123.1 Ų123.179%0.79382%0.82SS**PPolyproline II helixtrans-86139.816500000110.9
354Q35.7Very low34.2Very low187 Ų187124.1 Ų124.187%0.87482%0.821SS**PPolyproline II helixtrans-71147171.1-76.3-176.5-106.300111.7
355P35.8Very low34.9Very low122 Ų122127.9 Ų127.979%0.79283%0.827SS**PPolyproline II helixtrans-80137.9159.76.610.4000111.3
356T29.3Very low35.1Very low131 Ų131131.3 Ų131.380%0.80483%0.83SS**PPolyproline II helixtrans-73.8157.4163.936.50000111.5
357P31.8Very low36.1Very low129 Ų129129.1 Ų129.184%0.83882%0.818SS**PPolyproline II helixtrans-80.1132.8-171.2-6.824.7000112.1
358L32.2Very low37.6Very low166 Ų166128.7 Ų128.787%0.86980%0.802SS**PPolyproline II helixtrans-84.2128.4161.9-97.6153000109.2Q360L358-Q360 PolarHBondContact O-N 3.12Å
359E31.1Very low39.2Very low196 Ų196130.4 Ų130.492%0.91680%0.799SS**PPolyproline II helixtrans-59.9121.1173.1-71.5-179.9106.700110.8
360Q31.2Very low40.4Very low181 Ų181130 Ų13085%0.84679%0.789SS**  trans-103.2112.2166.5-74.3-175.4-11.600109.3L358 A362L358-Q360 PolarHBondContact O-N 3.12Å; Q360-A362 VanDerWaalsContact C-N 3.3Å; Q360-A362 PolarHBondContact O-N 2.72Å
361S33.9Very low41.9Very low127 Ų127128.6 Ų128.689%0.88877%0.774SS**  trans-65.490.2165.9179.10000109.6G363S361-G363 PolarHBondContact O-N 2.7Å; S361-G363 VanDerWaalsContact O-N 3.1Å
362A31.3Very low43.5Very low92 Ų92128.4 Ų128.476%0.7676%0.759SS**  trans-79.885.817700000110.5Q360 A364Q360-A362 VanDerWaalsContact C-N 3.3Å; Q360-A362 PolarHBondContact O-N 2.72Å; A362-A364 PolarHBondContact O-N 3.41Å
363G35.4Very low45.6Very low69 Ų69126.4 Ų126.471%0.71174%0.739SS**  trans-63.797.3167.100000110.8S361 L365S361-G363 PolarHBondContact O-N 2.7Å; S361-G363 VanDerWaalsContact O-N 3.1Å; G363-L365 PolarHBondContact O-N 3.04Å
364A35.2Very low47.9Very low97 Ų97130.7 Ų130.780%0.80273%0.734SS**  trans-76.185.8-172.500000113.1A362 K366A362-A364 PolarHBondContact O-N 3.41Å; A364-K366 PolarHBondContact O-N 3.03Å; A364-K366 VanDerWaalsContact O-N 3.16Å
365L47.3Very low50.1Low177 Ų177127 Ų12793%0.92772%0.717SS**  trans-79.983.7161.3-87.3156.5000109.8G363G363-L365 PolarHBondContact O-N 3.04Å
366K45.8Very low51.9Low189 Ų189127.4 Ų127.482%0.82271%0.71SS**  trans-90.9120.8170.3-155.8174.8-171.5-179.60108A364 D368A364-K366 PolarHBondContact O-N 3.03Å; A364-K366 VanDerWaalsContact O-N 3.16Å; K366-D368 PolarHBondContact O-N 3.4Å
367P55.3Low54.4Low95 Ų95127.1 Ų127.162%0.61770%0.699SS**  trans-66.9128.9177.327.5-32.7000109.1V369P367-V369 PolarHBondContact O-N 3.15Å; P367-V369 VanDerWaalsContact O-N 3.08Å
368D64.1Low57Low91 Ų91126.5 Ų126.549%0.48769%0.688SS.*  trans-71.8103.1178.3-173.3-4.6000109.6K366 D370 L371 L372K366-D368 PolarHBondContact O-N 3.4Å; D368-D370 PolarHBondContact O-N 3.38Å; D368-D370 WeakPolarHBondContact OD1-CB 3.47Å; D368-D370 PolarHBondContact OD1-N 3.23Å; D368-L371 HydrophobicContact CB-CB 3.87Å; D368-L371 PolarHBondContact O-N 3.06Å; D368-L371 PolarHBondContact OD1-N 3.02Å; D368-L372 PolarHBondContact O-N 3.49Å
369V70Confident59.3Low105 Ų105123.9 Ų123.964%0.63668%0.675SS**Hα-helixtrans-66.6-29.2-178.8178.90000110.7P367 L373P367-V369 PolarHBondContact O-N 3.15Å; P367-V369 VanDerWaalsContact O-N 3.08Å; V369-L373 VanDerWaalsContact O-CB 3.32Å; V369-L373 WeakPolarHBondContact O-CB 3.35Å; V369-L373 PolarHBondContact O-N 3.44Å
370D66.9Low61.6Low119 Ų119122.3 Ų122.364%0.63667%0.665SS**Hα-helixtrans-73.9-33.3178.7-64.7-45.1000111.2D368 R374D368-D370 PolarHBondContact O-N 3.38Å; D368-D370 WeakPolarHBondContact OD1-CB 3.47Å; D368-D370 PolarHBondContact OD1-N 3.23Å; D370-R374 WeakPolarHBondContact O-CB 3.32Å; D370-R374 PolarHBondContact O-N 3.37Å
371L74.6Confident64.1Low98 Ų98115.5 Ų115.551%0.51364%0.643SS.*Hα-helixtrans-64-49.4171.3-174.266.3000111.4D368 L373 R374 E375D368-L371 HydrophobicContact CB-CB 3.87Å; D368-L371 PolarHBondContact O-N 3.06Å; D368-L371 PolarHBondContact OD1-N 3.02Å; L371-L373 PolarHBondContact O-N 2.99Å; L371-R374 WeakPolarHBondContact O-CB 3.33Å; L371-R374 PolarHBondContact O-N 2.97Å; L371-R374 VanDerWaalsContact O-N 3.15Å; L371-E375 PolarHBondContact O-N 3.32Å
372L67.4Low66.4Low96 Ų96114 Ų11450%0.50362%0.624SS.*Hα-helixtrans-60.2-42.3176.1-90.3163.9000112.4D368 R374 E375 M376D368-L372 PolarHBondContact O-N 3.49Å; L372-R374 VanDerWaalsContact C-N 3.27Å; L372-R374 PolarHBondContact O-N 3.38Å; L372-E375 PolarHBondContact O-N 3.36Å; L372-M376 WeakPolarHBondContact O-CG 3.41Å; L372-M376 PolarHBondContact O-N 2.93Å
373L72.8Confident68.3Low91 Ų91115.1 Ų115.148%0.47662%0.617SS.*Hα-helixtrans-62.3-37.5176.8-176.662.1000111.4V369 L371 M376 Q377V369-L373 VanDerWaalsContact O-CB 3.32Å; V369-L373 WeakPolarHBondContact O-CB 3.35Å; V369-L373 PolarHBondContact O-N 3.44Å; L371-L373 PolarHBondContact O-N 2.99Å; L373-M376 PolarHBondContact O-N 3.39Å; L373-Q377 WeakPolarHBondContact O-CG 3.37Å; L373-Q377 PolarHBondContact O-N 3.18Å
374R79Confident70.1Confident186 Ų186115 Ų11570%0.70261%0.605SS**Hα-helixtrans-69.5-41.5178-160.3168.6-168.2165.82.7112.5D370 L371 L372 Q377 L378D370-R374 WeakPolarHBondContact O-CB 3.32Å; D370-R374 PolarHBondContact O-N 3.37Å; L371-R374 WeakPolarHBondContact O-CB 3.33Å; L371-R374 PolarHBondContact O-N 2.97Å; L371-R374 VanDerWaalsContact O-N 3.15Å; L372-R374 VanDerWaalsContact C-N 3.27Å; L372-R374 PolarHBondContact O-N 3.38Å; R374-Q377 PolarHBondContact O-N 3.1Å; R374-L378 PolarHBondContact O-N 3.37Å; R374-L378 VanDerWaalsContact O-N 3.1Å
375E81.4Confident71.9Confident111 Ų111119.1 Ų119.152%0.51960%0.599SS.*Hα-helixtrans-62-43.7172.6-71-175.3165.300111.9L371 L372 Q377 L378 L379L371-E375 PolarHBondContact O-N 3.32Å; L372-E375 PolarHBondContact O-N 3.36Å; E375-Q377 VanDerWaalsContact C-N 3.34Å; E375-Q377 PolarHBondContact O-N 3.2Å; E375-L378 WeakPolarHBondContact O-CB 3.46Å; E375-L378 PolarHBondContact O-N 3.42Å; E375-L379 PolarHBondContact O-N 3.02Å
376M74.3Confident73.1Confident129 Ų129114.3 Ų114.364%0.63558%0.577SS**Hα-helixtrans-62.6-37.4176.7-73.9-170.97300113L372 L373 K380L372-M376 WeakPolarHBondContact O-CG 3.41Å; L372-M376 PolarHBondContact O-N 2.93Å; L373-M376 PolarHBondContact O-N 3.39Å; M376-K380 WeakPolarHBondContact O-CB 3.42Å; M376-K380 PolarHBondContact O-N 2.69Å
377Q81.9Confident74.4Confident125 Ų125109.5 Ų109.558%0.58456%0.564SS**Hα-helixtrans-66.3-39.7174.5-73.7175.710.200111.9L373 R374 E375 K380 G381L373-Q377 WeakPolarHBondContact O-CG 3.37Å; L373-Q377 PolarHBondContact O-N 3.18Å; R374-Q377 PolarHBondContact O-N 3.1Å; E375-Q377 VanDerWaalsContact C-N 3.34Å; E375-Q377 PolarHBondContact O-N 3.2Å; Q377-K380 PolarHBondContact O-N 3.42Å; Q377-G381 PolarHBondContact O-N 2.94Å
378L86.3Confident74.9Confident116 Ų116110.2 Ų110.261%0.60756%0.562SS**Hα-helixtrans-63.4-47.4176.4-124.8160.7000111.5R374 E375 K380 G381 I382R374-L378 PolarHBondContact O-N 3.37Å; R374-L378 VanDerWaalsContact O-N 3.1Å; E375-L378 WeakPolarHBondContact O-CB 3.46Å; E375-L378 PolarHBondContact O-N 3.42Å; L378-K380 VanDerWaalsContact C-N 3.34Å; L378-K380 PolarHBondContact O-N 3.35Å; L378-G381 PolarHBondContact O-N 3.02Å; L378-I382 HydrophobicContact CD2-CD1 4.15Å; L378-I382 WeakPolarHBondContact O-CG1 3.45Å; L378-I382 PolarHBondContact O-N 3.19Å
379L79.3Confident74.6Confident112 Ų112112.4 Ų112.459%0.58657%0.569SS**Hα-helixtrans-58-43.1173.8-100.4162.1000112.3E375 G381 I382 L383E375-L379 PolarHBondContact O-N 3.02Å; L379-G381 VanDerWaalsContact C-N 3.34Å; L379-G381 PolarHBondContact O-N 3.01Å; L379-I382 PolarHBondContact O-N 3.46Å; L379-L383 WeakPolarHBondContact O-CB 3.44Å; L379-L383 PolarHBondContact O-N 3.23Å
380K79.5Confident73.9Confident163 Ų163114.3 Ų114.371%0.70958%0.575SS**Hα-helixtrans-62.6-39.3176.8-170.3179.5-179.3-176.90112.2M376 Q377 L378 S384M376-K380 WeakPolarHBondContact O-CB 3.42Å; M376-K380 PolarHBondContact O-N 2.69Å; Q377-K380 PolarHBondContact O-N 3.42Å; L378-K380 VanDerWaalsContact C-N 3.34Å; L378-K380 PolarHBondContact O-N 3.35Å; K380-S384 PolarHBondContact O-N 3.41Å
381G83.9Confident73.2Confident37 Ų37116.4 Ų116.438%0.38158%0.578SS.*Hα-helixtrans-62.6-49.6174.300000112.2Q377 L378 L379 L383 S384 R385Q377-G381 PolarHBondContact O-N 2.94Å; L378-G381 PolarHBondContact O-N 3.02Å; L379-G381 VanDerWaalsContact C-N 3.34Å; L379-G381 PolarHBondContact O-N 3.01Å; G381-L383 VanDerWaalsContact C-N 3.34Å; G381-L383 PolarHBondContact O-N 2.92Å; G381-S384 PolarHBondContact O-N 3.39Å; G381-S384 PolarHBondContact O-OG 2.9Å; G381-R385 PolarHBondContact O-N 3.27Å; G381-R385 VanDerWaalsContact O-N 3.13Å
382I82.1Confident71.9Confident97 Ų97119 Ų11950%0.49759%0.588SS.*Hα-helixtrans-58.5-46.5176.8-64.1164.1000110.7L378 L379 S384 R385 V386L378-I382 HydrophobicContact CD2-CD1 4.15Å; L378-I382 WeakPolarHBondContact O-CG1 3.45Å; L378-I382 PolarHBondContact O-N 3.19Å; L379-I382 PolarHBondContact O-N 3.46Å; I382-S384 VanDerWaalsContact C-N 3.34Å; I382-S384 PolarHBondContact O-N 2.99Å; I382-R385 PolarHBondContact O-N 3.48Å; I382-R385 VanDerWaalsContact O-N 3.12Å; I382-V386 PolarHBondContact O-N 3.4Å
383L71.7Confident70.6Confident115 Ų115120.5 Ų120.560%0.60260%0.603SS**Hα-helixtrans-61.2-41.1179.1-142.483.9000112L379 G381 R385 V386 V387L379-L383 WeakPolarHBondContact O-CB 3.44Å; L379-L383 PolarHBondContact O-N 3.23Å; G381-L383 VanDerWaalsContact C-N 3.34Å; G381-L383 PolarHBondContact O-N 2.92Å; L383-R385 VanDerWaalsContact C-N 3.28Å; L383-R385 PolarHBondContact O-N 3.42Å; L383-V386 PolarHBondContact O-N 3.36Å; L383-V387 WeakPolarHBondContact O-CB 3.45Å; L383-V387 VanDerWaalsContact O-CG2 3.26Å; L383-V387 WeakPolarHBondContact O-CG2 3.41Å; L383-V387 PolarHBondContact O-N 2.96Å
384S73.8Confident69.1Low65 Ų65124.8 Ų124.846%0.45562%0.621SS.*Hα-helixtrans-62.6-34.4176710000112.8K380 G381 I382 L388K380-S384 PolarHBondContact O-N 3.41Å; G381-S384 PolarHBondContact O-N 3.39Å; G381-S384 PolarHBondContact O-OG 2.9Å; I382-S384 VanDerWaalsContact C-N 3.34Å; I382-S384 PolarHBondContact O-N 2.99Å; S384-L388 WeakPolarHBondContact O-CG 3.44Å; S384-L388 PolarHBondContact O-N 3.12Å; S384-L388 VanDerWaalsContact O-N 3.12Å
385R72.9Confident67Low184 Ų184120.3 Ų120.369%0.69462%0.623SS**Hα-helixtrans-70.6-46.7177.9-147.7176.4-156.5-174.75.8111.1G381 I382 L383 V387 L388 E389G381-R385 PolarHBondContact O-N 3.27Å; G381-R385 VanDerWaalsContact O-N 3.13Å; I382-R385 PolarHBondContact O-N 3.48Å; I382-R385 VanDerWaalsContact O-N 3.12Å; L383-R385 VanDerWaalsContact C-N 3.28Å; L383-R385 PolarHBondContact O-N 3.42Å; R385-V387 VanDerWaalsContact C-N 3.28Å; R385-V387 PolarHBondContact O-N 3.05Å; R385-L388 PolarHBondContact O-N 3.48Å; R385-L388 VanDerWaalsContact O-N 3.07Å; R385-E389 WeakPolarHBondContact O-CG 3.26Å; R385-E389 PolarHBondContact O-N 3.12Å
386V72.8Confident64.7Low76 Ų76123 Ų12346%0.46164%0.641SS.*Hα-helixtrans-60.7-37.2175176.30000111.8I382 L383 L388 L390I382-V386 PolarHBondContact O-N 3.4Å; L383-V386 PolarHBondContact O-N 3.36Å; V386-L388 VanDerWaalsContact C-N 3.32Å; V386-L388 PolarHBondContact O-N 3.07Å; V386-L390 HydrophobicContact CG1-CD1 3.95Å; V386-L390 WeakPolarHBondContact O-CB 3.43Å; V386-L390 WeakPolarHBondContact O-CG 3.36Å; V386-L390 PolarHBondContact O-N 3.13Å
387V72.1Confident62.8Low88 Ų88122.1 Ų122.153%0.53364%0.644SS.*Hα-helixtrans-69.4-27.2175.9168.70000112.7L383 R385 K391L383-V387 WeakPolarHBondContact O-CB 3.45Å; L383-V387 VanDerWaalsContact O-CG2 3.26Å; L383-V387 WeakPolarHBondContact O-CG2 3.41Å; L383-V387 PolarHBondContact O-N 2.96Å; R385-V387 VanDerWaalsContact C-N 3.28Å; R385-V387 PolarHBondContact O-N 3.05Å; V387-K391 WeakPolarHBondContact O-CB 3.32Å
388L65.4Low60.5Low110 Ų110125.1 Ų125.158%0.57666%0.658SS**Hα-helixtrans-77.2-45.8172.5-72.4167.5000111.5S384 R385 V386 L390 K391 E392S384-L388 WeakPolarHBondContact O-CG 3.44Å; S384-L388 PolarHBondContact O-N 3.12Å; S384-L388 VanDerWaalsContact O-N 3.12Å; R385-L388 PolarHBondContact O-N 3.48Å; R385-L388 VanDerWaalsContact O-N 3.07Å; V386-L388 VanDerWaalsContact C-N 3.32Å; V386-L388 PolarHBondContact O-N 3.07Å; L388-L390 PolarHBondContact O-N 3.36Å; L388-K391 WeakPolarHBondContact O-CB 3.39Å; L388-K391 PolarHBondContact O-N 3.01Å; L388-E392 PolarHBondContact O-N 2.96Å
389E58Low57.9Low137 Ų137127.8 Ų127.864%0.6467%0.672SS**Hα-helixtrans-58.9-33175-63.5-72.516300112.4R385 K391R385-E389 WeakPolarHBondContact O-CG 3.26Å; R385-E389 PolarHBondContact O-N 3.12Å; E389-K391 VanDerWaalsContact C-N 3.29Å; E389-K391 PolarHBondContact O-N 3.48Å
390L56.3Low55.7Low146 Ų146134.1 Ų134.176%0.76469%0.689SS**THydrogen-bonded Turntrans-78.9-6.2174.1-74.2170.1000114.4V386 L388V386-L390 HydrophobicContact CG1-CD1 3.95Å; V386-L390 WeakPolarHBondContact O-CB 3.43Å; V386-L390 WeakPolarHBondContact O-CG 3.36Å; V386-L390 PolarHBondContact O-N 3.13Å; L388-L390 PolarHBondContact O-N 3.36Å
391K52.6Low53.3Low162 Ų162129.5 Ų129.570%0.70469%0.687SS**THydrogen-bonded Turntrans-102.4-14.7-175.8-168165.4-178.8-179.20113.7V387 L388 E389 P393V387-K391 WeakPolarHBondContact O-CB 3.32Å; L388-K391 WeakPolarHBondContact O-CB 3.39Å; L388-K391 PolarHBondContact O-N 3.01Å; E389-K391 VanDerWaalsContact C-N 3.29Å; E389-K391 PolarHBondContact O-N 3.48Å; K391-P393 WeakPolarHBondContact O-CD 3.36Å
392E45.7Very low50.8Low154 Ų154134.4 Ų134.472%0.7271%0.71SS**SBendtrans-111.997176.1-72.3179.114800110.3L388 Q394L388-E392 PolarHBondContact O-N 2.96Å; E392-Q394 PolarHBondContact O-N 3.09Å; E392-Q394 VanDerWaalsContact O-N 3.09Å
393P41Very low48.6Very low126 Ų126135.7 Ų135.782%0.81873%0.725SS**  trans-68.5109.2173.428.2-32.2000109.1K391 A395K391-P393 WeakPolarHBondContact O-CD 3.36Å; P393-A395 PolarHBondContact O-N 3.21Å
394Q40.8Very low46.6Very low181 Ų181139.2 Ų139.285%0.84674%0.738SS**PPolyproline II helixtrans-60.5123.6175.2-70.6-160.7-1.400110.4E392E392-Q394 PolarHBondContact O-N 3.09Å; E392-Q394 VanDerWaalsContact O-N 3.09Å
395A35.1Very low44.5Very low92 Ų92142.4 Ų142.476%0.7676%0.755SS**PPolyproline II helixtrans-68.3130.1173.100000110P393 P397P393-A395 PolarHBondContact O-N 3.21Å; A395-P397 WeakPolarHBondContact O-CD 3.43Å
396L33.2Very low42.6Very low168 Ų168139.8 Ų139.888%0.8876%0.762SS**PPolyproline II helixtrans-60128.5170.2-87120.3000110.6
397P34.2Very low40.4Very low110 Ų110141.9 Ų141.971%0.71478%0.775SS**PPolyproline II helixtrans-74.7130.5160.9-10.427.6000109.7A395 L399A395-P397 WeakPolarHBondContact O-CD 3.43Å; P397-L399 PolarHBondContact O-N 3.32Å
398E33.9Very low38.4Very low188 Ų188142.8 Ų142.888%0.87979%0.785SS**PPolyproline II helixtrans-63.4123.2168.1-69.7-166.8150.200110.3
399L31.9Very low36.7Very low172 Ų172144.1 Ų144.190%0.90179%0.788SS**  trans-101.593.9168.3-144.779.9000110.2P397 G401P397-L399 PolarHBondContact O-N 3.32Å; L399-G401 PolarHBondContact O-N 3.22Å
400R33.4Very low35.3Very low246 Ų246147 Ų14793%0.92880%0.799SS**  trans-68.3108.3168.7176.4-175.4-77.4-152.3-3.5109.1
401G29.6Very low34Very low66 Ų66143.9 Ų143.968%0.6879%0.794SS**  trans-152.1109.4174.700000111.8L399L399-G401 PolarHBondContact O-N 3.22Å
402T31.1Very low32.9Very low139 Ų139142.8 Ų142.885%0.85380%0.801SS**PPolyproline II helixtrans-70.3133.4174.135.20000111.6
403P36.2Very low32Very low125 Ų125141.1 Ų141.181%0.81281%0.806SS**PPolyproline II helixtrans-90.4126.8169.633.3-29.5000111.1
404E29.9Very low31.6Very low189 Ų189143.3 Ų143.388%0.88381%0.81SS**PPolyproline II helixtrans-87.3140.3160.9-69.8-157.6155.500110.7
405T29Very low31Very low131 Ų131138.5 Ų138.580%0.80481%0.808SS**PPolyproline II helixtrans-67.9153.8172.334.30000112.7
406P31.7Very low30.8Very low129 Ų129140.6 Ų140.684%0.83881%0.812SS**  -128.6157.2120.435.3-28.4000114.6
407T27.6Very low31.5Very low120 Ų120138 Ų13874%0.73681%0.806SS**  trans-89.3142.6-165.2-300000114
408S29.3Very low31.3Very low107 Ų107142 Ų14275%0.74882%0.815SS**  trans-164.5105.5149.5-174.30000108.1
409H30.5Very low31.2Very low138 Ų138138.6 Ų138.664%0.63981%0.807SS**  50.3121.586.5-69.4-74.6000112.3
410F28.3Very low31.2Very low198 Ų198136.5 Ų136.587%0.86880%0.801SS**  cis-147.4177.919.5-115.5-80000112.7
411A29.1Very low32Very low80 Ų80129.8 Ų129.866%0.66179%0.789SS**  trans-107.5152.8-17200000114.7
412V28.5Very low32.2Very low140 Ų140132.8 Ų132.885%0.84879%0.794SS**  trans60121.4142.4173.30000119.3
413S28.1Very low32.4Very low118 Ų118134 Ų13483%0.82579%0.79SS**  -160154.3109.5-153.40000114
414L32.8Very low32.8Very low173 Ų173137.4 Ų137.491%0.90682%0.817SS**  trans-84.4146.6174.5-132.477.4000110
415G27.1Very low32.9Very low79 Ų79134.8 Ų134.881%0.81481%0.814SS**  trans-175.886.9177.500000114.9
416T30.9Very low33.1Very low137 Ų137135 Ų13584%0.8481%0.814SS**  trans-112.7165.7159.144.50000108.8
417P49.4Very low33.2Very low114 Ų114135.3 Ų135.374%0.7481%0.813SS**  cis-127.7174.5-23.737.2-22.7000111.8
418E28.8Very low33.5Very low194 Ų194136.2 Ų136.291%0.90782%0.818SS**  trans-161.4174.7142.6-123.2171.3-167.100113.6
419T33.2Very low33.8Very low115 Ų115138.1 Ų138.171%0.70682%0.822SS**  trans-133.9141.5-148.6-14.70000113.2
420T31.2Very low34Very low128 Ų128138.1 Ų138.179%0.78583%0.834SS**  trans66172.1161.373.70000117.1
421P49.6Very low34.4Very low105 Ų105133.8 Ų133.868%0.68283%0.832SS**  cis-132.6-179.5-6.534-13.9000115.5
422V33.1Very low34.8Very low130 Ų130137.9 Ų137.979%0.78885%0.845SS**  trans68.3147.2143.7151.70000118.1
423E36.5Very low35.4Very low163 Ų163137.8 Ų137.876%0.76284%0.844SS**  cis-175143.8-17.1177.6175.1179.300107.9
424S43.7Very low36Very low197 Ų197139.5 Ų139.5100%1.37885%0.846SS**  trans-178.70154.2-770000110

Retrieved 424 of 424 residues in 144.6 ms (Link to these results)