A0A096LP62_HUMAN Loading...

Inter-alpha-trypsin inhibitor heavy chain 5

AlphaFold DB , UniProt , Accession A0A096LP62, Species HUMAN (Homo sapiens, Human), Gene ITIH5, Length 728 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
1M30.6Very low56.6Low246 Ų246126 Ų126100%1.21268%0.683SS**  098.70-81.2171.616700108.9
2R34.3Very low59.2Low223 Ų223117.5 Ų117.584%0.84264%0.638SS**  trans-87.1120.5164-76.1-175.4-176.1-177.92.5106.6Y4R2-Y4 WeakPolarHBondContact O-CD2 3.45Å; R2-Y4 PolarHBondContact O-N 3.1Å
3N30Very low61.5Low152 Ų152114.5 Ų114.581%0.81363%0.625SS**  trans-56.8108.7172.6-83.6-15.5000108.6D5N3-D5 VanDerWaalsContact C-N 3.25Å; N3-D5 PolarHBondContact O-N 3.32Å
4Y41.7Very low63.5Low167 Ų167112.1 Ų112.166%0.65561%0.61SS**  trans-85.25.8177.9-94.1-75.9000113.3R2 R47R2-Y4 WeakPolarHBondContact O-CD2 3.45Å; R2-Y4 PolarHBondContact O-N 3.1Å; Y4-R47 PolarHBondContact OH-NH1 2.93Å; Y4-R47 PolarHBondContact OH-NH2 3.03Å; Y4-R47 VanDerWaalsContact OH-NH2 3.1Å
5D42.4Very low65.1Low166 Ų166110.7 Ų110.789%0.88860%0.602SS**  trans-10219.3-175.5-81.3-24.4000114.9N3 G7N3-D5 VanDerWaalsContact C-N 3.25Å; N3-D5 PolarHBondContact O-N 3.32Å; D5-G7 PolarHBondContact O-N 2.93Å
6S58.4Low66.6Low102 Ų102113.8 Ų113.871%0.71361%0.611SS**  trans-80.4115.3163.456.70000108.4
7G69Low67.8Low58 Ų58112.6 Ų112.660%0.59861%0.605SS**  trans-53.3176.6172.800000113.4D5D5-G7 PolarHBondContact O-N 2.93Å
8P79.1Confident68.7Low82 Ų82117.4 Ų117.453%0.53262%0.623SS.*SBendtrans-56.5149.5-173.426.4-35.7000111.5T12 I14P8-T12 HydrophobicContact CB-CG2 4.15Å; P8-I14 HydrophobicContact CB-CD1 4.27Å; P8-I14 HydrophobicContact CG-CD1 4.49Å
9P78.6Confident69.5Low61 Ų61118.5 Ų118.540%0.39664%0.635SS.*PPolyproline II helixtrans-51.7145.5179.6-26.333.5000111.9S11 T12 F25 F44P9-S11 PolarHBondContact O-N 3.14Å; P9-T12 WeakPolarHBondContact O-CB 3.23Å; P9-T12 PolarHBondContact O-N 2.98Å; P9-T12 VanDerWaalsContact O-N 3.09Å; P9-T12 PolarHBondContact O-OG1 2.82Å; P9-F25 HydrophobicContact CB-CE2 4.06Å; P9-F44 HydrophobicContact CG-CE2 4.45Å
10P77.1Confident70.4Confident86 Ų86118.3 Ų118.356%0.55863%0.628SS**THydrogen-bonded Turntrans-51.3140.2177-24.932.8000111.7T12P10-T12 VanDerWaalsContact C-N 3.31Å
11S81.9Confident71.4Confident43 Ų43115.6 Ų115.630%0.30162%0.623SS.*THydrogen-bonded Turntrans70.418.4-174.2-54.10000116.3P9 K26 Q31P9-S11 PolarHBondContact O-N 3.14Å; S11-K26 PolarHBondContact O-N 2.89Å; S11-Q31 PolarHBondContact OG-NE2 2.93Å; S11-Q31 PolarHBondContact OG-OE1 2.95Å
12T87.4Confident74.2Confident24 Ų24106.9 Ų106.915%0.14758%0.581CS.*EExtended strand (participates in β ladder)trans-90.2125.5167-51.40000109.6P8 P9 P10 I14 I23 I24 F25P8-T12 HydrophobicContact CB-CG2 4.15Å; P9-T12 WeakPolarHBondContact O-CB 3.23Å; P9-T12 PolarHBondContact O-N 2.98Å; P9-T12 VanDerWaalsContact O-N 3.09Å; P9-T12 PolarHBondContact O-OG1 2.82Å; P10-T12 VanDerWaalsContact C-N 3.31Å; T12-I14 HydrophobicContact CG2-CD1 4.44Å; T12-I14 HydrophobicContact CG2-CG1 4Å; T12-I23 HydrophobicContact CG2-CG2 3.98Å; T12-I24 CarbonylContact C-O 3.52Å; T12-I24 WeakPolarHBondContact CA-O 3.29Å; T12-F25 WeakPolarHBondContact OG1-CD2 3.17Å
13V89.1Confident77Confident78 Ų7899 Ų9947%0.47355%0.554SS.*EExtended strand (participates in β ladder)trans-111.1124.7171.3-179.10000108I24V13-I24 HydrophobicContact CB-CB 4.46Å; V13-I24 PolarHBondContact N-O 3.06Å; V13-I24 PolarHBondContact O-N 3.35Å
14I89.4Confident79.8Confident81 Ų8194.2 Ų94.242%0.41553%0.528SS..EExtended strand (participates in β ladder)trans-115115178.8-54179.3000107.8P8 T12 I23P8-I14 HydrophobicContact CB-CD1 4.27Å; P8-I14 HydrophobicContact CG-CD1 4.49Å; T12-I14 HydrophobicContact CG2-CD1 4.44Å; T12-I14 HydrophobicContact CG2-CG1 4Å; I14-I23 HydrophobicContact CG1-CG1 4.36Å; I14-I23 HydrophobicContact CG2-CG1 4.22Å
15N88.2Confident82Confident91 Ų9188.7 Ų88.749%0.48751%0.508SS..EExtended strand (participates in β ladder)trans-112.4120.6173-66.7-39.4000108.4A21 N22N15-A21 CarbonylContact O-C 3.47Å; N15-A21 WeakPolarHBondContact O-CA 3.3Å; N15-N22 HydrophobicContact CB-CB 4.42Å; N15-N22 PolarHBondContact N-O 3.37Å; N15-N22 PolarHBondContact O-N 2.89Å
16Q88.4Confident84.2Confident160 Ų16088.3 Ų88.375%0.74850%0.499SS*.EExtended strand (participates in β ladder)trans-135.9146.2-17767.2-176.21100112.3F20 A21Q16-F20 CarbonylContact C-O 3.58Å; Q16-F20 WeakPolarHBondContact CA-O 3.23Å; Q16-A21 HydrophobicContact CB-CB 4.22Å
17N87.8Confident85.4Confident95 Ų9584.5 Ų84.551%0.50847%0.471SS..  trans-127.5-167.9164.670.826.6000109T19 F20N17-T19 VanDerWaalsContact C-N 3.3Å; N17-T19 PolarHBondContact O-N 3.25Å; N17-T19 PolarHBondContact OD1-N 3.32Å; N17-F20 PolarHBondContact N-O 3.13Å; N17-F20 WeakPolarHBondContact OD1-CA 3.45Å; N17-F20 VanDerWaalsContact OD1-CB 3.31Å; N17-F20 WeakPolarHBondContact OD1-CB 3.47Å; N17-F20 PolarHBondContact OD1-N 2.83Å; N17-F20 PolarHBondContact OD1-O 2.83Å
18E82.3Confident86.2Confident199 Ų19985.3 Ų85.393%0.9347%0.465SS*.SBendtrans-63-28.2-175.7-64.8-175.6172.400115
19T84.7Confident86.4Confident137 Ų13787 Ų8784%0.8447%0.474SS*.SBendtrans-127.4-2.8-173.356.80000114.1N17N17-T19 VanDerWaalsContact C-N 3.3Å; N17-T19 PolarHBondContact O-N 3.25Å; N17-T19 PolarHBondContact OD1-N 3.32Å
20F88Confident86.6Confident115 Ų11588.4 Ų88.450%0.50448%0.48SS..  trans-142.4133.7-173.3177.5-97.8000111Q16 N17 N22Q16-F20 CarbonylContact C-O 3.58Å; Q16-F20 WeakPolarHBondContact CA-O 3.23Å; N17-F20 PolarHBondContact N-O 3.13Å; N17-F20 WeakPolarHBondContact OD1-CA 3.45Å; N17-F20 VanDerWaalsContact OD1-CB 3.31Å; N17-F20 WeakPolarHBondContact OD1-CB 3.47Å; N17-F20 PolarHBondContact OD1-N 2.83Å; N17-F20 PolarHBondContact OD1-O 2.83Å; F20-N22 HydrophobicContact CE1-CB 3.66Å; F20-N22 HydrophobicContact CZ-CB 3.89Å
21A90Very high86.8Confident62 Ų6286.8 Ų86.851%0.51247%0.466SS..EExtended strand (participates in β ladder)trans-129133.7171.800000110N15 Q16N15-A21 CarbonylContact O-C 3.47Å; N15-A21 WeakPolarHBondContact O-CA 3.3Å; Q16-A21 HydrophobicContact CB-CB 4.22Å
22N91.3Very high86.6Confident62 Ų6288 Ų8833%0.33247%0.466SS..EExtended strand (participates in β ladder)trans-121.4114.7176-179.313.9000109.1N15 F20 I24N15-N22 HydrophobicContact CB-CB 4.42Å; N15-N22 PolarHBondContact N-O 3.37Å; N15-N22 PolarHBondContact O-N 2.89Å; F20-N22 HydrophobicContact CE1-CB 3.66Å; F20-N22 HydrophobicContact CZ-CB 3.89Å; N22-I24 WeakPolarHBondContact OD1-CG1 3.26Å
23I91.3Very high86.2Confident57 Ų5789.8 Ų89.829%0.29248%0.484SS..EExtended strand (participates in β ladder)trans-111.6116.3-178.7-61.3165.4000107.9T12 I14 F44 I46T12-I23 HydrophobicContact CG2-CG2 3.98Å; I14-I23 HydrophobicContact CG1-CG1 4.36Å; I14-I23 HydrophobicContact CG2-CG1 4.22Å; I23-F44 HydrophobicContact CG2-CE1 4.25Å; I23-F44 HydrophobicContact CG2-CZ 3.96Å; I23-I46 HydrophobicContact CD1-CB 4.41Å; I23-I46 HydrophobicContact CD1-CD1 4.01Å; I23-I46 HydrophobicContact CD1-CG1 4.09Å; I23-I46 HydrophobicContact CD1-CG2 3.46Å; I23-I46 VanDerWaalsContact CD1-CG2 3.46Å
24I90.4Very high85.6Confident52 Ų5296.1 Ų96.127%0.26750%0.499SS..EExtended strand (participates in β ladder)trans-115111.2-178.2-57175.4000108.3T12 V13 N22 K26T12-I24 CarbonylContact C-O 3.52Å; T12-I24 WeakPolarHBondContact CA-O 3.29Å; V13-I24 HydrophobicContact CB-CB 4.46Å; V13-I24 PolarHBondContact N-O 3.06Å; V13-I24 PolarHBondContact O-N 3.35Å; N22-I24 WeakPolarHBondContact OD1-CG1 3.26Å; I24-K26 HydrophobicContact CG2-CD 3.68Å; I24-K26 HydrophobicContact CG2-CG 3.75Å
25F88.1Confident84.7Confident51 Ų5196.2 Ų96.222%0.22450%0.5CS..EExtended strand (participates in β ladder)trans-107.6111.5171177.7-120.8000109.7P9 T12 P27 L41 F44P9-F25 HydrophobicContact CB-CE2 4.06Å; T12-F25 WeakPolarHBondContact OG1-CD2 3.17Å; F25-P27 HydrophobicContact CD1-CG 4.34Å; F25-P27 HydrophobicContact CE1-CG 3.67Å; F25-P27 HydrophobicContact CE2-CB 4.08Å; F25-P27 HydrophobicContact CE2-CG 4Å; F25-P27 HydrophobicContact CZ-CB 3.9Å; F25-P27 HydrophobicContact CZ-CG 3.47Å; F25-P27 VanDerWaalsContact CZ-CG 3.47Å; F25-L41 HydrophobicContact CE1-CD1 4.41Å; F25-L41 HydrophobicContact CE1-CD2 4.17Å; F25-L41 HydrophobicContact CZ-CD1 4.49Å; F25-L41 HydrophobicContact CZ-CD2 3.83Å; F25-F44 HydrophobicContact CB-CD2 4.47Å; F25-F44 HydrophobicContact CB-CE1 4.4Å; F25-F44 HydrophobicContact CB-CE2 3.66Å; F25-F44 HydrophobicContact CB-CZ 3.62Å; F25-F44 HydrophobicContact CD1-CD2 4.01Å; F25-F44 AromaticContact CD1-CE2 3.97Å; F25-F44 HydrophobicContact CD1-CE2 3.97Å; F25-F44 HydrophobicContact CD2-CE2 4.13Å; F25-F44 HydrophobicContact CE1-CD2 4.43Å; F25-F44 HydrophobicContact CG-CD2 4.19Å; F25-F44 AromaticContact CG-CE2 3.66Å; F25-F44 HydrophobicContact CG-CE2 3.66Å; F25-F44 HydrophobicContact CG-CZ 4.16Å
26K87.1Confident84Confident159 Ų15992.7 Ų92.769%0.69148%0.483SS*.  trans-134.572.1-177.4-71.8-178.8178.7-179.90110.8S11 I24S11-K26 PolarHBondContact O-N 2.89Å; I24-K26 HydrophobicContact CG2-CD 3.68Å; I24-K26 HydrophobicContact CG2-CG 3.75Å
27P85Confident82.9Confident22 Ų2294.9 Ų94.914%0.14349%0.493CS..  trans-71.5135.4-179.532.3-37.1000111.1F25 Q31 Q32 L41F25-P27 HydrophobicContact CD1-CG 4.34Å; F25-P27 HydrophobicContact CE1-CG 3.67Å; F25-P27 HydrophobicContact CE2-CB 4.08Å; F25-P27 HydrophobicContact CE2-CG 4Å; F25-P27 HydrophobicContact CZ-CB 3.9Å; F25-P27 HydrophobicContact CZ-CG 3.47Å; F25-P27 VanDerWaalsContact CZ-CG 3.47Å; P27-Q31 HydrophobicContact CB-CB 4.22Å; P27-Q32 HydrophobicContact CB-CG 3.96Å; P27-Q32 HydrophobicContact CG-CG 3.9Å; P27-Q32 PolarHBondContact O-NE2 3.07Å; P27-L41 HydrophobicContact CG-CD1 4.46Å
28T84.9Confident81.9Confident75 Ų7595.9 Ų95.946%0.4650%0.499SS..  trans-69.6161.2172.468.40000111.2V30 Q31 Q32T28-V30 PolarHBondContact O-N 3.05Å; T28-Q31 WeakPolarHBondContact O-CA 3.49Å; T28-Q31 WeakPolarHBondContact O-CB 3.43Å; T28-Q31 PolarHBondContact O-N 2.77Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.39Å; T28-Q31 PolarHBondContact OG1-N 2.87Å; T28-Q31 PolarHBondContact OG1-OE1 3.36Å; T28-Q32 WeakPolarHBondContact O-CG 3.41Å; T28-Q32 PolarHBondContact O-N 2.99Å
29V82.9Confident80.8Confident118 Ų11888.3 Ų88.372%0.71547%0.474SS*.Hα-helixtrans-53.7-38.9176.1178.70000111.7Q31 Q32 A33V29-Q31 PolarHBondContact O-N 3.16Å; V29-Q32 PolarHBondContact O-N 3.18Å; V29-A33 WeakPolarHBondContact O-CB 3.36Å; V29-A33 PolarHBondContact O-N 3.17Å
30V83.3Confident79.5Confident89 Ų8987.6 Ų87.654%0.53946%0.464SS..Hα-helixtrans-64.7-39.3176.4179.30000111.6T28 R34T28-V30 PolarHBondContact O-N 3.05Å; V30-R34 WeakPolarHBondContact O-CG 3.44Å; V30-R34 PolarHBondContact O-N 3.04Å
31Q80.9Confident78.4Confident53 Ų5385.3 Ų85.325%0.24846%0.456CS..Hα-helixtrans-71.1-39.8177.1-70.7168.6-27.400111.7S11 P27 T28 V29 R34 I35S11-Q31 PolarHBondContact OG-NE2 2.93Å; S11-Q31 PolarHBondContact OG-OE1 2.95Å; P27-Q31 HydrophobicContact CB-CB 4.22Å; T28-Q31 WeakPolarHBondContact O-CA 3.49Å; T28-Q31 WeakPolarHBondContact O-CB 3.43Å; T28-Q31 PolarHBondContact O-N 2.77Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.39Å; T28-Q31 PolarHBondContact OG1-N 2.87Å; T28-Q31 PolarHBondContact OG1-OE1 3.36Å; V29-Q31 PolarHBondContact O-N 3.16Å; Q31-R34 PolarHBondContact O-N 3.46Å; Q31-I35 WeakPolarHBondContact O-CD1 3.26Å; Q31-I35 VanDerWaalsContact O-CG1 3.24Å; Q31-I35 WeakPolarHBondContact O-CG1 3.48Å; Q31-I35 PolarHBondContact O-N 3.33Å; Q31-I35 VanDerWaalsContact O-N 3.12Å
32Q78.5Confident77.6Confident67 Ų6785.5 Ų85.531%0.31346%0.464SS..Hα-helixtrans-59.6-47.8174.4-65.7173.640.400110.9P27 T28 V29 R34 I35 A36 L41P27-Q32 HydrophobicContact CB-CG 3.96Å; P27-Q32 HydrophobicContact CG-CG 3.9Å; P27-Q32 PolarHBondContact O-NE2 3.07Å; T28-Q32 WeakPolarHBondContact O-CG 3.41Å; T28-Q32 PolarHBondContact O-N 2.99Å; V29-Q32 PolarHBondContact O-N 3.18Å; Q32-R34 VanDerWaalsContact C-N 3.26Å; Q32-R34 PolarHBondContact O-N 3.05Å; Q32-I35 PolarHBondContact O-N 3.22Å; Q32-A36 PolarHBondContact O-N 3.3Å; Q32-L41 HydrophobicContact CG-CD1 4.25Å
33A78.4Confident76.9Confident63 Ų6388.2 Ų88.252%0.52148%0.479SS..Hα-helixtrans-63.6-27.7178.400000113.9V29V29-A33 WeakPolarHBondContact O-CB 3.36Å; V29-A33 PolarHBondContact O-N 3.17Å
34R76.4Confident76.4Confident211 Ų21190 Ų9080%0.79649%0.485SS*.Hα-helixtrans-76.8-28.2173.7-75.7178.1-176.8-1711.5113.2V30 Q31 Q32V30-R34 WeakPolarHBondContact O-CG 3.44Å; V30-R34 PolarHBondContact O-N 3.04Å; Q31-R34 PolarHBondContact O-N 3.46Å; Q32-R34 VanDerWaalsContact C-N 3.26Å; Q32-R34 PolarHBondContact O-N 3.05Å
35I71.8Confident76Confident82 Ų8291.7 Ų91.742%0.42149%0.494SS..Hα-helixtrans-84.9-44.1-177.9-66.7164.2000110.4Q31 Q32 L41Q31-I35 WeakPolarHBondContact O-CD1 3.26Å; Q31-I35 VanDerWaalsContact O-CG1 3.24Å; Q31-I35 WeakPolarHBondContact O-CG1 3.48Å; Q31-I35 PolarHBondContact O-N 3.33Å; Q31-I35 VanDerWaalsContact O-N 3.12Å; Q32-I35 PolarHBondContact O-N 3.22Å; I35-L41 HydrophobicContact CD1-CD2 4.17Å; I35-L41 HydrophobicContact CG2-CD2 3.9Å; I35-L41 HydrophobicContact CG2-CG 4.35Å
36A72.7Confident75.8Confident17 Ų1793.7 Ų93.714%0.1451%0.506CS..  trans-145.5127.9178.600000110.9Q32 N38 G39 I40Q32-A36 PolarHBondContact O-N 3.3Å; A36-N38 PolarHBondContact O-N 3.01Å; A36-N38 VanDerWaalsContact O-N 3.15Å; A36-G39 PolarHBondContact O-N 3.27Å; A36-G39 VanDerWaalsContact O-N 3.15Å; A36-I40 VanDerWaalsContact CB-O 3.28Å; A36-I40 WeakPolarHBondContact CB-O 3.39Å
37Q64.8Low75.8Confident206 Ų20693.2 Ų93.296%0.96350%0.5SS*.THydrogen-bonded Turntrans-62-21.4-179.8-78.2-177.9-17.700113.7
38N67.3Low75.9Confident117 Ų117101.7 Ų101.763%0.62653%0.53SS*.THydrogen-bonded Turntrans-107.25.1179.664.4-4.2000113.8A36 I40A36-N38 PolarHBondContact O-N 3.01Å; A36-N38 VanDerWaalsContact O-N 3.15Å; N38-I40 VanDerWaalsContact C-N 3.25Å; N38-I40 PolarHBondContact O-N 2.95Å; N38-I40 PolarHBondContact OD1-N 3.19Å
39G59.5Low76.1Confident40 Ų40102.3 Ų102.341%0.41253%0.53SS..SBendtrans74.42.5179.900000115.9A36 L41A36-G39 PolarHBondContact O-N 3.27Å; A36-G39 VanDerWaalsContact O-N 3.15Å; G39-L41 PolarHBondContact O-N 3.15Å
40I57.5Low76.3Confident122 Ų122100.4 Ų100.463%0.62652%0.519SS*.  trans-83.7103.1175.6-57.5-179.9000108.8A36 N38A36-I40 VanDerWaalsContact CB-O 3.28Å; A36-I40 WeakPolarHBondContact CB-O 3.39Å; N38-I40 VanDerWaalsContact C-N 3.25Å; N38-I40 PolarHBondContact O-N 2.95Å; N38-I40 PolarHBondContact OD1-N 3.19Å
41L64.9Low76.3Confident66 Ų66104 Ų10435%0.34654%0.535SS..  trans-76.9134165.7-85.5130.5000108.6F25 P27 Q32 I35 G39F25-L41 HydrophobicContact CE1-CD1 4.41Å; F25-L41 HydrophobicContact CE1-CD2 4.17Å; F25-L41 HydrophobicContact CZ-CD1 4.49Å; F25-L41 HydrophobicContact CZ-CD2 3.83Å; P27-L41 HydrophobicContact CG-CD1 4.46Å; Q32-L41 HydrophobicContact CG-CD1 4.25Å; I35-L41 HydrophobicContact CD1-CD2 4.17Å; I35-L41 HydrophobicContact CG2-CD2 3.9Å; I35-L41 HydrophobicContact CG2-CG 4.35Å; G39-L41 PolarHBondContact O-N 3.15Å
42G73.6Confident76.3Confident66 Ų66103.5 Ų103.568%0.6853%0.531SS*.  trans-66.3-155.9173.500000112.8F44G42-F44 PolarHBondContact O-N 2.89Å
43D75.9Confident75.8Confident120 Ų120105.5 Ų105.564%0.64254%0.54SS*.  trans-68.2127.1-174.4-57.4-31.6000112.9I45D43-I45 HydrophobicContact CB-CD1 4.08Å; D43-I45 HydrophobicContact CB-CG1 3.79Å; D43-I45 PolarHBondContact O-N 3.39Å
44F79.8Confident75Confident93 Ų93107.7 Ų107.741%0.40854%0.54SS..  trans-92.290169.2-170.5-101.1000110.1P9 I23 F25 G42 I46P9-F44 HydrophobicContact CG-CE2 4.45Å; I23-F44 HydrophobicContact CG2-CE1 4.25Å; I23-F44 HydrophobicContact CG2-CZ 3.96Å; F25-F44 HydrophobicContact CB-CD2 4.47Å; F25-F44 HydrophobicContact CB-CE1 4.4Å; F25-F44 HydrophobicContact CB-CE2 3.66Å; F25-F44 HydrophobicContact CB-CZ 3.62Å; F25-F44 HydrophobicContact CD1-CD2 4.01Å; F25-F44 AromaticContact CD1-CE2 3.97Å; F25-F44 HydrophobicContact CD1-CE2 3.97Å; F25-F44 HydrophobicContact CD2-CE2 4.13Å; F25-F44 HydrophobicContact CE1-CD2 4.43Å; F25-F44 HydrophobicContact CG-CD2 4.19Å; F25-F44 AromaticContact CG-CE2 3.66Å; F25-F44 HydrophobicContact CG-CE2 3.66Å; F25-F44 HydrophobicContact CG-CZ 4.16Å; G42-F44 PolarHBondContact O-N 2.89Å; F44-I46 HydrophobicContact CD1-CD1 4.42Å; F44-I46 HydrophobicContact CD1-CG1 4.19Å; F44-I46 HydrophobicContact CE1-CD1 3.94Å; F44-I46 HydrophobicContact CE1-CG1 3.82Å
45I82.4Confident74.7Confident89 Ų8997.7 Ų97.746%0.45650%0.503SS..  trans-93.6119.5-172.8-54.4174.7000110.5D43 R47 P431D43-I45 HydrophobicContact CB-CD1 4.08Å; D43-I45 HydrophobicContact CB-CG1 3.79Å; D43-I45 PolarHBondContact O-N 3.39Å; I45-R47 HydrophobicContact CG2-CG 4.01Å; I45-P431 HydrophobicContact CG2-CG 4.43Å
46I85.1Confident75.1Confident93 Ų9394.2 Ų94.248%0.47749%0.485SS..  trans-100.4125.5170.5-58.6172000108.5I23 F44I23-I46 HydrophobicContact CD1-CB 4.41Å; I23-I46 HydrophobicContact CD1-CD1 4.01Å; I23-I46 HydrophobicContact CD1-CG1 4.09Å; I23-I46 HydrophobicContact CD1-CG2 3.46Å; I23-I46 VanDerWaalsContact CD1-CG2 3.46Å; F44-I46 HydrophobicContact CD1-CD1 4.42Å; F44-I46 HydrophobicContact CD1-CG1 4.19Å; F44-I46 HydrophobicContact CE1-CD1 3.94Å; F44-I46 HydrophobicContact CE1-CG1 3.82Å
47R86.4Confident75.6Confident149 Ų14993.9 Ų93.956%0.56248%0.482SS*.  trans-118.1131.3174.4-63-176.8179.9174.10.9109.5Y4 I45Y4-R47 PolarHBondContact OH-NH1 2.93Å; Y4-R47 PolarHBondContact OH-NH2 3.03Å; Y4-R47 VanDerWaalsContact OH-NH2 3.1Å; I45-R47 HydrophobicContact CG2-CG 4.01Å
48Y87.8Confident76.7Confident200 Ų20087.3 Ų87.378%0.78445%0.454SS*.  trans-144.5159174.273.6-82000110V50Y48-V50 HydrophobicContact CE2-CG1 4.31Å
49D87.8Confident77.7Confident87 Ų8782.6 Ų82.647%0.46543%0.429SS..  trans-132.2156.4166.5-170.525.1000106.7R52 K73D49-R52 IonicContact OD1-CZ 3.2Å; D49-R52 IonicContact OD1-NE 2.82Å; D49-R52 PolarHBondContact OD1-NE 3.41Å; D49-R52 IonicContact OD1-NH2 3.41Å; D49-R52 PolarHBondContact OD1-NH2 2.83Å; D49-R52 IonicContact OD2-CZ 2.85Å; D49-R52 IonicContact OD2-NE 3.32Å; D49-R52 PolarHBondContact OD2-NE 3.04Å; D49-R52 IonicContact OD2-NH2 2.74Å; D49-R52 PolarHBondContact OD2-NH2 3.45Å; D49-K73 IonicContact OD2-NZ 3.07Å; D49-K73 PolarHBondContact OD2-NZ 2.95Å
50V87.3Confident79.2Confident79 Ų7984 Ų8448%0.47943%0.425SS..  trans-94.5157.5176-62.10000110.2Y48 R52Y48-V50 HydrophobicContact CE2-CG1 4.31Å; V50-R52 HydrophobicContact CG2-CG 4.21Å; V50-R52 WeakPolarHBondContact O-CG 3.05Å; V50-R52 PolarHBondContact O-N 3.11Å; V50-R52 VanDerWaalsContact O-N 3.13Å
51N83.9Confident80.7Confident164 Ų16479.4 Ų79.488%0.87740%0.402SS*.  trans-65.2115.8166.3-169.316.8000108
52R81.2Confident81.8Confident43 Ų4377.5 Ų77.516%0.16239%0.392CS..  trans-95.2126.3-174-55-163.3-152.2177.2-14.4109.1D49 V50 K73 S296D49-R52 IonicContact OD1-CZ 3.2Å; D49-R52 IonicContact OD1-NE 2.82Å; D49-R52 PolarHBondContact OD1-NE 3.41Å; D49-R52 IonicContact OD1-NH2 3.41Å; D49-R52 PolarHBondContact OD1-NH2 2.83Å; D49-R52 IonicContact OD2-CZ 2.85Å; D49-R52 IonicContact OD2-NE 3.32Å; D49-R52 PolarHBondContact OD2-NE 3.04Å; D49-R52 IonicContact OD2-NH2 2.74Å; D49-R52 PolarHBondContact OD2-NH2 3.45Å; V50-R52 HydrophobicContact CG2-CG 4.21Å; V50-R52 WeakPolarHBondContact O-CG 3.05Å; V50-R52 PolarHBondContact O-N 3.11Å; V50-R52 VanDerWaalsContact O-N 3.13Å; R52-K73 HydrophobicContact CB-CD 3.96Å; R52-K73 HydrophobicContact CB-CG 4.21Å; R52-K73 HydrophobicContact CG-CD 4.3Å; R52-K73 VanDerWaalsContact CG-CE 3.44Å; R52-K73 VanDerWaalsContact NE-CE 3.33Å; R52-S296 PolarHBondContact NH1-O 2.85Å
53E67.1Low82.3Confident108 Ų10878.8 Ų78.851%0.50538%0.384SS..  trans-67.2140.9172.4-63.9-163.217400110.7S55E53-S55 VanDerWaalsContact CB-OG 3.23Å; E53-S55 WeakPolarHBondContact CB-OG 3.37Å; E53-S55 PolarHBondContact O-N 3.19Å; E53-S55 PolarHBondContact OE2-OG 3.25Å
54Q62.3Low83Confident109 Ų10973.4 Ų73.451%0.50936%0.356SS..SBendtrans-7618.5175.6-69.9174.7-18.100112.9D74Q54-D74 PolarHBondContact NE2-OD2 2.79Å
55S69.7Low83.6Confident2 Ų269.5 Ų69.51%0.01434%0.339CS..SBendtrans-107.3-152.3-161.268.70000112.9E53 G57E53-S55 VanDerWaalsContact CB-OG 3.23Å; E53-S55 WeakPolarHBondContact CB-OG 3.37Å; E53-S55 PolarHBondContact O-N 3.19Å; E53-S55 PolarHBondContact OE2-OG 3.25Å; S55-G57 PolarHBondContact O-N 3.26Å; S55-G57 PolarHBondContact OG-N 3.05Å; S55-G57 VanDerWaalsContact OG-N 3.16Å
56I79.4Confident84.1Confident9 Ų965.3 Ų65.35%0.04632%0.317CS..SBendtrans-64.5-6.2166.6-155.8168.1000113.1I59 H68 F70 V314 V316 L327 T329I56-I59 HydrophobicContact CG2-CD1 4.28Å; I56-H68 PolarHBondContact O-CE1 2.99Å; I56-H68 PolarHBondContact O-NE2 3.28Å; I56-F70 WeakPolarHBondContact O-CD2 3.38Å; I56-V314 HydrophobicContact CD1-CB 4.08Å; I56-V314 HydrophobicContact CD1-CG1 3.91Å; I56-V314 WeakPolarHBondContact CD1-O 3.33Å; I56-V316 HydrophobicContact CD1-CB 4.48Å; I56-V316 HydrophobicContact CD1-CG2 3.87Å; I56-V316 HydrophobicContact CG1-CB 4.06Å; I56-V316 HydrophobicContact CG1-CG2 3.37Å; I56-L327 HydrophobicContact CB-CB 4.09Å; I56-L327 HydrophobicContact CB-CD1 4.46Å; I56-L327 HydrophobicContact CD1-CB 4.11Å; I56-L327 HydrophobicContact CG1-CB 3.9Å; I56-T329 HydrophobicContact CD1-CG2 3.91Å; I56-T329 HydrophobicContact CG2-CG2 3.69Å
57G83.8Confident84.6Confident9 Ų960.9 Ų60.99%0.09330%0.295CS..  trans102.9175.5-176.400000112.8S55 Y69S55-G57 PolarHBondContact O-N 3.26Å; S55-G57 PolarHBondContact OG-N 3.05Å; S55-G57 VanDerWaalsContact OG-N 3.16Å; G57-Y69 CarbonylContact C-O 3.55Å; G57-Y69 WeakPolarHBondContact CA-O 3.34Å
58D87.4Confident84.9Confident68 Ų6853.8 Ų53.836%0.36427%0.268SS..EExtended strand (participates in β ladder)trans-88.7126.2176.7178.333.3000110.3Q60 H68 Y69D58-Q60 PolarHBondContact OD2-NE2 3.04Å; D58-H68 CarbonylContact O-C 3.59Å; D58-H68 WeakPolarHBondContact O-CA 3.49Å; D58-Y69 HydrophobicContact CB-CD2 4.41Å; D58-Y69 PolarHBondContact N-O 2.83Å; D58-Y69 PolarHBondContact O-N 3.34Å
59I89.8Confident85.1Confident19 Ų1946.9 Ų46.910%0.09724%0.241CC..EExtended strand (participates in β ladder)trans-121.4114.1-179.7-58.8162.4000108.9I56 V61 V67 H68 V314 T329 V331I56-I59 HydrophobicContact CG2-CD1 4.28Å; I59-V61 HydrophobicContact CG2-CG2 4.37Å; I59-V67 WeakPolarHBondContact CA-O 3.18Å; I59-H68 HydrophobicContact CG1-CB 4.07Å; I59-H68 WeakPolarHBondContact CG1-CD2 3.49Å; I59-V314 HydrophobicContact CD1-CB 4.12Å; I59-V314 HydrophobicContact CD1-CG1 4.26Å; I59-V314 HydrophobicContact CD1-CG2 3.83Å; I59-T329 HydrophobicContact CD1-CG2 4.04Å; I59-V331 HydrophobicContact CB-CG1 4.23Å; I59-V331 HydrophobicContact CB-CG2 3.88Å; I59-V331 HydrophobicContact CD1-CG2 3.51Å; I59-V331 HydrophobicContact CG1-CG2 4.28Å; I59-V331 HydrophobicContact CG2-CB 4.35Å; I59-V331 HydrophobicContact CG2-CG1 4.05Å; I59-V331 HydrophobicContact CG2-CG2 3.95Å
60Q90.2Very high85.3Confident69 Ų6942.8 Ų42.832%0.32222%0.219SC..EExtended strand (participates in β ladder)trans-108.3132.4179.6-56.6178.314.300109.6D58 F66 V67 I359D58-Q60 PolarHBondContact OD2-NE2 3.04Å; Q60-F66 CarbonylContact O-C 3.56Å; Q60-F66 WeakPolarHBondContact O-CA 3.08Å; Q60-F66 WeakPolarHBondContact O-CB 3.13Å; Q60-V67 HydrophobicContact CB-CG1 3.91Å; Q60-V67 HydrophobicContact CG-CG1 4.49Å; Q60-V67 PolarHBondContact N-O 3.18Å; Q60-V67 PolarHBondContact O-N 3.5Å; Q60-I359 HydrophobicContact CB-CD1 3.74Å
61V89.1Confident85.5Confident25 Ų2539.4 Ų39.415%0.15220%0.199CC..EExtended strand (participates in β ladder)trans-123.6127.4179.7-173.50000109.7I59 Y65 F66 L304 V331 V333I59-V61 HydrophobicContact CG2-CG2 4.37Å; V61-Y65 WeakPolarHBondContact CA-O 3.14Å; V61-F66 HydrophobicContact CG2-CB 3.99Å; V61-L304 HydrophobicContact CG1-CD1 3.8Å; V61-V331 HydrophobicContact CG2-CG1 4.33Å; V61-V333 HydrophobicContact CG1-CB 4.4Å; V61-V333 HydrophobicContact CG1-CG1 3.97Å; V61-V333 HydrophobicContact CG1-CG2 4.26Å
62L87.4Confident85.6Confident26 Ų2632 Ų3214%0.13616%0.16CC..EExtended strand (participates in β ladder)trans-145.8123.3178.5-172.461.6000111.4G64 Y65 N357 I359L62-G64 VanDerWaalsContact C-N 3.29Å; L62-G64 PolarHBondContact O-N 3.36Å; L62-G64 VanDerWaalsContact O-N 3.16Å; L62-Y65 PolarHBondContact N-O 3.09Å; L62-Y65 PolarHBondContact O-N 2.97Å; L62-N357 WeakPolarHBondContact CD2-OD1 3.47Å; L62-N357 PolarHBondContact O-ND2 3Å; L62-I359 HydrophobicContact CB-CB 4.33Å; L62-I359 HydrophobicContact CB-CD1 3.59Å; L62-I359 HydrophobicContact CB-CG1 4.09Å; L62-I359 HydrophobicContact CD2-CG1 4.46Å
63N85.6Confident85.4Confident94 Ų9433.1 Ų33.150%0.50317%0.166SC..THydrogen-bonded Turntrans50.739.7172-65.2-22.4000115.3R307N63-R307 PolarHBondContact O-NE 3.22Å; N63-R307 PolarHBondContact O-NH2 3.21Å
64G88.9Confident85.6Confident7 Ų734 Ų347%0.07217%0.174CC..THydrogen-bonded Turntrans85.58.8178.800000114.9L62 L304L62-G64 VanDerWaalsContact C-N 3.29Å; L62-G64 PolarHBondContact O-N 3.36Å; L62-G64 VanDerWaalsContact O-N 3.16Å; G64-L304 PolarHBondContact O-N 3.46Å
65Y92.7Very high86.6Confident11 Ų1130.3 Ų30.34%0.04316%0.158CC..EExtended strand (participates in β ladder)trans-120.2153.9171.2-62.6-92.2000109.7V61 L62 G302 K303 E360 W363V61-Y65 WeakPolarHBondContact CA-O 3.14Å; L62-Y65 PolarHBondContact N-O 3.09Å; L62-Y65 PolarHBondContact O-N 2.97Å; Y65-G302 CarbonylContact C-O 3.55Å; Y65-G302 VanDerWaalsContact CA-O 3.29Å; Y65-G302 WeakPolarHBondContact CA-O 3.44Å; Y65-K303 HydrophobicContact CD1-CB 3.99Å; Y65-K303 HydrophobicContact CD1-CG 4.09Å; Y65-K303 HydrophobicContact CE1-CB 3.96Å; Y65-K303 HydrophobicContact CE1-CD 3.79Å; Y65-K303 HydrophobicContact CE1-CG 3.75Å; Y65-E360 HydrophobicContact CD1-CB 4.27Å; Y65-E360 HydrophobicContact CD1-CG 4.35Å; Y65-E360 HydrophobicContact CD2-CB 3.63Å; Y65-E360 HydrophobicContact CD2-CG 3.99Å; Y65-E360 HydrophobicContact CE1-CB 4.39Å; Y65-E360 HydrophobicContact CE1-CG 3.98Å; Y65-E360 HydrophobicContact CE2-CB 3.73Å; Y65-E360 HydrophobicContact CE2-CG 3.54Å; Y65-E360 WeakPolarHBondContact CE2-OE2 3.4Å; Y65-E360 HydrophobicContact CG-CB 3.88Å; Y65-E360 HydrophobicContact CG-CG 4.34Å; Y65-E360 VanDerWaalsContact CZ-CD 3.45Å; Y65-E360 PolarHBondContact OH-OE1 3.22Å; Y65-W363 HydrophobicContact CD1-CB 4.21Å; Y65-W363 AromaticContact CD1-CD2 3.91Å; Y65-W363 HydrophobicContact CD1-CD2 3.91Å; Y65-W363 HydrophobicContact CD1-CE3 4Å; Y65-W363 AromaticContact CD1-CG 4Å; Y65-W363 HydrophobicContact CD1-CG 4Å; Y65-W363 AromaticContact CE1-CD2 3.79Å; Y65-W363 HydrophobicContact CE1-CD2 3.79Å; Y65-W363 AromaticContact CE1-CE3 3.5Å; Y65-W363 HydrophobicContact CE1-CE3 3.5Å; Y65-W363 VanDerWaalsContact CE1-CE3 3.5Å; Y65-W363 HydrophobicContact CE1-CG 4.37Å; Y65-W363 HydrophobicContact CE1-CH2 4.43Å; Y65-W363 AromaticContact CE1-CZ3 3.85Å; Y65-W363 HydrophobicContact CE1-CZ3 3.85Å
66F93.6Very high87.3Confident0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-134154.9173.872.3-91.9000111.5Q60 V61 Y276 V281 A284 A301 G302 L304 L312Q60-F66 CarbonylContact O-C 3.56Å; Q60-F66 WeakPolarHBondContact O-CA 3.08Å; Q60-F66 WeakPolarHBondContact O-CB 3.13Å; V61-F66 HydrophobicContact CG2-CB 3.99Å; F66-Y276 HydrophobicContact CD2-CE1 4.26Å; F66-Y276 HydrophobicContact CE2-CD1 4.1Å; F66-Y276 AromaticContact CE2-CE1 3.44Å; F66-Y276 HydrophobicContact CE2-CE1 3.44Å; F66-Y276 VanDerWaalsContact CE2-CE1 3.44Å; F66-Y276 HydrophobicContact CE2-CE2 4.2Å; F66-Y276 AromaticContact CE2-CZ 3.5Å; F66-Y276 VanDerWaalsContact CE2-CZ 3.5Å; F66-Y276 AromaticContact CZ-CD1 3.83Å; F66-Y276 HydrophobicContact CZ-CD1 3.83Å; F66-Y276 HydrophobicContact CZ-CD2 4.34Å; F66-Y276 AromaticContact CZ-CE1 3.67Å; F66-Y276 HydrophobicContact CZ-CE1 3.67Å; F66-Y276 HydrophobicContact CZ-CE2 4.22Å; F66-Y276 HydrophobicContact CZ-CG 4.15Å; F66-Y276 AromaticContact CZ-CZ 3.87Å; F66-V281 HydrophobicContact CE1-CB 4.45Å; F66-V281 HydrophobicContact CE1-CG1 3.86Å; F66-V281 HydrophobicContact CE1-CG2 3.69Å; F66-V281 HydrophobicContact CZ-CG1 4.26Å; F66-V281 HydrophobicContact CZ-CG2 4.24Å; F66-A284 HydrophobicContact CZ-CB 4.37Å; F66-A301 CarbonylContact O-C 3.55Å; F66-A301 VanDerWaalsContact O-CA 3.27Å; F66-A301 WeakPolarHBondContact O-CA 3.39Å; F66-G302 PolarHBondContact N-O 2.77Å; F66-G302 PolarHBondContact O-N 2.76Å; F66-L304 HydrophobicContact CD1-CD2 3.72Å; F66-L304 HydrophobicContact CD1-CG 4.35Å; F66-L304 HydrophobicContact CE1-CD2 4.16Å; F66-L312 HydrophobicContact CB-CD2 4.47Å; F66-L312 HydrophobicContact CD1-CD2 4.2Å; F66-L312 HydrophobicContact CD2-CD2 4.48Å; F66-L312 HydrophobicContact CG-CD2 4.14Å
67V94.3Very high87.7Confident0 Ų033.1 Ų33.10%018%0.177CC..EExtended strand (participates in β ladder)trans-127.6140.216360.30000108.7I59 Q60 Y69 I299 I300 I359 L362I59-V67 WeakPolarHBondContact CA-O 3.18Å; Q60-V67 HydrophobicContact CB-CG1 3.91Å; Q60-V67 HydrophobicContact CG-CG1 4.49Å; Q60-V67 PolarHBondContact N-O 3.18Å; Q60-V67 PolarHBondContact O-N 3.5Å; V67-Y69 HydrophobicContact CB-CE2 4.2Å; V67-Y69 HydrophobicContact CG1-CD2 4.33Å; V67-Y69 HydrophobicContact CG1-CE2 3.45Å; V67-Y69 VanDerWaalsContact CG1-CE2 3.45Å; V67-Y69 HydrophobicContact CG2-CD1 4.46Å; V67-Y69 HydrophobicContact CG2-CD2 4.22Å; V67-Y69 HydrophobicContact CG2-CE1 3.93Å; V67-Y69 HydrophobicContact CG2-CE2 3.69Å; V67-I299 HydrophobicContact CG2-CG2 3.67Å; V67-I300 CarbonylContact C-O 3.53Å; V67-I300 VanDerWaalsContact CA-O 3.31Å; V67-I300 WeakPolarHBondContact CA-O 3.29Å; V67-I359 HydrophobicContact CB-CG2 4.32Å; V67-I359 HydrophobicContact CG1-CD1 4.22Å; V67-I359 HydrophobicContact CG1-CG1 4.37Å; V67-I359 HydrophobicContact CG1-CG2 4.25Å; V67-L362 HydrophobicContact CB-CD2 4.2Å; V67-L362 HydrophobicContact CG1-CD2 4.48Å; V67-L362 HydrophobicContact CG2-CD2 3.74Å
68H93.9Very high88Confident0 Ų032.8 Ų32.80%017%0.173CC..EExtended strand (participates in β ladder)trans-124.3115.9179.4179.8-168.1000108.5I56 D58 I59 Y276 I299 I300I56-H68 PolarHBondContact O-CE1 2.99Å; I56-H68 PolarHBondContact O-NE2 3.28Å; D58-H68 CarbonylContact O-C 3.59Å; D58-H68 WeakPolarHBondContact O-CA 3.49Å; I59-H68 HydrophobicContact CG1-CB 4.07Å; I59-H68 WeakPolarHBondContact CG1-CD2 3.49Å; H68-Y276 WeakPolarHBondContact CB-OH 3.35Å; H68-Y276 AromaticContact ND1-CZ 3.87Å; H68-Y276 PolarHBondContact ND1-OH 2.91Å; H68-I299 WeakPolarHBondContact O-CA 3.37Å; H68-I300 HydrophobicContact CB-CB 4.28Å; H68-I300 HydrophobicContact CB-CD1 4.17Å; H68-I300 PolarHBondContact N-O 3.37Å; H68-I300 PolarHBondContact O-N 2.86Å
69Y92.8Very high88.1Confident55 Ų5531.2 Ų31.222%0.21617%0.166CC..EExtended strand (participates in β ladder)trans-100.7108.1176.3-58.4-82.4000109.2G57 D58 V67 I299 L362G57-Y69 CarbonylContact C-O 3.55Å; G57-Y69 WeakPolarHBondContact CA-O 3.34Å; D58-Y69 HydrophobicContact CB-CD2 4.41Å; D58-Y69 PolarHBondContact N-O 2.83Å; D58-Y69 PolarHBondContact O-N 3.34Å; V67-Y69 HydrophobicContact CB-CE2 4.2Å; V67-Y69 HydrophobicContact CG1-CD2 4.33Å; V67-Y69 HydrophobicContact CG1-CE2 3.45Å; V67-Y69 VanDerWaalsContact CG1-CE2 3.45Å; V67-Y69 HydrophobicContact CG2-CD1 4.46Å; V67-Y69 HydrophobicContact CG2-CD2 4.22Å; V67-Y69 HydrophobicContact CG2-CE1 3.93Å; V67-Y69 HydrophobicContact CG2-CE2 3.69Å; Y69-I299 HydrophobicContact CD1-CD1 4.22Å; Y69-I299 HydrophobicContact CD1-CG1 3.96Å; Y69-I299 HydrophobicContact CD1-CG2 4.15Å; Y69-I299 HydrophobicContact CE1-CD1 4.13Å; Y69-I299 HydrophobicContact CE1-CG1 4.28Å; Y69-I299 HydrophobicContact CE1-CG2 4Å; Y69-L362 WeakPolarHBondContact OH-CD2 3.13Å
70F91.6Very high88.3Confident2 Ų230.3 Ų30.31%0.00916%0.162CC..EExtended strand (participates in β ladder)trans-110.6108.6179.8-178.7-110.6000110.3I56 P72 L269 I272 I274 I298 V316 L327I56-F70 WeakPolarHBondContact O-CD2 3.38Å; F70-P72 HydrophobicContact CE1-CG 3.99Å; F70-P72 HydrophobicContact CE2-CG 4.07Å; F70-P72 HydrophobicContact CZ-CG 3.67Å; F70-L269 HydrophobicContact CE1-CD1 3.98Å; F70-L269 HydrophobicContact CZ-CD1 3.92Å; F70-I272 HydrophobicContact CD1-CG2 4.4Å; F70-I272 HydrophobicContact CE1-CG2 3.99Å; F70-I274 HydrophobicContact CB-CD1 4.5Å; F70-I298 HydrophobicContact CB-CB 4.27Å; F70-I298 HydrophobicContact CD1-CB 4.41Å; F70-I298 HydrophobicContact CD1-CD1 4.06Å; F70-I298 PolarHBondContact N-O 3.01Å; F70-I298 PolarHBondContact O-N 3.35Å; F70-V316 HydrophobicContact CE1-CG1 4.39Å; F70-V316 HydrophobicContact CE2-CG1 4.14Å; F70-V316 HydrophobicContact CZ-CG1 3.93Å; F70-L327 HydrophobicContact CE2-CD1 4.14Å
71A90.6Very high88.5Confident7 Ų727.2 Ų27.26%0.05815%0.147CC..  trans-148.866.2-178.200000111.8K73 Y292 E297A71-K73 PolarHBondContact O-N 3.19Å; A71-Y292 VanDerWaalsContact CA-OH 3.22Å; A71-Y292 WeakPolarHBondContact CA-OH 3.45Å; A71-Y292 WeakPolarHBondContact CB-OH 3.36Å; A71-E297 HydrophobicContact CB-CB 4.17Å; A71-E297 HydrophobicContact CB-CG 4.1Å
72P85.4Confident88.8Confident10 Ų1026 Ų267%0.06514%0.14CC..  trans-61.8134.4-176.826.9-35.2000111.4F70 L75 L269 Y292F70-P72 HydrophobicContact CE1-CG 3.99Å; F70-P72 HydrophobicContact CE2-CG 4.07Å; F70-P72 HydrophobicContact CZ-CG 3.67Å; P72-L75 HydrophobicContact CB-CD1 3.83Å; P72-L75 HydrophobicContact CB-CG 4.4Å; P72-L75 HydrophobicContact CG-CD1 3.8Å; P72-L269 HydrophobicContact CG-CD1 3.84Å; P72-Y292 HydrophobicContact CG-CD1 4.03Å; P72-Y292 HydrophobicContact CG-CE1 3.73Å; P72-Y292 WeakPolarHBondContact O-CE1 3.48Å
73K76.9Confident89.3Confident66 Ų6624.8 Ų24.829%0.28713%0.134SC..  trans-99166.5175.1-67.9-172.2173.31740111D49 R52 A71 L75D49-K73 IonicContact OD2-NZ 3.07Å; D49-K73 PolarHBondContact OD2-NZ 2.95Å; R52-K73 HydrophobicContact CB-CD 3.96Å; R52-K73 HydrophobicContact CB-CG 4.21Å; R52-K73 HydrophobicContact CG-CD 4.3Å; R52-K73 VanDerWaalsContact CG-CE 3.44Å; R52-K73 VanDerWaalsContact NE-CE 3.33Å; A71-K73 PolarHBondContact O-N 3.19Å; K73-L75 PolarHBondContact O-N 3.45Å; K73-L75 VanDerWaalsContact O-N 3.14Å
74D72.9Confident89.9Confident125 Ų12520.4 Ų20.467%0.66811%0.11SC*.SBendtrans61.422.6169.9-48.7-44.5000115.9Q54Q54-D74 PolarHBondContact NE2-OD2 2.79Å
75L82.1Confident90.3Very high33 Ų3320 Ų2017%0.17311%0.107CC..PPolyproline II helixtrans-80.9142.2172.5-66.4176.8000110.9P72 K73 L268 L269 L557P72-L75 HydrophobicContact CB-CD1 3.83Å; P72-L75 HydrophobicContact CB-CG 4.4Å; P72-L75 HydrophobicContact CG-CD1 3.8Å; K73-L75 PolarHBondContact O-N 3.45Å; K73-L75 VanDerWaalsContact O-N 3.14Å; L75-L268 HydrophobicContact CB-CB 4.25Å; L75-L268 HydrophobicContact CB-CD1 4.47Å; L75-L268 HydrophobicContact CD1-CB 4.45Å; L75-L268 WeakPolarHBondContact O-CD2 3.29Å; L75-L269 HydrophobicContact CD1-CD1 3.8Å; L75-L269 HydrophobicContact CD1-CD2 3.76Å; L75-L269 HydrophobicContact CD1-CG 3.68Å; L75-L557 HydrophobicContact CD2-CD2 3.93Å
76P84.2Confident90.5Very high16 Ų1619.8 Ų19.810%0.10411%0.106CC..PPolyproline II helixtrans-65.4135.1173.422.6-25.7000109.2N320 D555 L557P76-N320 PolarHBondContact O-ND2 2.77Å; P76-D555 HydrophobicContact CB-CB 3.87Å; P76-D555 HydrophobicContact CG-CB 3.68Å; P76-L557 HydrophobicContact CG-CD2 3.98Å
77P89Confident90.6Very high54 Ų5419.9 Ų19.935%0.35111%0.106SC..PPolyproline II helixtrans-84.8132.7-166.536.1-39.4000112R112 T266 P267 L268P77-R112 PolarHBondContact O-NH1 2.9Å; P77-T266 HydrophobicContact CB-CG2 3.54Å; P77-P267 CarbonylContact C-O 3.56Å; P77-P267 WeakPolarHBondContact CA-O 3.46Å; P77-L268 HydrophobicContact CB-CD2 3.82Å
78L89.1Confident90.7Very high1 Ų120.3 Ų20.31%0.00511%0.11CC..PPolyproline II helixtrans-62.3135.8-179.7-81.6168.8000112.1R112 V184 P267 L269 N320L78-R112 PolarHBondContact O-NH1 2.91Å; L78-R112 PolarHBondContact O-NH2 2.83Å; L78-V184 HydrophobicContact CB-CG2 4.42Å; L78-V184 HydrophobicContact CD1-CG2 3.98Å; L78-P267 HydrophobicContact CB-CB 4.14Å; L78-P267 HydrophobicContact CB-CG 4.09Å; L78-P267 PolarHBondContact N-O 3.39Å; L78-L269 VanDerWaalsContact CD1-C 3.4Å; L78-N320 WeakPolarHBondContact CD2-OD1 3.37Å; L78-N320 WeakPolarHBondContact CG-OD1 3.49Å
79P90.7Very high90.8Very high36 Ų3620.4 Ų20.423%0.23411%0.11CC..PPolyproline II helixtrans-58141167.2-22.333.6000111.1Q114 S183 V184P79-Q114 HydrophobicContact CB-CB 4.43Å; P79-Q114 HydrophobicContact CG-CB 4.37Å; P79-S183 VanDerWaalsContact O-CA 3.22Å; P79-S183 WeakPolarHBondContact O-CA 3.18Å; P79-S183 WeakPolarHBondContact O-CB 3.39Å; P79-V184 PolarHBondContact O-N 3.23Å
80K92.4Very high90.8Very high0 Ų020.2 Ų20.20%012%0.12CC..EExtended strand (participates in β ladder)trans-119.9143.5175.265178.1-172.8-71.10112.7D115 R116 V184 L186 Y261 R265 P267K80-D115 HydrophobicContact CG-CB 4.23Å; K80-D115 WeakPolarHBondContact CG-OD1 3.03Å; K80-D115 PolarHBondContact N-OD1 3.31Å; K80-D115 IonicContact NZ-OD2 3.39Å; K80-D115 PolarHBondContact NZ-OD2 2.84Å; K80-D115 WeakPolarHBondContact O-CA 3.46Å; K80-D115 WeakPolarHBondContact O-CB 3.17Å; K80-R116 PolarHBondContact O-N 3.26Å; K80-V184 CarbonylContact C-O 3.5Å; K80-V184 VanDerWaalsContact CA-O 3.29Å; K80-V184 WeakPolarHBondContact CA-O 3.35Å; K80-L186 HydrophobicContact CD-CD1 4.13Å; K80-Y261 WeakPolarHBondContact CE-OH 3.48Å; K80-Y261 PolarHBondContact NZ-OH 2.97Å; K80-R265 WeakPolarHBondContact CD-O 3.4Å; K80-R265 VanDerWaalsContact CE-O 3.23Å; K80-R265 WeakPolarHBondContact CE-O 3.29Å; K80-R265 PolarHBondContact NZ-O 2.99Å; K80-P267 HydrophobicContact CB-CG 4.12Å
81N94.8Very high90.8Very high3 Ų322.8 Ų22.82%0.01614%0.138CC..EExtended strand (participates in β ladder)trans-103107.4170.4-55-41.7000107.5R116 L133 L170 Y173 S183 V184 S185 L186N81-R116 CarbonylContact C-O 3.5Å; N81-R116 WeakPolarHBondContact CA-O 3.31Å; N81-L133 HydrophobicContact CB-CD1 3.76Å; N81-L170 HydrophobicContact CB-CD2 3.68Å; N81-L170 WeakPolarHBondContact O-CD2 3.47Å; N81-Y173 VanDerWaalsContact OD1-CE1 3.27Å; N81-Y173 WeakPolarHBondContact OD1-CE1 3.46Å; N81-S183 PolarHBondContact ND2-OG 2.86Å; N81-V184 PolarHBondContact N-O 2.83Å; N81-S185 PolarHBondContact ND2-OG 2.98Å; N81-S185 CarbonylContact O-C 3.55Å; N81-S185 WeakPolarHBondContact O-CA 3.31Å; N81-L186 PolarHBondContact O-N 3.03Å
82V96.4Very high90.9Very high1 Ų122.4 Ų22.41%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-116.8129.5-174.361.80000112.3F84 L111 R116 F117 S118 L186 V188V82-F84 HydrophobicContact CG1-CE2 3.76Å; V82-F84 HydrophobicContact CG1-CZ 3.98Å; V82-F84 HydrophobicContact CG2-CD1 4.5Å; V82-F84 HydrophobicContact CG2-CD2 4.48Å; V82-F84 HydrophobicContact CG2-CE1 4.04Å; V82-F84 HydrophobicContact CG2-CE2 4.03Å; V82-F84 HydrophobicContact CG2-CZ 3.79Å; V82-L111 HydrophobicContact CG1-CD2 3.88Å; V82-R116 PolarHBondContact N-O 3.37Å; V82-F117 HydrophobicContact CG1-CB 3.79Å; V82-F117 CarbonylContact O-C 3.55Å; V82-F117 WeakPolarHBondContact O-CA 3.25Å; V82-S118 PolarHBondContact O-N 2.94Å; V82-S118 VanDerWaalsContact O-N 3.07Å; V82-L186 WeakPolarHBondContact CA-O 3.36Å; V82-L186 HydrophobicContact CB-CB 4.48Å; V82-L186 HydrophobicContact CG2-CB 4.34Å; V82-V188 HydrophobicContact CG2-CG2 4.15Å
83V98.1Very high91.2Very high0 Ų026.2 Ų26.20%016%0.158CC..EExtended strand (participates in β ladder)trans-111.8118.6170.3-176.80000109.4V85 S118 I120 L133 A166 L170 L186 I187 V188V83-V85 HydrophobicContact CG1-CG2 3.94Å; V83-S118 WeakPolarHBondContact CA-O 3.48Å; V83-I120 HydrophobicContact CG1-CD1 3.84Å; V83-I120 HydrophobicContact CG1-CG1 3.94Å; V83-L133 HydrophobicContact CG2-CD2 3.85Å; V83-A166 HydrophobicContact CB-CB 4.37Å; V83-A166 HydrophobicContact CG1-CB 3.87Å; V83-L170 HydrophobicContact CG2-CD1 4.2Å; V83-L170 HydrophobicContact CG2-CD2 3.87Å; V83-L170 HydrophobicContact CG2-CG 3.79Å; V83-L186 PolarHBondContact N-O 3.19Å; V83-I187 WeakPolarHBondContact O-CA 3.33Å; V83-V188 PolarHBondContact O-N 2.87Å
84F97.7Very high91.8Very high1 Ų125.5 Ų25.50%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-86.8116.5172.9-60-79.7000109V82 L86 L104 I107 L108 L111 F117 S118 I119 I120 V188 Y261V82-F84 HydrophobicContact CG1-CE2 3.76Å; V82-F84 HydrophobicContact CG1-CZ 3.98Å; V82-F84 HydrophobicContact CG2-CD1 4.5Å; V82-F84 HydrophobicContact CG2-CD2 4.48Å; V82-F84 HydrophobicContact CG2-CE1 4.04Å; V82-F84 HydrophobicContact CG2-CE2 4.03Å; V82-F84 HydrophobicContact CG2-CZ 3.79Å; F84-L86 HydrophobicContact CB-CD2 4.28Å; F84-L86 HydrophobicContact CB-CG 4.47Å; F84-L104 HydrophobicContact CB-CD2 4.38Å; F84-L104 HydrophobicContact CD1-CD2 3.81Å; F84-L104 HydrophobicContact CE1-CD2 4.33Å; F84-L104 HydrophobicContact CG-CD2 4.13Å; F84-I107 HydrophobicContact CE1-CG2 3.61Å; F84-I107 HydrophobicContact CZ-CG2 3.52Å; F84-L108 HydrophobicContact CD2-CD2 4.33Å; F84-L108 HydrophobicContact CE2-CD2 3.95Å; F84-L111 HydrophobicContact CE2-CD1 4.42Å; F84-F117 HydrophobicContact CE2-CB 4.47Å; F84-S118 PolarHBondContact N-O 3.27Å; F84-I119 WeakPolarHBondContact O-CA 3.41Å; F84-I120 PolarHBondContact O-N 2.82Å; F84-V188 HydrophobicContact CD1-CB 3.89Å; F84-V188 HydrophobicContact CD1-CG1 4.34Å; F84-V188 HydrophobicContact CD1-CG2 4.28Å; F84-V188 HydrophobicContact CE1-CB 4.25Å; F84-V188 HydrophobicContact CE1-CG2 4.15Å; F84-Y261 HydrophobicContact CE1-CD2 4.41Å; F84-Y261 HydrophobicContact CE1-CE2 4.14Å; F84-Y261 HydrophobicContact CZ-CE2 4.1Å
85V98Very high92.5Very high0 Ų023.1 Ų23.10%016%0.159CC..EExtended strand (participates in β ladder)trans-111.3110.2-178.9-174.90000108.3V83 I120 F122 A162 A166 I187 V188 F189 L190V83-V85 HydrophobicContact CG1-CG2 3.94Å; V85-I120 WeakPolarHBondContact CA-O 3.38Å; V85-I120 HydrophobicContact CG1-CG2 4.49Å; V85-I120 HydrophobicContact CG2-CB 4.41Å; V85-F122 HydrophobicContact CG1-CD1 3.63Å; V85-F122 HydrophobicContact CG1-CE1 3.85Å; V85-A162 HydrophobicContact CG1-CB 3.79Å; V85-A166 HydrophobicContact CG2-CB 3.57Å; V85-I187 HydrophobicContact CG2-CG2 3.83Å; V85-V188 PolarHBondContact N-O 2.8Å; V85-F189 HydrophobicContact CB-CD2 3.72Å; V85-F189 HydrophobicContact CB-CE2 4.33Å; V85-F189 HydrophobicContact CG1-CD2 3.49Å; V85-F189 VanDerWaalsContact CG1-CD2 3.49Å; V85-F189 HydrophobicContact CG1-CE2 3.6Å; V85-F189 WeakPolarHBondContact O-CA 3.25Å; V85-L190 PolarHBondContact O-N 3.48Å
86L96.7Very high92.8Very high6 Ų622.7 Ų22.73%0.03116%0.156CC..EExtended strand (participates in β ladder)trans-117.9123.1-163.7-51.5175.8000110.5F84 S88 L104 I119 I120 G121 F122 I148 M151 L190F84-L86 HydrophobicContact CB-CD2 4.28Å; F84-L86 HydrophobicContact CB-CG 4.47Å; L86-S88 PolarHBondContact O-N 3.21Å; L86-L104 HydrophobicContact CD1-CD1 3.21Å; L86-L104 HydrophobicContact CD2-CD1 3.59Å; L86-L104 HydrophobicContact CD2-CD2 4.23Å; L86-L104 HydrophobicContact CD2-CG 4.45Å; L86-L104 HydrophobicContact CG-CD1 4.01Å; L86-I119 HydrophobicContact CD1-CG2 3.81Å; L86-I120 PolarHBondContact N-O 2.8Å; L86-G121 CarbonylContact O-C 3.24Å; L86-G121 WeakPolarHBondContact O-CA 3.46Å; L86-F122 VanDerWaalsContact C-CD1 3.43Å; L86-F122 VanDerWaalsContact C-CE1 3.43Å; L86-F122 WeakPolarHBondContact O-CD1 3.42Å; L86-F122 PolarHBondContact O-N 2.86Å; L86-I148 HydrophobicContact CD1-CG1 4.49Å; L86-M151 HydrophobicContact CD1-CE 3.99Å; L86-M151 HydrophobicContact CD1-SD 4.01Å; L86-L190 HydrophobicContact CD2-CB 4.36Å
87D95.7Very high93.1Very high1 Ų122.5 Ų22.51%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-68.3129.2173.2-163.4-15.5000110.6S89 M92 F122 L190 T191D87-S89 WeakPolarHBondContact OD1-CB 3.23Å; D87-S89 PolarHBondContact OD1-N 2.89Å; D87-S89 PolarHBondContact OD1-OG 3.38Å; D87-S89 PolarHBondContact OD2-OG 2.88Å; D87-M92 HydrophobicContact CB-CG 4.12Å; D87-M92 HydrophobicContact CB-SD 4.48Å; D87-F122 VanDerWaalsContact CA-CE1 3.46Å; D87-F122 HydrophobicContact CB-CE1 3.81Å; D87-F122 HydrophobicContact CB-CE2 4.39Å; D87-F122 HydrophobicContact CB-CZ 3.66Å; D87-F122 VanDerWaalsContact N-CE1 3.25Å; D87-L190 WeakPolarHBondContact CB-O 3.35Å; D87-L190 PolarHBondContact N-O 3.33Å; D87-T191 WeakPolarHBondContact OD2-CB 3.23Å; D87-T191 PolarHBondContact OD2-OG1 3.11Å
88S95.6Very high93.2Very high10 Ų1027.1 Ų27.17%0.0717%0.165CC..  trans-130.529.1176.460.50000110.2L86 F122 P153 T154L86-S88 PolarHBondContact O-N 3.21Å; S88-F122 WeakPolarHBondContact CA-O 3.36Å; S88-F122 PolarHBondContact N-O 2.04Å; S88-F122 PolarHBondContact OG-O 2.97Å; S88-P153 CarbonylContact O-C 3.48Å; S88-P153 WeakPolarHBondContact O-CA 3.34Å; S88-T154 PolarHBondContact O-N 3.17Å
89S95.4Very high93.2Very high1 Ų129 Ų291%0.00717%0.174CC..SBendtrans-68.2167.9170.862.50000111.5D87 S91 M92 P153 G156 T157D87-S89 WeakPolarHBondContact OD1-CB 3.23Å; D87-S89 PolarHBondContact OD1-N 2.89Å; D87-S89 PolarHBondContact OD1-OG 3.38Å; D87-S89 PolarHBondContact OD2-OG 2.88Å; S89-S91 PolarHBondContact O-N 3.06Å; S89-S91 PolarHBondContact OG-OG 2.77Å; S89-M92 WeakPolarHBondContact O-CB 3.39Å; S89-M92 PolarHBondContact O-N 3.33Å; S89-P153 WeakPolarHBondContact O-CB 3.15Å; S89-G156 VanDerWaalsContact CB-O 3.26Å; S89-G156 WeakPolarHBondContact CB-O 3.48Å; S89-T157 WeakPolarHBondContact CB-OG1 3.39Å
90A93.8Very high93.1Very high52 Ų5227.5 Ų27.543%0.4316%0.163SC..G310 helixtrans-63.4-23.2-177.900000113.9M92 V93 G155A90-M92 VanDerWaalsContact C-N 3.26Å; A90-M92 PolarHBondContact O-N 2.98Å; A90-V93 WeakPolarHBondContact O-CG2 3.47Å; A90-V93 PolarHBondContact O-N 3.2Å; A90-G155 PolarHBondContact N-O 2.9Å; A90-G155 VanDerWaalsContact N-O 3.12Å
91S91.6Very high93.2Very high55 Ų5529.1 Ų29.139%0.38517%0.171SC..G310 helixtrans-67.7-26.6177.145.80000113S89 V93 K96 D192S89-S91 PolarHBondContact O-N 3.06Å; S89-S91 PolarHBondContact OG-OG 2.77Å; S91-V93 PolarHBondContact O-N 3.36Å; S91-V93 VanDerWaalsContact O-N 3.14Å; S91-K96 WeakPolarHBondContact O-CE 3.38Å; S91-K96 PolarHBondContact O-NZ 3.14Å; S91-D192 WeakPolarHBondContact CB-OD1 3.41Å; S91-D192 VanDerWaalsContact CB-OD2 3.27Å; S91-D192 WeakPolarHBondContact CB-OD2 3.4Å; S91-D192 VanDerWaalsContact O-OD2 3.05Å; S91-D192 PolarHBondContact OG-OD1 3.42Å; S91-D192 PolarHBondContact OG-OD2 3.37Å
92M91.8Very high93Very high0 Ų033 Ų330%019%0.192CC..G310 helixtrans-73.8-0.1-179.5-69.6-69.9-70.500114D87 S89 A90 K96 L97 L190 D192 I224D87-M92 HydrophobicContact CB-CG 4.12Å; D87-M92 HydrophobicContact CB-SD 4.48Å; S89-M92 WeakPolarHBondContact O-CB 3.39Å; S89-M92 PolarHBondContact O-N 3.33Å; A90-M92 VanDerWaalsContact C-N 3.26Å; A90-M92 PolarHBondContact O-N 2.98Å; M92-K96 HydrophobicContact CE-CB 4.41Å; M92-K96 HydrophobicContact SD-CB 4.31Å; M92-L97 HydrophobicContact CB-CB 4.26Å; M92-L97 WeakPolarHBondContact O-CB 3.24Å; M92-L97 PolarHBondContact O-N 2.91Å; M92-L97 VanDerWaalsContact O-N 3.11Å; M92-L190 HydrophobicContact CE-CD2 3.79Å; M92-D192 WeakPolarHBondContact CG-OD1 3.27Å; M92-D192 PolarHBondContact N-OD2 3.49Å; M92-D192 HydrophobicContact SD-CB 3.54Å; M92-D192 VanDerWaalsContact SD-CB 3.54Å; M92-I224 HydrophobicContact CE-CD1 4.1Å; M92-I224 HydrophobicContact SD-CD1 4.49Å
93V91.8Very high92.8Very high90 Ų9033.1 Ų33.155%0.54519%0.192SC..THydrogen-bonded Turntrans-54143179168.90000111.9A90 S91 P153A90-V93 WeakPolarHBondContact O-CG2 3.47Å; A90-V93 PolarHBondContact O-N 3.2Å; S91-V93 PolarHBondContact O-N 3.36Å; S91-V93 VanDerWaalsContact O-N 3.14Å; V93-P153 HydrophobicContact CB-CG 4.31Å; V93-P153 HydrophobicContact CG2-CB 3.71Å; V93-P153 HydrophobicContact CG2-CG 3.39Å
94G89.6Confident92.6Very high51 Ų5133.5 Ų33.553%0.52619%0.194SC..THydrogen-bonded Turntrans90.2-130.4171.400000113.4R98G94-R98 PolarHBondContact O-N 2.98Å
95T87.9Confident92.5Very high74 Ų7435.8 Ų35.845%0.45420%0.204SC..Hα-helixtrans-67.9-38-171.748.70000112.7R98 Q99T95-R98 PolarHBondContact O-N 3.11Å; T95-Q99 WeakPolarHBondContact O-CB 3.41Å; T95-Q99 WeakPolarHBondContact O-CG 3.31Å; T95-Q99 PolarHBondContact O-N 2.97Å
96K88.3Confident92.2Very high24 Ų2438.7 Ų38.710%0.10422%0.222CC..Hα-helixtrans-54.6-61.3-179-69.6-173.2-84.8-167.60112.2S91 M92 R98 Q99 T100 D192 I224 E249S91-K96 WeakPolarHBondContact O-CE 3.38Å; S91-K96 PolarHBondContact O-NZ 3.14Å; M92-K96 HydrophobicContact CE-CB 4.41Å; M92-K96 HydrophobicContact SD-CB 4.31Å; K96-R98 VanDerWaalsContact C-N 3.31Å; K96-R98 PolarHBondContact O-N 2.89Å; K96-Q99 PolarHBondContact O-N 3.29Å; K96-T100 WeakPolarHBondContact O-CB 3.46Å; K96-T100 PolarHBondContact O-N 3.48Å; K96-T100 PolarHBondContact O-OG1 3.2Å; K96-D192 HydrophobicContact CD-CB 4.16Å; K96-D192 VanDerWaalsContact CE-OD2 3.23Å; K96-D192 WeakPolarHBondContact CE-OD2 3.05Å; K96-D192 IonicContact NZ-OD2 3.09Å; K96-D192 PolarHBondContact NZ-OD2 2.6Å; K96-I224 HydrophobicContact CD-CG2 3.75Å; K96-I224 HydrophobicContact CG-CG2 3.97Å; K96-E249 HydrophobicContact CD-CG 4.4Å; K96-E249 WeakPolarHBondContact CD-OE1 3.08Å; K96-E249 WeakPolarHBondContact CE-OE1 3.21Å; K96-E249 IonicContact NZ-OE1 2.93Å; K96-E249 PolarHBondContact NZ-OE1 2.73Å
97L90.1Very high92.1Very high13 Ų1338.8 Ų38.87%0.06822%0.222CC..Hα-helixtrans-62.3-37.4178.7-178.862.9000112.4M92 T100 K101 P153M92-L97 HydrophobicContact CB-CB 4.26Å; M92-L97 WeakPolarHBondContact O-CB 3.24Å; M92-L97 PolarHBondContact O-N 2.91Å; M92-L97 VanDerWaalsContact O-N 3.11Å; L97-T100 PolarHBondContact O-N 3.47Å; L97-K101 HydrophobicContact CD1-CG 4.31Å; L97-K101 HydrophobicContact CG-CD 4.35Å; L97-K101 HydrophobicContact CG-CG 4.46Å; L97-K101 VanDerWaalsContact O-CG 3.26Å; L97-K101 WeakPolarHBondContact O-CG 3.48Å; L97-K101 PolarHBondContact O-N 2.79Å; L97-P153 HydrophobicContact CD2-CB 4.28Å; L97-P153 HydrophobicContact CD2-CG 4.12Å
98R90.9Very high92.1Very high151 Ų15138.7 Ų38.757%0.5722%0.222SC*.Hα-helixtrans-60.8-51.8177.8-175.3178.864.9-166.60.2111.3G94 T95 K96 T100 K101 D102G94-R98 PolarHBondContact O-N 2.98Å; T95-R98 PolarHBondContact O-N 3.11Å; K96-R98 VanDerWaalsContact C-N 3.31Å; K96-R98 PolarHBondContact O-N 2.89Å; R98-T100 VanDerWaalsContact C-N 3.34Å; R98-T100 PolarHBondContact O-N 3.19Å; R98-K101 PolarHBondContact O-N 3.16Å; R98-D102 PolarHBondContact O-N 2.86Å
99Q89.3Confident91.9Very high41 Ų4144.8 Ų44.819%0.19225%0.249CC..Hα-helixtrans-63.1-39178.5-74172.2-36.400112.2T95 K96 K101 D102 A103 A253T95-Q99 WeakPolarHBondContact O-CB 3.41Å; T95-Q99 WeakPolarHBondContact O-CG 3.31Å; T95-Q99 PolarHBondContact O-N 2.97Å; K96-Q99 PolarHBondContact O-N 3.29Å; Q99-K101 PolarHBondContact O-N 2.72Å; Q99-D102 PolarHBondContact O-N 3.21Å; Q99-A103 WeakPolarHBondContact O-CB 3.46Å; Q99-A103 PolarHBondContact O-N 3.49Å; Q99-A253 HydrophobicContact CB-CB 4.38Å
100T90.3Very high91.7Very high3 Ų347 Ų472%0.01826%0.261CS..Hα-helixtrans-58.6-46.4173.3-62.70000111.8K96 L97 R98 A103 L104 L190K96-T100 WeakPolarHBondContact O-CB 3.46Å; K96-T100 PolarHBondContact O-N 3.48Å; K96-T100 PolarHBondContact O-OG1 3.2Å; L97-T100 PolarHBondContact O-N 3.47Å; R98-T100 VanDerWaalsContact C-N 3.34Å; R98-T100 PolarHBondContact O-N 3.19Å; T100-A103 PolarHBondContact O-N 3.1Å; T100-L104 HydrophobicContact CG2-CD1 3.94Å; T100-L104 WeakPolarHBondContact O-CD1 3.4Å; T100-L104 WeakPolarHBondContact O-CG 3.19Å; T100-L104 PolarHBondContact O-N 3.4Å; T100-L190 HydrophobicContact CG2-CD1 4.47Å; T100-L190 HydrophobicContact CG2-CD2 3.47Å; T100-L190 VanDerWaalsContact CG2-CD2 3.47Å
101K93.3Very high91.8Very high35 Ų3545.1 Ų45.115%0.15224%0.243CC..Hα-helixtrans-61.8-46.4178.1-71.5177.9176.8-173.80111.5L97 R98 Q99 A103 L104 F105 I148 H149 M151L97-K101 HydrophobicContact CD1-CG 4.31Å; L97-K101 HydrophobicContact CG-CD 4.35Å; L97-K101 HydrophobicContact CG-CG 4.46Å; L97-K101 VanDerWaalsContact O-CG 3.26Å; L97-K101 WeakPolarHBondContact O-CG 3.48Å; L97-K101 PolarHBondContact O-N 2.79Å; R98-K101 PolarHBondContact O-N 3.16Å; Q99-K101 PolarHBondContact O-N 2.72Å; K101-A103 PolarHBondContact O-N 2.57Å; K101-L104 PolarHBondContact O-N 3.14Å; K101-F105 WeakPolarHBondContact O-CD1 3.44Å; K101-F105 VanDerWaalsContact O-CG 3.29Å; K101-F105 WeakPolarHBondContact O-CG 3.39Å; K101-F105 PolarHBondContact O-N 2.89Å; K101-I148 HydrophobicContact CB-CG2 3.92Å; K101-I148 HydrophobicContact CD-CG2 4.47Å; K101-I148 WeakPolarHBondContact CE-O 3.44Å; K101-I148 HydrophobicContact CG-CG2 3.66Å; K101-H149 PolarHBondContact NZ-O 3.1Å; K101-M151 WeakPolarHBondContact CE-O 3.18Å; K101-M151 PolarHBondContact NZ-O 2.74Å
102D91.4Very high91.8Very high85 Ų8544.3 Ų44.346%0.45523%0.232SC..Hα-helixtrans-62.2-43.6-179.7-66.2-21.8000111.4R98 Q99 L104 F105 T106R98-D102 PolarHBondContact O-N 2.86Å; Q99-D102 PolarHBondContact O-N 3.21Å; D102-L104 PolarHBondContact O-N 3.39Å; D102-F105 WeakPolarHBondContact O-CB 3.36Å; D102-F105 PolarHBondContact O-N 3.35Å; D102-T106 PolarHBondContact O-N 3Å; D102-T106 PolarHBondContact O-OG1 3.18Å
103A91.5Very high91.8Very high2 Ų248.5 Ų48.52%0.01726%0.259CS..Hα-helixtrans-61.3-43.7175.200000112.2Q99 T100 K101 F105 T106 I107 L257 I258Q99-A103 WeakPolarHBondContact O-CB 3.46Å; Q99-A103 PolarHBondContact O-N 3.49Å; T100-A103 PolarHBondContact O-N 3.1Å; K101-A103 PolarHBondContact O-N 2.57Å; A103-F105 VanDerWaalsContact C-N 3.29Å; A103-F105 PolarHBondContact O-N 3.41Å; A103-T106 WeakPolarHBondContact O-CB 3.42Å; A103-T106 PolarHBondContact O-N 2.87Å; A103-T106 VanDerWaalsContact O-N 3.15Å; A103-I107 WeakPolarHBondContact O-CG1 3.45Å; A103-I107 PolarHBondContact O-N 3.1Å; A103-L257 HydrophobicContact CB-CB 3.79Å; A103-L257 HydrophobicContact CB-CD1 3.9Å; A103-L257 HydrophobicContact CB-CG 4.49Å; A103-I258 HydrophobicContact CB-CG1 4.2Å
104L94.2Very high91.7Very high9 Ų949.8 Ų49.85%0.04726%0.259CS..Hα-helixtrans-66-31.4177.8-73.9163.4000113F84 L86 T100 K101 D102 T106 I107 L108 I148F84-L104 HydrophobicContact CB-CD2 4.38Å; F84-L104 HydrophobicContact CD1-CD2 3.81Å; F84-L104 HydrophobicContact CE1-CD2 4.33Å; F84-L104 HydrophobicContact CG-CD2 4.13Å; L86-L104 HydrophobicContact CD1-CD1 3.21Å; L86-L104 HydrophobicContact CD2-CD1 3.59Å; L86-L104 HydrophobicContact CD2-CD2 4.23Å; L86-L104 HydrophobicContact CD2-CG 4.45Å; L86-L104 HydrophobicContact CG-CD1 4.01Å; T100-L104 HydrophobicContact CG2-CD1 3.94Å; T100-L104 WeakPolarHBondContact O-CD1 3.4Å; T100-L104 WeakPolarHBondContact O-CG 3.19Å; T100-L104 PolarHBondContact O-N 3.4Å; K101-L104 PolarHBondContact O-N 3.14Å; D102-L104 PolarHBondContact O-N 3.39Å; L104-T106 PolarHBondContact O-N 3.3Å; L104-I107 HydrophobicContact CD2-CD1 4.45Å; L104-I107 PolarHBondContact O-N 3.12Å; L104-L108 WeakPolarHBondContact O-CB 3.31Å; L104-L108 VanDerWaalsContact O-CG 3.28Å; L104-L108 WeakPolarHBondContact O-CG 3.48Å; L104-L108 PolarHBondContact O-N 3.29Å; L104-I148 HydrophobicContact CB-CD1 3.97Å; L104-I148 HydrophobicContact CD1-CD1 4.28Å; L104-I148 HydrophobicContact CD1-CG2 4.49Å
105F94.8Very high91.9Very high49 Ų4947.3 Ų47.322%0.21523%0.234CC..Hα-helixtrans-62.8-34.8174-66.4-16.5000112.3K101 D102 A103 K145 I148 H149K101-F105 WeakPolarHBondContact O-CD1 3.44Å; K101-F105 VanDerWaalsContact O-CG 3.29Å; K101-F105 WeakPolarHBondContact O-CG 3.39Å; K101-F105 PolarHBondContact O-N 2.89Å; D102-F105 WeakPolarHBondContact O-CB 3.36Å; D102-F105 PolarHBondContact O-N 3.35Å; A103-F105 VanDerWaalsContact C-N 3.29Å; A103-F105 PolarHBondContact O-N 3.41Å; F105-K145 HydrophobicContact CB-CD 4.46Å; F105-K145 HydrophobicContact CD1-CB 4Å; F105-K145 HydrophobicContact CD1-CD 4.29Å; F105-K145 HydrophobicContact CD1-CG 3.69Å; F105-K145 HydrophobicContact CE1-CB 3.91Å; F105-K145 HydrophobicContact CE1-CG 4.14Å; F105-K145 WeakPolarHBondContact CE1-O 3.12Å; F105-K145 HydrophobicContact CG-CD 4.48Å; F105-K145 HydrophobicContact CG-CG 4.35Å; F105-K145 WeakPolarHBondContact O-CE 3.23Å; F105-K145 PolarHBondContact O-NZ 2.79Å; F105-I148 HydrophobicContact CD1-CG2 4.27Å; F105-I148 HydrophobicContact CE1-CB 3.87Å; F105-I148 HydrophobicContact CE1-CG2 3.6Å; F105-I148 HydrophobicContact CZ-CG2 4.27Å; F105-H149 HydrophobicContact CZ-CB 4.18Å
106T93.1Very high92.3Very high60 Ų6047 Ų4737%0.36823%0.225SC..Hα-helixtrans-70.7-52.1172.2-53.20000110.4D102 A103 L104 L108 H109 D110 I258D102-T106 PolarHBondContact O-N 3Å; D102-T106 PolarHBondContact O-OG1 3.18Å; A103-T106 WeakPolarHBondContact O-CB 3.42Å; A103-T106 PolarHBondContact O-N 2.87Å; A103-T106 VanDerWaalsContact O-N 3.15Å; L104-T106 PolarHBondContact O-N 3.3Å; T106-L108 VanDerWaalsContact C-N 3.32Å; T106-L108 PolarHBondContact O-N 3.46Å; T106-H109 WeakPolarHBondContact O-CA 3.41Å; T106-H109 VanDerWaalsContact O-CB 3.27Å; T106-H109 WeakPolarHBondContact O-CB 3.34Å; T106-H109 PolarHBondContact O-N 3.32Å; T106-D110 PolarHBondContact O-N 2.78Å; T106-I258 HydrophobicContact CG2-CD1 4.05Å; T106-I258 HydrophobicContact CG2-CG1 4.39Å
107I94.3Very high92.7Very high8 Ų845.9 Ų45.94%0.04122%0.22CC..Hα-helixtrans-56.8-42.6-179-69.8166.6000112.3F84 A103 L104 H109 D110 L111 Y261F84-I107 HydrophobicContact CE1-CG2 3.61Å; F84-I107 HydrophobicContact CZ-CG2 3.52Å; A103-I107 WeakPolarHBondContact O-CG1 3.45Å; A103-I107 PolarHBondContact O-N 3.1Å; L104-I107 HydrophobicContact CD2-CD1 4.45Å; L104-I107 PolarHBondContact O-N 3.12Å; I107-H109 PolarHBondContact O-N 3.27Å; I107-D110 PolarHBondContact O-N 2.87Å; I107-D110 VanDerWaalsContact O-N 3.17Å; I107-L111 PolarHBondContact O-N 2.8Å; I107-Y261 HydrophobicContact CB-CD1 4.25Å; I107-Y261 HydrophobicContact CB-CE1 4.46Å; I107-Y261 HydrophobicContact CB-CG 4.41Å; I107-Y261 HydrophobicContact CD1-CG 4.11Å; I107-Y261 HydrophobicContact CG1-CD1 3.89Å; I107-Y261 HydrophobicContact CG1-CG 3.84Å; I107-Y261 HydrophobicContact CG2-CD1 3.8Å; I107-Y261 HydrophobicContact CG2-CD2 3.75Å; I107-Y261 HydrophobicContact CG2-CE1 3.72Å; I107-Y261 HydrophobicContact CG2-CE2 3.68Å; I107-Y261 HydrophobicContact CG2-CG 3.81Å
108L94.9Very high93Very high0 Ų045.3 Ų45.30%022%0.216CC..Hα-helixtrans-64.3-29.6177.3-74.4-173.2000112.7F84 L104 T106 D110 L111 F117 I119 I141 K145 I148F84-L108 HydrophobicContact CD2-CD2 4.33Å; F84-L108 HydrophobicContact CE2-CD2 3.95Å; L104-L108 WeakPolarHBondContact O-CB 3.31Å; L104-L108 VanDerWaalsContact O-CG 3.28Å; L104-L108 WeakPolarHBondContact O-CG 3.48Å; L104-L108 PolarHBondContact O-N 3.29Å; T106-L108 VanDerWaalsContact C-N 3.32Å; T106-L108 PolarHBondContact O-N 3.46Å; L108-D110 VanDerWaalsContact C-N 3.32Å; L108-L111 HydrophobicContact CD2-CD1 3.66Å; L108-F117 HydrophobicContact CD2-CD2 3.71Å; L108-F117 HydrophobicContact CD2-CE2 3.65Å; L108-I119 HydrophobicContact CD1-CD1 4.15Å; L108-I141 HydrophobicContact CB-CD1 4.29Å; L108-I141 HydrophobicContact CB-CG2 4.34Å; L108-I141 WeakPolarHBondContact O-CD1 3.27Å; L108-K145 HydrophobicContact CD1-CG 4.13Å; L108-I148 HydrophobicContact CD1-CD1 3.62Å; L108-I148 HydrophobicContact CG-CD1 4.45Å
109H92.2Very high93.4Very high137 Ų13738.1 Ų38.163%0.63419%0.189SC*.Hα-helixtrans-70.9-31.5175.9-173.460.7000112.1T106 I107 L111T106-H109 WeakPolarHBondContact O-CA 3.41Å; T106-H109 VanDerWaalsContact O-CB 3.27Å; T106-H109 WeakPolarHBondContact O-CB 3.34Å; T106-H109 PolarHBondContact O-N 3.32Å; I107-H109 PolarHBondContact O-N 3.27Å; H109-L111 VanDerWaalsContact C-N 3.3Å; H109-L111 PolarHBondContact O-N 3.02Å
110D91.4Very high93.8Very high49 Ų4936.1 Ų36.126%0.26218%0.18SC..THydrogen-bonded Turntrans-83.8-0.8-178.3-66.2-33.5000114.2T106 I107 L108 Y261T106-D110 PolarHBondContact O-N 2.78Å; I107-D110 PolarHBondContact O-N 2.87Å; I107-D110 VanDerWaalsContact O-N 3.17Å; L108-D110 VanDerWaalsContact C-N 3.32Å; D110-Y261 HydrophobicContact CB-CE1 4.48Å
111L94.5Very high94.1Very high11 Ų1136.1 Ų36.16%0.05818%0.181CC..  trans-67.4138.4172.7-69.1174.7000110.7V82 F84 I107 L108 H109 F117 V136 I141 Y261V82-L111 HydrophobicContact CG1-CD2 3.88Å; F84-L111 HydrophobicContact CE2-CD1 4.42Å; I107-L111 PolarHBondContact O-N 2.8Å; L108-L111 HydrophobicContact CD2-CD1 3.66Å; H109-L111 VanDerWaalsContact C-N 3.3Å; H109-L111 PolarHBondContact O-N 3.02Å; L111-F117 HydrophobicContact CD1-CB 3.96Å; L111-F117 HydrophobicContact CD1-CD1 3.9Å; L111-F117 HydrophobicContact CD1-CD2 4.08Å; L111-F117 HydrophobicContact CD1-CE1 4.43Å; L111-F117 HydrophobicContact CD1-CG 3.71Å; L111-V136 HydrophobicContact CB-CG1 3.97Å; L111-V136 HydrophobicContact CB-CG2 3.78Å; L111-V136 HydrophobicContact CD1-CG2 4.17Å; L111-I141 HydrophobicContact CD1-CD1 4.13Å; L111-Y261 WeakPolarHBondContact CD2-OH 3.42Å
112R92.9Very high94.3Very high39 Ų3934.5 Ų34.515%0.14717%0.174CC..  trans-87153.8-179.4-61.2168.6-64159.2-2110.9P77 L78 Q114 D115 V136P77-R112 PolarHBondContact O-NH1 2.9Å; L78-R112 PolarHBondContact O-NH1 2.91Å; L78-R112 PolarHBondContact O-NH2 2.83Å; R112-Q114 PolarHBondContact O-N 3.32Å; R112-Q114 VanDerWaalsContact O-N 3.07Å; R112-D115 WeakPolarHBondContact CB-OD2 3.09Å; R112-D115 IonicContact CZ-OD1 3.72Å; R112-D115 IonicContact CZ-OD2 3Å; R112-D115 PolarHBondContact N-OD2 2.69Å; R112-D115 IonicContact NE-OD1 2.69Å; R112-D115 IonicContact NE-OD2 3.59Å; R112-D115 PolarHBondContact NE-OD2 3.38Å; R112-D115 IonicContact NH2-OD1 3.45Å; R112-D115 PolarHBondContact NH2-OD1 2.88Å; R112-D115 IonicContact NH2-OD2 2.88Å; R112-D115 VanDerWaalsContact O-CB 3.29Å; R112-D115 WeakPolarHBondContact O-CB 3.4Å; R112-D115 PolarHBondContact O-N 3.31Å; R112-V136 VanDerWaalsContact O-CB 3.28Å; R112-V136 WeakPolarHBondContact O-CB 3.36Å; R112-V136 WeakPolarHBondContact O-CG2 3.48Å
113P91.9Very high94.6Very high88 Ų8830.6 Ų30.657%0.57115%0.153SC*.THydrogen-bonded Turntrans-56-28178.9-26.935.4000115D115P113-D115 VanDerWaalsContact C-N 3.31Å
114Q89.4Confident94.6Very high116 Ų11634 Ų3454%0.54217%0.171SC..THydrogen-bonded Turntrans-79.5-15.5178.9-56.373.822.100112.5P79 R112P79-Q114 HydrophobicContact CB-CB 4.43Å; P79-Q114 HydrophobicContact CG-CB 4.37Å; R112-Q114 PolarHBondContact O-N 3.32Å; R112-Q114 VanDerWaalsContact O-N 3.07Å
115D93.7Very high94.6Very high0 Ų042 Ų420%020%0.201CC..  trans-76.8162-180-61.4-29.1000111.2K80 R112 P113 V136K80-D115 HydrophobicContact CG-CB 4.23Å; K80-D115 WeakPolarHBondContact CG-OD1 3.03Å; K80-D115 PolarHBondContact N-OD1 3.31Å; K80-D115 IonicContact NZ-OD2 3.39Å; K80-D115 PolarHBondContact NZ-OD2 2.84Å; K80-D115 WeakPolarHBondContact O-CA 3.46Å; K80-D115 WeakPolarHBondContact O-CB 3.17Å; R112-D115 WeakPolarHBondContact CB-OD2 3.09Å; R112-D115 IonicContact CZ-OD1 3.72Å; R112-D115 IonicContact CZ-OD2 3Å; R112-D115 PolarHBondContact N-OD2 2.69Å; R112-D115 IonicContact NE-OD1 2.69Å; R112-D115 IonicContact NE-OD2 3.59Å; R112-D115 PolarHBondContact NE-OD2 3.38Å; R112-D115 IonicContact NH2-OD1 3.45Å; R112-D115 PolarHBondContact NH2-OD1 2.88Å; R112-D115 IonicContact NH2-OD2 2.88Å; R112-D115 VanDerWaalsContact O-CB 3.29Å; R112-D115 WeakPolarHBondContact O-CB 3.4Å; R112-D115 PolarHBondContact O-N 3.31Å; P113-D115 VanDerWaalsContact C-N 3.31Å; D115-V136 HydrophobicContact CB-CG2 4.07Å; D115-V136 WeakPolarHBondContact O-CG2 3.41Å; D115-V136 PolarHBondContact O-N 3.32Å
116R95Very high94.7Very high68 Ų6842.4 Ų42.426%0.25720%0.204SC..EExtended strand (participates in β ladder)trans-126.9140.3173.9-66.8-68.4-167.4-11912.2109.1K80 N81 V82 L133 I134 S135 Y173K80-R116 PolarHBondContact O-N 3.26Å; N81-R116 CarbonylContact C-O 3.5Å; N81-R116 WeakPolarHBondContact CA-O 3.31Å; V82-R116 PolarHBondContact N-O 3.37Å; R116-L133 HydrophobicContact CB-CB 4.05Å; R116-L133 HydrophobicContact CB-CD1 4.15Å; R116-I134 WeakPolarHBondContact CA-O 3.37Å; R116-S135 VanDerWaalsContact NH1-CA 3.33Å; R116-S135 PolarHBondContact NH1-OG 2.79Å; R116-S135 PolarHBondContact NH2-OG 3.39Å; R116-Y173 HydrophobicContact CG-CE1 4.41Å; R116-Y173 HydrophobicContact CG-CE2 4.34Å; R116-Y173 PolarHBondContact NE-OH 2.98Å
117F97.3Very high94.8Very high0 Ų045.7 Ų45.70%021%0.213CC..EExtended strand (participates in β ladder)trans-142.4159.8-179.679-71.1000114.7V82 F84 L108 L111 I119 W129 I134 V136 I141V82-F117 HydrophobicContact CG1-CB 3.79Å; V82-F117 CarbonylContact O-C 3.55Å; V82-F117 WeakPolarHBondContact O-CA 3.25Å; F84-F117 HydrophobicContact CE2-CB 4.47Å; L108-F117 HydrophobicContact CD2-CD2 3.71Å; L108-F117 HydrophobicContact CD2-CE2 3.65Å; L111-F117 HydrophobicContact CD1-CB 3.96Å; L111-F117 HydrophobicContact CD1-CD1 3.9Å; L111-F117 HydrophobicContact CD1-CD2 4.08Å; L111-F117 HydrophobicContact CD1-CE1 4.43Å; L111-F117 HydrophobicContact CD1-CG 3.71Å; F117-I119 HydrophobicContact CD2-CD1 4.45Å; F117-I119 HydrophobicContact CD2-CG1 4.27Å; F117-I119 HydrophobicContact CE2-CD1 4.04Å; F117-I119 HydrophobicContact CE2-CG1 4.35Å; F117-W129 HydrophobicContact CD2-CZ3 4.18Å; F117-W129 HydrophobicContact CE1-CZ3 4.42Å; F117-W129 HydrophobicContact CE2-CE3 4.27Å; F117-W129 HydrophobicContact CE2-CH2 4.03Å; F117-W129 AromaticContact CE2-CZ3 3.39Å; F117-W129 HydrophobicContact CE2-CZ3 3.39Å; F117-W129 AromaticContact CZ-CH2 3.77Å; F117-W129 HydrophobicContact CZ-CH2 3.77Å; F117-W129 AromaticContact CZ-CZ3 3.54Å; F117-W129 HydrophobicContact CZ-CZ3 3.54Å; F117-I134 PolarHBondContact N-O 3.14Å; F117-I134 PolarHBondContact O-N 2.94Å; F117-V136 HydrophobicContact CD1-CG2 3.73Å; F117-V136 HydrophobicContact CE1-CG2 4.11Å; F117-I141 HydrophobicContact CE1-CD1 3.85Å; F117-I141 HydrophobicContact CZ-CD1 3.77Å
118S97.6Very high94.9Very high0 Ų047 Ų470%022%0.222CC..EExtended strand (participates in β ladder)trans-147.4162.7165.2-1700000110.1V82 V83 F84V82-S118 PolarHBondContact O-N 2.94Å; V82-S118 VanDerWaalsContact O-N 3.07Å; V83-S118 WeakPolarHBondContact CA-O 3.48Å; F84-S118 PolarHBondContact N-O 3.27Å
119I98.3Very high95Very high0 Ų048.8 Ų48.80%023%0.229CC..EExtended strand (participates in β ladder)trans-128.1129.5-176.8-53.8157.6000108.1F84 L86 L108 F117 W129 Y147 I148 M151F84-I119 WeakPolarHBondContact O-CA 3.41Å; L86-I119 HydrophobicContact CD1-CG2 3.81Å; L108-I119 HydrophobicContact CD1-CD1 4.15Å; F117-I119 HydrophobicContact CD2-CD1 4.45Å; F117-I119 HydrophobicContact CD2-CG1 4.27Å; F117-I119 HydrophobicContact CE2-CD1 4.04Å; F117-I119 HydrophobicContact CE2-CG1 4.35Å; I119-W129 HydrophobicContact CB-CB 4.31Å; I119-W129 HydrophobicContact CD1-CD2 4.46Å; I119-W129 HydrophobicContact CD1-CE3 3.96Å; I119-W129 HydrophobicContact CD1-CZ3 4.33Å; I119-W129 HydrophobicContact CG1-CE3 4.27Å; I119-W129 WeakPolarHBondContact O-CB 2.93Å; I119-W129 PolarHBondContact O-N 2.82Å; I119-Y147 HydrophobicContact CB-CD1 4.08Å; I119-Y147 HydrophobicContact CB-CE1 4.09Å; I119-Y147 HydrophobicContact CD1-CD1 4.47Å; I119-Y147 HydrophobicContact CG2-CD1 3.94Å; I119-Y147 HydrophobicContact CG2-CE1 3.83Å; I119-I148 HydrophobicContact CD1-CD1 3.74Å; I119-I148 HydrophobicContact CD1-CG1 3.99Å; I119-I148 HydrophobicContact CG2-CG1 4.09Å; I119-M151 HydrophobicContact CG2-CE 3.62Å
120I98.2Very high95.1Very high0 Ų046.7 Ų46.70%022%0.218CC..EExtended strand (participates in β ladder)trans-120.5123175.8-59.6-175.4000107.7V83 F84 V85 L86 I126 K127 V128 R165 A166 L169V83-I120 HydrophobicContact CG1-CD1 3.84Å; V83-I120 HydrophobicContact CG1-CG1 3.94Å; F84-I120 PolarHBondContact O-N 2.82Å; V85-I120 WeakPolarHBondContact CA-O 3.38Å; V85-I120 HydrophobicContact CG1-CG2 4.49Å; V85-I120 HydrophobicContact CG2-CB 4.41Å; L86-I120 PolarHBondContact N-O 2.8Å; I120-I126 HydrophobicContact CG2-CG2 3.69Å; I120-K127 WeakPolarHBondContact CA-O 3.46Å; I120-V128 HydrophobicContact CD1-CG2 4.23Å; I120-V128 HydrophobicContact CG1-CG1 4.37Å; I120-V128 HydrophobicContact CG1-CG2 4.15Å; I120-R165 HydrophobicContact CD1-CB 4.34Å; I120-R165 HydrophobicContact CD1-CG 4.15Å; I120-A166 HydrophobicContact CD1-CB 3.9Å; I120-L169 HydrophobicContact CD1-CD1 3.97Å; I120-L169 HydrophobicContact CG1-CD1 4.45Å
121G97.3Very high95.1Very high3 Ų348.8 Ų48.83%0.03123%0.229CC..EExtended strand (participates in β ladder)trans-98.7130.9165.800000108.5L86 K127L86-G121 CarbonylContact O-C 3.24Å; L86-G121 WeakPolarHBondContact O-CA 3.46Å; G121-K127 PolarHBondContact N-O 2.83Å; G121-K127 PolarHBondContact O-N 3.31Å
122F97.3Very high95Very high0 Ų052.8 Ų52.80%025%0.247CC..EExtended strand (participates in β ladder)trans-128.7151.2-179.977.7-82.6000112.5V85 L86 D87 S88 I126 T157 D158 I159 A162 F189V85-F122 HydrophobicContact CG1-CD1 3.63Å; V85-F122 HydrophobicContact CG1-CE1 3.85Å; L86-F122 VanDerWaalsContact C-CD1 3.43Å; L86-F122 VanDerWaalsContact C-CE1 3.43Å; L86-F122 WeakPolarHBondContact O-CD1 3.42Å; L86-F122 PolarHBondContact O-N 2.86Å; D87-F122 VanDerWaalsContact CA-CE1 3.46Å; D87-F122 HydrophobicContact CB-CE1 3.81Å; D87-F122 HydrophobicContact CB-CE2 4.39Å; D87-F122 HydrophobicContact CB-CZ 3.66Å; D87-F122 VanDerWaalsContact N-CE1 3.25Å; S88-F122 WeakPolarHBondContact CA-O 3.36Å; S88-F122 PolarHBondContact N-O 2.04Å; S88-F122 PolarHBondContact OG-O 2.97Å; F122-I126 HydrophobicContact CB-CG1 4.25Å; F122-T157 HydrophobicContact CE2-CG2 3.71Å; F122-T157 HydrophobicContact CZ-CG2 4.48Å; F122-D158 WeakPolarHBondContact CD2-O 3.09Å; F122-I159 HydrophobicContact CE2-CG1 4.21Å; F122-A162 HydrophobicContact CB-CB 3.66Å; F122-A162 HydrophobicContact CD1-CB 3.89Å; F122-A162 HydrophobicContact CD2-CB 3.92Å; F122-A162 HydrophobicContact CG-CB 3.55Å; F122-F189 AromaticContact CE1-CE2 3.79Å; F122-F189 HydrophobicContact CE1-CE2 3.79Å; F122-F189 AromaticContact CE1-CZ 3.79Å; F122-F189 HydrophobicContact CE1-CZ 3.79Å; F122-F189 HydrophobicContact CE2-CZ 4.13Å; F122-F189 HydrophobicContact CZ-CE1 4.18Å; F122-F189 AromaticContact CZ-CE2 3.83Å; F122-F189 HydrophobicContact CZ-CE2 3.83Å; F122-F189 AromaticContact CZ-CZ 3.37Å; F122-F189 HydrophobicContact CZ-CZ 3.37Å
123S96.4Very high95.1Very high4 Ų451.4 Ų51.43%0.02824%0.243CC..SBendtrans-156.6-123.7172.355.80000108.3R125 T154 G156 D158S123-R125 PolarHBondContact N-O 2.88Å; S123-R125 PolarHBondContact O-N 2.87Å; S123-R125 PolarHBondContact OG-N 2.83Å; S123-T154 WeakPolarHBondContact CB-O 3.34Å; S123-T154 PolarHBondContact OG-O 3.03Å; S123-G156 CarbonylContact C-O 3.48Å; S123-G156 WeakPolarHBondContact CA-O 3.48Å; S123-G156 VanDerWaalsContact CB-O 3.26Å; S123-G156 WeakPolarHBondContact CB-O 3.39Å; S123-D158 WeakPolarHBondContact O-CB 3.45Å; S123-D158 PolarHBondContact O-N 2.91Å
124N92.6Very high95.2Very high73 Ų7348.6 Ų48.639%0.3922%0.222SC..SBendtrans-75.3-10.3162.169.1-42.4000112.6G156 V197N124-G156 PolarHBondContact N-O 3.1Å; N124-G156 VanDerWaalsContact N-O 3.08Å; N124-V197 HydrophobicContact CB-CG1 4.24Å; N124-V197 HydrophobicContact CB-CG2 4.01Å
125R93.5Very high95.5Very high178 Ų17845.2 Ų45.267%0.67221%0.212SC*.SBendtrans-128.4144.3172.4-61.6-174.4-177.4-163.42109.4S123S123-R125 PolarHBondContact N-O 2.88Å; S123-R125 PolarHBondContact O-N 2.87Å; S123-R125 PolarHBondContact OG-N 2.83Å
126I96.4Very high95.6Very high57 Ų5746 Ų4629%0.29222%0.217SC..EExtended strand (participates in β ladder)trans-101.7112.9177.4-60.5152.8000108.1I120 F122 V128 R165I120-I126 HydrophobicContact CG2-CG2 3.69Å; F122-I126 HydrophobicContact CB-CG1 4.25Å; I126-V128 HydrophobicContact CG2-CG2 4.3Å; I126-R165 HydrophobicContact CG2-CB 4.22Å; I126-R165 HydrophobicContact CG2-CG 4.2Å
127K96.4Very high95.7Very high128 Ų12845.6 Ų45.656%0.55722%0.222SC*.EExtended strand (participates in β ladder)trans-103.9118.9177-65.3179.8-178.1173.50108.9I120 G121 Y147I120-K127 WeakPolarHBondContact CA-O 3.46Å; G121-K127 PolarHBondContact N-O 2.83Å; G121-K127 PolarHBondContact O-N 3.31Å; K127-Y147 VanDerWaalsContact C-OH 3.26Å; K127-Y147 WeakPolarHBondContact CB-OH 3.32Å; K127-Y147 PolarHBondContact O-OH 2.84Å
128V96.6Very high95.6Very high37 Ų3751.1 Ų51.122%0.22426%0.257CS..EExtended strand (participates in β ladder)trans-103.2127.9177.6-178.90000107.7I120 I126 K130 R165 L169I120-V128 HydrophobicContact CD1-CG2 4.23Å; I120-V128 HydrophobicContact CG1-CG1 4.37Å; I120-V128 HydrophobicContact CG1-CG2 4.15Å; I126-V128 HydrophobicContact CG2-CG2 4.3Å; V128-K130 WeakPolarHBondContact CG1-O 3.28Å; V128-R165 HydrophobicContact CG2-CG 3.6Å; V128-L169 HydrophobicContact CG1-CD1 3.87Å
129W96.4Very high95.6Very high37 Ų3755.3 Ų55.314%0.1428%0.28CS..SBendtrans-60.2-49.9-179.1176.338000112.7F117 I119 I134 S140 D143 G144 Y147F117-W129 HydrophobicContact CD2-CZ3 4.18Å; F117-W129 HydrophobicContact CE1-CZ3 4.42Å; F117-W129 HydrophobicContact CE2-CE3 4.27Å; F117-W129 HydrophobicContact CE2-CH2 4.03Å; F117-W129 AromaticContact CE2-CZ3 3.39Å; F117-W129 HydrophobicContact CE2-CZ3 3.39Å; F117-W129 AromaticContact CZ-CH2 3.77Å; F117-W129 HydrophobicContact CZ-CH2 3.77Å; F117-W129 AromaticContact CZ-CZ3 3.54Å; F117-W129 HydrophobicContact CZ-CZ3 3.54Å; I119-W129 HydrophobicContact CB-CB 4.31Å; I119-W129 HydrophobicContact CD1-CD2 4.46Å; I119-W129 HydrophobicContact CD1-CE3 3.96Å; I119-W129 HydrophobicContact CD1-CZ3 4.33Å; I119-W129 HydrophobicContact CG1-CE3 4.27Å; I119-W129 WeakPolarHBondContact O-CB 2.93Å; I119-W129 PolarHBondContact O-N 2.82Å; W129-I134 HydrophobicContact CZ3-CB 4.45Å; W129-I134 HydrophobicContact CZ3-CG1 4.22Å; W129-S140 VanDerWaalsContact CH2-O 3.25Å; W129-S140 WeakPolarHBondContact CH2-O 3.43Å; W129-D143 HydrophobicContact CZ2-CB 3.79Å; W129-G144 VanDerWaalsContact CZ2-N 3.3Å; W129-Y147 HydrophobicContact CB-CD1 3.66Å; W129-Y147 HydrophobicContact CB-CD2 4.14Å; W129-Y147 HydrophobicContact CB-CE1 3.61Å; W129-Y147 HydrophobicContact CB-CE2 4.11Å; W129-Y147 HydrophobicContact CB-CG 3.93Å; W129-Y147 AromaticContact CD1-CD2 3.6Å; W129-Y147 AromaticContact CD1-CG 3.48Å; W129-Y147 VanDerWaalsContact CD1-CG 3.48Å; W129-Y147 AromaticContact CG-CD1 3.88Å; W129-Y147 HydrophobicContact CG-CD1 3.88Å; W129-Y147 HydrophobicContact CG-CD2 4.12Å; W129-Y147 HydrophobicContact CG-CE1 4.32Å; W129-Y147 AromaticContact CG-CG 3.76Å; W129-Y147 HydrophobicContact CG-CG 3.76Å
130K94.1Very high95.5Very high92 Ų9255.8 Ų55.840%0.428%0.283SS..  trans-140.3143.4176.6-62.1-67.8-177.5176.60109.6V128 H132 I134V128-K130 WeakPolarHBondContact CG1-O 3.28Å; K130-H132 PolarHBondContact O-N 2.94Å; K130-H132 VanDerWaalsContact O-N 3.14Å; K130-I134 HydrophobicContact CB-CD1 3.9Å; K130-I134 HydrophobicContact CB-CG1 3.98Å; K130-I134 HydrophobicContact CG-CD1 3.91Å; K130-I134 HydrophobicContact CG-CG1 3.94Å
131D91.4Very high95.5Very high94 Ų9456.6 Ų56.650%0.50329%0.288SS..SBendtrans-776.5-174.372.8-31.9000114.8L169D131-L169 VanDerWaalsContact O-CD2 3.26Å; D131-L169 WeakPolarHBondContact O-CD2 3.22Å
132H92.7Very high95.4Very high95 Ų9562.4 Ų62.444%0.4431%0.308SS..SBendtrans-145.6165.9175.956.6-80.5000109.9K130 I134K130-H132 PolarHBondContact O-N 2.94Å; K130-H132 VanDerWaalsContact O-N 3.14Å; H132-I134 VanDerWaalsContact NE2-CD1 3.26Å; H132-I134 WeakPolarHBondContact NE2-CD1 3.27Å
133L94.4Very high95.4Very high10 Ų1065.8 Ų65.85%0.05233%0.327CS..  trans-74.1140.5173.2-61.1-179.6000110.6N81 V83 R116 L170 Y173N81-L133 HydrophobicContact CB-CD1 3.76Å; V83-L133 HydrophobicContact CG2-CD2 3.85Å; R116-L133 HydrophobicContact CB-CB 4.05Å; R116-L133 HydrophobicContact CB-CD1 4.15Å; L133-L170 HydrophobicContact CD1-CD2 4.1Å; L133-L170 HydrophobicContact CD2-CD2 4.42Å; L133-Y173 HydrophobicContact CB-CD2 4.31Å; L133-Y173 HydrophobicContact CD1-CD1 3.79Å; L133-Y173 HydrophobicContact CD1-CD2 4.12Å; L133-Y173 HydrophobicContact CD1-CE1 4.49Å; L133-Y173 HydrophobicContact CD1-CG 3.58Å; L133-Y173 HydrophobicContact CG-CG 4.33Å
134I95.1Very high95.4Very high28 Ų2865.6 Ų65.614%0.14433%0.325CS..EExtended strand (participates in β ladder)trans-107.3141-175.3-54.4-63.3000110.3R116 F117 W129 K130 H132R116-I134 WeakPolarHBondContact CA-O 3.37Å; F117-I134 PolarHBondContact N-O 3.14Å; F117-I134 PolarHBondContact O-N 2.94Å; W129-I134 HydrophobicContact CZ3-CB 4.45Å; W129-I134 HydrophobicContact CZ3-CG1 4.22Å; K130-I134 HydrophobicContact CB-CD1 3.9Å; K130-I134 HydrophobicContact CB-CG1 3.98Å; K130-I134 HydrophobicContact CG-CD1 3.91Å; K130-I134 HydrophobicContact CG-CG1 3.94Å; H132-I134 VanDerWaalsContact NE2-CD1 3.26Å; H132-I134 WeakPolarHBondContact NE2-CD1 3.27Å
135S94.4Very high95.6Very high46 Ų4665.1 Ų65.132%0.32232%0.319SS..EExtended strand (participates in β ladder)trans-62.3139.6169.7-48.60000111.6R116 T137 S140R116-S135 VanDerWaalsContact NH1-CA 3.33Å; R116-S135 PolarHBondContact NH1-OG 2.79Å; R116-S135 PolarHBondContact NH2-OG 3.39Å; S135-T137 PolarHBondContact O-N 3.04Å; S135-S140 WeakPolarHBondContact O-CB 3.29Å; S135-S140 PolarHBondContact O-OG 2.62Å
136V96.2Very high95.8Very high16 Ų1660.1 Ų60.110%0.09731%0.309CS..  trans-74109.9174.5175.90000109.7L111 R112 D115 F117 I141L111-V136 HydrophobicContact CB-CG1 3.97Å; L111-V136 HydrophobicContact CB-CG2 3.78Å; L111-V136 HydrophobicContact CD1-CG2 4.17Å; R112-V136 VanDerWaalsContact O-CB 3.28Å; R112-V136 WeakPolarHBondContact O-CB 3.36Å; R112-V136 WeakPolarHBondContact O-CG2 3.48Å; D115-V136 HydrophobicContact CB-CG2 4.07Å; D115-V136 WeakPolarHBondContact O-CG2 3.41Å; D115-V136 PolarHBondContact O-N 3.32Å; F117-V136 HydrophobicContact CD1-CG2 3.73Å; F117-V136 HydrophobicContact CE1-CG2 4.11Å; V136-I141 HydrophobicContact CG1-CD1 4.08Å; V136-I141 HydrophobicContact CG1-CG1 4.19Å
137T96.8Very high95.8Very high59 Ų5959.6 Ų59.636%0.36230%0.303SS..  trans-135.9158.3174.469.90000109S135 D139 S140 I141S135-T137 PolarHBondContact O-N 3.04Å; T137-D139 PolarHBondContact O-N 2.99Å; T137-D139 VanDerWaalsContact O-N 3.17Å; T137-S140 PolarHBondContact N-OG 3.02Å; T137-S140 PolarHBondContact O-N 2.71Å; T137-S140 VanDerWaalsContact O-N 3.13Å; T137-S140 PolarHBondContact O-OG 3.35Å; T137-S140 VanDerWaalsContact O-OG 3.13Å; T137-S140 PolarHBondContact OG1-N 2.85Å; T137-S140 VanDerWaalsContact OG1-N 3.11Å; T137-S140 PolarHBondContact OG1-OG 2.78Å; T137-I141 WeakPolarHBondContact O-CG1 3.39Å; T137-I141 PolarHBondContact O-N 2.86Å
138P95.9Very high95.8Very high116 Ų11653.5 Ų53.575%0.75328%0.277SS*.Hα-helixtrans-53.5-37.9176.8-27.936.2000113.2R142P138-R142 PolarHBondContact O-N 2.78Å; P138-R142 VanDerWaalsContact O-N 3.1Å
139D96.8Very high95.8Very high89 Ų8957.3 Ų57.348%0.47629%0.292SS..Hα-helixtrans-68-47.3176.4-68.3-43.5000112.6T137 I141 R142 D143T137-D139 PolarHBondContact O-N 2.99Å; T137-D139 VanDerWaalsContact O-N 3.17Å; D139-I141 VanDerWaalsContact C-N 3.31Å; D139-I141 PolarHBondContact O-N 3.42Å; D139-R142 PolarHBondContact O-N 3.3Å; D139-R142 IonicContact OD1-CZ 3.29Å; D139-R142 IonicContact OD1-NH1 2.8Å; D139-R142 PolarHBondContact OD1-NH1 2.76Å; D139-R142 IonicContact OD1-NH2 3.75Å; D139-R142 PolarHBondContact OD1-NH2 2.85Å; D139-D143 WeakPolarHBondContact O-CB 3.48Å; D139-D143 VanDerWaalsContact O-CG 3.22Å; D139-D143 PolarHBondContact O-N 2.81Å
140S96.8Very high95.7Very high9 Ų961.9 Ų61.96%0.06332%0.315CS..Hα-helixtrans-66.8-34.6-179.770.80000112.1W129 S135 T137 D143 G144W129-S140 VanDerWaalsContact CH2-O 3.25Å; W129-S140 WeakPolarHBondContact CH2-O 3.43Å; S135-S140 WeakPolarHBondContact O-CB 3.29Å; S135-S140 PolarHBondContact O-OG 2.62Å; T137-S140 PolarHBondContact N-OG 3.02Å; T137-S140 PolarHBondContact O-N 2.71Å; T137-S140 VanDerWaalsContact O-N 3.13Å; T137-S140 PolarHBondContact O-OG 3.35Å; T137-S140 VanDerWaalsContact O-OG 3.13Å; T137-S140 PolarHBondContact OG1-N 2.85Å; T137-S140 VanDerWaalsContact OG1-N 3.11Å; T137-S140 PolarHBondContact OG1-OG 2.78Å; S140-D143 PolarHBondContact O-N 3.29Å; S140-G144 PolarHBondContact O-N 2.91Å
141I97.1Very high95.7Very high18 Ų1858.3 Ų58.39%0.09230%0.3CS..Hα-helixtrans-63.7-46.9172.7-66-49.1000110.9L108 L111 F117 V136 T137 D139 D143 G144 K145L108-I141 HydrophobicContact CB-CD1 4.29Å; L108-I141 HydrophobicContact CB-CG2 4.34Å; L108-I141 WeakPolarHBondContact O-CD1 3.27Å; L111-I141 HydrophobicContact CD1-CD1 4.13Å; F117-I141 HydrophobicContact CE1-CD1 3.85Å; F117-I141 HydrophobicContact CZ-CD1 3.77Å; V136-I141 HydrophobicContact CG1-CD1 4.08Å; V136-I141 HydrophobicContact CG1-CG1 4.19Å; T137-I141 WeakPolarHBondContact O-CG1 3.39Å; T137-I141 PolarHBondContact O-N 2.86Å; D139-I141 VanDerWaalsContact C-N 3.31Å; D139-I141 PolarHBondContact O-N 3.42Å; I141-D143 PolarHBondContact O-N 3.46Å; I141-G144 PolarHBondContact O-N 2.8Å; I141-K145 HydrophobicContact CG2-CD 4.38Å; I141-K145 WeakPolarHBondContact O-CG 3.38Å; I141-K145 PolarHBondContact O-N 3Å
142R96.7Very high95.7Very high125 Ų12557.4 Ų57.447%0.47230%0.301SS..Hα-helixtrans-58.7-48.7176.1-179.1-168.760.7-118.1-9.7111.1P138 D139 G144 K145 V146P138-R142 PolarHBondContact O-N 2.78Å; P138-R142 VanDerWaalsContact O-N 3.1Å; D139-R142 PolarHBondContact O-N 3.3Å; D139-R142 IonicContact OD1-CZ 3.29Å; D139-R142 IonicContact OD1-NH1 2.8Å; D139-R142 PolarHBondContact OD1-NH1 2.76Å; D139-R142 IonicContact OD1-NH2 3.75Å; D139-R142 PolarHBondContact OD1-NH2 2.85Å; R142-G144 VanDerWaalsContact C-N 3.32Å; R142-G144 PolarHBondContact O-N 2.97Å; R142-K145 WeakPolarHBondContact O-CB 3.26Å; R142-K145 PolarHBondContact O-N 2.82Å; R142-V146 WeakPolarHBondContact O-CG2 3.37Å; R142-V146 PolarHBondContact O-N 2.84Å
143D97.3Very high95.7Very high71 Ų7154.8 Ų54.838%0.3829%0.292SS..Hα-helixtrans-65.4-36-178.2-67.1-0.5000111.8W129 D139 S140 I141 V146 Y147W129-D143 HydrophobicContact CZ2-CB 3.79Å; D139-D143 WeakPolarHBondContact O-CB 3.48Å; D139-D143 VanDerWaalsContact O-CG 3.22Å; D139-D143 PolarHBondContact O-N 2.81Å; S140-D143 PolarHBondContact O-N 3.29Å; I141-D143 PolarHBondContact O-N 3.46Å; D143-V146 PolarHBondContact O-N 2.82Å; D143-Y147 PolarHBondContact O-N 3.17Å
144G96.8Very high95.6Very high0 Ų057.4 Ų57.40%031%0.308CS..Hα-helixtrans-64.9-41.3172.900000112.5W129 S140 I141 R142 Y147 I148W129-G144 VanDerWaalsContact CZ2-N 3.3Å; S140-G144 PolarHBondContact O-N 2.91Å; I141-G144 PolarHBondContact O-N 2.8Å; R142-G144 VanDerWaalsContact C-N 3.32Å; R142-G144 PolarHBondContact O-N 2.97Å; G144-Y147 WeakPolarHBondContact O-CB 3.47Å; G144-Y147 PolarHBondContact O-N 2.82Å; G144-I148 WeakPolarHBondContact O-CG1 3.28Å; G144-I148 PolarHBondContact O-N 3.05Å
145K96.8Very high95.5Very high62 Ų6258 Ų5827%0.2732%0.322SS..Hα-helixtrans-62.5-41.6173.3-71.1-178.3178.6-167.80111.7F105 L108 I141 R142 Y147 I148 H149F105-K145 HydrophobicContact CB-CD 4.46Å; F105-K145 HydrophobicContact CD1-CB 4Å; F105-K145 HydrophobicContact CD1-CD 4.29Å; F105-K145 HydrophobicContact CD1-CG 3.69Å; F105-K145 HydrophobicContact CE1-CB 3.91Å; F105-K145 HydrophobicContact CE1-CG 4.14Å; F105-K145 WeakPolarHBondContact CE1-O 3.12Å; F105-K145 HydrophobicContact CG-CD 4.48Å; F105-K145 HydrophobicContact CG-CG 4.35Å; F105-K145 WeakPolarHBondContact O-CE 3.23Å; F105-K145 PolarHBondContact O-NZ 2.79Å; L108-K145 HydrophobicContact CD1-CG 4.13Å; I141-K145 HydrophobicContact CG2-CD 4.38Å; I141-K145 WeakPolarHBondContact O-CG 3.38Å; I141-K145 PolarHBondContact O-N 3Å; R142-K145 WeakPolarHBondContact O-CB 3.26Å; R142-K145 PolarHBondContact O-N 2.82Å; K145-Y147 VanDerWaalsContact C-N 3.34Å; K145-Y147 PolarHBondContact O-N 2.81Å; K145-I148 PolarHBondContact O-N 2.76Å; K145-H149 WeakPolarHBondContact O-CB 3.2Å; K145-H149 PolarHBondContact O-N 3.05Å
146V97Very high95.5Very high73 Ų7356.8 Ų56.844%0.44232%0.317SS..Hα-helixtrans-60.4-43.9174.3172.20000110.8R142 D143 H149 H150R142-V146 WeakPolarHBondContact O-CG2 3.37Å; R142-V146 PolarHBondContact O-N 2.84Å; D143-V146 PolarHBondContact O-N 2.82Å; V146-H149 PolarHBondContact O-N 2.87Å; V146-H150 PolarHBondContact O-N 3.22Å; V146-H150 PolarHBondContact O-ND1 3.26Å
147Y96.8Very high95.5Very high47 Ų4756.4 Ų56.418%0.18431%0.314CS..Hα-helixtrans-60.3-47.4176.6177.6-105.1000112.5I119 K127 W129 D143 G144 K145 H149 H150 M151I119-Y147 HydrophobicContact CB-CD1 4.08Å; I119-Y147 HydrophobicContact CB-CE1 4.09Å; I119-Y147 HydrophobicContact CD1-CD1 4.47Å; I119-Y147 HydrophobicContact CG2-CD1 3.94Å; I119-Y147 HydrophobicContact CG2-CE1 3.83Å; K127-Y147 VanDerWaalsContact C-OH 3.26Å; K127-Y147 WeakPolarHBondContact CB-OH 3.32Å; K127-Y147 PolarHBondContact O-OH 2.84Å; W129-Y147 HydrophobicContact CB-CD1 3.66Å; W129-Y147 HydrophobicContact CB-CD2 4.14Å; W129-Y147 HydrophobicContact CB-CE1 3.61Å; W129-Y147 HydrophobicContact CB-CE2 4.11Å; W129-Y147 HydrophobicContact CB-CG 3.93Å; W129-Y147 AromaticContact CD1-CD2 3.6Å; W129-Y147 AromaticContact CD1-CG 3.48Å; W129-Y147 VanDerWaalsContact CD1-CG 3.48Å; W129-Y147 AromaticContact CG-CD1 3.88Å; W129-Y147 HydrophobicContact CG-CD1 3.88Å; W129-Y147 HydrophobicContact CG-CD2 4.12Å; W129-Y147 HydrophobicContact CG-CE1 4.32Å; W129-Y147 AromaticContact CG-CG 3.76Å; W129-Y147 HydrophobicContact CG-CG 3.76Å; D143-Y147 PolarHBondContact O-N 3.17Å; G144-Y147 WeakPolarHBondContact O-CB 3.47Å; G144-Y147 PolarHBondContact O-N 2.82Å; K145-Y147 VanDerWaalsContact C-N 3.34Å; K145-Y147 PolarHBondContact O-N 2.81Å; Y147-H149 PolarHBondContact O-N 3.47Å; Y147-H150 PolarHBondContact O-N 3.37Å; Y147-M151 HydrophobicContact CD1-CE 3.49Å; Y147-M151 VanDerWaalsContact CD1-CE 3.49Å; Y147-M151 HydrophobicContact CE1-CE 3.13Å; Y147-M151 PolarHBondContact O-N 2.86Å
148I96Very high95.5Very high0 Ų054.7 Ų54.70%030%0.303CS..Hα-helixtrans-62.1-43.1177.3-70.7165.7000111.3L86 K101 L104 F105 L108 I119 G144 K145 H150 M151L86-I148 HydrophobicContact CD1-CG1 4.49Å; K101-I148 HydrophobicContact CB-CG2 3.92Å; K101-I148 HydrophobicContact CD-CG2 4.47Å; K101-I148 WeakPolarHBondContact CE-O 3.44Å; K101-I148 HydrophobicContact CG-CG2 3.66Å; L104-I148 HydrophobicContact CB-CD1 3.97Å; L104-I148 HydrophobicContact CD1-CD1 4.28Å; L104-I148 HydrophobicContact CD1-CG2 4.49Å; F105-I148 HydrophobicContact CD1-CG2 4.27Å; F105-I148 HydrophobicContact CE1-CB 3.87Å; F105-I148 HydrophobicContact CE1-CG2 3.6Å; F105-I148 HydrophobicContact CZ-CG2 4.27Å; L108-I148 HydrophobicContact CD1-CD1 3.62Å; L108-I148 HydrophobicContact CG-CD1 4.45Å; I119-I148 HydrophobicContact CD1-CD1 3.74Å; I119-I148 HydrophobicContact CD1-CG1 3.99Å; I119-I148 HydrophobicContact CG2-CG1 4.09Å; G144-I148 WeakPolarHBondContact O-CG1 3.28Å; G144-I148 PolarHBondContact O-N 3.05Å; K145-I148 PolarHBondContact O-N 2.76Å; I148-H150 VanDerWaalsContact C-N 3.26Å; I148-H150 PolarHBondContact O-N 3.19Å; I148-M151 HydrophobicContact CG1-CE 4.14Å; I148-M151 WeakPolarHBondContact O-CB 3.35Å; I148-M151 WeakPolarHBondContact O-CG 3.49Å; I148-M151 PolarHBondContact O-N 2.82Å; I148-M151 VanDerWaalsContact O-N 3.08Å
149H95.4Very high95.6Very high117 Ų11749.2 Ų49.254%0.54227%0.267SS..Hα-helixtrans-55.7-42.5179.2-178.1-93.9000111.8K101 F105 K145 V146 Y147 M151K101-H149 PolarHBondContact NZ-O 3.1Å; F105-H149 HydrophobicContact CZ-CB 4.18Å; K145-H149 WeakPolarHBondContact O-CB 3.2Å; K145-H149 PolarHBondContact O-N 3.05Å; V146-H149 PolarHBondContact O-N 2.87Å; Y147-H149 PolarHBondContact O-N 3.47Å; H149-M151 VanDerWaalsContact C-N 3.3Å; H149-M151 PolarHBondContact O-N 3.21Å
150H94.8Very high95.6Very high133 Ų13346 Ų4662%0.61625%0.25SC*.THydrogen-bonded Turntrans-81.32.3-179.2-66.495.7000114.9V146 Y147 I148 S152V146-H150 PolarHBondContact O-N 3.22Å; V146-H150 PolarHBondContact O-ND1 3.26Å; Y147-H150 PolarHBondContact O-N 3.37Å; I148-H150 VanDerWaalsContact C-N 3.26Å; I148-H150 PolarHBondContact O-N 3.19Å; H150-S152 PolarHBondContact O-N 2.76Å
151M94Very high95.7Very high17 Ų1746.2 Ų46.28%0.08425%0.254CS..  trans-65.9133.9171.5-66.5-177.3-178.900110.3L86 K101 I119 Y147 I148 H149L86-M151 HydrophobicContact CD1-CE 3.99Å; L86-M151 HydrophobicContact CD1-SD 4.01Å; K101-M151 WeakPolarHBondContact CE-O 3.18Å; K101-M151 PolarHBondContact NZ-O 2.74Å; I119-M151 HydrophobicContact CG2-CE 3.62Å; Y147-M151 HydrophobicContact CD1-CE 3.49Å; Y147-M151 VanDerWaalsContact CD1-CE 3.49Å; Y147-M151 HydrophobicContact CE1-CE 3.13Å; Y147-M151 PolarHBondContact O-N 2.86Å; I148-M151 HydrophobicContact CG1-CE 4.14Å; I148-M151 WeakPolarHBondContact O-CB 3.35Å; I148-M151 WeakPolarHBondContact O-CG 3.49Å; I148-M151 PolarHBondContact O-N 2.82Å; I148-M151 VanDerWaalsContact O-N 3.08Å; H149-M151 VanDerWaalsContact C-N 3.3Å; H149-M151 PolarHBondContact O-N 3.21Å
152S92.2Very high95.7Very high75 Ų7545.3 Ų45.352%0.52425%0.249SC..  trans-128.7140.2177.2-56.40000109.6H150 T154H150-S152 PolarHBondContact O-N 2.76Å; S152-T154 PolarHBondContact O-N 2.88Å
153P92.9Very high95.8Very high40 Ų4039.4 Ų39.426%0.2623%0.227SC..  trans-72.1126.2-178.229.8-32.1000110.2S88 S89 V93 L97S88-P153 CarbonylContact O-C 3.48Å; S88-P153 WeakPolarHBondContact O-CA 3.34Å; S89-P153 WeakPolarHBondContact O-CB 3.15Å; V93-P153 HydrophobicContact CB-CG 4.31Å; V93-P153 HydrophobicContact CG2-CB 3.71Å; V93-P153 HydrophobicContact CG2-CG 3.39Å; L97-P153 HydrophobicContact CD2-CB 4.28Å; L97-P153 HydrophobicContact CD2-CG 4.12Å
154T91.6Very high95.8Very high64 Ų6438.5 Ų38.539%0.39322%0.22SC..  trans-154146.2-177.463.10000111.5S88 S123 S152S88-T154 PolarHBondContact O-N 3.17Å; S123-T154 WeakPolarHBondContact CB-O 3.34Å; S123-T154 PolarHBondContact OG-O 3.03Å; S152-T154 PolarHBondContact O-N 2.88Å
155G92.6Very high95.9Very high42 Ų4242.6 Ų42.643%0.43324%0.236SC..SBendtrans68.6-159.7166.300000115.1A90A90-G155 PolarHBondContact N-O 2.9Å; A90-G155 VanDerWaalsContact N-O 3.12Å
156G94.5Very high95.9Very high20 Ų2039.6 Ų39.621%0.20622%0.223CC..  trans-92.1-154.317900000113.5S89 S123 N124S89-G156 VanDerWaalsContact CB-O 3.26Å; S89-G156 WeakPolarHBondContact CB-O 3.48Å; S123-G156 CarbonylContact C-O 3.48Å; S123-G156 WeakPolarHBondContact CA-O 3.48Å; S123-G156 VanDerWaalsContact CB-O 3.26Å; S123-G156 WeakPolarHBondContact CB-O 3.39Å; N124-G156 PolarHBondContact N-O 3.1Å; N124-G156 VanDerWaalsContact N-O 3.08Å
157T96.2Very high95.9Very high7 Ų736.2 Ų36.24%0.04320%0.202CC..  trans-136.9103-165.7-47.10000110.8S89 F122 I159 K194 P195 T196 V197S89-T157 WeakPolarHBondContact CB-OG1 3.39Å; F122-T157 HydrophobicContact CE2-CG2 3.71Å; F122-T157 HydrophobicContact CZ-CG2 4.48Å; T157-I159 HydrophobicContact CG2-CD1 4.48Å; T157-I159 HydrophobicContact CG2-CG1 3.93Å; T157-K194 WeakPolarHBondContact CB-O 3.49Å; T157-P195 WeakPolarHBondContact O-CA 3.18Å; T157-T196 PolarHBondContact N-OG1 3.04Å; T157-T196 PolarHBondContact O-N 3.42Å; T157-V197 PolarHBondContact O-N 2.8Å; T157-V197 VanDerWaalsContact O-N 3.15Å
158D97.4Very high95.9Very high23 Ų2341.7 Ų41.712%0.12322%0.223CC..  trans-10081.5175.6-175.81.5000111.8F122 S123 G161 A162 V197F122-D158 WeakPolarHBondContact CD2-O 3.09Å; S123-D158 WeakPolarHBondContact O-CB 3.45Å; S123-D158 PolarHBondContact O-N 2.91Å; D158-G161 PolarHBondContact OD1-N 2.79Å; D158-A162 WeakPolarHBondContact O-CB 3.4Å; D158-A162 PolarHBondContact O-N 2.53Å; D158-V197 WeakPolarHBondContact CA-O 3.23Å; D158-V197 HydrophobicContact CB-CB 4.13Å; D158-V197 HydrophobicContact CB-CG1 4.25Å
159I97.7Very high95.8Very high1 Ų141.9 Ų41.91%0.00522%0.224CC..Hα-helixtrans-63.5-47.1179.9-63.1-172.6000111.1F122 T157 A162 L163 F189 P195 I205 L232 L236F122-I159 HydrophobicContact CE2-CG1 4.21Å; T157-I159 HydrophobicContact CG2-CD1 4.48Å; T157-I159 HydrophobicContact CG2-CG1 3.93Å; I159-A162 PolarHBondContact O-N 3.31Å; I159-L163 HydrophobicContact CG2-CD1 3.78Å; I159-L163 HydrophobicContact CG2-CG 4.41Å; I159-L163 WeakPolarHBondContact O-CG 3.4Å; I159-L163 PolarHBondContact O-N 3.32Å; I159-F189 HydrophobicContact CB-CZ 4.17Å; I159-F189 HydrophobicContact CG1-CZ 4.04Å; I159-F189 HydrophobicContact CG2-CE1 4.25Å; I159-F189 HydrophobicContact CG2-CE2 4.31Å; I159-F189 HydrophobicContact CG2-CZ 3.68Å; I159-P195 HydrophobicContact CB-CB 4.32Å; I159-P195 HydrophobicContact CD1-CB 4.11Å; I159-P195 HydrophobicContact CD1-CG 4.41Å; I159-P195 HydrophobicContact CG1-CB 4.16Å; I159-I205 HydrophobicContact CG2-CG2 4.3Å; I159-L232 HydrophobicContact CD1-CD2 4.25Å; I159-L236 HydrophobicContact CG2-CD1 4.48Å
160N98.1Very high95.8Very high21 Ų2136.3 Ų36.311%0.11220%0.198CC..Hα-helixtrans-62-51.2-175.6179.173.2000111.3A162 L163 Q164 E199 I205 N208N160-A162 VanDerWaalsContact C-N 3.29Å; N160-A162 PolarHBondContact O-N 3.24Å; N160-L163 PolarHBondContact O-N 3Å; N160-Q164 WeakPolarHBondContact O-CB 3.45Å; N160-Q164 WeakPolarHBondContact O-CG 3.06Å; N160-Q164 PolarHBondContact O-N 3.29Å; N160-E199 HydrophobicContact CB-CB 3.92Å; N160-I205 HydrophobicContact CB-CG1 4.13Å; N160-I205 HydrophobicContact CB-CG2 4.29Å; N160-N208 WeakPolarHBondContact OD1-CB 3.36Å; N160-N208 PolarHBondContact OD1-ND2 3.02Å
161G97.7Very high95.6Very high14 Ų1431.9 Ų31.914%0.14418%0.179CC..Hα-helixtrans-61.9-38.7-179.400000112.2D158 Q164 R165D158-G161 PolarHBondContact OD1-N 2.79Å; G161-Q164 PolarHBondContact O-N 2.69Å; G161-R165 WeakPolarHBondContact O-CB 3.21Å; G161-R165 PolarHBondContact O-N 2.87Å
162A97.8Very high95.5Very high0 Ų036.1 Ų36.10%020%0.196CC..Hα-helixtrans-62.7-47.8177.300000112.2V85 F122 D158 I159 N160 R165 A166 F189V85-A162 HydrophobicContact CG1-CB 3.79Å; F122-A162 HydrophobicContact CB-CB 3.66Å; F122-A162 HydrophobicContact CD1-CB 3.89Å; F122-A162 HydrophobicContact CD2-CB 3.92Å; F122-A162 HydrophobicContact CG-CB 3.55Å; D158-A162 WeakPolarHBondContact O-CB 3.4Å; D158-A162 PolarHBondContact O-N 2.53Å; I159-A162 PolarHBondContact O-N 3.31Å; N160-A162 VanDerWaalsContact C-N 3.29Å; N160-A162 PolarHBondContact O-N 3.24Å; A162-R165 PolarHBondContact O-N 3.43Å; A162-A166 WeakPolarHBondContact O-CB 3.45Å; A162-A166 PolarHBondContact O-N 2.85Å; A162-F189 HydrophobicContact CB-CE2 4.37Å
163L98.1Very high95.3Very high0 Ų035.3 Ų35.30%018%0.182CC..Hα-helixtrans-61.2-47.2176.3-72170.5000111.7I159 N160 R165 A166 I167 F189 I205 T209 I219 L236I159-L163 HydrophobicContact CG2-CD1 3.78Å; I159-L163 HydrophobicContact CG2-CG 4.41Å; I159-L163 WeakPolarHBondContact O-CG 3.4Å; I159-L163 PolarHBondContact O-N 3.32Å; N160-L163 PolarHBondContact O-N 3Å; L163-R165 VanDerWaalsContact C-N 3.27Å; L163-R165 PolarHBondContact O-N 3.28Å; L163-A166 PolarHBondContact O-N 3.11Å; L163-I167 WeakPolarHBondContact O-CB 3.48Å; L163-I167 VanDerWaalsContact O-CG1 3.28Å; L163-I167 WeakPolarHBondContact O-CG1 3.4Å; L163-I167 PolarHBondContact O-N 3.48Å; L163-F189 HydrophobicContact CD2-CD2 3.54Å; L163-F189 HydrophobicContact CD2-CE2 3.98Å; L163-F189 HydrophobicContact CD2-CG 4.18Å; L163-F189 HydrophobicContact CG-CD2 4.07Å; L163-F189 HydrophobicContact CG-CE2 3.97Å; L163-I205 HydrophobicContact CD1-CG2 4.36Å; L163-T209 HydrophobicContact CD1-CG2 4.41Å; L163-I219 HydrophobicContact CD2-CD1 4.49Å; L163-I219 HydrophobicContact CD2-CG2 4.28Å; L163-L236 HydrophobicContact CD1-CD1 3.91Å; L163-L236 HydrophobicContact CD1-CD2 3.85Å
164Q97.9Very high94.9Very high53 Ų5336 Ų3625%0.24819%0.186CC..Hα-helixtrans-59-39.1177.6-69.2-60.5-51.500112N160 G161 R168 N208N160-Q164 WeakPolarHBondContact O-CB 3.45Å; N160-Q164 WeakPolarHBondContact O-CG 3.06Å; N160-Q164 PolarHBondContact O-N 3.29Å; G161-Q164 PolarHBondContact O-N 2.69Å; Q164-R168 VanDerWaalsContact O-CB 3.28Å; Q164-R168 WeakPolarHBondContact O-CB 3.35Å; Q164-R168 PolarHBondContact O-N 2.97Å; Q164-R168 VanDerWaalsContact O-N 3.08Å; Q164-N208 PolarHBondContact NE2-O 3.4Å
165R97.8Very high94.5Very high85 Ų8536.9 Ų36.932%0.32120%0.199SC..Hα-helixtrans-69.8-42.2178.3-170.159.2171.8137.8-3111.9I120 I126 V128 G161 A162 L163 R168 L169I120-R165 HydrophobicContact CD1-CB 4.34Å; I120-R165 HydrophobicContact CD1-CG 4.15Å; I126-R165 HydrophobicContact CG2-CB 4.22Å; I126-R165 HydrophobicContact CG2-CG 4.2Å; V128-R165 HydrophobicContact CG2-CG 3.6Å; G161-R165 WeakPolarHBondContact O-CB 3.21Å; G161-R165 PolarHBondContact O-N 2.87Å; A162-R165 PolarHBondContact O-N 3.43Å; L163-R165 VanDerWaalsContact C-N 3.27Å; L163-R165 PolarHBondContact O-N 3.28Å; R165-R168 PolarHBondContact O-N 3.41Å; R165-L169 PolarHBondContact O-N 2.91Å; R165-L169 VanDerWaalsContact O-N 3.16Å
166A97.9Very high93.7Very high0 Ų042.2 Ų42.20%021%0.213CC..Hα-helixtrans-62.1-50.4177.500000111.8V83 V85 I120 A162 L163 R168 L169 L170 I187V83-A166 HydrophobicContact CB-CB 4.37Å; V83-A166 HydrophobicContact CG1-CB 3.87Å; V85-A166 HydrophobicContact CG2-CB 3.57Å; I120-A166 HydrophobicContact CD1-CB 3.9Å; A162-A166 WeakPolarHBondContact O-CB 3.45Å; A162-A166 PolarHBondContact O-N 2.85Å; L163-A166 PolarHBondContact O-N 3.11Å; A166-R168 VanDerWaalsContact C-N 3.29Å; A166-R168 PolarHBondContact O-N 3.31Å; A166-L169 WeakPolarHBondContact O-CB 3.44Å; A166-L169 PolarHBondContact O-N 2.56Å; A166-L169 VanDerWaalsContact O-N 3.13Å; A166-L170 PolarHBondContact O-N 2.9Å; A166-I187 HydrophobicContact CB-CD1 3.7Å; A166-I187 HydrophobicContact CB-CG1 4.21Å
167I97.2Very high92.3Very high1 Ų142.9 Ų42.91%0.00521%0.214CC..Hα-helixtrans-60.6-40.7178.4-65.8166000110.6L163 L169 L170 N171 I187 T209 A212 A213 V217 I219L163-I167 WeakPolarHBondContact O-CB 3.48Å; L163-I167 VanDerWaalsContact O-CG1 3.28Å; L163-I167 WeakPolarHBondContact O-CG1 3.4Å; L163-I167 PolarHBondContact O-N 3.48Å; I167-L169 VanDerWaalsContact C-N 3.33Å; I167-L169 PolarHBondContact O-N 2.95Å; I167-L170 PolarHBondContact O-N 2.85Å; I167-N171 WeakPolarHBondContact CG2-ND2 3.27Å; I167-N171 WeakPolarHBondContact O-CB 3.3Å; I167-N171 PolarHBondContact O-N 2.9Å; I167-I187 HydrophobicContact CD1-CD1 4.49Å; I167-I187 HydrophobicContact CG1-CD1 3.5Å; I167-T209 HydrophobicContact CD1-CG2 3.92Å; I167-A212 HydrophobicContact CB-CB 4.35Å; I167-A212 HydrophobicContact CD1-CB 3.95Å; I167-A212 VanDerWaalsContact CG2-C 3.46Å; I167-A212 HydrophobicContact CG2-CB 3.81Å; I167-A212 VanDerWaalsContact CG2-O 3.23Å; I167-A212 WeakPolarHBondContact CG2-O 3.4Å; I167-A213 HydrophobicContact CD1-CB 4.15Å; I167-V217 HydrophobicContact CG2-CG2 4.48Å; I167-I219 HydrophobicContact CD1-CD1 4.33Å
168R95.7Very high90.5Very high163 Ų16345.1 Ų45.162%0.61524%0.239SC*.Hα-helixtrans-61-39.1176.6-172.1-176.3-61.9-156.6-0.3112.7Q164 R165 A166 K172Q164-R168 VanDerWaalsContact O-CB 3.28Å; Q164-R168 WeakPolarHBondContact O-CB 3.35Å; Q164-R168 PolarHBondContact O-N 2.97Å; Q164-R168 VanDerWaalsContact O-N 3.08Å; R165-R168 PolarHBondContact O-N 3.41Å; A166-R168 VanDerWaalsContact C-N 3.29Å; A166-R168 PolarHBondContact O-N 3.31Å; R168-K172 VanDerWaalsContact O-CB 3.24Å; R168-K172 WeakPolarHBondContact O-CB 3.37Å; R168-K172 PolarHBondContact O-N 3.39Å
169L95Very high88.4Confident4 Ų451.6 Ų51.62%0.02127%0.272CS..Hα-helixtrans-64-45.2176.8-71.4175.2000111.3I120 V128 D131 R165 A166 I167 Y173I120-L169 HydrophobicContact CD1-CD1 3.97Å; I120-L169 HydrophobicContact CG1-CD1 4.45Å; V128-L169 HydrophobicContact CG1-CD1 3.87Å; D131-L169 VanDerWaalsContact O-CD2 3.26Å; D131-L169 WeakPolarHBondContact O-CD2 3.22Å; R165-L169 PolarHBondContact O-N 2.91Å; R165-L169 VanDerWaalsContact O-N 3.16Å; A166-L169 WeakPolarHBondContact O-CB 3.44Å; A166-L169 PolarHBondContact O-N 2.56Å; A166-L169 VanDerWaalsContact O-N 3.13Å; I167-L169 VanDerWaalsContact C-N 3.33Å; I167-L169 PolarHBondContact O-N 2.95Å; L169-Y173 PolarHBondContact O-N 2.83Å; L169-Y173 VanDerWaalsContact O-N 3.13Å
170L94.5Very high86.3Confident0 Ų052.4 Ų52.40%028%0.281CS..Hα-helixtrans-63-51.7177.5-69.8169.8000111.2N81 V83 L133 A166 I167 K172 Y173 V174 I187 V217N81-L170 HydrophobicContact CB-CD2 3.68Å; N81-L170 WeakPolarHBondContact O-CD2 3.47Å; V83-L170 HydrophobicContact CG2-CD1 4.2Å; V83-L170 HydrophobicContact CG2-CD2 3.87Å; V83-L170 HydrophobicContact CG2-CG 3.79Å; L133-L170 HydrophobicContact CD1-CD2 4.1Å; L133-L170 HydrophobicContact CD2-CD2 4.42Å; A166-L170 PolarHBondContact O-N 2.9Å; I167-L170 PolarHBondContact O-N 2.85Å; L170-K172 VanDerWaalsContact C-N 3.31Å; L170-K172 PolarHBondContact O-N 2.98Å; L170-Y173 WeakPolarHBondContact O-CB 3.36Å; L170-Y173 PolarHBondContact O-N 3.41Å; L170-Y173 VanDerWaalsContact O-N 3.07Å; L170-V174 WeakPolarHBondContact O-CG2 3.25Å; L170-V174 PolarHBondContact O-N 2.82Å; L170-I187 HydrophobicContact CD1-CD1 4.07Å; L170-I187 HydrophobicContact CD1-CG1 3.6Å; L170-V217 HydrophobicContact CB-CG2 4.23Å; L170-V217 HydrophobicContact CD1-CB 4.46Å; L170-V217 HydrophobicContact CD1-CG1 3.57Å; L170-V217 HydrophobicContact CD1-CG2 4.02Å
171N91.7Very high84.5Confident40 Ų4056.7 Ų56.721%0.21430%0.304CS..Hα-helixtrans-61.2-38.7-179.9-71.4-4.6000112.1I167 Y173 V174 A175 A212I167-N171 WeakPolarHBondContact CG2-ND2 3.27Å; I167-N171 WeakPolarHBondContact O-CB 3.3Å; I167-N171 PolarHBondContact O-N 2.9Å; N171-Y173 VanDerWaalsContact C-N 3.34Å; N171-Y173 PolarHBondContact O-N 2.75Å; N171-V174 PolarHBondContact O-N 3.37Å; N171-A175 VanDerWaalsContact O-CB 3.29Å; N171-A175 WeakPolarHBondContact O-CB 3.44Å; N171-A175 PolarHBondContact O-N 2.96Å; N171-A212 PolarHBondContact ND2-O 2.85Å
172K90.3Very high83.5Confident105 Ų10559.8 Ų59.846%0.45731%0.311SS..Hα-helixtrans-61.4-43.8175-175.2-178175.7-171.40110.6R168 L170 H176R168-K172 VanDerWaalsContact O-CB 3.24Å; R168-K172 WeakPolarHBondContact O-CB 3.37Å; R168-K172 PolarHBondContact O-N 3.39Å; L170-K172 VanDerWaalsContact C-N 3.31Å; L170-K172 PolarHBondContact O-N 2.98Å; K172-H176 PolarHBondContact O-N 3.34Å; K172-H176 PolarHBondContact O-ND1 3.28Å
173Y88Confident82.9Confident59 Ų5961.5 Ų61.523%0.23132%0.323CS..Hα-helixtrans-65.2-48.3178.4-179.7-100.2000112.2N81 R116 L133 L169 L170 N171 A175 H176 S177N81-Y173 VanDerWaalsContact OD1-CE1 3.27Å; N81-Y173 WeakPolarHBondContact OD1-CE1 3.46Å; R116-Y173 HydrophobicContact CG-CE1 4.41Å; R116-Y173 HydrophobicContact CG-CE2 4.34Å; R116-Y173 PolarHBondContact NE-OH 2.98Å; L133-Y173 HydrophobicContact CB-CD2 4.31Å; L133-Y173 HydrophobicContact CD1-CD1 3.79Å; L133-Y173 HydrophobicContact CD1-CD2 4.12Å; L133-Y173 HydrophobicContact CD1-CE1 4.49Å; L133-Y173 HydrophobicContact CD1-CG 3.58Å; L133-Y173 HydrophobicContact CG-CG 4.33Å; L169-Y173 PolarHBondContact O-N 2.83Å; L169-Y173 VanDerWaalsContact O-N 3.13Å; L170-Y173 WeakPolarHBondContact O-CB 3.36Å; L170-Y173 PolarHBondContact O-N 3.41Å; L170-Y173 VanDerWaalsContact O-N 3.07Å; N171-Y173 VanDerWaalsContact C-N 3.34Å; N171-Y173 PolarHBondContact O-N 2.75Å; Y173-A175 VanDerWaalsContact C-N 3.3Å; Y173-A175 PolarHBondContact O-N 2.85Å; Y173-H176 PolarHBondContact O-N 3.48Å; Y173-H176 VanDerWaalsContact O-N 3.14Å; Y173-S177 WeakPolarHBondContact CE1-OG 3.4Å; Y173-S177 PolarHBondContact O-N 3.09Å; Y173-S177 PolarHBondContact O-OG 2.8Å
174V84.8Confident82.6Confident55 Ų5561.8 Ų61.833%0.33333%0.325SS..Hα-helixtrans-60.1-41.3179.9174.40000111.1L170 N171 H176 S177L170-V174 WeakPolarHBondContact O-CG2 3.25Å; L170-V174 PolarHBondContact O-N 2.82Å; N171-V174 PolarHBondContact O-N 3.37Å; V174-H176 VanDerWaalsContact C-N 3.27Å; V174-H176 PolarHBondContact O-N 2.85Å; V174-S177 PolarHBondContact O-N 3.45Å
175A82.9Confident82.3Confident82 Ų8259.6 Ų59.668%0.67832%0.315SS*.Hα-helixtrans-65.3-25.6178.800000114.4N171 Y173N171-A175 VanDerWaalsContact O-CB 3.29Å; N171-A175 WeakPolarHBondContact O-CB 3.44Å; N171-A175 PolarHBondContact O-N 2.96Å; Y173-A175 VanDerWaalsContact C-N 3.3Å; Y173-A175 PolarHBondContact O-N 2.85Å
176H75.5Confident82.2Confident153 Ų15355.7 Ų55.771%0.70830%0.301SS*.Hα-helixtrans-98-8.6178.2-66.377.3000112.8K172 Y173 V174K172-H176 PolarHBondContact O-N 3.34Å; K172-H176 PolarHBondContact O-ND1 3.28Å; Y173-H176 PolarHBondContact O-N 3.48Å; Y173-H176 VanDerWaalsContact O-N 3.14Å; V174-H176 VanDerWaalsContact C-N 3.27Å; V174-H176 PolarHBondContact O-N 2.85Å
177S65.1Low82.2Confident34 Ų3455.7 Ų55.724%0.23830%0.301CS..SBendtrans-81.5135.5176.6-58.50000109.1Y173 V174Y173-S177 WeakPolarHBondContact CE1-OG 3.4Å; Y173-S177 PolarHBondContact O-N 3.09Å; Y173-S177 PolarHBondContact O-OG 2.8Å; V174-S177 PolarHBondContact O-N 3.45Å
178G59.6Low82.2Confident55 Ų5556.1 Ų56.157%0.56730%0.304SS*.  trans-61.7154.5177.600000111.9G180 D181G178-G180 PolarHBondContact O-N 2.83Å; G178-D181 PolarHBondContact O-N 2.84Å
179I53.3Low82.3Confident158 Ų15848.4 Ų48.481%0.8127%0.274SS*.THydrogen-bonded Turntrans-53.2-19.6-179.8-63.8168000113W570I179-W570 HydrophobicContact CB-CZ2 4.3Å; I179-W570 HydrophobicContact CG2-CZ2 4.05Å
180G52.6Low82.3Confident19 Ų1948.4 Ų48.420%0.19627%0.274CS..THydrogen-bonded Turntrans-85.5-13-176.400000117.2G178G178-G180 PolarHBondContact O-N 2.83Å
181D62Low82.3Confident110 Ų11048.4 Ų48.459%0.58827%0.274SS*.  trans-104.682.3-179.8-88.2-17.6000110.9G178 S183G178-D181 PolarHBondContact O-N 2.84Å; D181-S183 PolarHBondContact O-N 3.13Å
182R75.3Confident82.3Confident79 Ų7946.6 Ų46.630%0.29827%0.265SS..  trans-70.8124.7173.5-61.5172.8165.9-173.7-10.2109.3S319 N320 S321 K323R182-S319 PolarHBondContact NH1-OG 3.45Å; R182-N320 WeakPolarHBondContact CD-O 3.15Å; R182-S321 WeakPolarHBondContact CB-O 3.26Å; R182-S321 WeakPolarHBondContact CG-O 3.46Å; R182-S321 PolarHBondContact N-O 2.84Å; R182-S321 VanDerWaalsContact N-O 3.14Å; R182-K323 PolarHBondContact NH1-O 3.19Å
183S86.1Confident82.2Confident36 Ų3642 Ų4225%0.25225%0.247SC..  trans-138.9151.4178.349.60000109.9P79 N81 D181P79-S183 VanDerWaalsContact O-CA 3.22Å; P79-S183 WeakPolarHBondContact O-CA 3.18Å; P79-S183 WeakPolarHBondContact O-CB 3.39Å; N81-S183 PolarHBondContact ND2-OG 2.86Å; D181-S183 PolarHBondContact O-N 3.13Å
184V90.6Very high82.5Confident6 Ų644.9 Ų44.94%0.03626%0.261CS..EExtended strand (participates in β ladder)trans-92.2127.9178.4178.30000109.3L78 P79 K80 N81 L186 P267 N291L78-V184 HydrophobicContact CB-CG2 4.42Å; L78-V184 HydrophobicContact CD1-CG2 3.98Å; P79-V184 PolarHBondContact O-N 3.23Å; K80-V184 CarbonylContact C-O 3.5Å; K80-V184 VanDerWaalsContact CA-O 3.29Å; K80-V184 WeakPolarHBondContact CA-O 3.35Å; N81-V184 PolarHBondContact N-O 2.83Å; V184-L186 HydrophobicContact CG1-CD2 3.48Å; V184-L186 VanDerWaalsContact CG1-CD2 3.48Å; V184-L186 HydrophobicContact CG1-CG 3.94Å; V184-P267 HydrophobicContact CB-CB 4.38Å; V184-P267 HydrophobicContact CB-CG 4.27Å; V184-P267 HydrophobicContact CG2-CB 3.95Å; V184-P267 HydrophobicContact CG2-CG 4.24Å; V184-N291 WeakPolarHBondContact CG1-OD1 3.49Å; V184-N291 VanDerWaalsContact CG2-OD1 3.27Å; V184-N291 WeakPolarHBondContact CG2-OD1 3.42Å
185S93.3Very high83.1Confident8 Ų843 Ų436%0.05625%0.25CC..EExtended strand (participates in β ladder)trans-99.9120.4-180-64.30000111.5N81 V217 C218N81-S185 PolarHBondContact ND2-OG 2.98Å; N81-S185 CarbonylContact O-C 3.55Å; N81-S185 WeakPolarHBondContact O-CA 3.31Å; S185-V217 WeakPolarHBondContact O-CA 3.45Å; S185-C218 PolarHBondContact O-N 2.88Å
186L95.3Very high83.7Confident2 Ų243.2 Ų43.21%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-126.5141.5-171.1-55.5-174.6000111.6K80 N81 V82 V83 V184 C218 F220 F293K80-L186 HydrophobicContact CD-CD1 4.13Å; N81-L186 PolarHBondContact O-N 3.03Å; V82-L186 WeakPolarHBondContact CA-O 3.36Å; V82-L186 HydrophobicContact CB-CB 4.48Å; V82-L186 HydrophobicContact CG2-CB 4.34Å; V83-L186 PolarHBondContact N-O 3.19Å; V184-L186 HydrophobicContact CG1-CD2 3.48Å; V184-L186 VanDerWaalsContact CG1-CD2 3.48Å; V184-L186 HydrophobicContact CG1-CG 3.94Å; L186-C218 CarbonylContact C-O 3.58Å; L186-C218 WeakPolarHBondContact CA-O 3.38Å; L186-C218 HydrophobicContact CD2-CB 3.83Å; L186-F220 HydrophobicContact CD2-CD2 4.49Å; L186-F220 HydrophobicContact CD2-CE2 3.85Å; L186-F293 HydrophobicContact CD1-CE1 4.22Å; L186-F293 HydrophobicContact CD1-CZ 4.37Å; L186-F293 HydrophobicContact CD2-CZ 4.35Å
187I97.7Very high84.7Confident0 Ų038.1 Ų38.10%022%0.222CC..EExtended strand (participates in β ladder)trans-116.2127.2165.7-66175.1000107.8V83 V85 A166 I167 L170 F189 V217 C218 I219 F220V83-I187 WeakPolarHBondContact O-CA 3.33Å; V85-I187 HydrophobicContact CG2-CG2 3.83Å; A166-I187 HydrophobicContact CB-CD1 3.7Å; A166-I187 HydrophobicContact CB-CG1 4.21Å; I167-I187 HydrophobicContact CD1-CD1 4.49Å; I167-I187 HydrophobicContact CG1-CD1 3.5Å; L170-I187 HydrophobicContact CD1-CD1 4.07Å; L170-I187 HydrophobicContact CD1-CG1 3.6Å; I187-F189 HydrophobicContact CG2-CB 4.17Å; I187-V217 HydrophobicContact CD1-CG1 3.64Å; I187-V217 HydrophobicContact CG1-CG1 3.71Å; I187-C218 PolarHBondContact N-O 2.98Å; I187-I219 HydrophobicContact CB-CG1 4.31Å; I187-I219 HydrophobicContact CB-CG2 4.4Å; I187-I219 HydrophobicContact CD1-CG1 4.29Å; I187-I219 HydrophobicContact CG2-CG2 4.31Å; I187-F220 PolarHBondContact O-N 2.88Å
188V96.9Very high86.1Confident11 Ų1139.4 Ų39.47%0.06724%0.241CC..EExtended strand (participates in β ladder)trans-105107.4167.1-178.70000106.8V82 V83 F84 V85 F220 I222 I264V82-V188 HydrophobicContact CG2-CG2 4.15Å; V83-V188 PolarHBondContact O-N 2.87Å; F84-V188 HydrophobicContact CD1-CB 3.89Å; F84-V188 HydrophobicContact CD1-CG1 4.34Å; F84-V188 HydrophobicContact CD1-CG2 4.28Å; F84-V188 HydrophobicContact CE1-CB 4.25Å; F84-V188 HydrophobicContact CE1-CG2 4.15Å; V85-V188 PolarHBondContact N-O 2.8Å; V188-F220 CarbonylContact C-O 3.56Å; V188-F220 WeakPolarHBondContact CA-O 3.31Å; V188-I222 HydrophobicContact CG1-CD1 4.02Å; V188-I264 HydrophobicContact CG2-CD1 3.94Å
189F97.4Very high87.9Confident0 Ų038.8 Ų38.80%022%0.223CC..EExtended strand (participates in β ladder)trans-107.1124-173.7-174.8-86.2000110.4V85 F122 I159 A162 L163 I187 T191 F220 T221 I222 L233V85-F189 HydrophobicContact CB-CD2 3.72Å; V85-F189 HydrophobicContact CB-CE2 4.33Å; V85-F189 HydrophobicContact CG1-CD2 3.49Å; V85-F189 VanDerWaalsContact CG1-CD2 3.49Å; V85-F189 HydrophobicContact CG1-CE2 3.6Å; V85-F189 WeakPolarHBondContact O-CA 3.25Å; F122-F189 AromaticContact CE1-CE2 3.79Å; F122-F189 HydrophobicContact CE1-CE2 3.79Å; F122-F189 AromaticContact CE1-CZ 3.79Å; F122-F189 HydrophobicContact CE1-CZ 3.79Å; F122-F189 HydrophobicContact CE2-CZ 4.13Å; F122-F189 HydrophobicContact CZ-CE1 4.18Å; F122-F189 AromaticContact CZ-CE2 3.83Å; F122-F189 HydrophobicContact CZ-CE2 3.83Å; F122-F189 AromaticContact CZ-CZ 3.37Å; F122-F189 HydrophobicContact CZ-CZ 3.37Å; I159-F189 HydrophobicContact CB-CZ 4.17Å; I159-F189 HydrophobicContact CG1-CZ 4.04Å; I159-F189 HydrophobicContact CG2-CE1 4.25Å; I159-F189 HydrophobicContact CG2-CE2 4.31Å; I159-F189 HydrophobicContact CG2-CZ 3.68Å; A162-F189 HydrophobicContact CB-CE2 4.37Å; L163-F189 HydrophobicContact CD2-CD2 3.54Å; L163-F189 HydrophobicContact CD2-CE2 3.98Å; L163-F189 HydrophobicContact CD2-CG 4.18Å; L163-F189 HydrophobicContact CG-CD2 4.07Å; L163-F189 HydrophobicContact CG-CE2 3.97Å; I187-F189 HydrophobicContact CG2-CB 4.17Å; F189-T191 HydrophobicContact CD1-CG2 4.32Å; F189-T191 HydrophobicContact CE1-CG2 3.65Å; F189-F220 PolarHBondContact N-O 3.45Å; F189-T221 HydrophobicContact CB-CG2 4.12Å; F189-T221 HydrophobicContact CD1-CG2 4.2Å; F189-T221 HydrophobicContact CG-CG2 4.49Å; F189-T221 CarbonylContact O-C 3.57Å; F189-T221 VanDerWaalsContact O-CA 3.3Å; F189-T221 WeakPolarHBondContact O-CA 3.04Å; F189-I222 PolarHBondContact O-N 2.77Å; F189-L233 HydrophobicContact CD1-CD2 4.12Å; F189-L233 HydrophobicContact CE1-CD2 4Å
190L95.3Very high89.9Confident4 Ų434 Ų342%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-125130.8-176.3-176.4120.7000110.8V85 L86 D87 M92 T100 I222 I224 L257V85-L190 PolarHBondContact O-N 3.48Å; L86-L190 HydrophobicContact CD2-CB 4.36Å; D87-L190 WeakPolarHBondContact CB-O 3.35Å; D87-L190 PolarHBondContact N-O 3.33Å; M92-L190 HydrophobicContact CE-CD2 3.79Å; T100-L190 HydrophobicContact CG2-CD1 4.47Å; T100-L190 HydrophobicContact CG2-CD2 3.47Å; T100-L190 VanDerWaalsContact CG2-CD2 3.47Å; L190-I222 WeakPolarHBondContact CA-O 3.18Å; L190-I222 HydrophobicContact CD1-CB 4.01Å; L190-I222 HydrophobicContact CD1-CD1 4.49Å; L190-I222 HydrophobicContact CD1-CG2 4.03Å; L190-I224 HydrophobicContact CD1-CD1 3.91Å; L190-I224 HydrophobicContact CD1-CG1 4.33Å; L190-I224 HydrophobicContact CD2-CD1 3.82Å; L190-I224 HydrophobicContact CG-CD1 3.99Å; L190-I224 HydrophobicContact CG-CG1 4.5Å; L190-L257 HydrophobicContact CD1-CD1 4.14Å; L190-L257 HydrophobicContact CD1-CD2 3.23Å; L190-L257 HydrophobicContact CD1-CG 4.31Å
191T94.7Very high92Very high0 Ų038.6 Ų38.60%022%0.217CC..EExtended strand (participates in β ladder)trans-153.4154.6175.6-177.50000111.7D87 F189 G193 I222 G223 I224 V228 L233D87-T191 WeakPolarHBondContact OD2-CB 3.23Å; D87-T191 PolarHBondContact OD2-OG1 3.11Å; F189-T191 HydrophobicContact CD1-CG2 4.32Å; F189-T191 HydrophobicContact CE1-CG2 3.65Å; T191-G193 PolarHBondContact OG1-N 3.39Å; T191-G193 VanDerWaalsContact OG1-N 3.16Å; T191-I222 PolarHBondContact N-O 2.82Å; T191-I222 VanDerWaalsContact N-O 3.13Å; T191-G223 WeakPolarHBondContact O-CA 3.46Å; T191-I224 PolarHBondContact O-N 2.72Å; T191-V228 HydrophobicContact CG2-CG2 3.92Å; T191-L233 HydrophobicContact CG2-CD1 3.8Å; T191-L233 HydrophobicContact CG2-CD2 3.9Å; T191-L233 HydrophobicContact CG2-CG 4.36Å
192D91.4Very high93.5Very high2 Ų235.7 Ų35.71%0.01120%0.204CC..SBendtrans-1113.9170.776-24.8000113.2S91 M92 K96 I224 V228S91-D192 WeakPolarHBondContact CB-OD1 3.41Å; S91-D192 VanDerWaalsContact CB-OD2 3.27Å; S91-D192 WeakPolarHBondContact CB-OD2 3.4Å; S91-D192 VanDerWaalsContact O-OD2 3.05Å; S91-D192 PolarHBondContact OG-OD1 3.42Å; S91-D192 PolarHBondContact OG-OD2 3.37Å; M92-D192 WeakPolarHBondContact CG-OD1 3.27Å; M92-D192 PolarHBondContact N-OD2 3.49Å; M92-D192 HydrophobicContact SD-CB 3.54Å; M92-D192 VanDerWaalsContact SD-CB 3.54Å; K96-D192 HydrophobicContact CD-CB 4.16Å; K96-D192 VanDerWaalsContact CE-OD2 3.23Å; K96-D192 WeakPolarHBondContact CE-OD2 3.05Å; K96-D192 IonicContact NZ-OD2 3.09Å; K96-D192 PolarHBondContact NZ-OD2 2.6Å; D192-I224 VanDerWaalsContact CA-O 3.3Å; D192-I224 WeakPolarHBondContact CA-O 3.04Å; D192-I224 HydrophobicContact CB-CB 3.99Å; D192-I224 HydrophobicContact CB-CG2 4.47Å; D192-I224 WeakPolarHBondContact CB-O 3.08Å; D192-V228 PolarHBondContact O-N 3.44Å
193G89.2Confident94.2Very high8 Ų836.3 Ų36.38%0.08221%0.212CC..SBendtrans-133.4-176.1-166.500000114.8T191T191-G193 PolarHBondContact OG1-N 3.39Å; T191-G193 VanDerWaalsContact OG1-N 3.16Å
194K94.4Very high94.7Very high120 Ų12039.6 Ų39.652%0.52222%0.222SC..  trans-102.5155.7176.5-55.5-170.7-177.6170.80109.7T157 T196 D227 D229T157-K194 WeakPolarHBondContact CB-O 3.49Å; K194-T196 PolarHBondContact O-N 2.88Å; K194-D227 WeakPolarHBondContact CE-O 3.41Å; K194-D227 WeakPolarHBondContact CG-O 3.34Å; K194-D229 HydrophobicContact CG-CB 4.07Å
195P95.9Very high95Very high16 Ų1639.3 Ų39.310%0.10422%0.221CC..  trans-64.4124.5174.528.7-34.2000110.1T157 I159 T200 I205 L232T157-P195 WeakPolarHBondContact O-CA 3.18Å; I159-P195 HydrophobicContact CB-CB 4.32Å; I159-P195 HydrophobicContact CD1-CB 4.11Å; I159-P195 HydrophobicContact CD1-CG 4.41Å; I159-P195 HydrophobicContact CG1-CB 4.16Å; P195-T200 HydrophobicContact CB-CG2 4.46Å; P195-T200 WeakPolarHBondContact O-CG2 3.21Å; P195-I205 HydrophobicContact CB-CD1 3.93Å; P195-I205 HydrophobicContact CG-CD1 3.86Å; P195-L232 HydrophobicContact CG-CD2 4.03Å
196T96.2Very high95Very high87 Ų8739 Ų3953%0.53422%0.218SC..  trans-126.3-16.1-177.550.70000113.3T157 K194T157-T196 PolarHBondContact N-OG1 3.04Å; T157-T196 PolarHBondContact O-N 3.42Å; K194-T196 PolarHBondContact O-N 2.88Å
197V95.6Very high95Very high46 Ų4642.6 Ų42.628%0.27924%0.238SC..SBendtrans-127.3146.9-179.41790000109N124 T157 D158N124-V197 HydrophobicContact CB-CG1 4.24Å; N124-V197 HydrophobicContact CB-CG2 4.01Å; T157-V197 PolarHBondContact O-N 2.8Å; T157-V197 VanDerWaalsContact O-N 3.15Å; D158-V197 WeakPolarHBondContact CA-O 3.23Å; D158-V197 HydrophobicContact CB-CB 4.13Å; D158-V197 HydrophobicContact CB-CG1 4.25Å
198G95.7Very high95Very high60 Ų6045.7 Ų45.762%0.61925%0.254SS*.SBendtrans76.2-134-178.200000111.8
199E97.2Very high94.9Very high42 Ų4245.2 Ų45.220%0.19625%0.251CS..  trans-83.2121.5174.4-179.657-99.800109.9N160 H201 K204 I205N160-E199 HydrophobicContact CB-CB 3.92Å; E199-H201 VanDerWaalsContact OE1-CB 3.28Å; E199-H201 WeakPolarHBondContact OE1-CB 3.37Å; E199-H201 IonicContact OE1-CE1 2.91Å; E199-H201 IonicContact OE1-CG 3.83Å; E199-H201 PolarHBondContact OE1-N 3.41Å; E199-H201 IonicContact OE1-ND1 2.72Å; E199-H201 PolarHBondContact OE1-ND1 3.32Å; E199-K204 VanDerWaalsContact CD-CD 3.5Å; E199-K204 HydrophobicContact CG-CB 3.81Å; E199-K204 HydrophobicContact CG-CD 4.44Å; E199-K204 WeakPolarHBondContact OE2-CD 3.28Å; E199-K204 IonicContact OE2-NZ 2.76Å; E199-I205 HydrophobicContact CG-CG1 4Å; E199-I205 WeakPolarHBondContact O-CD1 3.46Å
200T95.9Very high94.7Very high58 Ų5849.8 Ų49.836%0.35627%0.268SS..  trans-110.6-12.2-176.558.30000113.2P195 T202P195-T200 HydrophobicContact CB-CG2 4.46Å; P195-T200 WeakPolarHBondContact O-CG2 3.21Å; T200-T202 PolarHBondContact O-N 3.18Å
201H95.5Very high94.6Very high115 Ų11556.2 Ų56.253%0.53230%0.298SS..  trans-77.3112.4179.2-59.283000110.7E199 L203 K204 I205E199-H201 VanDerWaalsContact OE1-CB 3.28Å; E199-H201 WeakPolarHBondContact OE1-CB 3.37Å; E199-H201 IonicContact OE1-CE1 2.91Å; E199-H201 IonicContact OE1-CG 3.83Å; E199-H201 PolarHBondContact OE1-N 3.41Å; E199-H201 IonicContact OE1-ND1 2.72Å; E199-H201 PolarHBondContact OE1-ND1 3.32Å; H201-L203 VanDerWaalsContact C-N 3.33Å; H201-L203 PolarHBondContact O-N 3.48Å; H201-L203 VanDerWaalsContact O-N 3.14Å; H201-K204 HydrophobicContact CB-CB 4.33Å; H201-K204 HydrophobicContact CB-CD 4.21Å; H201-K204 HydrophobicContact CB-CG 4.3Å; H201-K204 PolarHBondContact O-N 3.41Å; H201-I205 WeakPolarHBondContact O-CG1 3.29Å; H201-I205 PolarHBondContact O-N 3.24Å; H201-I205 VanDerWaalsContact O-N 3.1Å
202T92.8Very high94.6Very high49 Ų4957 Ų5730%0.30131%0.305SS..Hα-helixtrans-42-52.2-178.7-50.20000113.6T200 K204 I205 L206 L232T200-T202 PolarHBondContact O-N 3.18Å; T202-K204 VanDerWaalsContact C-N 3.33Å; T202-K204 PolarHBondContact O-N 2.9Å; T202-I205 PolarHBondContact O-N 3.49Å; T202-L206 HydrophobicContact CG2-CD1 4.05Å; T202-L206 VanDerWaalsContact O-CG 3.32Å; T202-L206 WeakPolarHBondContact O-CG 3.46Å; T202-L206 PolarHBondContact O-N 3.42Å; T202-L232 HydrophobicContact CG2-CB 4.1Å; T202-L232 HydrophobicContact CG2-CD1 3.67Å; T202-L232 HydrophobicContact CG2-CG 4.39Å
203L91.6Very high94.5Very high92 Ų9257 Ų5748%0.48231%0.305SS..Hα-helixtrans-62.8-36.5-177.5-66.2178.3000113.2H201 N207 D379H201-L203 VanDerWaalsContact C-N 3.33Å; H201-L203 PolarHBondContact O-N 3.48Å; H201-L203 VanDerWaalsContact O-N 3.14Å; L203-N207 WeakPolarHBondContact O-CB 3.34Å; L203-N207 PolarHBondContact O-N 3.13Å; L203-D379 HydrophobicContact CD2-CB 4.46Å; L203-D379 WeakPolarHBondContact CD2-OD2 3.4Å
204K95.7Very high94.4Very high106 Ų10665.2 Ų65.246%0.46133%0.333SS..Hα-helixtrans-71.3-40.1176.8-70.1-177.7178.9174.10111.2E199 H201 T202 L206 N207 N208E199-K204 VanDerWaalsContact CD-CD 3.5Å; E199-K204 HydrophobicContact CG-CB 3.81Å; E199-K204 HydrophobicContact CG-CD 4.44Å; E199-K204 WeakPolarHBondContact OE2-CD 3.28Å; E199-K204 IonicContact OE2-NZ 2.76Å; H201-K204 HydrophobicContact CB-CB 4.33Å; H201-K204 HydrophobicContact CB-CD 4.21Å; H201-K204 HydrophobicContact CB-CG 4.3Å; H201-K204 PolarHBondContact O-N 3.41Å; T202-K204 VanDerWaalsContact C-N 3.33Å; T202-K204 PolarHBondContact O-N 2.9Å; K204-L206 VanDerWaalsContact C-N 3.33Å; K204-L206 PolarHBondContact O-N 3.1Å; K204-N207 PolarHBondContact O-N 3.17Å; K204-N208 VanDerWaalsContact O-CB 3.27Å; K204-N208 WeakPolarHBondContact O-CB 3.16Å; K204-N208 PolarHBondContact O-N 3.19Å; K204-N208 PolarHBondContact O-ND2 2.93Å; K204-N208 PolarHBondContact O-OD1 2.9Å
205I96.9Very high93.8Very high0 Ų060.6 Ų60.60%032%0.32CS..Hα-helixtrans-59.4-46.5175.3-56.4178.4000110.1I159 N160 L163 P195 E199 H201 T202 T209 L232 L236I159-I205 HydrophobicContact CG2-CG2 4.3Å; N160-I205 HydrophobicContact CB-CG1 4.13Å; N160-I205 HydrophobicContact CB-CG2 4.29Å; L163-I205 HydrophobicContact CD1-CG2 4.36Å; P195-I205 HydrophobicContact CB-CD1 3.93Å; P195-I205 HydrophobicContact CG-CD1 3.86Å; E199-I205 HydrophobicContact CG-CG1 4Å; E199-I205 WeakPolarHBondContact O-CD1 3.46Å; H201-I205 WeakPolarHBondContact O-CG1 3.29Å; H201-I205 PolarHBondContact O-N 3.24Å; H201-I205 VanDerWaalsContact O-N 3.1Å; T202-I205 PolarHBondContact O-N 3.49Å; I205-T209 VanDerWaalsContact O-CB 3.28Å; I205-T209 WeakPolarHBondContact O-CB 3.32Å; I205-T209 PolarHBondContact O-N 2.87Å; I205-T209 PolarHBondContact O-OG1 2.9Å; I205-L232 HydrophobicContact CB-CD1 4.38Å; I205-L232 HydrophobicContact CD1-CD2 4.13Å; I205-L232 HydrophobicContact CG2-CD1 4.32Å; I205-L236 HydrophobicContact CG2-CD2 4.44Å
206L94.6Very high93.3Very high0 Ų065.4 Ų65.40%034%0.341CS..Hα-helixtrans-60.1-51.9177.5-68.3168.8000111.5T202 K204 N208 T209 R210 L232 K235 L236T202-L206 HydrophobicContact CG2-CD1 4.05Å; T202-L206 VanDerWaalsContact O-CG 3.32Å; T202-L206 WeakPolarHBondContact O-CG 3.46Å; T202-L206 PolarHBondContact O-N 3.42Å; K204-L206 VanDerWaalsContact C-N 3.33Å; K204-L206 PolarHBondContact O-N 3.1Å; L206-N208 PolarHBondContact O-N 2.94Å; L206-T209 PolarHBondContact O-N 2.79Å; L206-R210 WeakPolarHBondContact O-CB 3.43Å; L206-R210 PolarHBondContact O-N 3.3Å; L206-L232 HydrophobicContact CD2-CD1 4.15Å; L206-L232 HydrophobicContact CG-CD1 4.14Å; L206-K235 HydrophobicContact CD1-CB 3.95Å; L206-K235 HydrophobicContact CD1-CD 3.59Å; L206-K235 HydrophobicContact CD1-CG 4.44Å; L206-K235 HydrophobicContact CD2-CB 3.62Å; L206-K235 HydrophobicContact CG-CB 4.46Å; L206-L236 HydrophobicContact CD2-CB 4.4Å; L206-L236 HydrophobicContact CD2-CD2 3.83Å; L206-L236 HydrophobicContact CD2-CG 3.78Å
207N94.4Very high93Very high79 Ų7961.3 Ų61.342%0.42232%0.316SS..Hα-helixtrans-60.8-48179.1-77-12.9000112.5L203 K204 T209 R210 E211L203-N207 WeakPolarHBondContact O-CB 3.34Å; L203-N207 PolarHBondContact O-N 3.13Å; K204-N207 PolarHBondContact O-N 3.17Å; N207-T209 PolarHBondContact O-N 3.46Å; N207-R210 PolarHBondContact O-N 2.77Å; N207-E211 WeakPolarHBondContact O-CB 3.45Å; N207-E211 WeakPolarHBondContact O-CG 3.37Å; N207-E211 PolarHBondContact O-N 3.13Å
208N96.7Very high93Very high65 Ų6559.3 Ų59.335%0.34830%0.304SS..Hα-helixtrans-56.9-42.8177.1-69.1-16000111.2N160 Q164 K204 L206 A212N160-N208 WeakPolarHBondContact OD1-CB 3.36Å; N160-N208 PolarHBondContact OD1-ND2 3.02Å; Q164-N208 PolarHBondContact NE2-O 3.4Å; K204-N208 VanDerWaalsContact O-CB 3.27Å; K204-N208 WeakPolarHBondContact O-CB 3.16Å; K204-N208 PolarHBondContact O-N 3.19Å; K204-N208 PolarHBondContact O-ND2 2.93Å; K204-N208 PolarHBondContact O-OD1 2.9Å; L206-N208 PolarHBondContact O-N 2.94Å; N208-A212 VanDerWaalsContact O-CB 3.26Å; N208-A212 WeakPolarHBondContact O-CB 3.29Å; N208-A212 PolarHBondContact O-N 3.35Å
209T96.3Very high93Very high0 Ų056.4 Ų56.40%027%0.274CS..Hα-helixtrans-66.6-47.3-179.5-58.40000111L163 I167 I205 L206 N207 E211 A212 A213 I219 L236L163-T209 HydrophobicContact CD1-CG2 4.41Å; I167-T209 HydrophobicContact CD1-CG2 3.92Å; I205-T209 VanDerWaalsContact O-CB 3.28Å; I205-T209 WeakPolarHBondContact O-CB 3.32Å; I205-T209 PolarHBondContact O-N 2.87Å; I205-T209 PolarHBondContact O-OG1 2.9Å; L206-T209 PolarHBondContact O-N 2.79Å; N207-T209 PolarHBondContact O-N 3.46Å; T209-E211 PolarHBondContact O-N 2.82Å; T209-A212 PolarHBondContact O-N 2.91Å; T209-A213 VanDerWaalsContact O-CB 3.26Å; T209-A213 WeakPolarHBondContact O-CB 3.34Å; T209-A213 PolarHBondContact O-N 3.48Å; T209-I219 HydrophobicContact CG2-CD1 3.31Å; T209-L236 HydrophobicContact CG2-CD2 3.87Å
210R92.6Very high92.9Very high97 Ų9754.6 Ų54.637%0.36627%0.266SS..Hα-helixtrans-58.1-48.4177.9-171.4-171.4-63.3-179.43.3111.7L206 N207 A212 A213 R214 E239L206-R210 WeakPolarHBondContact O-CB 3.43Å; L206-R210 PolarHBondContact O-N 3.3Å; N207-R210 PolarHBondContact O-N 2.77Å; R210-A212 VanDerWaalsContact C-N 3.33Å; R210-A212 PolarHBondContact O-N 2.68Å; R210-A213 PolarHBondContact O-N 2.97Å; R210-R214 PolarHBondContact O-N 2.77Å; R210-E239 IonicContact CZ-OE2 3.68Å; R210-E239 VanDerWaalsContact CZ-OE2 3.32Å; R210-E239 IonicContact NE-OE2 3.65Å; R210-E239 PolarHBondContact NE-OE2 2.96Å; R210-E239 VanDerWaalsContact NE-OE2 3.07Å; R210-E239 IonicContact NH2-OE1 3.28Å; R210-E239 PolarHBondContact NH2-OE1 3.4Å; R210-E239 VanDerWaalsContact NH2-OE1 3.11Å; R210-E239 IonicContact NH2-OE2 3.38Å; R210-E239 PolarHBondContact NH2-OE2 3.42Å
211E93.1Very high92.9Very high138 Ų13851.9 Ų51.965%0.64525%0.249SC*.Hα-helixtrans-64.8-35.7179.1-71.7-56.7131.700112.8N207 T209 R214N207-E211 WeakPolarHBondContact O-CB 3.45Å; N207-E211 WeakPolarHBondContact O-CG 3.37Å; N207-E211 PolarHBondContact O-N 3.13Å; T209-E211 PolarHBondContact O-N 2.82Å; E211-R214 WeakPolarHBondContact O-CG 3.33Å
212A94Very high92.8Very high18 Ų1846.5 Ų46.515%0.14922%0.224CC..Hα-helixtrans-74-42.9177.200000112I167 N171 N208 T209 R210I167-A212 HydrophobicContact CB-CB 4.35Å; I167-A212 HydrophobicContact CD1-CB 3.95Å; I167-A212 VanDerWaalsContact CG2-C 3.46Å; I167-A212 HydrophobicContact CG2-CB 3.81Å; I167-A212 VanDerWaalsContact CG2-O 3.23Å; I167-A212 WeakPolarHBondContact CG2-O 3.4Å; N171-A212 PolarHBondContact ND2-O 2.85Å; N208-A212 VanDerWaalsContact O-CB 3.26Å; N208-A212 WeakPolarHBondContact O-CB 3.29Å; N208-A212 PolarHBondContact O-N 3.35Å; T209-A212 PolarHBondContact O-N 2.91Å; R210-A212 VanDerWaalsContact C-N 3.33Å; R210-A212 PolarHBondContact O-N 2.68Å
213A90.8Very high92.8Very high0 Ų044.2 Ų44.20%021%0.21CC..Hα-helixtrans-74-31.3-175.300000112.7I167 T209 R210 G215 Q216 V217 N240I167-A213 HydrophobicContact CD1-CB 4.15Å; T209-A213 VanDerWaalsContact O-CB 3.26Å; T209-A213 WeakPolarHBondContact O-CB 3.34Å; T209-A213 PolarHBondContact O-N 3.48Å; R210-A213 PolarHBondContact O-N 2.97Å; A213-G215 PolarHBondContact O-N 2.63Å; A213-Q216 PolarHBondContact O-N 2.71Å; A213-V217 HydrophobicContact CB-CB 4.19Å; A213-N240 WeakPolarHBondContact CB-OD1 3.26Å
214R86.4Confident92.8Very high181 Ų18139.9 Ų39.968%0.68319%0.187SC*.THydrogen-bonded Turntrans51.629.2177.4-57.9-177.4175.7-178-3.7114.3R210 E211 Q216R210-R214 PolarHBondContact O-N 2.77Å; E211-R214 WeakPolarHBondContact O-CG 3.33Å; R214-Q216 PolarHBondContact O-N 2.8Å
215G82.1Confident92.3Very high23 Ų2334.9 Ų34.924%0.23717%0.166CC..THydrogen-bonded Turntrans69.47.5-175.600000115.3A213A213-G215 PolarHBondContact O-N 2.63Å
216Q84.3Confident91.7Very high118 Ų11840.4 Ų40.455%0.55120%0.195SC*.SBendtrans-98-12.4-177.9-63.1-175.1-29.800113.5A213 R214A213-Q216 PolarHBondContact O-N 2.71Å; R214-Q216 PolarHBondContact O-N 2.8Å
217V91.9Very high91.3Very high0 Ų045.9 Ų45.90%023%0.225CC..EExtended strand (participates in β ladder)trans-121.8124.1-177.6179.10000109.1I167 L170 S185 I187 A213 I219I167-V217 HydrophobicContact CG2-CG2 4.48Å; L170-V217 HydrophobicContact CB-CG2 4.23Å; L170-V217 HydrophobicContact CD1-CB 4.46Å; L170-V217 HydrophobicContact CD1-CG1 3.57Å; L170-V217 HydrophobicContact CD1-CG2 4.02Å; S185-V217 WeakPolarHBondContact O-CA 3.45Å; I187-V217 HydrophobicContact CD1-CG1 3.64Å; I187-V217 HydrophobicContact CG1-CG1 3.71Å; A213-V217 HydrophobicContact CB-CB 4.19Å; V217-I219 HydrophobicContact CG1-CG1 4.33Å
218C93.8Very high91.1Very high4 Ų442.5 Ų42.53%0.02721%0.207CC..EExtended strand (participates in β ladder)trans-90.8129.8172.4-60.30000111.6S185 L186 I187 F220 N240 C241 N291S185-C218 PolarHBondContact O-N 2.88Å; L186-C218 CarbonylContact C-O 3.58Å; L186-C218 WeakPolarHBondContact CA-O 3.38Å; L186-C218 HydrophobicContact CD2-CB 3.83Å; I187-C218 PolarHBondContact N-O 2.98Å; C218-F220 HydrophobicContact CB-CE2 3.81Å; C218-F220 HydrophobicContact CB-CZ 4.46Å; C218-N240 CarbonylContact C-O 3.57Å; C218-N240 WeakPolarHBondContact CA-O 3.15Å; C218-C241 WeakPolarHBondContact CA-SG 3.24Å; C218-C241 HydrophobicContact CB-CB 4.12Å; C218-C241 VanDerWaalsContact CB-O 3.25Å; C218-C241 WeakPolarHBondContact CB-O 3.24Å; C218-C241 WeakPolarHBondContact CB-SG 3.3Å; C218-C241 WeakPolarHBondContact SG-CB 3.37Å; C218-C241 PolarHBondContact SG-O 2.97Å; C218-C241 CovalentContact SG-SG 2.04Å; C218-C241 PolarHBondContact SG-SG 2.88Å; C218-N291 PolarHBondContact SG-ND2 3.25Å
219I96.3Very high91Very high0 Ų041.3 Ų41.30%020%0.2CC..EExtended strand (participates in β ladder)trans-111.6116-175-53.8178.6000108.8L163 I167 I187 T209 V217 T221 S237 N240 G242L163-I219 HydrophobicContact CD2-CD1 4.49Å; L163-I219 HydrophobicContact CD2-CG2 4.28Å; I167-I219 HydrophobicContact CD1-CD1 4.33Å; I187-I219 HydrophobicContact CB-CG1 4.31Å; I187-I219 HydrophobicContact CB-CG2 4.4Å; I187-I219 HydrophobicContact CD1-CG1 4.29Å; I187-I219 HydrophobicContact CG2-CG2 4.31Å; T209-I219 HydrophobicContact CG2-CD1 3.31Å; V217-I219 HydrophobicContact CG1-CG1 4.33Å; I219-T221 HydrophobicContact CG2-CG2 4.07Å; I219-S237 VanDerWaalsContact O-CA 3.25Å; I219-S237 WeakPolarHBondContact O-CA 3.46Å; I219-S237 VanDerWaalsContact O-CB 3.31Å; I219-S237 WeakPolarHBondContact O-CB 3.3Å; I219-S237 PolarHBondContact O-OG 3.14Å; I219-N240 HydrophobicContact CB-CB 4.02Å; I219-N240 HydrophobicContact CD1-CB 3.8Å; I219-N240 HydrophobicContact CG1-CB 3.75Å; I219-N240 PolarHBondContact N-O 3.46Å; I219-G242 VanDerWaalsContact O-CA 3.31Å; I219-G242 WeakPolarHBondContact O-CA 3.39Å
220F95.7Very high90.8Very high4 Ų443.1 Ų43.12%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-105.7115.7177.9-72.2-81.1000108.3L186 I187 V188 F189 C218 L243 F260 I264 F293L186-F220 HydrophobicContact CD2-CD2 4.49Å; L186-F220 HydrophobicContact CD2-CE2 3.85Å; I187-F220 PolarHBondContact O-N 2.88Å; V188-F220 CarbonylContact C-O 3.56Å; V188-F220 WeakPolarHBondContact CA-O 3.31Å; F189-F220 PolarHBondContact N-O 3.45Å; C218-F220 HydrophobicContact CB-CE2 3.81Å; C218-F220 HydrophobicContact CB-CZ 4.46Å; F220-L243 WeakPolarHBondContact CA-O 3.49Å; F220-L243 HydrophobicContact CD1-CB 4.3Å; F220-L243 HydrophobicContact CE1-CB 4.37Å; F220-F260 HydrophobicContact CB-CE1 3.83Å; F220-F260 HydrophobicContact CB-CZ 3.68Å; F220-F260 HydrophobicContact CD1-CE1 4.46Å; F220-F260 HydrophobicContact CD1-CE2 4.41Å; F220-F260 AromaticContact CD1-CZ 3.72Å; F220-F260 HydrophobicContact CD1-CZ 3.72Å; F220-F260 HydrophobicContact CG-CE1 4.47Å; F220-F260 HydrophobicContact CG-CZ 4.11Å; F220-I264 HydrophobicContact CB-CD1 4.21Å; F220-I264 HydrophobicContact CD1-CD1 4.26Å; F220-I264 HydrophobicContact CD1-CG2 3.95Å; F220-I264 HydrophobicContact CD2-CD1 3.94Å; F220-I264 HydrophobicContact CE1-CG2 3.56Å; F220-I264 HydrophobicContact CE2-CD1 4.42Å; F220-I264 HydrophobicContact CE2-CG2 4.43Å; F220-I264 HydrophobicContact CG-CD1 3.85Å; F220-I264 HydrophobicContact CZ-CG2 3.84Å; F220-F293 HydrophobicContact CE2-CZ 4.32Å; F220-F293 AromaticContact CZ-CE2 3.8Å; F220-F293 HydrophobicContact CZ-CE2 3.8Å; F220-F293 HydrophobicContact CZ-CZ 4.05Å
221T95.6Very high90.7Very high0 Ų044.9 Ų44.90%022%0.215CC..EExtended strand (participates in β ladder)trans-104.9142.6-177.160.70000112F189 I219 L233 L236 S237 L243 T244 R245F189-T221 HydrophobicContact CB-CG2 4.12Å; F189-T221 HydrophobicContact CD1-CG2 4.2Å; F189-T221 HydrophobicContact CG-CG2 4.49Å; F189-T221 CarbonylContact O-C 3.57Å; F189-T221 VanDerWaalsContact O-CA 3.3Å; F189-T221 WeakPolarHBondContact O-CA 3.04Å; I219-T221 HydrophobicContact CG2-CG2 4.07Å; T221-L233 HydrophobicContact CG2-CB 4.42Å; T221-L233 HydrophobicContact CG2-CD2 4.14Å; T221-L233 PolarHBondContact OG1-O 3.3Å; T221-L236 HydrophobicContact CG2-CB 4.26Å; T221-S237 WeakPolarHBondContact CB-OG 2.8Å; T221-S237 WeakPolarHBondContact CG2-OG 3.09Å; T221-S237 PolarHBondContact N-OG 3.12Å; T221-S237 VanDerWaalsContact N-OG 3.17Å; T221-S237 PolarHBondContact OG1-OG 3.08Å; T221-L243 PolarHBondContact N-O 3.07Å; T221-L243 VanDerWaalsContact N-O 3.15Å; T221-T244 CarbonylContact O-C 3.54Å; T221-T244 VanDerWaalsContact O-CA 3.24Å; T221-T244 WeakPolarHBondContact O-CA 3.34Å; T221-T244 WeakPolarHBondContact OG1-CB 3.27Å; T221-T244 VanDerWaalsContact OG1-CG2 3.32Å; T221-T244 WeakPolarHBondContact OG1-CG2 3.47Å; T221-T244 PolarHBondContact OG1-OG1 2.81Å; T221-R245 PolarHBondContact O-N 2.91Å
222I93.4Very high90.8Very high3 Ų338.4 Ų38.42%0.01519%0.185CC..EExtended strand (participates in β ladder)trans-129.3113.5178.2-50.5175.4000107.6V188 F189 L190 T191 R245 V247 L257 F260V188-I222 HydrophobicContact CG1-CD1 4.02Å; F189-I222 PolarHBondContact O-N 2.77Å; L190-I222 WeakPolarHBondContact CA-O 3.18Å; L190-I222 HydrophobicContact CD1-CB 4.01Å; L190-I222 HydrophobicContact CD1-CD1 4.49Å; L190-I222 HydrophobicContact CD1-CG2 4.03Å; T191-I222 PolarHBondContact N-O 2.82Å; T191-I222 VanDerWaalsContact N-O 3.13Å; I222-R245 WeakPolarHBondContact CA-O 3.4Å; I222-V247 HydrophobicContact CG2-CG2 3.63Å; I222-L257 HydrophobicContact CB-CD2 4.32Å; I222-L257 HydrophobicContact CD1-CD2 3.45Å; I222-L257 VanDerWaalsContact CD1-CD2 3.45Å; I222-L257 HydrophobicContact CG1-CD2 4.45Å; I222-L257 HydrophobicContact CG2-CD2 3.72Å; I222-F260 HydrophobicContact CD1-CD1 3.36Å; I222-F260 HydrophobicContact CD1-CE1 3.62Å; I222-F260 HydrophobicContact CD1-CG 4.22Å; I222-F260 HydrophobicContact CG1-CD1 3.84Å; I222-F260 HydrophobicContact CG1-CE1 3.7Å; I222-F260 HydrophobicContact CG1-CZ 4.33Å
223G93.4Very high90.8Very high0 Ų037.6 Ų37.60%018%0.178CC..EExtended strand (participates in β ladder)trans-98.1118.4178.400000110.5T191 R245 R246 V247T191-G223 WeakPolarHBondContact O-CA 3.46Å; G223-R245 PolarHBondContact N-O 2.8Å; G223-R246 WeakPolarHBondContact O-CA 3.21Å; G223-V247 PolarHBondContact O-N 3.47Å
224I90.3Very high90.9Very high1 Ų140.8 Ų40.81%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-93.1130.4176-58.4172.4000109.3M92 K96 L190 T191 D192 V247 E249M92-I224 HydrophobicContact CE-CD1 4.1Å; M92-I224 HydrophobicContact SD-CD1 4.49Å; K96-I224 HydrophobicContact CD-CG2 3.75Å; K96-I224 HydrophobicContact CG-CG2 3.97Å; L190-I224 HydrophobicContact CD1-CD1 3.91Å; L190-I224 HydrophobicContact CD1-CG1 4.33Å; L190-I224 HydrophobicContact CD2-CD1 3.82Å; L190-I224 HydrophobicContact CG-CD1 3.99Å; L190-I224 HydrophobicContact CG-CG1 4.5Å; T191-I224 PolarHBondContact O-N 2.72Å; D192-I224 VanDerWaalsContact CA-O 3.3Å; D192-I224 WeakPolarHBondContact CA-O 3.04Å; D192-I224 HydrophobicContact CB-CB 3.99Å; D192-I224 HydrophobicContact CB-CG2 4.47Å; D192-I224 WeakPolarHBondContact CB-O 3.08Å; I224-V247 WeakPolarHBondContact CA-O 3.45Å; I224-V247 HydrophobicContact CG1-CB 4.44Å; I224-E249 HydrophobicContact CG2-CG 4.43Å
225G86.3Confident91.2Very high2 Ų232.5 Ų32.52%0.02116%0.162CC..SBendtrans73.2-169.4176.300000114.7V247G225-V247 PolarHBondContact N-O 2.94Å
226N84.5Confident91.8Very high115 Ų11531.4 Ų31.462%0.61515%0.151SC*.SBendtrans-99.3-13.7-173.3-68.5-35.9000113.4V228N226-V228 VanDerWaalsContact C-N 3.3Å; N226-V228 PolarHBondContact O-N 2.95Å
227D85.5Confident92.3Very high115 Ų11525.8 Ų25.862%0.61512%0.124SC*.SBendtrans-82.2-9.3-177.4-66.5-39.4000113.6K194K194-D227 WeakPolarHBondContact CE-O 3.41Å; K194-D227 WeakPolarHBondContact CG-O 3.34Å
228V91Very high92.2Very high9 Ų927 Ų276%0.05513%0.13CC..SBendtrans-69142.6178.568.70000112.3T191 D192 N226 F230 L233T191-V228 HydrophobicContact CG2-CG2 3.92Å; D192-V228 PolarHBondContact O-N 3.44Å; N226-V228 VanDerWaalsContact C-N 3.3Å; N226-V228 PolarHBondContact O-N 2.95Å; V228-F230 HydrophobicContact CG1-CB 4.35Å; V228-F230 PolarHBondContact O-N 2.79Å; V228-L233 HydrophobicContact CG2-CD1 3.43Å; V228-L233 VanDerWaalsContact CG2-CD1 3.43Å; V228-L233 HydrophobicContact CG2-CG 4.16Å
229D93.2Very high92Very high39 Ų3927.3 Ų27.321%0.20913%0.132CC..  trans-74.677.3167.6-171.3-12.7000110.1K194 R231 L232 L233K194-D229 HydrophobicContact CG-CB 4.07Å; D229-R231 PolarHBondContact O-N 2.76Å; D229-R231 PolarHBondContact OD1-N 2.71Å; D229-L232 HydrophobicContact CB-CB 4.04Å; D229-L232 VanDerWaalsContact CG-CB 3.43Å; D229-L232 WeakPolarHBondContact O-CB 3.46Å; D229-L232 PolarHBondContact O-N 3.22Å; D229-L232 PolarHBondContact OD1-N 3.24Å; D229-L233 PolarHBondContact O-N 2.89Å; D229-L233 VanDerWaalsContact O-N 3.11Å
230F92.2Very high91.8Very high39 Ų3927.4 Ų27.417%0.17113%0.132CC..Hα-helixtrans-60.9-32.4-176.6-167.4-95.5000112.6V228 L233 E234 T244 R246V228-F230 HydrophobicContact CG1-CB 4.35Å; V228-F230 PolarHBondContact O-N 2.79Å; F230-L233 PolarHBondContact O-N 2.82Å; F230-E234 HydrophobicContact CD1-CB 4.46Å; F230-E234 HydrophobicContact CE1-CB 4.36Å; F230-E234 VanDerWaalsContact O-CB 3.26Å; F230-E234 WeakPolarHBondContact O-CB 3.25Å; F230-E234 PolarHBondContact O-N 3.02Å; F230-T244 HydrophobicContact CD2-CG2 4.15Å; F230-T244 HydrophobicContact CE1-CG2 4.39Å; F230-T244 HydrophobicContact CE2-CG2 3.47Å; F230-T244 VanDerWaalsContact CE2-CG2 3.47Å; F230-T244 HydrophobicContact CZ-CG2 3.63Å; F230-R246 HydrophobicContact CD2-CB 4.23Å; F230-R246 HydrophobicContact CD2-CG 4.39Å; F230-R246 HydrophobicContact CE2-CB 3.55Å; F230-R246 HydrophobicContact CE2-CG 4.2Å; F230-R246 HydrophobicContact CZ-CB 4.19Å
231R91Very high91.4Very high134 Ų13427.4 Ų27.451%0.50613%0.133SC..Hα-helixtrans-68-39.8179.7-171-179.8-177.9-157.12111.2D229 K235 L376D229-R231 PolarHBondContact O-N 2.76Å; D229-R231 PolarHBondContact OD1-N 2.71Å; R231-K235 PolarHBondContact O-N 3.01Å; R231-K235 VanDerWaalsContact O-N 3.08Å; R231-L376 HydrophobicContact CG-CD1 4.49Å
232L94.4Very high91.1Very high1 Ų127.4 Ų27.41%0.00513%0.133CC..Hα-helixtrans-60.9-48.5170.7170.560.5000110.9I159 P195 T202 I205 L206 D229 E234 K235 L236I159-L232 HydrophobicContact CD1-CD2 4.25Å; P195-L232 HydrophobicContact CG-CD2 4.03Å; T202-L232 HydrophobicContact CG2-CB 4.1Å; T202-L232 HydrophobicContact CG2-CD1 3.67Å; T202-L232 HydrophobicContact CG2-CG 4.39Å; I205-L232 HydrophobicContact CB-CD1 4.38Å; I205-L232 HydrophobicContact CD1-CD2 4.13Å; I205-L232 HydrophobicContact CG2-CD1 4.32Å; L206-L232 HydrophobicContact CD2-CD1 4.15Å; L206-L232 HydrophobicContact CG-CD1 4.14Å; D229-L232 HydrophobicContact CB-CB 4.04Å; D229-L232 VanDerWaalsContact CG-CB 3.43Å; D229-L232 WeakPolarHBondContact O-CB 3.46Å; D229-L232 PolarHBondContact O-N 3.22Å; D229-L232 PolarHBondContact OD1-N 3.24Å; L232-E234 VanDerWaalsContact C-N 3.35Å; L232-E234 PolarHBondContact O-N 3.46Å; L232-K235 PolarHBondContact O-N 3.14Å; L232-L236 HydrophobicContact CD1-CD1 3.95Å; L232-L236 HydrophobicContact CD1-CG 4.03Å; L232-L236 HydrophobicContact CG-CD1 3.98Å; L232-L236 HydrophobicContact CG-CG 4.49Å; L232-L236 WeakPolarHBondContact O-CB 3.44Å; L232-L236 WeakPolarHBondContact O-CG 3.44Å; L232-L236 PolarHBondContact O-N 3.09Å
233L95.6Very high90.9Very high1 Ų130.5 Ų30.51%0.00515%0.149CC..Hα-helixtrans-61.6-41.5-179.3-67.6-167.4000113F189 T191 T221 V228 D229 F230 L236 S237 T244F189-L233 HydrophobicContact CD1-CD2 4.12Å; F189-L233 HydrophobicContact CE1-CD2 4Å; T191-L233 HydrophobicContact CG2-CD1 3.8Å; T191-L233 HydrophobicContact CG2-CD2 3.9Å; T191-L233 HydrophobicContact CG2-CG 4.36Å; T221-L233 HydrophobicContact CG2-CB 4.42Å; T221-L233 HydrophobicContact CG2-CD2 4.14Å; T221-L233 PolarHBondContact OG1-O 3.3Å; V228-L233 HydrophobicContact CG2-CD1 3.43Å; V228-L233 VanDerWaalsContact CG2-CD1 3.43Å; V228-L233 HydrophobicContact CG2-CG 4.16Å; D229-L233 PolarHBondContact O-N 2.89Å; D229-L233 VanDerWaalsContact O-N 3.11Å; F230-L233 PolarHBondContact O-N 2.82Å; L233-L236 HydrophobicContact CD2-CD1 4.29Å; L233-L236 PolarHBondContact O-N 3.4Å; L233-S237 PolarHBondContact O-N 3.36Å; L233-S237 VanDerWaalsContact O-N 3.13Å; L233-S237 PolarHBondContact O-OG 3.11Å; L233-T244 HydrophobicContact CB-CG2 4.02Å; L233-T244 PolarHBondContact O-OG1 3.15Å
234E92.7Very high90.8Very high67 Ų6731.3 Ų31.331%0.31315%0.154SC..Hα-helixtrans-63.9-48.1177.4-172.2175.4-139.100111.1F230 L232 L236 S237 L238 T244 L376F230-E234 HydrophobicContact CD1-CB 4.46Å; F230-E234 HydrophobicContact CE1-CB 4.36Å; F230-E234 VanDerWaalsContact O-CB 3.26Å; F230-E234 WeakPolarHBondContact O-CB 3.25Å; F230-E234 PolarHBondContact O-N 3.02Å; L232-E234 VanDerWaalsContact C-N 3.35Å; L232-E234 PolarHBondContact O-N 3.46Å; E234-L236 PolarHBondContact O-N 2.76Å; E234-S237 PolarHBondContact O-N 2.99Å; E234-L238 HydrophobicContact CG-CD1 3.79Å; E234-L238 HydrophobicContact CG-CG 4.38Å; E234-L238 VanDerWaalsContact O-CB 3.27Å; E234-L238 WeakPolarHBondContact O-CB 3.49Å; E234-L238 WeakPolarHBondContact O-CG 3.15Å; E234-L238 PolarHBondContact O-N 3.37Å; E234-T244 VanDerWaalsContact CA-OG1 3.27Å; E234-T244 WeakPolarHBondContact CA-OG1 3.4Å; E234-T244 PolarHBondContact N-OG1 3.41Å; E234-L376 HydrophobicContact CG-CD2 3.72Å; E234-L376 WeakPolarHBondContact OE2-CD2 3.13Å
235K92.8Very high90.8Very high7 Ų734.4 Ų34.43%0.0317%0.166CC..Hα-helixtrans-60.6-43.3174.3-77.8-174.2168.6-113.20112.1L206 R231 L232 S237 L238 E239 L376 D379L206-K235 HydrophobicContact CD1-CB 3.95Å; L206-K235 HydrophobicContact CD1-CD 3.59Å; L206-K235 HydrophobicContact CD1-CG 4.44Å; L206-K235 HydrophobicContact CD2-CB 3.62Å; L206-K235 HydrophobicContact CG-CB 4.46Å; R231-K235 PolarHBondContact O-N 3.01Å; R231-K235 VanDerWaalsContact O-N 3.08Å; L232-K235 PolarHBondContact O-N 3.14Å; K235-S237 PolarHBondContact O-N 3.47Å; K235-L238 PolarHBondContact O-N 2.96Å; K235-E239 WeakPolarHBondContact O-CB 3.49Å; K235-E239 VanDerWaalsContact O-CG 3.27Å; K235-E239 WeakPolarHBondContact O-CG 3.29Å; K235-E239 PolarHBondContact O-N 3.02Å; K235-L376 WeakPolarHBondContact CE-O 3.47Å; K235-L376 HydrophobicContact CG-CG 4.39Å; K235-L376 PolarHBondContact NZ-O 3.44Å; K235-D379 IonicContact NZ-OD1 3.76Å; K235-D379 PolarHBondContact NZ-OD1 2.57Å
236L94.6Very high90.9Very high0 Ų038.5 Ų38.50%018%0.181CC..Hα-helixtrans-56.1-48.4178.6-81.6168.7000111.9I159 L163 I205 L206 T209 T221 L232 L233 E234 N240I159-L236 HydrophobicContact CG2-CD1 4.48Å; L163-L236 HydrophobicContact CD1-CD1 3.91Å; L163-L236 HydrophobicContact CD1-CD2 3.85Å; I205-L236 HydrophobicContact CG2-CD2 4.44Å; L206-L236 HydrophobicContact CD2-CB 4.4Å; L206-L236 HydrophobicContact CD2-CD2 3.83Å; L206-L236 HydrophobicContact CD2-CG 3.78Å; T209-L236 HydrophobicContact CG2-CD2 3.87Å; T221-L236 HydrophobicContact CG2-CB 4.26Å; L232-L236 HydrophobicContact CD1-CD1 3.95Å; L232-L236 HydrophobicContact CD1-CG 4.03Å; L232-L236 HydrophobicContact CG-CD1 3.98Å; L232-L236 HydrophobicContact CG-CG 4.49Å; L232-L236 WeakPolarHBondContact O-CB 3.44Å; L232-L236 WeakPolarHBondContact O-CG 3.44Å; L232-L236 PolarHBondContact O-N 3.09Å; L233-L236 HydrophobicContact CD2-CD1 4.29Å; L233-L236 PolarHBondContact O-N 3.4Å; E234-L236 PolarHBondContact O-N 2.76Å; L236-N240 WeakPolarHBondContact O-CB 3.37Å; L236-N240 PolarHBondContact O-N 3.36Å; L236-N240 PolarHBondContact O-ND2 3.02Å
237S93.6Very high91Very high0 Ų033 Ų330%015%0.151CC..Hα-helixtrans-69.8-45.3179.8-62.20000112.3I219 T221 L233 E234 K235 E239 N240 C241 G242 L243 T244I219-S237 VanDerWaalsContact O-CA 3.25Å; I219-S237 WeakPolarHBondContact O-CA 3.46Å; I219-S237 VanDerWaalsContact O-CB 3.31Å; I219-S237 WeakPolarHBondContact O-CB 3.3Å; I219-S237 PolarHBondContact O-OG 3.14Å; T221-S237 WeakPolarHBondContact CB-OG 2.8Å; T221-S237 WeakPolarHBondContact CG2-OG 3.09Å; T221-S237 PolarHBondContact N-OG 3.12Å; T221-S237 VanDerWaalsContact N-OG 3.17Å; T221-S237 PolarHBondContact OG1-OG 3.08Å; L233-S237 PolarHBondContact O-N 3.36Å; L233-S237 VanDerWaalsContact O-N 3.13Å; L233-S237 PolarHBondContact O-OG 3.11Å; E234-S237 PolarHBondContact O-N 2.99Å; K235-S237 PolarHBondContact O-N 3.47Å; S237-E239 VanDerWaalsContact C-N 3.3Å; S237-E239 PolarHBondContact O-N 3.25Å; S237-N240 CarbonylContact O-C 3.58Å; S237-N240 VanDerWaalsContact O-C 3.24Å; S237-N240 PolarHBondContact O-N 2.88Å; S237-N240 VanDerWaalsContact O-N 3.09Å; S237-C241 PolarHBondContact O-N 2.72Å; S237-G242 PolarHBondContact O-N 3.26Å; S237-L243 PolarHBondContact OG-O 3.46Å; S237-T244 WeakPolarHBondContact CB-OG1 3.29Å; S237-T244 PolarHBondContact OG-OG1 3.18Å
238L90Very high90.8Very high25 Ų2531.5 Ų31.513%0.13114%0.14CC..Hα-helixtrans-62.3-35.7-178.5-75.7175.7000112.7E234 K235 N240 L376 Q377E234-L238 HydrophobicContact CG-CD1 3.79Å; E234-L238 HydrophobicContact CG-CG 4.38Å; E234-L238 VanDerWaalsContact O-CB 3.27Å; E234-L238 WeakPolarHBondContact O-CB 3.49Å; E234-L238 WeakPolarHBondContact O-CG 3.15Å; E234-L238 PolarHBondContact O-N 3.37Å; K235-L238 PolarHBondContact O-N 2.96Å; L238-N240 VanDerWaalsContact C-N 3.31Å; L238-L376 HydrophobicContact CD1-CD2 3.69Å; L238-Q377 HydrophobicContact CB-CG 4.31Å; L238-Q377 PolarHBondContact O-NE2 3.19Å
239E89.9Confident90Very high12 Ų1235.3 Ų35.36%0.05616%0.158CC..Hα-helixtrans-77.3-17.9177.4-70.3-178.1-164.300113.6R210 K235 S237R210-E239 IonicContact CZ-OE2 3.68Å; R210-E239 VanDerWaalsContact CZ-OE2 3.32Å; R210-E239 IonicContact NE-OE2 3.65Å; R210-E239 PolarHBondContact NE-OE2 2.96Å; R210-E239 VanDerWaalsContact NE-OE2 3.07Å; R210-E239 IonicContact NH2-OE1 3.28Å; R210-E239 PolarHBondContact NH2-OE1 3.4Å; R210-E239 VanDerWaalsContact NH2-OE1 3.11Å; R210-E239 IonicContact NH2-OE2 3.38Å; R210-E239 PolarHBondContact NH2-OE2 3.42Å; K235-E239 WeakPolarHBondContact O-CB 3.49Å; K235-E239 VanDerWaalsContact O-CG 3.27Å; K235-E239 WeakPolarHBondContact O-CG 3.29Å; K235-E239 PolarHBondContact O-N 3.02Å; S237-E239 VanDerWaalsContact C-N 3.3Å; S237-E239 PolarHBondContact O-N 3.25Å
240N91.3Very high88.8Confident1 Ų143 Ų431%0.00519%0.192CC..THydrogen-bonded Turntrans-128.850.8-174.4-59-84.8000110.5A213 C218 I219 L236 S237 L238 G242A213-N240 WeakPolarHBondContact CB-OD1 3.26Å; C218-N240 CarbonylContact C-O 3.57Å; C218-N240 WeakPolarHBondContact CA-O 3.15Å; I219-N240 HydrophobicContact CB-CB 4.02Å; I219-N240 HydrophobicContact CD1-CB 3.8Å; I219-N240 HydrophobicContact CG1-CB 3.75Å; I219-N240 PolarHBondContact N-O 3.46Å; L236-N240 WeakPolarHBondContact O-CB 3.37Å; L236-N240 PolarHBondContact O-N 3.36Å; L236-N240 PolarHBondContact O-ND2 3.02Å; S237-N240 CarbonylContact O-C 3.58Å; S237-N240 VanDerWaalsContact O-C 3.24Å; S237-N240 PolarHBondContact O-N 2.88Å; S237-N240 VanDerWaalsContact O-N 3.09Å; L238-N240 VanDerWaalsContact C-N 3.31Å; N240-G242 PolarHBondContact O-N 2.89Å
241C87.9Confident87.7Confident4 Ų445.8 Ų45.83%0.02721%0.206CC..THydrogen-bonded Turntrans46.135.2168.861.20000117.3C218 S237 P290 V438 R439C218-C241 WeakPolarHBondContact CA-SG 3.24Å; C218-C241 HydrophobicContact CB-CB 4.12Å; C218-C241 VanDerWaalsContact CB-O 3.25Å; C218-C241 WeakPolarHBondContact CB-O 3.24Å; C218-C241 WeakPolarHBondContact CB-SG 3.3Å; C218-C241 WeakPolarHBondContact SG-CB 3.37Å; C218-C241 PolarHBondContact SG-O 2.97Å; C218-C241 CovalentContact SG-SG 2.04Å; C218-C241 PolarHBondContact SG-SG 2.88Å; S237-C241 PolarHBondContact O-N 2.72Å; C241-P290 HydrophobicContact CB-CB 4.08Å; C241-P290 HydrophobicContact CB-CG 3.67Å; C241-V438 HydrophobicContact CB-CG1 4.24Å; C241-V438 WeakPolarHBondContact O-CG1 3.18Å; C241-R439 WeakPolarHBondContact CA-O 3.08Å; C241-R439 WeakPolarHBondContact CB-O 3.21Å; C241-R439 PolarHBondContact N-O 3.02Å
242G89.3Confident86.9Confident1 Ų143.5 Ų43.51%0.0120%0.204CC..  trans-128.1-169.6170.500000113.2I219 S237 N240I219-G242 VanDerWaalsContact O-CA 3.31Å; I219-G242 WeakPolarHBondContact O-CA 3.39Å; S237-G242 PolarHBondContact O-N 3.26Å; N240-G242 PolarHBondContact O-N 2.89Å
243L89.2Confident86Confident67 Ų6743.5 Ų43.535%0.35120%0.204SC..  trans-128.2152.2179.7-177.665.9000109.5F220 T221 S237 F260F220-L243 WeakPolarHBondContact CA-O 3.49Å; F220-L243 HydrophobicContact CD1-CB 4.3Å; F220-L243 HydrophobicContact CE1-CB 4.37Å; T221-L243 PolarHBondContact N-O 3.07Å; T221-L243 VanDerWaalsContact N-O 3.15Å; S237-L243 PolarHBondContact OG-O 3.46Å; L243-F260 HydrophobicContact CB-CE2 4.49Å; L243-F260 HydrophobicContact CD2-CE2 4.47Å
244T91.2Very high85.3Confident18 Ų1843.8 Ų43.811%0.1121%0.207CC..EExtended strand (participates in β ladder)trans-105.2132.8172.6-59.90000111.2T221 F230 L233 E234 S237T221-T244 CarbonylContact O-C 3.54Å; T221-T244 VanDerWaalsContact O-CA 3.24Å; T221-T244 WeakPolarHBondContact O-CA 3.34Å; T221-T244 WeakPolarHBondContact OG1-CB 3.27Å; T221-T244 VanDerWaalsContact OG1-CG2 3.32Å; T221-T244 WeakPolarHBondContact OG1-CG2 3.47Å; T221-T244 PolarHBondContact OG1-OG1 2.81Å; F230-T244 HydrophobicContact CD2-CG2 4.15Å; F230-T244 HydrophobicContact CE1-CG2 4.39Å; F230-T244 HydrophobicContact CE2-CG2 3.47Å; F230-T244 VanDerWaalsContact CE2-CG2 3.47Å; F230-T244 HydrophobicContact CZ-CG2 3.63Å; L233-T244 HydrophobicContact CB-CG2 4.02Å; L233-T244 PolarHBondContact O-OG1 3.15Å; E234-T244 VanDerWaalsContact CA-OG1 3.27Å; E234-T244 WeakPolarHBondContact CA-OG1 3.4Å; E234-T244 PolarHBondContact N-OG1 3.41Å; S237-T244 WeakPolarHBondContact CB-OG1 3.29Å; S237-T244 PolarHBondContact OG-OG1 3.18Å
245R90.2Very high84.8Confident65 Ų6544 Ų4425%0.24522%0.216CC..EExtended strand (participates in β ladder)trans-112.5133171.6-173.566.168.7-178.92.2109.9T221 I222 G223 V247 F260 E263T221-R245 PolarHBondContact O-N 2.91Å; I222-R245 WeakPolarHBondContact CA-O 3.4Å; G223-R245 PolarHBondContact N-O 2.8Å; R245-V247 HydrophobicContact CG-CG2 4.35Å; R245-F260 HydrophobicContact CB-CD2 3.87Å; R245-F260 HydrophobicContact CB-CE2 4.09Å; R245-F260 HydrophobicContact CB-CG 4.35Å; R245-F260 HydrophobicContact CG-CD2 4.41Å; R245-E263 IonicContact CZ-OE1 2.9Å; R245-E263 IonicContact NH2-OE1 3.86Å; R245-E263 PolarHBondContact NH2-OE1 3.18Å; R245-E263 IonicContact NH2-OE2 3.11Å
246R89Confident84.4Confident89 Ų8945.9 Ų45.934%0.33623%0.225SC..EExtended strand (participates in β ladder)trans-91137.3165.9-167.7173.2-71-144.63.2108.8G223 F230G223-R246 WeakPolarHBondContact O-CA 3.21Å; F230-R246 HydrophobicContact CD2-CB 4.23Å; F230-R246 HydrophobicContact CD2-CG 4.39Å; F230-R246 HydrophobicContact CE2-CB 3.55Å; F230-R246 HydrophobicContact CE2-CG 4.2Å; F230-R246 HydrophobicContact CZ-CB 4.19Å
247V86.2Confident83.9Confident0 Ų046.3 Ų46.30%023%0.227CC..EExtended strand (participates in β ladder)trans-123118.9176177.70000107.9I222 G223 I224 G225 R245 A253 Q256I222-V247 HydrophobicContact CG2-CG2 3.63Å; G223-V247 PolarHBondContact O-N 3.47Å; I224-V247 WeakPolarHBondContact CA-O 3.45Å; I224-V247 HydrophobicContact CG1-CB 4.44Å; G225-V247 PolarHBondContact N-O 2.94Å; R245-V247 HydrophobicContact CG-CG2 4.35Å; V247-A253 VanDerWaalsContact CG1-CA 3.43Å; V247-A253 HydrophobicContact CG1-CB 3.42Å; V247-A253 VanDerWaalsContact CG1-CB 3.42Å; V247-Q256 HydrophobicContact CG1-CB 4.28Å; V247-Q256 HydrophobicContact CG2-CB 4.02Å
248H82.6Confident83.5Confident82 Ų8248.3 Ų48.338%0.3824%0.237SC..  trans-77.6142.5178.8-65-74.2000111.1E250 E251H248-E250 VanDerWaalsContact C-N 3.27Å; H248-E250 PolarHBondContact O-N 3.02Å; H248-E251 HydrophobicContact CB-CB 4.48Å; H248-E251 HydrophobicContact CB-CG 4.13Å; H248-E251 IonicContact CD2-OE2 3.83Å; H248-E251 PolarHBondContact O-N 2.69Å
249E73.9Confident83.3Confident90 Ų9048.6 Ų48.642%0.42125%0.246SC..THydrogen-bonded Turntrans-67.2-27.5-176.1-61.8-169.8159.600113.3K96 I224 E251K96-E249 HydrophobicContact CD-CG 4.4Å; K96-E249 WeakPolarHBondContact CD-OE1 3.08Å; K96-E249 WeakPolarHBondContact CE-OE1 3.21Å; K96-E249 IonicContact NZ-OE1 2.93Å; K96-E249 PolarHBondContact NZ-OE1 2.73Å; I224-E249 HydrophobicContact CG2-CG 4.43Å; E249-E251 VanDerWaalsContact C-N 3.32Å
250E68Low83.2Confident200 Ų20048.2 Ų48.294%0.93524%0.244SC*.THydrogen-bonded Turntrans-79.6-15.1-179.9-59.7-176-175.600113.1H248H248-E250 VanDerWaalsContact C-N 3.27Å; H248-E250 PolarHBondContact O-N 3.02Å
251E69.3Low83Confident97 Ų9748.3 Ų48.345%0.45325%0.245SC..SBendtrans-92.7168.4179.5-65.8-177.9150.100111.3H248 E249 A253 Q256H248-E251 HydrophobicContact CB-CB 4.48Å; H248-E251 HydrophobicContact CB-CG 4.13Å; H248-E251 IonicContact CD2-OE2 3.83Å; H248-E251 PolarHBondContact O-N 2.69Å; E249-E251 VanDerWaalsContact C-N 3.32Å; E251-A253 VanDerWaalsContact C-N 3.27Å; E251-A253 PolarHBondContact O-N 3.27Å; E251-Q256 VanDerWaalsContact CB-NE2 3.29Å; E251-Q256 PolarHBondContact OE2-NE2 3.03Å
252D74.3Confident83Confident86 Ų8651.5 Ų51.546%0.4626%0.262SS..  trans-72.286.5171.6-176.73.3000110G254 S255 Q256D252-G254 PolarHBondContact O-N 3Å; D252-G254 PolarHBondContact OD1-N 3.18Å; D252-G254 VanDerWaalsContact OD1-N 3.1Å; D252-S255 PolarHBondContact O-N 3.07Å; D252-S255 VanDerWaalsContact O-N 3.12Å; D252-S255 PolarHBondContact OD1-N 2.99Å; D252-S255 WeakPolarHBondContact OD2-CB 3.34Å; D252-S255 PolarHBondContact OD2-OG 2.81Å; D252-Q256 PolarHBondContact O-N 2.79Å; D252-Q256 VanDerWaalsContact O-N 3.16Å
253A75.6Confident83Confident2 Ų253.4 Ų53.42%0.01727%0.27CS..Hα-helixtrans-54.4-33.6177.700000112.1Q99 V247 E251 Q256 L257Q99-A253 HydrophobicContact CB-CB 4.38Å; V247-A253 VanDerWaalsContact CG1-CA 3.43Å; V247-A253 HydrophobicContact CG1-CB 3.42Å; V247-A253 VanDerWaalsContact CG1-CB 3.42Å; E251-A253 VanDerWaalsContact C-N 3.27Å; E251-A253 PolarHBondContact O-N 3.27Å; A253-Q256 PolarHBondContact O-N 3.2Å; A253-L257 WeakPolarHBondContact O-CB 3.37Å; A253-L257 WeakPolarHBondContact O-CD1 3.38Å; A253-L257 WeakPolarHBondContact O-CG 3.36Å; A253-L257 PolarHBondContact O-N 2.81Å
254G79.9Confident83Confident7 Ų750.5 Ų50.57%0.07226%0.255CS..Hα-helixtrans-64.3-47.117800000112.2D252 Q256 L257 I258D252-G254 PolarHBondContact O-N 3Å; D252-G254 PolarHBondContact OD1-N 3.18Å; D252-G254 VanDerWaalsContact OD1-N 3.1Å; G254-Q256 VanDerWaalsContact C-N 3.34Å; G254-Q256 PolarHBondContact O-N 3.03Å; G254-L257 WeakPolarHBondContact O-CB 3.27Å; G254-L257 PolarHBondContact O-N 3.44Å; G254-I258 WeakPolarHBondContact O-CG1 3.18Å; G254-I258 PolarHBondContact O-N 2.78Å
255S82.7Confident83Confident70 Ų7053.6 Ų53.649%0.4926%0.264SS..Hα-helixtrans-63.6-37.7176.8-72.60000112.7D252 I258 G259D252-S255 PolarHBondContact O-N 3.07Å; D252-S255 VanDerWaalsContact O-N 3.12Å; D252-S255 PolarHBondContact OD1-N 2.99Å; D252-S255 WeakPolarHBondContact OD2-CB 3.34Å; D252-S255 PolarHBondContact OD2-OG 2.81Å; S255-I258 PolarHBondContact O-N 2.79Å; S255-G259 PolarHBondContact O-N 2.86Å
256Q82.9Confident83Confident48 Ų4851.7 Ų51.722%0.22426%0.26CS..Hα-helixtrans-67.8-37.8176.6-68.8-17056.700112.7V247 E251 D252 A253 G254 G259 F260V247-Q256 HydrophobicContact CG1-CB 4.28Å; V247-Q256 HydrophobicContact CG2-CB 4.02Å; E251-Q256 VanDerWaalsContact CB-NE2 3.29Å; E251-Q256 PolarHBondContact OE2-NE2 3.03Å; D252-Q256 PolarHBondContact O-N 2.79Å; D252-Q256 VanDerWaalsContact O-N 3.16Å; A253-Q256 PolarHBondContact O-N 3.2Å; G254-Q256 VanDerWaalsContact C-N 3.34Å; G254-Q256 PolarHBondContact O-N 3.03Å; Q256-G259 PolarHBondContact O-N 2.85Å; Q256-F260 WeakPolarHBondContact O-CB 3.22Å; Q256-F260 PolarHBondContact O-N 3.32Å
257L84.1Confident83.2Confident9 Ų947.4 Ų47.45%0.04724%0.244CC..Hα-helixtrans-62.9-44.8175-73.6164.3000111.8A103 L190 I222 A253 G254 Y261A103-L257 HydrophobicContact CB-CB 3.79Å; A103-L257 HydrophobicContact CB-CD1 3.9Å; A103-L257 HydrophobicContact CB-CG 4.49Å; L190-L257 HydrophobicContact CD1-CD1 4.14Å; L190-L257 HydrophobicContact CD1-CD2 3.23Å; L190-L257 HydrophobicContact CD1-CG 4.31Å; I222-L257 HydrophobicContact CB-CD2 4.32Å; I222-L257 HydrophobicContact CD1-CD2 3.45Å; I222-L257 VanDerWaalsContact CD1-CD2 3.45Å; I222-L257 HydrophobicContact CG1-CD2 4.45Å; I222-L257 HydrophobicContact CG2-CD2 3.72Å; A253-L257 WeakPolarHBondContact O-CB 3.37Å; A253-L257 WeakPolarHBondContact O-CD1 3.38Å; A253-L257 WeakPolarHBondContact O-CG 3.36Å; A253-L257 PolarHBondContact O-N 2.81Å; G254-L257 WeakPolarHBondContact O-CB 3.27Å; G254-L257 PolarHBondContact O-N 3.44Å; L257-Y261 WeakPolarHBondContact O-CB 3.47Å; L257-Y261 PolarHBondContact O-N 2.82Å
258I86.9Confident83.3Confident42 Ų4247.6 Ų47.622%0.21525%0.245CC..Hα-helixtrans-63.8-49.1176.5-66.4164.8000109.9A103 T106 G254 S255 F260 Y261 D262A103-I258 HydrophobicContact CB-CG1 4.2Å; T106-I258 HydrophobicContact CG2-CD1 4.05Å; T106-I258 HydrophobicContact CG2-CG1 4.39Å; G254-I258 WeakPolarHBondContact O-CG1 3.18Å; G254-I258 PolarHBondContact O-N 2.78Å; S255-I258 PolarHBondContact O-N 2.79Å; I258-F260 VanDerWaalsContact C-N 3.32Å; I258-F260 PolarHBondContact O-N 2.74Å; I258-Y261 PolarHBondContact O-N 3.14Å; I258-D262 PolarHBondContact O-N 3.13Å
259G85.3Confident83.7Confident31 Ų3143.9 Ų43.932%0.3223%0.228SC..Hα-helixtrans-58.5-42178.800000112.8S255 Q256 D262 E263S255-G259 PolarHBondContact O-N 2.86Å; Q256-G259 PolarHBondContact O-N 2.85Å; G259-D262 WeakPolarHBondContact O-CB 3.43Å; G259-D262 PolarHBondContact O-N 2.94Å; G259-E263 PolarHBondContact O-N 3.07Å
260F86.8Confident84.4Confident3 Ų340.3 Ų40.31%0.01321%0.213CC..Hα-helixtrans-64.1-41.8174176.8-103.8000112.5F220 I222 L243 R245 Q256 I258 D262 E263 I264F220-F260 HydrophobicContact CB-CE1 3.83Å; F220-F260 HydrophobicContact CB-CZ 3.68Å; F220-F260 HydrophobicContact CD1-CE1 4.46Å; F220-F260 HydrophobicContact CD1-CE2 4.41Å; F220-F260 AromaticContact CD1-CZ 3.72Å; F220-F260 HydrophobicContact CD1-CZ 3.72Å; F220-F260 HydrophobicContact CG-CE1 4.47Å; F220-F260 HydrophobicContact CG-CZ 4.11Å; I222-F260 HydrophobicContact CD1-CD1 3.36Å; I222-F260 HydrophobicContact CD1-CE1 3.62Å; I222-F260 HydrophobicContact CD1-CG 4.22Å; I222-F260 HydrophobicContact CG1-CD1 3.84Å; I222-F260 HydrophobicContact CG1-CE1 3.7Å; I222-F260 HydrophobicContact CG1-CZ 4.33Å; L243-F260 HydrophobicContact CB-CE2 4.49Å; L243-F260 HydrophobicContact CD2-CE2 4.47Å; R245-F260 HydrophobicContact CB-CD2 3.87Å; R245-F260 HydrophobicContact CB-CE2 4.09Å; R245-F260 HydrophobicContact CB-CG 4.35Å; R245-F260 HydrophobicContact CG-CD2 4.41Å; Q256-F260 WeakPolarHBondContact O-CB 3.22Å; Q256-F260 PolarHBondContact O-N 3.32Å; I258-F260 VanDerWaalsContact C-N 3.32Å; I258-F260 PolarHBondContact O-N 2.74Å; F260-D262 VanDerWaalsContact C-N 3.31Å; F260-D262 PolarHBondContact O-N 2.98Å; F260-E263 WeakPolarHBondContact O-CB 3.34Å; F260-E263 PolarHBondContact O-N 3.33Å; F260-I264 HydrophobicContact CE1-CD1 4.15Å
261Y88.8Confident85.4Confident4 Ų434.4 Ų34.42%0.01619%0.187CC..Hα-helixtrans-64-38.5176.7-177.1-102.5000111.7K80 F84 I107 D110 L111 L257 I258 E263 I264 R265K80-Y261 WeakPolarHBondContact CE-OH 3.48Å; K80-Y261 PolarHBondContact NZ-OH 2.97Å; F84-Y261 HydrophobicContact CE1-CD2 4.41Å; F84-Y261 HydrophobicContact CE1-CE2 4.14Å; F84-Y261 HydrophobicContact CZ-CE2 4.1Å; I107-Y261 HydrophobicContact CB-CD1 4.25Å; I107-Y261 HydrophobicContact CB-CE1 4.46Å; I107-Y261 HydrophobicContact CB-CG 4.41Å; I107-Y261 HydrophobicContact CD1-CG 4.11Å; I107-Y261 HydrophobicContact CG1-CD1 3.89Å; I107-Y261 HydrophobicContact CG1-CG 3.84Å; I107-Y261 HydrophobicContact CG2-CD1 3.8Å; I107-Y261 HydrophobicContact CG2-CD2 3.75Å; I107-Y261 HydrophobicContact CG2-CE1 3.72Å; I107-Y261 HydrophobicContact CG2-CE2 3.68Å; I107-Y261 HydrophobicContact CG2-CG 3.81Å; D110-Y261 HydrophobicContact CB-CE1 4.48Å; L111-Y261 WeakPolarHBondContact CD2-OH 3.42Å; L257-Y261 WeakPolarHBondContact O-CB 3.47Å; L257-Y261 PolarHBondContact O-N 2.82Å; I258-Y261 PolarHBondContact O-N 3.14Å; Y261-E263 PolarHBondContact O-N 3.48Å; Y261-I264 HydrophobicContact CD2-CG1 4.32Å; Y261-I264 CarbonylContact O-C 3.54Å; Y261-I264 WeakPolarHBondContact O-CG1 3.26Å; Y261-I264 PolarHBondContact O-N 2.87Å; Y261-R265 HydrophobicContact CD1-CB 4.08Å; Y261-R265 HydrophobicContact CD1-CG 4.24Å; Y261-R265 HydrophobicContact CE1-CB 3.79Å; Y261-R265 HydrophobicContact CE1-CG 3.55Å; Y261-R265 WeakPolarHBondContact O-CA 3.08Å; Y261-R265 VanDerWaalsContact O-CB 3.29Å; Y261-R265 WeakPolarHBondContact O-CB 3.29Å; Y261-R265 PolarHBondContact O-N 3.5Å
262D87.9Confident86.5Confident71 Ų7129.8 Ų29.838%0.3817%0.166SC..Hα-helixtrans-56.9-34.7177-76.5-31.9000112.5I258 G259 F260 I264 R265I258-D262 PolarHBondContact O-N 3.13Å; G259-D262 WeakPolarHBondContact O-CB 3.43Å; G259-D262 PolarHBondContact O-N 2.94Å; F260-D262 VanDerWaalsContact C-N 3.31Å; F260-D262 PolarHBondContact O-N 2.98Å; D262-I264 VanDerWaalsContact C-N 3.29Å; D262-I264 PolarHBondContact O-N 3.5Å; D262-R265 IonicContact OD1-NE 3.81Å
263E87.8Confident87.4Confident40 Ų4030.9 Ų30.919%0.18716%0.164CC..Hα-helixtrans-64.8-30.4176.1-61176.2-146.100113.1R245 G259 F260 Y261 F293 V434R245-E263 IonicContact CZ-OE1 2.9Å; R245-E263 IonicContact NH2-OE1 3.86Å; R245-E263 PolarHBondContact NH2-OE1 3.18Å; R245-E263 IonicContact NH2-OE2 3.11Å; G259-E263 PolarHBondContact O-N 3.07Å; F260-E263 WeakPolarHBondContact O-CB 3.34Å; F260-E263 PolarHBondContact O-N 3.33Å; Y261-E263 PolarHBondContact O-N 3.48Å; E263-F293 WeakPolarHBondContact O-CB 3.24Å; E263-V434 HydrophobicContact CB-CG1 4.05Å; E263-V434 HydrophobicContact CG-CG1 4.04Å; E263-V434 HydrophobicContact CG-CG2 3.82Å
264I89.8Confident88.3Confident6 Ų630.8 Ų30.83%0.03116%0.163CC..Hα-helixtrans-114.70.1-173.766.1168.4000113.5V188 F220 F260 Y261 D262 T266 F293V188-I264 HydrophobicContact CG2-CD1 3.94Å; F220-I264 HydrophobicContact CB-CD1 4.21Å; F220-I264 HydrophobicContact CD1-CD1 4.26Å; F220-I264 HydrophobicContact CD1-CG2 3.95Å; F220-I264 HydrophobicContact CD2-CD1 3.94Å; F220-I264 HydrophobicContact CE1-CG2 3.56Å; F220-I264 HydrophobicContact CE2-CD1 4.42Å; F220-I264 HydrophobicContact CE2-CG2 4.43Å; F220-I264 HydrophobicContact CG-CD1 3.85Å; F220-I264 HydrophobicContact CZ-CG2 3.84Å; F260-I264 HydrophobicContact CE1-CD1 4.15Å; Y261-I264 HydrophobicContact CD2-CG1 4.32Å; Y261-I264 CarbonylContact O-C 3.54Å; Y261-I264 WeakPolarHBondContact O-CG1 3.26Å; Y261-I264 PolarHBondContact O-N 2.87Å; D262-I264 VanDerWaalsContact C-N 3.29Å; D262-I264 PolarHBondContact O-N 3.5Å; I264-T266 VanDerWaalsContact C-N 3.33Å; I264-T266 PolarHBondContact O-N 3.03Å; I264-F293 HydrophobicContact CB-CD1 4.46Å; I264-F293 HydrophobicContact CB-CD2 4.29Å; I264-F293 HydrophobicContact CB-CE1 4.28Å; I264-F293 HydrophobicContact CB-CE2 4.2Å; I264-F293 HydrophobicContact CB-CZ 4.2Å; I264-F293 HydrophobicContact CG2-CD2 4.08Å; I264-F293 HydrophobicContact CG2-CE2 4Å; I264-F293 HydrophobicContact CG2-CZ 4.45Å; I264-F293 WeakPolarHBondContact O-CD1 3.47Å; I264-F293 VanDerWaalsContact O-CE1 3.29Å; I264-F293 WeakPolarHBondContact O-CE1 3.27Å
265R90.4Very high88.9Confident83 Ų8334.2 Ų34.231%0.31318%0.179SC..SBendtrans-62.5-37.6-170.8178.6171.863.3145.9-2.1113K80 Y261 D262 P267K80-R265 WeakPolarHBondContact CD-O 3.4Å; K80-R265 VanDerWaalsContact CE-O 3.23Å; K80-R265 WeakPolarHBondContact CE-O 3.29Å; K80-R265 PolarHBondContact NZ-O 2.99Å; Y261-R265 HydrophobicContact CD1-CB 4.08Å; Y261-R265 HydrophobicContact CD1-CG 4.24Å; Y261-R265 HydrophobicContact CE1-CB 3.79Å; Y261-R265 HydrophobicContact CE1-CG 3.55Å; Y261-R265 WeakPolarHBondContact O-CA 3.08Å; Y261-R265 VanDerWaalsContact O-CB 3.29Å; Y261-R265 WeakPolarHBondContact O-CB 3.29Å; Y261-R265 PolarHBondContact O-N 3.5Å; D262-R265 IonicContact OD1-NE 3.81Å; R265-P267 WeakPolarHBondContact O-CD 3.49Å
266T91.2Very high89.4Confident25 Ų2532 Ų3215%0.15316%0.161CC..  trans-12786.4-166.7-53.80000110.8P77 I264 L268 F293 N294P77-T266 HydrophobicContact CB-CG2 3.54Å; I264-T266 VanDerWaalsContact C-N 3.33Å; I264-T266 PolarHBondContact O-N 3.03Å; T266-L268 HydrophobicContact CG2-CD2 4.03Å; T266-F293 CarbonylContact O-C 3.54Å; T266-F293 WeakPolarHBondContact O-CA 3.36Å; T266-N294 HydrophobicContact CG2-CB 3.99Å; T266-N294 PolarHBondContact O-N 2.95Å
267P92.1Very high89.7Confident0 Ų031.1 Ų31.10%016%0.159CC..EExtended strand (participates in β ladder)trans-67.5139.9171.424.7-28.9000110.3P77 L78 K80 V184 R265 Y292 F293P77-P267 CarbonylContact C-O 3.56Å; P77-P267 WeakPolarHBondContact CA-O 3.46Å; L78-P267 HydrophobicContact CB-CB 4.14Å; L78-P267 HydrophobicContact CB-CG 4.09Å; L78-P267 PolarHBondContact N-O 3.39Å; K80-P267 HydrophobicContact CB-CG 4.12Å; V184-P267 HydrophobicContact CB-CB 4.38Å; V184-P267 HydrophobicContact CB-CG 4.27Å; V184-P267 HydrophobicContact CG2-CB 3.95Å; V184-P267 HydrophobicContact CG2-CG 4.24Å; R265-P267 WeakPolarHBondContact O-CD 3.49Å; P267-Y292 CarbonylContact C-O 3.43Å; P267-Y292 WeakPolarHBondContact CA-O 3.44Å; P267-F293 HydrophobicContact CB-CD1 3.81Å; P267-F293 HydrophobicContact CB-CE1 3.76Å; P267-F293 HydrophobicContact CG-CD1 4.47Å; P267-F293 HydrophobicContact CG-CE1 4.27Å
268L89.6Confident89.8Confident4 Ų436.4 Ų36.42%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-116.2-35.5-179.7-62.3-175.4000112.3L75 P77 T266 Y292 N294L75-L268 HydrophobicContact CB-CB 4.25Å; L75-L268 HydrophobicContact CB-CD1 4.47Å; L75-L268 HydrophobicContact CD1-CB 4.45Å; L75-L268 WeakPolarHBondContact O-CD2 3.29Å; P77-L268 HydrophobicContact CB-CD2 3.82Å; T266-L268 HydrophobicContact CG2-CD2 4.03Å; L268-Y292 HydrophobicContact CB-CD1 3.96Å; L268-Y292 HydrophobicContact CB-CE1 4.41Å; L268-Y292 HydrophobicContact CD1-CD1 4.27Å; L268-Y292 HydrophobicContact CD1-CE1 3.88Å; L268-Y292 PolarHBondContact N-O 3.09Å; L268-N294 HydrophobicContact CD1-CB 3.77Å; L268-N294 HydrophobicContact CD2-CB 4.24Å; L268-N294 HydrophobicContact CG-CB 3.96Å
269L89.9Confident89.8Confident4 Ų438.8 Ų38.82%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-136.1153.2177.1-61169.6000110.7F70 P72 L75 L78 I272 N291 Y292 A318 S319 I325F70-L269 HydrophobicContact CE1-CD1 3.98Å; F70-L269 HydrophobicContact CZ-CD1 3.92Å; P72-L269 HydrophobicContact CG-CD1 3.84Å; L75-L269 HydrophobicContact CD1-CD1 3.8Å; L75-L269 HydrophobicContact CD1-CD2 3.76Å; L75-L269 HydrophobicContact CD1-CG 3.68Å; L78-L269 VanDerWaalsContact CD1-C 3.4Å; L269-I272 HydrophobicContact CB-CD1 3.89Å; L269-I272 HydrophobicContact CB-CG1 3.88Å; L269-I272 HydrophobicContact CD1-CG1 4.44Å; L269-N291 CarbonylContact O-C 3.52Å; L269-N291 WeakPolarHBondContact O-CA 3.47Å; L269-Y292 HydrophobicContact CD1-CD1 4.4Å; L269-Y292 PolarHBondContact N-O 2.93Å; L269-Y292 PolarHBondContact O-N 3.28Å; L269-A318 HydrophobicContact CB-CB 4.35Å; L269-A318 HydrophobicContact CD1-CB 4.01Å; L269-A318 HydrophobicContact CD2-CB 4.09Å; L269-A318 HydrophobicContact CG-CB 4.39Å; L269-S319 CarbonylContact C-O 3.45Å; L269-S319 WeakPolarHBondContact CA-O 3.42Å; L269-I325 HydrophobicContact CD2-CD1 4.07Å
270S89.8Confident90Very high14 Ų1438 Ų3810%0.09820%0.204CC..EExtended strand (participates in β ladder)trans-125.2165.1167.673.60000111I272 P290 S319S270-I272 VanDerWaalsContact C-N 3.3Å; S270-I272 PolarHBondContact O-N 3.15Å; S270-P290 CarbonylContact C-O 3.6Å; S270-P290 WeakPolarHBondContact CA-O 3.28Å; S270-S319 PolarHBondContact N-O 2.91Å; S270-S319 WeakPolarHBondContact O-CB 3.34Å; S270-S319 PolarHBondContact O-N 2.81Å; S270-S319 WeakPolarHBondContact OG-CB 3.18Å
271D87.9Confident90.2Very high76 Ų7638.5 Ų38.541%0.40621%0.207SC..EExtended strand (participates in β ladder)trans52.442.9174.9-58.5-58.4000114.1R273 P290D271-R273 PolarHBondContact O-N 3.37Å; D271-P290 PolarHBondContact N-O 3.26Å
272I92.2Very high90.3Very high0 Ų043 Ų430%024%0.235CC..EExtended strand (participates in β ladder)trans-73.7123.1-179.2-53.293.7000109.1F70 L269 S270 I274 L288 F289 I298 V316 T317 A318F70-I272 HydrophobicContact CD1-CG2 4.4Å; F70-I272 HydrophobicContact CE1-CG2 3.99Å; L269-I272 HydrophobicContact CB-CD1 3.89Å; L269-I272 HydrophobicContact CB-CG1 3.88Å; L269-I272 HydrophobicContact CD1-CG1 4.44Å; S270-I272 VanDerWaalsContact C-N 3.3Å; S270-I272 PolarHBondContact O-N 3.15Å; I272-I274 HydrophobicContact CG2-CD1 4.45Å; I272-I274 HydrophobicContact CG2-CG1 4.2Å; I272-L288 CarbonylContact O-C 3.42Å; I272-L288 WeakPolarHBondContact O-CA 3.48Å; I272-F289 HydrophobicContact CB-CB 4.2Å; I272-F289 HydrophobicContact CD1-CB 4.43Å; I272-F289 VanDerWaalsContact CD1-O 3.25Å; I272-F289 WeakPolarHBondContact CD1-O 3.37Å; I272-F289 PolarHBondContact N-O 3.36Å; I272-F289 PolarHBondContact O-N 3.4Å; I272-I298 HydrophobicContact CG2-CD1 4.48Å; I272-V316 HydrophobicContact CG2-CG1 4.18Å; I272-T317 CarbonylContact C-O 3.57Å; I272-T317 VanDerWaalsContact CA-O 3.28Å; I272-T317 WeakPolarHBondContact CA-O 3.12Å; I272-A318 HydrophobicContact CG1-CB 4.01Å
273R94.3Very high90.4Very high109 Ų10942.7 Ų42.741%0.41123%0.231SC..EExtended strand (participates in β ladder)trans-124.6134.8171.3-61.2177.3177.7104.54.1109.5D271 T287 L288 V316 T317D271-R273 PolarHBondContact O-N 3.37Å; R273-T287 CarbonylContact C-O 3.47Å; R273-T287 WeakPolarHBondContact CA-O 3.23Å; R273-L288 HydrophobicContact CG-CD1 3.5Å; R273-V316 CarbonylContact O-C 3.56Å; R273-V316 VanDerWaalsContact O-CA 3.32Å; R273-V316 WeakPolarHBondContact O-CA 3.23Å; R273-T317 WeakPolarHBondContact CB-OG1 3.39Å; R273-T317 PolarHBondContact N-O 2.93Å; R273-T317 PolarHBondContact O-N 3Å
274I94.1Very high90.7Very high0 Ų042.3 Ų42.30%024%0.235CC..EExtended strand (participates in β ladder)trans-121.5103-178.6-53.8179.7000107.6F70 I272 Y276 T287 F289 I298 I300 V314 E315 V316F70-I274 HydrophobicContact CB-CD1 4.5Å; I272-I274 HydrophobicContact CG2-CD1 4.45Å; I272-I274 HydrophobicContact CG2-CG1 4.2Å; I274-Y276 HydrophobicContact CB-CE2 4.37Å; I274-Y276 HydrophobicContact CG2-CD2 4.38Å; I274-Y276 HydrophobicContact CG2-CE1 4.49Å; I274-Y276 HydrophobicContact CG2-CE2 3.53Å; I274-T287 PolarHBondContact N-O 2.93Å; I274-T287 WeakPolarHBondContact O-CB 3.42Å; I274-T287 VanDerWaalsContact O-CG2 3.3Å; I274-T287 WeakPolarHBondContact O-CG2 3.47Å; I274-F289 HydrophobicContact CD1-CE2 4.43Å; I274-I298 HydrophobicContact CD1-CG2 4.34Å; I274-I300 HydrophobicContact CD1-CD1 3.3Å; I274-I300 HydrophobicContact CD1-CG1 4.04Å; I274-V314 HydrophobicContact CG2-CG1 4.1Å; I274-E315 CarbonylContact C-O 3.6Å; I274-E315 WeakPolarHBondContact CA-O 3.34Å; I274-V316 HydrophobicContact CB-CG2 4.45Å; I274-V316 HydrophobicContact CG1-CG1 4.26Å; I274-V316 HydrophobicContact CG1-CG2 4.02Å; I274-V316 HydrophobicContact CG2-CG2 4.08Å
275D93.1Very high90.9Very high79 Ų7942.3 Ų42.342%0.42224%0.235SC..EExtended strand (participates in β ladder)trans-94.2125.5-174.3-67.5-40.9000110.4E315D275-E315 HydrophobicContact CB-CB 4.39Å; D275-E315 PolarHBondContact N-O 2.89Å; D275-E315 PolarHBondContact O-N 2.98Å; D275-E315 VanDerWaalsContact O-N 3.15Å
276Y92.2Very high90.9Very high24 Ų2439.8 Ų39.89%0.09423%0.227CC..  trans-114.1129.9169.5-57.4-85.5000108.6F66 H68 I274 V281 A284 T287 I300 L312 V314F66-Y276 HydrophobicContact CD2-CE1 4.26Å; F66-Y276 HydrophobicContact CE2-CD1 4.1Å; F66-Y276 AromaticContact CE2-CE1 3.44Å; F66-Y276 HydrophobicContact CE2-CE1 3.44Å; F66-Y276 VanDerWaalsContact CE2-CE1 3.44Å; F66-Y276 HydrophobicContact CE2-CE2 4.2Å; F66-Y276 AromaticContact CE2-CZ 3.5Å; F66-Y276 VanDerWaalsContact CE2-CZ 3.5Å; F66-Y276 AromaticContact CZ-CD1 3.83Å; F66-Y276 HydrophobicContact CZ-CD1 3.83Å; F66-Y276 HydrophobicContact CZ-CD2 4.34Å; F66-Y276 AromaticContact CZ-CE1 3.67Å; F66-Y276 HydrophobicContact CZ-CE1 3.67Å; F66-Y276 HydrophobicContact CZ-CE2 4.22Å; F66-Y276 HydrophobicContact CZ-CG 4.15Å; F66-Y276 AromaticContact CZ-CZ 3.87Å; H68-Y276 WeakPolarHBondContact CB-OH 3.35Å; H68-Y276 AromaticContact ND1-CZ 3.87Å; H68-Y276 PolarHBondContact ND1-OH 2.91Å; I274-Y276 HydrophobicContact CB-CE2 4.37Å; I274-Y276 HydrophobicContact CG2-CD2 4.38Å; I274-Y276 HydrophobicContact CG2-CE1 4.49Å; I274-Y276 HydrophobicContact CG2-CE2 3.53Å; Y276-V281 HydrophobicContact CD1-CG2 4.39Å; Y276-V281 HydrophobicContact CG-CG2 4.27Å; Y276-A284 HydrophobicContact CD2-CB 4.39Å; Y276-T287 HydrophobicContact CD2-CG2 3.95Å; Y276-T287 HydrophobicContact CE2-CG2 3.9Å; Y276-I300 HydrophobicContact CE2-CG2 3.89Å; Y276-L312 HydrophobicContact CD1-CD1 4.45Å; Y276-L312 HydrophobicContact CD1-CD2 4.41Å; Y276-V314 HydrophobicContact CD1-CG1 4.43Å; Y276-V314 HydrophobicContact CD1-CG2 3.89Å; Y276-V314 HydrophobicContact CE1-CB 4.48Å; Y276-V314 HydrophobicContact CE1-CG1 3.97Å; Y276-V314 HydrophobicContact CE1-CG2 3.71Å
277P89.5Confident90.9Very high30 Ų3040.9 Ų40.920%0.19523%0.233CC..  trans-57.8130.8-180-25.733.2000112.2S279 S280 V281 H313P277-S279 PolarHBondContact O-N 3.4Å; P277-S279 VanDerWaalsContact O-N 3.13Å; P277-S280 PolarHBondContact O-N 3.26Å; P277-V281 PolarHBondContact O-N 3.27Å; P277-H313 WeakPolarHBondContact CD-O 3.39Å; P277-H313 HydrophobicContact CG-CB 4.05Å
278P86.4Confident90.9Very high119 Ų11943.8 Ų43.877%0.77325%0.249SC*.THydrogen-bonded Turntrans-60.8-22.6176.2-24.733.9000113.7S280P278-S280 PolarHBondContact O-N 2.98Å
279S87.6Confident91Very high93 Ų9343.9 Ų43.965%0.6525%0.249SC*.THydrogen-bonded Turntrans-69.1-19.8172.5530000113.4P277P277-S279 PolarHBondContact O-N 3.4Å; P277-S279 VanDerWaalsContact O-N 3.13Å
280S88.8Confident90.9Very high13 Ų1344.8 Ų44.89%0.09126%0.255CS..THydrogen-bonded Turntrans-111.5-28.4-173.4-57.90000112.9P277 P278 L304 V305P277-S280 PolarHBondContact O-N 3.26Å; P278-S280 PolarHBondContact O-N 2.98Å; S280-L304 CarbonylContact O-C 3.6Å; S280-L304 WeakPolarHBondContact O-CA 3.28Å; S280-V305 PolarHBondContact O-N 3.46Å
281V91.7Very high91Very high15 Ų1545 Ų459%0.09126%0.255CS..EExtended strand (participates in β ladder)trans-123.4122.9-174.7179.40000111.4F66 Y276 P277 A284 L304 L312F66-V281 HydrophobicContact CE1-CB 4.45Å; F66-V281 HydrophobicContact CE1-CG1 3.86Å; F66-V281 HydrophobicContact CE1-CG2 3.69Å; F66-V281 HydrophobicContact CZ-CG1 4.26Å; F66-V281 HydrophobicContact CZ-CG2 4.24Å; Y276-V281 HydrophobicContact CD1-CG2 4.39Å; Y276-V281 HydrophobicContact CG-CG2 4.27Å; P277-V281 PolarHBondContact O-N 3.27Å; V281-A284 HydrophobicContact CG1-CB 4.13Å; V281-L304 HydrophobicContact CG2-CD2 4.08Å; V281-L312 HydrophobicContact CG2-CD1 3.86Å
282V90.4Very high91.1Very high99 Ų9941.4 Ų41.460%0.624%0.236SC*.EExtended strand (participates in β ladder)trans-75.9-44.1176.6178.80000110.6K303 V305V282-K303 PolarHBondContact N-O 3.44Å; V282-V305 HydrophobicContact CG2-CB 4.08Å; V282-V305 HydrophobicContact CG2-CG2 3.58Å
283Q90.6Very high91.1Very high63 Ų6341.8 Ų41.829%0.29424%0.237SC..EExtended strand (participates in β ladder)trans-149.9128.8-175.3-175.7-179.6-15.700108.7G302 K303Q283-G302 CarbonylContact O-C 3.42Å; Q283-G302 WeakPolarHBondContact O-CA 3.4Å; Q283-K303 PolarHBondContact N-O 3.17Å; Q283-K303 PolarHBondContact O-N 3.14Å
284A93.2Very high90.8Very high33 Ų3340.7 Ų40.727%0.27324%0.24SC..EExtended strand (participates in β ladder)trans-119154.4164.600000108.6F66 Y276 V281 T287 I300 A301F66-A284 HydrophobicContact CZ-CB 4.37Å; Y276-A284 HydrophobicContact CD2-CB 4.39Å; V281-A284 HydrophobicContact CG1-CB 4.13Å; A284-T287 HydrophobicContact CB-CG2 4.32Å; A284-I300 HydrophobicContact CB-CG2 4.41Å; A284-A301 CarbonylContact C-O 3.52Å; A284-A301 WeakPolarHBondContact CA-O 3.43Å
285T94.1Very high90.4Very high6 Ų642.8 Ų42.84%0.03726%0.262CS..SBendtrans-64.7-17815959.60000109.1T287 I300 A301 L366 E370T285-T287 WeakPolarHBondContact O-CG2 3.44Å; T285-T287 PolarHBondContact O-N 3.36Å; T285-I300 WeakPolarHBondContact OG1-CA 3.35Å; T285-I300 WeakPolarHBondContact OG1-CG2 3.49Å; T285-A301 HydrophobicContact CG2-CB 4.41Å; T285-A301 PolarHBondContact N-O 3.34Å; T285-A301 PolarHBondContact OG1-N 2.75Å; T285-A301 PolarHBondContact OG1-O 2.81Å; T285-L366 HydrophobicContact CG2-CB 3.92Å; T285-E370 WeakPolarHBondContact CA-OE2 3.43Å; T285-E370 VanDerWaalsContact CB-OE1 3.31Å; T285-E370 WeakPolarHBondContact CB-OE1 3.37Å; T285-E370 WeakPolarHBondContact CB-OE2 3.43Å
286K89.4Confident90.2Very high30 Ų3039.1 Ų39.113%0.1324%0.242CC..  trans-50.6137.8-177.5-179.2162.2179.4-93.60114.1L288 F289 E370 V438 R439K286-L288 WeakPolarHBondContact CE-O 3.44Å; K286-L288 PolarHBondContact NZ-O 2.93Å; K286-F289 HydrophobicContact CB-CZ 4.19Å; K286-F289 HydrophobicContact CD-CE1 4.38Å; K286-F289 HydrophobicContact CG-CE1 4.2Å; K286-F289 HydrophobicContact CG-CE2 4.39Å; K286-F289 HydrophobicContact CG-CZ 3.95Å; K286-F289 VanDerWaalsContact O-CE2 3.31Å; K286-F289 WeakPolarHBondContact O-CE2 3.4Å; K286-F289 VanDerWaalsContact O-CZ 3.22Å; K286-F289 WeakPolarHBondContact O-CZ 3.39Å; K286-E370 WeakPolarHBondContact CB-OE1 3.45Å; K286-E370 PolarHBondContact N-OE1 2.93Å; K286-V438 PolarHBondContact NZ-O 2.84Å; K286-R439 HydrophobicContact CD-CB 4.42Å; K286-R439 HydrophobicContact CD-CG 3.76Å; K286-R439 VanDerWaalsContact CE-CA 3.46Å
287T92.9Very high90.1Very high48 Ų4839.9 Ų39.929%0.29425%0.247SC..  trans-122-7.3-176.954.20000115R273 I274 Y276 A284 T285 I300R273-T287 CarbonylContact C-O 3.47Å; R273-T287 WeakPolarHBondContact CA-O 3.23Å; I274-T287 PolarHBondContact N-O 2.93Å; I274-T287 WeakPolarHBondContact O-CB 3.42Å; I274-T287 VanDerWaalsContact O-CG2 3.3Å; I274-T287 WeakPolarHBondContact O-CG2 3.47Å; Y276-T287 HydrophobicContact CD2-CG2 3.95Å; Y276-T287 HydrophobicContact CE2-CG2 3.9Å; A284-T287 HydrophobicContact CB-CG2 4.32Å; T285-T287 WeakPolarHBondContact O-CG2 3.44Å; T285-T287 PolarHBondContact O-N 3.36Å; T287-I300 HydrophobicContact CG2-CG2 4.37Å
288L91.6Very high90.2Very high61 Ų6138.5 Ų38.532%0.31924%0.237SC..EExtended strand (participates in β ladder)trans-110.9116.4179.2174.681.5000110.3I272 R273 K286I272-L288 CarbonylContact O-C 3.42Å; I272-L288 WeakPolarHBondContact O-CA 3.48Å; R273-L288 HydrophobicContact CG-CD1 3.5Å; K286-L288 WeakPolarHBondContact CE-O 3.44Å; K286-L288 PolarHBondContact NZ-O 2.93Å
289F90.9Very high90.6Very high6 Ų634.1 Ų34.13%0.02621%0.207CC..EExtended strand (participates in β ladder)trans-121.5120.8179.6-58.2-94.6000110.2I272 I274 K286 N291 I298 I300I272-F289 HydrophobicContact CB-CB 4.2Å; I272-F289 HydrophobicContact CD1-CB 4.43Å; I272-F289 VanDerWaalsContact CD1-O 3.25Å; I272-F289 WeakPolarHBondContact CD1-O 3.37Å; I272-F289 PolarHBondContact N-O 3.36Å; I272-F289 PolarHBondContact O-N 3.4Å; I274-F289 HydrophobicContact CD1-CE2 4.43Å; K286-F289 HydrophobicContact CB-CZ 4.19Å; K286-F289 HydrophobicContact CD-CE1 4.38Å; K286-F289 HydrophobicContact CG-CE1 4.2Å; K286-F289 HydrophobicContact CG-CE2 4.39Å; K286-F289 HydrophobicContact CG-CZ 3.95Å; K286-F289 VanDerWaalsContact O-CE2 3.31Å; K286-F289 WeakPolarHBondContact O-CE2 3.4Å; K286-F289 VanDerWaalsContact O-CZ 3.22Å; K286-F289 WeakPolarHBondContact O-CZ 3.39Å; F289-N291 VanDerWaalsContact C-N 3.33Å; F289-N291 PolarHBondContact O-N 2.9Å; F289-I298 HydrophobicContact CB-CD1 3.77Å; F289-I298 HydrophobicContact CD1-CD1 4.24Å; F289-I298 HydrophobicContact CD1-CG1 4.21Å; F289-I298 HydrophobicContact CD1-CG2 4.04Å; F289-I298 HydrophobicContact CD2-CD1 4.09Å; F289-I298 HydrophobicContact CD2-CG2 3.67Å; F289-I298 HydrophobicContact CE1-CG2 3.75Å; F289-I298 HydrophobicContact CE2-CG2 3.35Å; F289-I298 HydrophobicContact CG-CD1 3.77Å; F289-I298 HydrophobicContact CG-CG1 4.22Å; F289-I298 HydrophobicContact CG-CG2 4.01Å; F289-I298 HydrophobicContact CZ-CG2 3.4Å; F289-I300 HydrophobicContact CE2-CG1 4.18Å; F289-I300 HydrophobicContact CZ-CG1 4.37Å
290P89.3Confident90.9Very high23 Ų2329.7 Ų29.715%0.14918%0.176CC..EExtended strand (participates in β ladder)trans-63.3-37.4-177.9-28.237.8000113.7C241 S270 D271 G440C241-P290 HydrophobicContact CB-CB 4.08Å; C241-P290 HydrophobicContact CB-CG 3.67Å; S270-P290 CarbonylContact C-O 3.6Å; S270-P290 WeakPolarHBondContact CA-O 3.28Å; D271-P290 PolarHBondContact N-O 3.26Å; P290-G440 VanDerWaalsContact CG-CA 3.43Å
291N90.4Very high91.2Very high18 Ų1829.1 Ų29.110%0.09617%0.172CC..EExtended strand (participates in β ladder)trans-142.5147.7-176.6-59.5-59000110.9V184 C218 L269 F289 F293 Q436V184-N291 WeakPolarHBondContact CG1-OD1 3.49Å; V184-N291 VanDerWaalsContact CG2-OD1 3.27Å; V184-N291 WeakPolarHBondContact CG2-OD1 3.42Å; C218-N291 PolarHBondContact SG-ND2 3.25Å; L269-N291 CarbonylContact O-C 3.52Å; L269-N291 WeakPolarHBondContact O-CA 3.47Å; F289-N291 VanDerWaalsContact C-N 3.33Å; F289-N291 PolarHBondContact O-N 2.9Å; N291-F293 HydrophobicContact CB-CE1 4.49Å; N291-F293 HydrophobicContact CB-CE2 4.19Å; N291-F293 HydrophobicContact CB-CZ 3.96Å; N291-Q436 PolarHBondContact O-NE2 3.4Å; N291-Q436 PolarHBondContact O-OE1 2.62Å
292Y91.5Very high91.4Very high0 Ų028.4 Ų28.40%017%0.168CC..EExtended strand (participates in β ladder)trans-117.9124.8166.6177.1-112.8000109.7A71 P72 P267 L268 L269 S296 I298A71-Y292 VanDerWaalsContact CA-OH 3.22Å; A71-Y292 WeakPolarHBondContact CA-OH 3.45Å; A71-Y292 WeakPolarHBondContact CB-OH 3.36Å; P72-Y292 HydrophobicContact CG-CD1 4.03Å; P72-Y292 HydrophobicContact CG-CE1 3.73Å; P72-Y292 WeakPolarHBondContact O-CE1 3.48Å; P267-Y292 CarbonylContact C-O 3.43Å; P267-Y292 WeakPolarHBondContact CA-O 3.44Å; L268-Y292 HydrophobicContact CB-CD1 3.96Å; L268-Y292 HydrophobicContact CB-CE1 4.41Å; L268-Y292 HydrophobicContact CD1-CD1 4.27Å; L268-Y292 HydrophobicContact CD1-CE1 3.88Å; L268-Y292 PolarHBondContact N-O 3.09Å; L269-Y292 HydrophobicContact CD1-CD1 4.4Å; L269-Y292 PolarHBondContact N-O 2.93Å; L269-Y292 PolarHBondContact O-N 3.28Å; Y292-S296 WeakPolarHBondContact CE2-O 3.12Å; Y292-S296 WeakPolarHBondContact CE2-OG 3.49Å; Y292-S296 PolarHBondContact OH-O 3.35Å; Y292-I298 HydrophobicContact CD2-CD1 3.98Å; Y292-I298 HydrophobicContact CD2-CG1 4.06Å
293F90.9Very high91.5Very high8 Ų827.5 Ų27.54%0.03516%0.156CC..EExtended strand (participates in β ladder)trans-103.5143.7-179.8-61.8-67.7000110.7L186 F220 E263 I264 T266 P267 N291 S296L186-F293 HydrophobicContact CD1-CE1 4.22Å; L186-F293 HydrophobicContact CD1-CZ 4.37Å; L186-F293 HydrophobicContact CD2-CZ 4.35Å; F220-F293 HydrophobicContact CE2-CZ 4.32Å; F220-F293 AromaticContact CZ-CE2 3.8Å; F220-F293 HydrophobicContact CZ-CE2 3.8Å; F220-F293 HydrophobicContact CZ-CZ 4.05Å; E263-F293 WeakPolarHBondContact O-CB 3.24Å; I264-F293 HydrophobicContact CB-CD1 4.46Å; I264-F293 HydrophobicContact CB-CD2 4.29Å; I264-F293 HydrophobicContact CB-CE1 4.28Å; I264-F293 HydrophobicContact CB-CE2 4.2Å; I264-F293 HydrophobicContact CB-CZ 4.2Å; I264-F293 HydrophobicContact CG2-CD2 4.08Å; I264-F293 HydrophobicContact CG2-CE2 4Å; I264-F293 HydrophobicContact CG2-CZ 4.45Å; I264-F293 WeakPolarHBondContact O-CD1 3.47Å; I264-F293 VanDerWaalsContact O-CE1 3.29Å; I264-F293 WeakPolarHBondContact O-CE1 3.27Å; T266-F293 CarbonylContact O-C 3.54Å; T266-F293 WeakPolarHBondContact O-CA 3.36Å; P267-F293 HydrophobicContact CB-CD1 3.81Å; P267-F293 HydrophobicContact CB-CE1 3.76Å; P267-F293 HydrophobicContact CG-CD1 4.47Å; P267-F293 HydrophobicContact CG-CE1 4.27Å; N291-F293 HydrophobicContact CB-CE1 4.49Å; N291-F293 HydrophobicContact CB-CE2 4.19Å; N291-F293 HydrophobicContact CB-CZ 3.96Å; F293-S296 WeakPolarHBondContact O-CB 3.44Å; F293-S296 PolarHBondContact O-N 2.82Å; F293-S296 VanDerWaalsContact O-N 3.14Å; F293-S296 PolarHBondContact O-OG 3.37Å
294N89.3Confident91.6Very high86 Ų8624.9 Ų24.946%0.4614%0.144SC..THydrogen-bonded Turntrans-58139.6177.3-170.525.6000111T266 L268 S296T266-N294 HydrophobicContact CG2-CB 3.99Å; T266-N294 PolarHBondContact O-N 2.95Å; L268-N294 HydrophobicContact CD1-CB 3.77Å; L268-N294 HydrophobicContact CD2-CB 4.24Å; L268-N294 HydrophobicContact CG-CB 3.96Å; N294-S296 PolarHBondContact O-N 3.37Å
295G84.6Confident91.4Very high45 Ų4527.1 Ų27.146%0.46415%0.154SC..THydrogen-bonded Turntrans82.9-17.9-176.700000114.5
296S88.1Confident90.6Very high1 Ų130.5 Ų30.51%0.00717%0.172CC..  trans-85.5176.717678.90000113.2R52 Y292 F293 N294 V434 Q436R52-S296 PolarHBondContact NH1-O 2.85Å; Y292-S296 WeakPolarHBondContact CE2-O 3.12Å; Y292-S296 WeakPolarHBondContact CE2-OG 3.49Å; Y292-S296 PolarHBondContact OH-O 3.35Å; F293-S296 WeakPolarHBondContact O-CB 3.44Å; F293-S296 PolarHBondContact O-N 2.82Å; F293-S296 VanDerWaalsContact O-N 3.14Å; F293-S296 PolarHBondContact O-OG 3.37Å; N294-S296 PolarHBondContact O-N 3.37Å; S296-V434 WeakPolarHBondContact CA-O 3.26Å; S296-V434 WeakPolarHBondContact CB-O 2.96Å; S296-Q436 WeakPolarHBondContact OG-CG 3.17Å; S296-Q436 PolarHBondContact OG-NE2 3.5Å
297E90.4Very high89.8Confident41 Ų4137.2 Ų37.219%0.19220%0.196CC..BIsolated β-bridgetrans-140.8141.3176.7178.7173-111.400111.4A71 I299 V434 Q436A71-E297 HydrophobicContact CB-CB 4.17Å; A71-E297 HydrophobicContact CB-CG 4.1Å; E297-I299 HydrophobicContact CG-CG1 3.84Å; E297-I299 WeakPolarHBondContact OE2-CD1 3.45Å; E297-V434 PolarHBondContact N-O 3.28Å; E297-V434 VanDerWaalsContact N-O 3.13Å; E297-Q436 PolarHBondContact O-N 2.87Å
298I92.3Very high88.8Confident0 Ų043.1 Ų43.10%022%0.218CC..EExtended strand (participates in β ladder)trans-98.4126.2167.9-66.1171.8000108.1F70 I272 I274 F289 Y292 I300 Q436F70-I298 HydrophobicContact CB-CB 4.27Å; F70-I298 HydrophobicContact CD1-CB 4.41Å; F70-I298 HydrophobicContact CD1-CD1 4.06Å; F70-I298 PolarHBondContact N-O 3.01Å; F70-I298 PolarHBondContact O-N 3.35Å; I272-I298 HydrophobicContact CG2-CD1 4.48Å; I274-I298 HydrophobicContact CD1-CG2 4.34Å; F289-I298 HydrophobicContact CB-CD1 3.77Å; F289-I298 HydrophobicContact CD1-CD1 4.24Å; F289-I298 HydrophobicContact CD1-CG1 4.21Å; F289-I298 HydrophobicContact CD1-CG2 4.04Å; F289-I298 HydrophobicContact CD2-CD1 4.09Å; F289-I298 HydrophobicContact CD2-CG2 3.67Å; F289-I298 HydrophobicContact CE1-CG2 3.75Å; F289-I298 HydrophobicContact CE2-CG2 3.35Å; F289-I298 HydrophobicContact CG-CD1 3.77Å; F289-I298 HydrophobicContact CG-CG1 4.22Å; F289-I298 HydrophobicContact CG-CG2 4.01Å; F289-I298 HydrophobicContact CZ-CG2 3.4Å; Y292-I298 HydrophobicContact CD2-CD1 3.98Å; Y292-I298 HydrophobicContact CD2-CG1 4.06Å; I298-I300 HydrophobicContact CG2-CD1 3.7Å; I298-I300 HydrophobicContact CG2-CG1 4.26Å; I298-Q436 HydrophobicContact CG1-CB 4.25Å
299I93.8Very high88.1Confident28 Ų2841.9 Ų41.914%0.14421%0.212CC..EExtended strand (participates in β ladder)trans-118.8123.8178.7-50.4177.3000109.3V67 H68 Y69 E297 L366 V435V67-I299 HydrophobicContact CG2-CG2 3.67Å; H68-I299 WeakPolarHBondContact O-CA 3.37Å; Y69-I299 HydrophobicContact CD1-CD1 4.22Å; Y69-I299 HydrophobicContact CD1-CG1 3.96Å; Y69-I299 HydrophobicContact CD1-CG2 4.15Å; Y69-I299 HydrophobicContact CE1-CD1 4.13Å; Y69-I299 HydrophobicContact CE1-CG1 4.28Å; Y69-I299 HydrophobicContact CE1-CG2 4Å; E297-I299 HydrophobicContact CG-CG1 3.84Å; E297-I299 WeakPolarHBondContact OE2-CD1 3.45Å; I299-L366 HydrophobicContact CB-CD1 4.43Å; I299-L366 HydrophobicContact CG2-CD1 3.74Å; I299-V435 HydrophobicContact CB-CG1 4.41Å; I299-V435 HydrophobicContact CD1-CB 4.47Å; I299-V435 HydrophobicContact CD1-CG1 3.7Å; I299-V435 HydrophobicContact CD1-CG2 3.87Å; I299-V435 HydrophobicContact CG1-CG1 3.93Å
300I95.2Very high87.7Confident0 Ų047.9 Ų47.90%024%0.244CC..EExtended strand (participates in β ladder)trans-119.3132.5175.5-47.190.1000107.8V67 H68 I274 Y276 A284 T285 T287 F289 I298V67-I300 CarbonylContact C-O 3.53Å; V67-I300 VanDerWaalsContact CA-O 3.31Å; V67-I300 WeakPolarHBondContact CA-O 3.29Å; H68-I300 HydrophobicContact CB-CB 4.28Å; H68-I300 HydrophobicContact CB-CD1 4.17Å; H68-I300 PolarHBondContact N-O 3.37Å; H68-I300 PolarHBondContact O-N 2.86Å; I274-I300 HydrophobicContact CD1-CD1 3.3Å; I274-I300 HydrophobicContact CD1-CG1 4.04Å; Y276-I300 HydrophobicContact CE2-CG2 3.89Å; A284-I300 HydrophobicContact CB-CG2 4.41Å; T285-I300 WeakPolarHBondContact OG1-CA 3.35Å; T285-I300 WeakPolarHBondContact OG1-CG2 3.49Å; T287-I300 HydrophobicContact CG2-CG2 4.37Å; F289-I300 HydrophobicContact CE2-CG1 4.18Å; F289-I300 HydrophobicContact CZ-CG1 4.37Å; I298-I300 HydrophobicContact CG2-CD1 3.7Å; I298-I300 HydrophobicContact CG2-CG1 4.26Å
301A95.4Very high87.6Confident0 Ų052.2 Ų52.20%026%0.262CS..EExtended strand (participates in β ladder)trans-123.1147.5172.300000110.2F66 A284 T285 W363 L366F66-A301 CarbonylContact O-C 3.55Å; F66-A301 VanDerWaalsContact O-CA 3.27Å; F66-A301 WeakPolarHBondContact O-CA 3.39Å; A284-A301 CarbonylContact C-O 3.52Å; A284-A301 WeakPolarHBondContact CA-O 3.43Å; T285-A301 HydrophobicContact CG2-CB 4.41Å; T285-A301 PolarHBondContact N-O 3.34Å; T285-A301 PolarHBondContact OG1-N 2.75Å; T285-A301 PolarHBondContact OG1-O 2.81Å; A301-W363 HydrophobicContact CB-CB 3.85Å; A301-W363 HydrophobicContact CB-CG 4.38Å; A301-L366 HydrophobicContact CB-CD1 3.9Å
302G94.4Very high87.5Confident0 Ų051.3 Ų51.30%026%0.257CS..EExtended strand (participates in β ladder)trans-154.2173178.700000114.4Y65 F66 Q283Y65-G302 CarbonylContact C-O 3.55Å; Y65-G302 VanDerWaalsContact CA-O 3.29Å; Y65-G302 WeakPolarHBondContact CA-O 3.44Å; F66-G302 PolarHBondContact N-O 2.77Å; F66-G302 PolarHBondContact O-N 2.76Å; Q283-G302 CarbonylContact O-C 3.42Å; Q283-G302 WeakPolarHBondContact O-CA 3.4Å
303K93.8Very high87.4Confident80 Ų8054.2 Ų54.235%0.34827%0.271SS..EExtended strand (participates in β ladder)trans-119.2125.1-179.3-174.6176.5-177.6171.60109.3Y65 V282 Q283Y65-K303 HydrophobicContact CD1-CB 3.99Å; Y65-K303 HydrophobicContact CD1-CG 4.09Å; Y65-K303 HydrophobicContact CE1-CB 3.96Å; Y65-K303 HydrophobicContact CE1-CD 3.79Å; Y65-K303 HydrophobicContact CE1-CG 3.75Å; V282-K303 PolarHBondContact N-O 3.44Å; Q283-K303 PolarHBondContact N-O 3.17Å; Q283-K303 PolarHBondContact O-N 3.14Å
304L92.9Very high87.5Confident8 Ų853.9 Ų53.94%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-75153.3179.8-58.3-178.7000111.6V61 G64 F66 S280 V281 L312 V333V61-L304 HydrophobicContact CG1-CD1 3.8Å; G64-L304 PolarHBondContact O-N 3.46Å; F66-L304 HydrophobicContact CD1-CD2 3.72Å; F66-L304 HydrophobicContact CD1-CG 4.35Å; F66-L304 HydrophobicContact CE1-CD2 4.16Å; S280-L304 CarbonylContact O-C 3.6Å; S280-L304 WeakPolarHBondContact O-CA 3.28Å; V281-L304 HydrophobicContact CG2-CD2 4.08Å; L304-L312 HydrophobicContact CD2-CD1 4.04Å; L304-L312 HydrophobicContact CD2-CD2 4.32Å; L304-V333 HydrophobicContact CD1-CG1 3.93Å; L304-V333 HydrophobicContact CD1-CG2 4.15Å
305V87.4Confident87.6Confident81 Ų8151.8 Ų51.849%0.49126%0.257SS..SBendtrans-69.7-50.2174.2176.50000110.7S280 V282S280-V305 PolarHBondContact O-N 3.46Å; V282-V305 HydrophobicContact CG2-CB 4.08Å; V282-V305 HydrophobicContact CG2-CG2 3.58Å
306D78.2Confident87.9Confident76 Ų7649.7 Ų49.741%0.40624%0.235SC..  trans-123.6137.5178.4-166.3-10.3000110.2K308D306-K308 PolarHBondContact O-N 3.48Å; D306-K308 WeakPolarHBondContact OD1-CB 3.41Å; D306-K308 PolarHBondContact OD1-N 2.79Å
307R72.7Confident88Confident171 Ų17151.1 Ų51.165%0.64524%0.243SC*.THydrogen-bonded Turntrans-74.3-13.6171.8-66.2-176.8171.6179.7-2.7112.4N63N63-R307 PolarHBondContact O-NE 3.22Å; N63-R307 PolarHBondContact O-NH2 3.21Å
308K71.8Confident88Confident172 Ų17249.4 Ų49.475%0.74824%0.236SC*.THydrogen-bonded Turntrans-96.76177.5-56.6179.8-179.11780113.7D306 D310D306-K308 PolarHBondContact O-N 3.48Å; D306-K308 WeakPolarHBondContact OD1-CB 3.41Å; D306-K308 PolarHBondContact OD1-N 2.79Å; K308-D310 PolarHBondContact O-N 2.97Å
309L77.2Confident87.7Confident36 Ų3649.9 Ų49.919%0.18824%0.239CC..  trans-53.5135.5171.9-144.995.6000108.2H311 V333L309-H311 WeakPolarHBondContact CD2-O 3.49Å; L309-V333 HydrophobicContact CB-CG1 4.47Å; L309-V333 HydrophobicContact CB-CG2 4.39Å; L309-V333 HydrophobicContact CD2-CG2 4.37Å; L309-V333 WeakPolarHBondContact O-CB 3.29Å; L309-V333 WeakPolarHBondContact O-CG1 3.2Å
310D82.8Confident87.1Confident132 Ų13248.6 Ų48.671%0.70623%0.233SC*.SBendtrans-75.3-53.5177.9-70.4-36.5000109.9K308 V333K308-D310 PolarHBondContact O-N 2.97Å; D310-V333 PolarHBondContact O-N 3.1Å
311H86.4Confident86Confident113 Ų11349.2 Ų49.252%0.52324%0.237SC..EExtended strand (participates in β ladder)trans-133.3143.1-177.7-53161000112.1L309 D330 V331L309-H311 WeakPolarHBondContact CD2-O 3.49Å; H311-D330 HydrophobicContact CB-CB 4.27Å; H311-V331 CarbonylContact C-O 3.43Å; H311-V331 VanDerWaalsContact CA-O 3.23Å; H311-V331 WeakPolarHBondContact CA-O 3.47Å
312L88.6Confident84.8Confident0 Ų053.4 Ų53.40%026%0.255CS..EExtended strand (participates in β ladder)trans-96.8111.217117765.7000109.5F66 Y276 V281 L304 V314 V331 V333F66-L312 HydrophobicContact CB-CD2 4.47Å; F66-L312 HydrophobicContact CD1-CD2 4.2Å; F66-L312 HydrophobicContact CD2-CD2 4.48Å; F66-L312 HydrophobicContact CG-CD2 4.14Å; Y276-L312 HydrophobicContact CD1-CD1 4.45Å; Y276-L312 HydrophobicContact CD1-CD2 4.41Å; V281-L312 HydrophobicContact CG2-CD1 3.86Å; L304-L312 HydrophobicContact CD2-CD1 4.04Å; L304-L312 HydrophobicContact CD2-CD2 4.32Å; L312-V314 HydrophobicContact CD2-CG2 4.19Å; L312-V314 HydrophobicContact CG-CG2 3.99Å; L312-V331 HydrophobicContact CB-CB 4.45Å; L312-V331 PolarHBondContact N-O 3.08Å; L312-V331 PolarHBondContact O-N 3.39Å; L312-V333 HydrophobicContact CB-CG2 3.96Å
313H90.1Very high84Confident61 Ų6153.9 Ų53.928%0.28226%0.257SS..EExtended strand (participates in β ladder)trans-74.8132.7171.7-169.771.7000110.5P277 T329 D330P277-H313 WeakPolarHBondContact CD-O 3.39Å; P277-H313 HydrophobicContact CG-CB 4.05Å; H313-T329 WeakPolarHBondContact CA-O 3.49Å; H313-D330 WeakPolarHBondContact CA-OD1 3.36Å; H313-D330 WeakPolarHBondContact CB-OD1 3.47Å; H313-D330 IonicContact CE1-OD1 2.75Å; H313-D330 IonicContact CG-OD1 3.94Å; H313-D330 IonicContact ND1-OD1 2.85Å; H313-D330 PolarHBondContact ND1-OD1 2.87Å; H313-D330 IonicContact ND1-OD2 3.92Å
314V91.3Very high83.4Confident0 Ų052.3 Ų52.30%025%0.251CS..EExtended strand (participates in β ladder)trans-131.9132.2176.7-174.90000109.7I56 I59 I274 Y276 L312 V316 K328 T329I56-V314 HydrophobicContact CD1-CB 4.08Å; I56-V314 HydrophobicContact CD1-CG1 3.91Å; I56-V314 WeakPolarHBondContact CD1-O 3.33Å; I59-V314 HydrophobicContact CD1-CB 4.12Å; I59-V314 HydrophobicContact CD1-CG1 4.26Å; I59-V314 HydrophobicContact CD1-CG2 3.83Å; I274-V314 HydrophobicContact CG2-CG1 4.1Å; Y276-V314 HydrophobicContact CD1-CG1 4.43Å; Y276-V314 HydrophobicContact CD1-CG2 3.89Å; Y276-V314 HydrophobicContact CE1-CB 4.48Å; Y276-V314 HydrophobicContact CE1-CG1 3.97Å; Y276-V314 HydrophobicContact CE1-CG2 3.71Å; L312-V314 HydrophobicContact CD2-CG2 4.19Å; L312-V314 HydrophobicContact CG-CG2 3.99Å; V314-V316 HydrophobicContact CG1-CG2 4.47Å; V314-K328 WeakPolarHBondContact O-CA 3.22Å; V314-T329 HydrophobicContact CB-CG2 4.29Å; V314-T329 PolarHBondContact N-O 2.86Å; V314-T329 PolarHBondContact O-N 3.43Å
315E91.4Very high83Confident43 Ų4352.6 Ų52.620%0.20125%0.252CS..EExtended strand (participates in β ladder)trans-121.6125.6174.8178.7164.317900109.8I274 D275 T317 I326 L327 K328I274-E315 CarbonylContact C-O 3.6Å; I274-E315 WeakPolarHBondContact CA-O 3.34Å; D275-E315 HydrophobicContact CB-CB 4.39Å; D275-E315 PolarHBondContact N-O 2.89Å; D275-E315 PolarHBondContact O-N 2.98Å; D275-E315 VanDerWaalsContact O-N 3.15Å; E315-T317 HydrophobicContact CG-CG2 4.29Å; E315-I326 HydrophobicContact CG-CG2 4.08Å; E315-I326 WeakPolarHBondContact OE1-CG2 3.18Å; E315-L327 CarbonylContact C-O 3.59Å; E315-L327 WeakPolarHBondContact CA-O 3.37Å; E315-K328 HydrophobicContact CB-CG 4.48Å; E315-K328 HydrophobicContact CG-CG 4.19Å; E315-K328 WeakPolarHBondContact OE1-CE 3.48Å; E315-K328 IonicContact OE1-NZ 3.93Å; E315-K328 PolarHBondContact OE1-NZ 2.81Å; E315-K328 IonicContact OE2-NZ 3.73Å; E315-K328 PolarHBondContact OE2-NZ 3.16Å
316V91.4Very high82.9Confident1 Ų149.4 Ų49.41%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-112.7120.7173.9179.20000108.5I56 F70 I272 R273 I274 V314 I326 L327I56-V316 HydrophobicContact CD1-CB 4.48Å; I56-V316 HydrophobicContact CD1-CG2 3.87Å; I56-V316 HydrophobicContact CG1-CB 4.06Å; I56-V316 HydrophobicContact CG1-CG2 3.37Å; F70-V316 HydrophobicContact CE1-CG1 4.39Å; F70-V316 HydrophobicContact CE2-CG1 4.14Å; F70-V316 HydrophobicContact CZ-CG1 3.93Å; I272-V316 HydrophobicContact CG2-CG1 4.18Å; R273-V316 CarbonylContact O-C 3.56Å; R273-V316 VanDerWaalsContact O-CA 3.32Å; R273-V316 WeakPolarHBondContact O-CA 3.23Å; I274-V316 HydrophobicContact CB-CG2 4.45Å; I274-V316 HydrophobicContact CG1-CG1 4.26Å; I274-V316 HydrophobicContact CG1-CG2 4.02Å; I274-V316 HydrophobicContact CG2-CG2 4.08Å; V314-V316 HydrophobicContact CG1-CG2 4.47Å; V316-I326 CarbonylContact O-C 2.88Å; V316-I326 VanDerWaalsContact O-CA 3.29Å; V316-I326 WeakPolarHBondContact O-CA 3.49Å; V316-L327 HydrophobicContact CB-CB 4.24Å; V316-L327 PolarHBondContact N-O 2.69Å; V316-L327 PolarHBondContact O-N 2.92Å
317T91.5Very high83.3Confident30 Ų3047 Ų4718%0.18422%0.219CC..EExtended strand (participates in β ladder)trans-107.9135.917067.50000109.3I272 R273 E315 I325 I326I272-T317 CarbonylContact C-O 3.57Å; I272-T317 VanDerWaalsContact CA-O 3.28Å; I272-T317 WeakPolarHBondContact CA-O 3.12Å; R273-T317 WeakPolarHBondContact CB-OG1 3.39Å; R273-T317 PolarHBondContact N-O 2.93Å; R273-T317 PolarHBondContact O-N 3Å; E315-T317 HydrophobicContact CG-CG2 4.29Å; T317-I325 CarbonylContact C-O 3.53Å; T317-I325 WeakPolarHBondContact CA-O 3.43Å; T317-I326 HydrophobicContact CG2-CG1 4.11Å; T317-I326 HydrophobicContact CG2-CG2 4.21Å
318A90.1Very high83.9Confident6 Ų641.6 Ų41.65%0.0520%0.2CC..EExtended strand (participates in β ladder)trans-150160.7178.800000110.7L269 I272 F324 I325L269-A318 HydrophobicContact CB-CB 4.35Å; L269-A318 HydrophobicContact CD1-CB 4.01Å; L269-A318 HydrophobicContact CD2-CB 4.09Å; L269-A318 HydrophobicContact CG-CB 4.39Å; I272-A318 HydrophobicContact CG1-CB 4.01Å; A318-F324 WeakPolarHBondContact O-CA 3.29Å; A318-I325 PolarHBondContact N-O 3.36Å; A318-I325 PolarHBondContact O-N 3.13Å
319S86Confident84.5Confident9 Ų935.3 Ų35.36%0.06318%0.177CC..EExtended strand (participates in β ladder)trans-117.1142.4178.7-71.40000111.1R182 L269 S270R182-S319 PolarHBondContact NH1-OG 3.45Å; L269-S319 CarbonylContact C-O 3.45Å; L269-S319 WeakPolarHBondContact CA-O 3.42Å; S270-S319 PolarHBondContact N-O 2.91Å; S270-S319 WeakPolarHBondContact O-CB 3.34Å; S270-S319 PolarHBondContact O-N 2.81Å; S270-S319 WeakPolarHBondContact OG-CB 3.18Å
320N80.6Confident84.8Confident1 Ų138 Ų381%0.00519%0.191CC..  trans-121.1-177.3164.8-159.4-17.2000108.8P76 L78 R182 K322 K323P76-N320 PolarHBondContact O-ND2 2.77Å; L78-N320 WeakPolarHBondContact CD2-OD1 3.37Å; L78-N320 WeakPolarHBondContact CG-OD1 3.49Å; R182-N320 WeakPolarHBondContact CD-O 3.15Å; N320-K322 VanDerWaalsContact C-N 3.31Å; N320-K322 PolarHBondContact O-N 2.8Å; N320-K322 VanDerWaalsContact O-N 3.12Å; N320-K323 PolarHBondContact N-O 3.27Å; N320-K323 PolarHBondContact O-N 2.8Å
321S71.1Confident84.9Confident13 Ų1332.7 Ų32.79%0.09116%0.163CC..SBendtrans-41.3-51.6-170.8570000113.3R182 D555R182-S321 WeakPolarHBondContact CB-O 3.26Å; R182-S321 WeakPolarHBondContact CG-O 3.46Å; R182-S321 PolarHBondContact N-O 2.84Å; R182-S321 VanDerWaalsContact N-O 3.14Å; S321-D555 PolarHBondContact OG-OD2 2.93Å
322K71.7Confident84.7Confident88 Ų8830.4 Ų30.438%0.38316%0.158SC..SBendtrans-128.7-2.3179.5-66.2-172.1170.7-165.60114.2N320 E538N320-K322 VanDerWaalsContact C-N 3.31Å; N320-K322 PolarHBondContact O-N 2.8Å; N320-K322 VanDerWaalsContact O-N 3.12Å; K322-E538 IonicContact NZ-OE1 3.42Å; K322-E538 PolarHBondContact NZ-OE1 3.24Å; K322-E538 VanDerWaalsContact NZ-OE1 3.09Å; K322-E538 IonicContact NZ-OE2 3.53Å; K322-E538 PolarHBondContact NZ-OE2 2.87Å
323K76.5Confident84.3Confident10 Ų1030.9 Ų30.94%0.04316%0.162CC..  trans-120.1148.6-168.7-59.7-179.6-177.9177.20110.6R182 N320 D555 L557 V567 G568R182-K323 PolarHBondContact NH1-O 3.19Å; N320-K323 PolarHBondContact N-O 3.27Å; N320-K323 PolarHBondContact O-N 2.8Å; K323-D555 PolarHBondContact NZ-O 2.92Å; K323-L557 HydrophobicContact CD-CD1 3.42Å; K323-L557 VanDerWaalsContact CD-CD1 3.42Å; K323-L557 HydrophobicContact CD-CG 4.33Å; K323-V567 HydrophobicContact CB-CG1 4.32Å; K323-V567 HydrophobicContact CD-CG1 4.2Å; K323-G568 CarbonylContact C-O 3.6Å; K323-G568 VanDerWaalsContact CA-O 3.24Å; K323-G568 WeakPolarHBondContact CA-O 3.33Å
324F82.5Confident83.1Confident48 Ų4837.3 Ų37.321%0.21118%0.183CC..EExtended strand (participates in β ladder)trans-107.7149.1161.866.9-92.3000109A318 I326 V567 G568A318-F324 WeakPolarHBondContact O-CA 3.29Å; F324-I326 HydrophobicContact CD2-CD1 4.11Å; F324-I326 HydrophobicContact CD2-CG1 4.05Å; F324-I326 HydrophobicContact CE2-CD1 4.02Å; F324-I326 HydrophobicContact CE2-CG1 4.37Å; F324-V567 WeakPolarHBondContact O-CA 3.43Å; F324-G568 VanDerWaalsContact CD1-O 3.24Å; F324-G568 WeakPolarHBondContact CD1-O 3.04Å; F324-G568 VanDerWaalsContact CE1-C 3.44Å; F324-G568 VanDerWaalsContact CZ-CA 3.48Å; F324-G568 PolarHBondContact N-O 2.86Å; F324-G568 PolarHBondContact O-N 3.28Å; F324-G568 VanDerWaalsContact O-N 3.08Å
325I83.9Confident81.1Confident14 Ų1442.9 Ų42.97%0.07222%0.22CC..EExtended strand (participates in β ladder)trans-125.5132.3-179.8-56176.7000107L269 T317 A318 L327 V565 V566 V567L269-I325 HydrophobicContact CD2-CD1 4.07Å; T317-I325 CarbonylContact C-O 3.53Å; T317-I325 WeakPolarHBondContact CA-O 3.43Å; A318-I325 PolarHBondContact N-O 3.36Å; A318-I325 PolarHBondContact O-N 3.13Å; I325-L327 HydrophobicContact CG2-CD1 4.46Å; I325-L327 HydrophobicContact CG2-CD2 4Å; I325-L327 HydrophobicContact CG2-CG 3.94Å; I325-V565 HydrophobicContact CG2-CG2 4.39Å; I325-V566 CarbonylContact C-O 3.49Å; I325-V567 HydrophobicContact CG1-CG2 4.38Å
326I85.8Confident78.9Confident13 Ų1347.9 Ų47.97%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-127.2114.6172.6-53.9175.8000107.1E315 V316 T317 F324 K328 P452 V565 V566E315-I326 HydrophobicContact CG-CG2 4.08Å; E315-I326 WeakPolarHBondContact OE1-CG2 3.18Å; V316-I326 CarbonylContact O-C 2.88Å; V316-I326 VanDerWaalsContact O-CA 3.29Å; V316-I326 WeakPolarHBondContact O-CA 3.49Å; T317-I326 HydrophobicContact CG2-CG1 4.11Å; T317-I326 HydrophobicContact CG2-CG2 4.21Å; F324-I326 HydrophobicContact CD2-CD1 4.11Å; F324-I326 HydrophobicContact CD2-CG1 4.05Å; F324-I326 HydrophobicContact CE2-CD1 4.02Å; F324-I326 HydrophobicContact CE2-CG1 4.37Å; I326-K328 HydrophobicContact CG2-CG 4.23Å; I326-P452 HydrophobicContact CD1-CG 4.06Å; I326-V565 CarbonylContact O-C 3.58Å; I326-V565 WeakPolarHBondContact O-CA 3.41Å; I326-V566 HydrophobicContact CB-CB 4.21Å; I326-V566 PolarHBondContact N-O 3.45Å; I326-V566 PolarHBondContact O-N 2.83Å
327L85.4Confident76.3Confident25 Ų2557.2 Ų57.213%0.13128%0.284CS..EExtended strand (participates in β ladder)trans-105.4135.4177-55.9167.8000108.4I56 F70 E315 V316 I325 V565I56-L327 HydrophobicContact CB-CB 4.09Å; I56-L327 HydrophobicContact CB-CD1 4.46Å; I56-L327 HydrophobicContact CD1-CB 4.11Å; I56-L327 HydrophobicContact CG1-CB 3.9Å; F70-L327 HydrophobicContact CE2-CD1 4.14Å; E315-L327 CarbonylContact C-O 3.59Å; E315-L327 WeakPolarHBondContact CA-O 3.37Å; V316-L327 HydrophobicContact CB-CB 4.24Å; V316-L327 PolarHBondContact N-O 2.69Å; V316-L327 PolarHBondContact O-N 2.92Å; I325-L327 HydrophobicContact CG2-CD1 4.46Å; I325-L327 HydrophobicContact CG2-CD2 4Å; I325-L327 HydrophobicContact CG2-CG 3.94Å; L327-V565 HydrophobicContact CD2-CB 3.8Å; L327-V565 HydrophobicContact CD2-CG2 3.46Å; L327-V565 VanDerWaalsContact CD2-CG2 3.46Å
328K85.8Confident73.7Confident58 Ų5860.4 Ų60.425%0.25231%0.313SS..EExtended strand (participates in β ladder)trans-131.9135.7178-58.5-171.6-172.1-128.10110.6V314 E315 I326 S564V314-K328 WeakPolarHBondContact O-CA 3.22Å; E315-K328 HydrophobicContact CB-CG 4.48Å; E315-K328 HydrophobicContact CG-CG 4.19Å; E315-K328 WeakPolarHBondContact OE1-CE 3.48Å; E315-K328 IonicContact OE1-NZ 3.93Å; E315-K328 PolarHBondContact OE1-NZ 2.81Å; E315-K328 IonicContact OE2-NZ 3.73Å; E315-K328 PolarHBondContact OE2-NZ 3.16Å; I326-K328 HydrophobicContact CG2-CG 4.23Å; K328-S564 PolarHBondContact N-O 3.21Å
329T84.4Confident70.8Confident41 Ų4163.4 Ų63.425%0.25234%0.344SS..EExtended strand (participates in β ladder)trans-146.5155.3173.8-155.60000111.7I56 I59 H313 V314 V331I56-T329 HydrophobicContact CD1-CG2 3.91Å; I56-T329 HydrophobicContact CG2-CG2 3.69Å; I59-T329 HydrophobicContact CD1-CG2 4.04Å; H313-T329 WeakPolarHBondContact CA-O 3.49Å; V314-T329 HydrophobicContact CB-CG2 4.29Å; V314-T329 PolarHBondContact N-O 2.86Å; V314-T329 PolarHBondContact O-N 3.43Å; T329-V331 HydrophobicContact CG2-CG2 3.64Å
330D84.1Confident68.4Low93 Ų9372.8 Ų72.850%0.49738%0.384SS..EExtended strand (participates in β ladder)trans-113.7113.1167.9-69.3-53.2000108.6H311 H313H311-D330 HydrophobicContact CB-CB 4.27Å; H313-D330 WeakPolarHBondContact CA-OD1 3.36Å; H313-D330 WeakPolarHBondContact CB-OD1 3.47Å; H313-D330 IonicContact CE1-OD1 2.75Å; H313-D330 IonicContact CG-OD1 3.94Å; H313-D330 IonicContact ND1-OD1 2.85Å; H313-D330 PolarHBondContact ND1-OD1 2.87Å; H313-D330 IonicContact ND1-OD2 3.92Å
331V84.3Confident66.2Low19 Ų1980 Ų8012%0.11542%0.422CS..EExtended strand (participates in β ladder)trans-94.4125.8-177.3-173.80000109.8I59 V61 H311 L312 T329 V333I59-V331 HydrophobicContact CB-CG1 4.23Å; I59-V331 HydrophobicContact CB-CG2 3.88Å; I59-V331 HydrophobicContact CD1-CG2 3.51Å; I59-V331 HydrophobicContact CG1-CG2 4.28Å; I59-V331 HydrophobicContact CG2-CB 4.35Å; I59-V331 HydrophobicContact CG2-CG1 4.05Å; I59-V331 HydrophobicContact CG2-CG2 3.95Å; V61-V331 HydrophobicContact CG2-CG1 4.33Å; H311-V331 CarbonylContact C-O 3.43Å; H311-V331 VanDerWaalsContact CA-O 3.23Å; H311-V331 WeakPolarHBondContact CA-O 3.47Å; L312-V331 HydrophobicContact CB-CB 4.45Å; L312-V331 PolarHBondContact N-O 3.08Å; L312-V331 PolarHBondContact O-N 3.39Å; T329-V331 HydrophobicContact CG2-CG2 3.64Å; V331-V333 PolarHBondContact O-N 2.95Å
332P82.3Confident64.3Low65 Ų6585 Ų8542%0.42245%0.452SS..EExtended strand (participates in β ladder)trans-67.2122.8177.827.5-33.6000111.2R334P332-R334 VanDerWaalsContact C-N 3.28Å; P332-R334 HydrophobicContact CB-CG 4.35Å; P332-R334 PolarHBondContact O-N 2.93Å
333V79.1Confident62.7Low11 Ų1188 Ų887%0.06748%0.478CS..  trans-83.179.3172.9175.20000106.6V61 L304 L309 D310 L312 V331 P335V61-V333 HydrophobicContact CG1-CB 4.4Å; V61-V333 HydrophobicContact CG1-CG1 3.97Å; V61-V333 HydrophobicContact CG1-CG2 4.26Å; L304-V333 HydrophobicContact CD1-CG1 3.93Å; L304-V333 HydrophobicContact CD1-CG2 4.15Å; L309-V333 HydrophobicContact CB-CG1 4.47Å; L309-V333 HydrophobicContact CB-CG2 4.39Å; L309-V333 HydrophobicContact CD2-CG2 4.37Å; L309-V333 WeakPolarHBondContact O-CB 3.29Å; L309-V333 WeakPolarHBondContact O-CG1 3.2Å; D310-V333 PolarHBondContact O-N 3.1Å; L312-V333 HydrophobicContact CB-CG2 3.96Å; V331-V333 PolarHBondContact O-N 2.95Å; V333-P335 WeakPolarHBondContact O-CD 3.34Å
334R65.1Low60.7Low195 Ų19591 Ų9174%0.73651%0.511SS*.  trans-68129.1-177.2-68-174.9-179.4168.22.5110.4P332 Q336P332-R334 VanDerWaalsContact C-N 3.28Å; P332-R334 HydrophobicContact CB-CG 4.35Å; P332-R334 PolarHBondContact O-N 2.93Å; R334-Q336 PolarHBondContact O-N 3.02Å
335P49.7Very low58.2Low118 Ų11892.7 Ų92.777%0.76653%0.529SS*.  trans-70.7110.7150.227.7-26.7000106.3V333 K337V333-P335 WeakPolarHBondContact O-CD 3.34Å; P335-K337 VanDerWaalsContact C-N 3.27Å; P335-K337 PolarHBondContact O-N 3.39Å
336Q44.7Very low55.7Low148 Ų14898 Ų9869%0.69257%0.565SS**  trans-62.894.7168.5-77.7-174.511.600108.3R334 A338R334-Q336 PolarHBondContact O-N 3.02Å; Q336-A338 PolarHBondContact O-N 3.48Å
337K37.7Very low53.5Low197 Ų197107.6 Ų107.686%0.85760%0.6SS**  trans-68.1115.6141.8-78.8-174.3178.4179.20104.5P335 G339P335-K337 VanDerWaalsContact C-N 3.27Å; P335-K337 PolarHBondContact O-N 3.39Å; K337-G339 VanDerWaalsContact C-N 3.25Å; K337-G339 PolarHBondContact O-N 3.25Å
338A35.9Very low51.1Low97 Ų97112.3 Ų112.380%0.80263%0.632SS**  trans-5394.6170.400000108.6Q336 K340Q336-A338 PolarHBondContact O-N 3.48Å; A338-K340 PolarHBondContact O-N 3.47Å
339G31.1Very low48.8Very low68 Ų68113.5 Ų113.570%0.70166%0.661SS**  trans-68.3111.3170.100000107.1K337 D341K337-G339 VanDerWaalsContact C-N 3.25Å; K337-G339 PolarHBondContact O-N 3.25Å; G339-D341 PolarHBondContact O-N 2.95Å
340K34.3Very low46.4Very low206 Ų206114.7 Ų114.790%0.89668%0.682SS**  trans-56.990.7154.1-82.8177.8169.6178.80106.7A338A338-K340 PolarHBondContact O-N 3.47Å
341D33.9Very low44Very low152 Ų152118.3 Ų118.381%0.81370%0.701SS**  trans-165.759.3163.2-88.2-28.9000109.9G339G339-D341 PolarHBondContact O-N 2.95Å
342V32.8Very low42Very low120 Ų120121.4 Ų121.473%0.72774%0.737SS**  trans-146.689.4143.4-176.20000106.2G344V342-G344 PolarHBondContact O-N 3.48Å
343T37.9Very low39.8Very low149 Ų149127.5 Ų127.591%0.91476%0.759SS**THydrogen-bonded Turntrans-67.7107165.335.10000108.3
344G33.7Very low38.1Very low73 Ų73130 Ų13075%0.75379%0.787SS**THydrogen-bonded Turntrans1308.6160.600000119V342V342-G344 PolarHBondContact O-N 3.48Å
345S29.7Very low37.4Very low84 Ų84128.6 Ų128.659%0.58779%0.794SS**  trans-103.5112.3167.7-65.20000110R347S345-R347 PolarHBondContact O-N 3.47Å
346P32.4Very low38.2Very low125 Ų125128.6 Ų128.681%0.81279%0.793SS**  trans-67.8102.7169.31.513000107.2
347R38.4Very low40Very low215 Ų215122.5 Ų122.581%0.81177%0.765SS**  trans-57.6134.7155.8-71.1-178.3176.6-178-2.4106.2S345 G349S345-R347 PolarHBondContact O-N 3.47Å; R347-G349 PolarHBondContact O-N 3.08Å
348P35.8Very low42.4Very low125 Ų125118.5 Ų118.581%0.81275%0.749SS**  trans-55.2111.8175.3-19.230000108G350P348-G350 PolarHBondContact O-N 2.71Å
349G37.8Very low45.1Very low82 Ų82114 Ų11485%0.84571%0.711SS**  trans-65.599.8171.200000107.9R347R347-G349 PolarHBondContact O-N 3.08Å
350G32.8Very low48Very low67 Ų67113 Ų11369%0.69169%0.688SS**  trans-104.5126.6157.200000107.4P348P348-G350 PolarHBondContact O-N 2.71Å
351D34.4Very low50.8Low168 Ų168108.8 Ų108.890%0.89867%0.667SS**  trans-51.6150-178.2-61.9-52.3000113.2E353D351-E353 PolarHBondContact O-N 2.97Å
352G41.5Very low53.6Low84 Ų84103.7 Ų103.787%0.86664%0.639SS**SBendtrans-65.1123.3-161.700000116.2
353E37.9Very low56.6Low193 Ų19398.7 Ų98.790%0.90261%0.607SS**SBendtrans-162.9104.6143.7-140.9177.1178.500109.5D351D351-E353 PolarHBondContact O-N 2.97Å
354G43.1Very low59.2Low63 Ų6391.6 Ų91.665%0.64956%0.564SS**  trans68.9105.7167.200000116.6T356G354-T356 VanDerWaalsContact C-N 3.27Å; G354-T356 PolarHBondContact O-N 3.03Å
355D50.4Low62.1Low166 Ų16692.5 Ų92.589%0.88855%0.545SS*.  trans-58.992.1165.1-1464.9000108.1N357D355-N357 PolarHBondContact O-N 3.48Å
356T65Low65.2Low119 Ų11989.6 Ų89.673%0.7352%0.523SS*.  trans-69.4118.5-170.639.20000108.4G354 H358G354-T356 VanDerWaalsContact C-N 3.27Å; G354-T356 PolarHBondContact O-N 3.03Å; T356-H358 VanDerWaalsContact C-N 3.33Å; T356-H358 PolarHBondContact O-N 3.32Å
357N83Confident68.1Low19 Ų1983.9 Ų83.910%0.10249%0.486CS..  trans-65.893.5176.7-176.5-2.2000109.6L62 D355 I359 E360 R361L62-N357 WeakPolarHBondContact CD2-OD1 3.47Å; L62-N357 PolarHBondContact O-ND2 3Å; D355-N357 PolarHBondContact O-N 3.48Å; N357-I359 VanDerWaalsContact C-N 3.26Å; N357-I359 PolarHBondContact O-N 2.77Å; N357-I359 PolarHBondContact OD1-N 3.04Å; N357-E360 HydrophobicContact CB-CB 3.84Å; N357-E360 VanDerWaalsContact CG-CB 3.45Å; N357-E360 WeakPolarHBondContact ND2-CB 3.43Å; N357-E360 WeakPolarHBondContact O-CB 3.38Å; N357-E360 PolarHBondContact O-N 3.24Å; N357-E360 PolarHBondContact OD1-N 3.41Å; N357-R361 PolarHBondContact O-N 2.81Å
358H88.5Confident70.8Confident113 Ų11373.8 Ų73.852%0.52345%0.448SS..Hα-helixtrans-64.2-30.4-17860.5-85.8000112.3T356 R361 L362T356-H358 VanDerWaalsContact C-N 3.33Å; T356-H358 PolarHBondContact O-N 3.32Å; H358-R361 PolarHBondContact O-N 2.62Å; H358-L362 WeakPolarHBondContact O-CB 3.49Å; H358-L362 PolarHBondContact O-N 3.14Å
359I91.8Very high73.4Confident4 Ų471.8 Ų71.82%0.02143%0.426CS..Hα-helixtrans-66.5-42.1174.3-59-167.7000110.4Q60 L62 V67 N357 L362 W363Q60-I359 HydrophobicContact CB-CD1 3.74Å; L62-I359 HydrophobicContact CB-CB 4.33Å; L62-I359 HydrophobicContact CB-CD1 3.59Å; L62-I359 HydrophobicContact CB-CG1 4.09Å; L62-I359 HydrophobicContact CD2-CG1 4.46Å; V67-I359 HydrophobicContact CB-CG2 4.32Å; V67-I359 HydrophobicContact CG1-CD1 4.22Å; V67-I359 HydrophobicContact CG1-CG1 4.37Å; V67-I359 HydrophobicContact CG1-CG2 4.25Å; N357-I359 VanDerWaalsContact C-N 3.26Å; N357-I359 PolarHBondContact O-N 2.77Å; N357-I359 PolarHBondContact OD1-N 3.04Å; I359-L362 PolarHBondContact O-N 2.72Å; I359-W363 WeakPolarHBondContact O-CB 3.25Å; I359-W363 PolarHBondContact O-N 3.45Å
360E93.2Very high75.9Confident45 Ų4570 Ų7021%0.2140%0.396CS..Hα-helixtrans-63.7-41.8174.2172.5171.6-164.900112.1Y65 N357 L362 W363 S364 Y398Y65-E360 HydrophobicContact CD1-CB 4.27Å; Y65-E360 HydrophobicContact CD1-CG 4.35Å; Y65-E360 HydrophobicContact CD2-CB 3.63Å; Y65-E360 HydrophobicContact CD2-CG 3.99Å; Y65-E360 HydrophobicContact CE1-CB 4.39Å; Y65-E360 HydrophobicContact CE1-CG 3.98Å; Y65-E360 HydrophobicContact CE2-CB 3.73Å; Y65-E360 HydrophobicContact CE2-CG 3.54Å; Y65-E360 WeakPolarHBondContact CE2-OE2 3.4Å; Y65-E360 HydrophobicContact CG-CB 3.88Å; Y65-E360 HydrophobicContact CG-CG 4.34Å; Y65-E360 VanDerWaalsContact CZ-CD 3.45Å; Y65-E360 PolarHBondContact OH-OE1 3.22Å; N357-E360 HydrophobicContact CB-CB 3.84Å; N357-E360 VanDerWaalsContact CG-CB 3.45Å; N357-E360 WeakPolarHBondContact ND2-CB 3.43Å; N357-E360 WeakPolarHBondContact O-CB 3.38Å; N357-E360 PolarHBondContact O-N 3.24Å; N357-E360 PolarHBondContact OD1-N 3.41Å; E360-L362 VanDerWaalsContact C-N 3.33Å; E360-W363 PolarHBondContact O-N 2.91Å; E360-S364 PolarHBondContact O-N 2.81Å; E360-S364 PolarHBondContact O-OG 3.16Å; E360-Y398 HydrophobicContact CG-CE1 3.7Å; E360-Y398 PolarHBondContact OE1-OH 2.86Å
361R92.9Very high78.8Confident119 Ų11967.5 Ų67.545%0.44937%0.367SS..Hα-helixtrans-64.8-37175.2-173.4175.4176.274.8-0.1112N357 H358 S364 Y365 Y398 F400N357-R361 PolarHBondContact O-N 2.81Å; H358-R361 PolarHBondContact O-N 2.62Å; R361-S364 PolarHBondContact O-OG 3.48Å; R361-Y365 WeakPolarHBondContact O-CB 3.28Å; R361-Y365 PolarHBondContact O-N 3Å; R361-Y398 PolarHBondContact NH1-O 2.89Å; R361-F400 HydrophobicContact CG-CE1 4.34Å; R361-F400 HydrophobicContact CG-CZ 3.99Å; R361-F400 VanDerWaalsContact CZ-CE1 3.49Å
362L92.9Very high81.5Confident45 Ų4561.2 Ų61.224%0.23633%0.333CS..Hα-helixtrans-68-44.3175.2-179.959.3000111.3V67 Y69 H358 I359 E360 S364 Y365 L366V67-L362 HydrophobicContact CB-CD2 4.2Å; V67-L362 HydrophobicContact CG1-CD2 4.48Å; V67-L362 HydrophobicContact CG2-CD2 3.74Å; Y69-L362 WeakPolarHBondContact OH-CD2 3.13Å; H358-L362 WeakPolarHBondContact O-CB 3.49Å; H358-L362 PolarHBondContact O-N 3.14Å; I359-L362 PolarHBondContact O-N 2.72Å; E360-L362 VanDerWaalsContact C-N 3.33Å; L362-S364 VanDerWaalsContact C-N 3.32Å; L362-S364 PolarHBondContact O-N 2.8Å; L362-Y365 HydrophobicContact CD1-CD1 4.47Å; L362-Y365 PolarHBondContact O-N 2.81Å; L362-L366 HydrophobicContact CD1-CD1 4.14Å; L362-L366 HydrophobicContact CD1-CG 4.11Å; L362-L366 HydrophobicContact CG-CD1 4.16Å; L362-L366 WeakPolarHBondContact O-CG 3.32Å; L362-L366 PolarHBondContact O-N 3.25Å
363W94.6Very high83.7Confident14 Ų1459.1 Ų59.15%0.05331%0.305CS..Hα-helixtrans-55.9-46.8173.2166.777.8000111.8Y65 A301 I359 E360 T367 L394 Y398Y65-W363 HydrophobicContact CD1-CB 4.21Å; Y65-W363 AromaticContact CD1-CD2 3.91Å; Y65-W363 HydrophobicContact CD1-CD2 3.91Å; Y65-W363 HydrophobicContact CD1-CE3 4Å; Y65-W363 AromaticContact CD1-CG 4Å; Y65-W363 HydrophobicContact CD1-CG 4Å; Y65-W363 AromaticContact CE1-CD2 3.79Å; Y65-W363 HydrophobicContact CE1-CD2 3.79Å; Y65-W363 AromaticContact CE1-CE3 3.5Å; Y65-W363 HydrophobicContact CE1-CE3 3.5Å; Y65-W363 VanDerWaalsContact CE1-CE3 3.5Å; Y65-W363 HydrophobicContact CE1-CG 4.37Å; Y65-W363 HydrophobicContact CE1-CH2 4.43Å; Y65-W363 AromaticContact CE1-CZ3 3.85Å; Y65-W363 HydrophobicContact CE1-CZ3 3.85Å; A301-W363 HydrophobicContact CB-CB 3.85Å; A301-W363 HydrophobicContact CB-CG 4.38Å; I359-W363 WeakPolarHBondContact O-CB 3.25Å; I359-W363 PolarHBondContact O-N 3.45Å; E360-W363 PolarHBondContact O-N 2.91Å; W363-T367 PolarHBondContact NE1-OG1 2.78Å; W363-T367 VanDerWaalsContact O-CB 3.24Å; W363-T367 WeakPolarHBondContact O-CB 3.44Å; W363-T367 PolarHBondContact O-N 2.04Å; W363-T367 PolarHBondContact O-OG1 2.88Å; W363-L394 HydrophobicContact CH2-CD1 4.37Å; W363-L394 HydrophobicContact CZ3-CD1 4.25Å; W363-Y398 HydrophobicContact CZ3-CE2 4.19Å
364S93.8Very high86.2Confident0 Ų050.7 Ų50.70%027%0.268CS..Hα-helixtrans-67.9-39.2179.764.20000111.8E360 R361 L362 T367 T368 L394 Y398 F400E360-S364 PolarHBondContact O-N 2.81Å; E360-S364 PolarHBondContact O-OG 3.16Å; R361-S364 PolarHBondContact O-OG 3.48Å; L362-S364 VanDerWaalsContact C-N 3.32Å; L362-S364 PolarHBondContact O-N 2.8Å; S364-T367 PolarHBondContact O-N 3.42Å; S364-T368 WeakPolarHBondContact O-CB 3.11Å; S364-T368 PolarHBondContact O-N 2.81Å; S364-T368 PolarHBondContact O-OG1 2.83Å; S364-T368 VanDerWaalsContact O-OG1 3.08Å; S364-L394 WeakPolarHBondContact O-CD2 3.25Å; S364-Y398 WeakPolarHBondContact OG-CD1 3.37Å; S364-F400 WeakPolarHBondContact OG-CE2 3.47Å
365Y93.8Very high88.6Confident92 Ų9251.2 Ų51.236%0.36125%0.25SS..Hα-helixtrans-59-51.5174.2174.8-100.8000112.5R361 L362 T368 K369 F400R361-Y365 WeakPolarHBondContact O-CB 3.28Å; R361-Y365 PolarHBondContact O-N 3Å; L362-Y365 HydrophobicContact CD1-CD1 4.47Å; L362-Y365 PolarHBondContact O-N 2.81Å; Y365-T368 PolarHBondContact O-N 2.82Å; Y365-K369 HydrophobicContact CE1-CD 3.82Å; Y365-K369 VanDerWaalsContact CZ-CE 3.49Å; Y365-K369 PolarHBondContact O-N 2.95Å; Y365-K369 WeakPolarHBondContact OH-CE 3.34Å; Y365-K369 PolarHBondContact OH-NZ 3.06Å; Y365-F400 HydrophobicContact CD2-CE1 4.29Å; Y365-F400 HydrophobicContact CD2-CZ 4.4Å
366L94.3Very high90.3Very high23 Ų2344.3 Ų44.312%0.1221%0.213CC..Hα-helixtrans-64.9-42.4179.6-67.7176.3000111.3T285 I299 A301 L362 T368 K369 E370T285-L366 HydrophobicContact CG2-CB 3.92Å; I299-L366 HydrophobicContact CB-CD1 4.43Å; I299-L366 HydrophobicContact CG2-CD1 3.74Å; A301-L366 HydrophobicContact CB-CD1 3.9Å; L362-L366 HydrophobicContact CD1-CD1 4.14Å; L362-L366 HydrophobicContact CD1-CG 4.11Å; L362-L366 HydrophobicContact CG-CD1 4.16Å; L362-L366 WeakPolarHBondContact O-CG 3.32Å; L362-L366 PolarHBondContact O-N 3.25Å; L366-T368 VanDerWaalsContact C-N 3.34Å; L366-T368 PolarHBondContact O-N 2.85Å; L366-K369 PolarHBondContact O-N 2.9Å; L366-E370 WeakPolarHBondContact O-CG 3.13Å; L366-E370 PolarHBondContact O-N 2.98Å
367T94.6Very high91.3Very high5 Ų540.1 Ų40.13%0.03119%0.185CC..Hα-helixtrans-61-42.3175.4-59.60000111.5W363 S364 E370 L371 L394W363-T367 PolarHBondContact NE1-OG1 2.78Å; W363-T367 VanDerWaalsContact O-CB 3.24Å; W363-T367 WeakPolarHBondContact O-CB 3.44Å; W363-T367 PolarHBondContact O-N 2.04Å; W363-T367 PolarHBondContact O-OG1 2.88Å; S364-T367 PolarHBondContact O-N 3.42Å; T367-E370 PolarHBondContact O-N 3.23Å; T367-L371 HydrophobicContact CG2-CD1 4.19Å; T367-L371 VanDerWaalsContact O-CG 3.29Å; T367-L371 WeakPolarHBondContact O-CG 3.35Å; T367-L371 PolarHBondContact O-N 2.98Å; T367-L394 HydrophobicContact CG2-CD2 3.57Å
368T94.1Very high91.4Very high4 Ų439.7 Ų39.73%0.02518%0.184CC..Hα-helixtrans-61.6-45.5174.6-68.10000111.1S364 Y365 L366 E370 L371 L372 L394 T402S364-T368 WeakPolarHBondContact O-CB 3.11Å; S364-T368 PolarHBondContact O-N 2.81Å; S364-T368 PolarHBondContact O-OG1 2.83Å; S364-T368 VanDerWaalsContact O-OG1 3.08Å; Y365-T368 PolarHBondContact O-N 2.82Å; L366-T368 VanDerWaalsContact C-N 3.34Å; L366-T368 PolarHBondContact O-N 2.85Å; T368-E370 VanDerWaalsContact C-N 3.32Å; T368-E370 PolarHBondContact O-N 3.29Å; T368-L371 PolarHBondContact O-N 2.76Å; T368-L372 HydrophobicContact CG2-CD1 4.18Å; T368-L372 HydrophobicContact CG2-CG 4.41Å; T368-L372 WeakPolarHBondContact O-CG 3.5Å; T368-L372 PolarHBondContact O-N 3.15Å; T368-L394 WeakPolarHBondContact OG1-CD2 3.44Å; T368-T402 HydrophobicContact CG2-CG2 4Å
369K91.4Very high91.2Very high82 Ų8237.5 Ų37.536%0.35718%0.176SC..Hα-helixtrans-58.7-41.4176.1-84.1-167.2158.1-178.70112.5Y365 L366 L372 S373Y365-K369 HydrophobicContact CE1-CD 3.82Å; Y365-K369 VanDerWaalsContact CZ-CE 3.49Å; Y365-K369 PolarHBondContact O-N 2.95Å; Y365-K369 WeakPolarHBondContact OH-CE 3.34Å; Y365-K369 PolarHBondContact OH-NZ 3.06Å; L366-K369 PolarHBondContact O-N 2.9Å; K369-L372 PolarHBondContact O-N 3.02Å; K369-S373 WeakPolarHBondContact O-CB 3.48Å; K369-S373 PolarHBondContact O-N 2.77Å; K369-S373 PolarHBondContact O-OG 2.96Å
370E90.8Very high91.1Very high44 Ų4441.3 Ų41.321%0.20620%0.196CC..Hα-helixtrans-66.5-37.8176.6-72.6-170.9158.700113.3T285 K286 L366 T367 T368 S373 S374T285-E370 WeakPolarHBondContact CA-OE2 3.43Å; T285-E370 VanDerWaalsContact CB-OE1 3.31Å; T285-E370 WeakPolarHBondContact CB-OE1 3.37Å; T285-E370 WeakPolarHBondContact CB-OE2 3.43Å; K286-E370 WeakPolarHBondContact CB-OE1 3.45Å; K286-E370 PolarHBondContact N-OE1 2.93Å; L366-E370 WeakPolarHBondContact O-CG 3.13Å; L366-E370 PolarHBondContact O-N 2.98Å; T367-E370 PolarHBondContact O-N 3.23Å; T368-E370 VanDerWaalsContact C-N 3.32Å; T368-E370 PolarHBondContact O-N 3.29Å; E370-S373 PolarHBondContact O-N 3.42Å; E370-S374 WeakPolarHBondContact O-CB 3.32Å; E370-S374 PolarHBondContact O-N 3Å; E370-S374 PolarHBondContact O-OG 3.03Å
371L93.1Very high91Very high15 Ų1545.3 Ų45.38%0.07922%0.215CC..Hα-helixtrans-66.2-42.5175.4-69.8168.2000111.3T367 T368 S374 W375 L387 R390 A391 L394T367-L371 HydrophobicContact CG2-CD1 4.19Å; T367-L371 VanDerWaalsContact O-CG 3.29Å; T367-L371 WeakPolarHBondContact O-CG 3.35Å; T367-L371 PolarHBondContact O-N 2.98Å; T368-L371 PolarHBondContact O-N 2.76Å; L371-S374 PolarHBondContact O-N 2.87Å; L371-W375 WeakPolarHBondContact O-CB 3.4Å; L371-W375 PolarHBondContact O-N 3.25Å; L371-L387 HydrophobicContact CD2-CD2 3.95Å; L371-R390 HydrophobicContact CD1-CB 4.11Å; L371-R390 HydrophobicContact CD2-CB 4.28Å; L371-A391 HydrophobicContact CB-CB 3.84Å; L371-A391 HydrophobicContact CD1-CB 4.29Å; L371-L394 HydrophobicContact CD1-CD2 4.41Å
372L90.8Very high91.1Very high37 Ų3744 Ų4419%0.19422%0.222CC..Hα-helixtrans-61.9-43.7174.5-68175.4000111.7T368 K369 W375 L376 A391 F404T368-L372 HydrophobicContact CG2-CD1 4.18Å; T368-L372 HydrophobicContact CG2-CG 4.41Å; T368-L372 WeakPolarHBondContact O-CG 3.5Å; T368-L372 PolarHBondContact O-N 3.15Å; K369-L372 PolarHBondContact O-N 3.02Å; L372-W375 WeakPolarHBondContact O-CB 3.39Å; L372-W375 PolarHBondContact O-N 2.78Å; L372-L376 PolarHBondContact O-N 3.04Å; L372-A391 HydrophobicContact CD2-CB 4.36Å; L372-F404 HydrophobicContact CD2-CD2 3.67Å; L372-F404 HydrophobicContact CD2-CE2 3.27Å; L372-F404 HydrophobicContact CD2-CZ 3.85Å
373S88.8Confident91.1Very high39 Ų3945.5 Ų45.527%0.27323%0.228SC..Hα-helixtrans-64.4-43.6177.7-560000111.6K369 E370 W375 L376 Q377K369-S373 WeakPolarHBondContact O-CB 3.48Å; K369-S373 PolarHBondContact O-N 2.77Å; K369-S373 PolarHBondContact O-OG 2.96Å; E370-S373 PolarHBondContact O-N 3.42Å; S373-W375 VanDerWaalsContact C-N 3.32Å; S373-W375 PolarHBondContact O-N 2.97Å; S373-L376 PolarHBondContact O-N 3.31Å; S373-Q377 WeakPolarHBondContact O-CG 3.23Å; S373-Q377 PolarHBondContact O-N 3.48Å; S373-Q377 VanDerWaalsContact O-N 3.07Å
374S90.5Very high91.1Very high17 Ų1745.6 Ų45.612%0.11923%0.228CC..Hα-helixtrans-64.4-37.6175.9-57.90000111.7E370 L371 L376 Q377 S378 R439E370-S374 WeakPolarHBondContact O-CB 3.32Å; E370-S374 PolarHBondContact O-N 3Å; E370-S374 PolarHBondContact O-OG 3.03Å; L371-S374 PolarHBondContact O-N 2.87Å; S374-L376 VanDerWaalsContact C-N 3.33Å; S374-Q377 PolarHBondContact O-N 3.05Å; S374-S378 PolarHBondContact O-N 3.06Å; S374-R439 PolarHBondContact OG-NH1 2.85Å; S374-R439 PolarHBondContact OG-NH2 3.41Å
375W91.8Very high91.2Very high74 Ų7449 Ų4928%0.2824%0.244SC..Hα-helixtrans-63.7-40.3176.1172.584.9000111.7L371 L372 S373 K384 L387 F404L371-W375 WeakPolarHBondContact O-CB 3.4Å; L371-W375 PolarHBondContact O-N 3.25Å; L372-W375 WeakPolarHBondContact O-CB 3.39Å; L372-W375 PolarHBondContact O-N 2.78Å; S373-W375 VanDerWaalsContact C-N 3.32Å; S373-W375 PolarHBondContact O-N 2.97Å; W375-K384 VanDerWaalsContact CD1-O 3.23Å; W375-K384 WeakPolarHBondContact O-CE 3.45Å; W375-L387 HydrophobicContact CB-CB 4.07Å; W375-L387 HydrophobicContact CB-CD1 4.49Å; W375-F404 HydrophobicContact CD2-CE1 4.44Å; W375-F404 AromaticContact CD2-CZ 3.63Å; W375-F404 HydrophobicContact CD2-CZ 3.63Å; W375-F404 AromaticContact CE2-CZ 3.76Å; W375-F404 AromaticContact CE3-CZ 3.92Å; W375-F404 HydrophobicContact CE3-CZ 3.92Å; W375-F404 HydrophobicContact CG-CE2 4.47Å; W375-F404 AromaticContact CG-CZ 3.97Å; W375-F404 HydrophobicContact CG-CZ 3.97Å; W375-F404 HydrophobicContact CH2-CE1 4.35Å; W375-F404 HydrophobicContact CH2-CZ 4.42Å; W375-F404 HydrophobicContact CZ2-CE1 4.19Å; W375-F404 HydrophobicContact CZ2-CZ 4.17Å; W375-F404 HydrophobicContact CZ3-CZ 4.31Å
376L87.4Confident91.3Very high20 Ų2051.2 Ų51.211%0.10525%0.252CS..Hα-helixtrans-66.4-39.3177-17466.9000111.6R231 E234 K235 L238 L372 S373 S374R231-L376 HydrophobicContact CG-CD1 4.49Å; E234-L376 HydrophobicContact CG-CD2 3.72Å; E234-L376 WeakPolarHBondContact OE2-CD2 3.13Å; K235-L376 WeakPolarHBondContact CE-O 3.47Å; K235-L376 HydrophobicContact CG-CG 4.39Å; K235-L376 PolarHBondContact NZ-O 3.44Å; L238-L376 HydrophobicContact CD1-CD2 3.69Å; L372-L376 PolarHBondContact O-N 3.04Å; S373-L376 PolarHBondContact O-N 3.31Å; S374-L376 VanDerWaalsContact C-N 3.33Å
377Q84.5Confident91.4Very high31 Ų3150.6 Ų50.615%0.14525%0.249CC..Hα-helixtrans-69.3-41.7179.2-73.7175.7-19.100113.2L238 S373 S374 D379L238-Q377 HydrophobicContact CB-CG 4.31Å; L238-Q377 PolarHBondContact O-NE2 3.19Å; S373-Q377 WeakPolarHBondContact O-CG 3.23Å; S373-Q377 PolarHBondContact O-N 3.48Å; S373-Q377 VanDerWaalsContact O-N 3.07Å; S374-Q377 PolarHBondContact O-N 3.05Å; Q377-D379 PolarHBondContact O-N 3.45Å
378S86.9Confident91.4Very high11 Ų1155 Ų558%0.07727%0.265CS..  trans-65.4136-174.7-174.80000111.3S374 D380 E383 K384S374-S378 PolarHBondContact O-N 3.06Å; S378-D380 PolarHBondContact OG-N 3.35Å; S378-D380 PolarHBondContact OG-O 3.29Å; S378-E383 WeakPolarHBondContact CB-OE2 3.28Å; S378-E383 PolarHBondContact OG-OE2 3.49Å; S378-K384 WeakPolarHBondContact O-CD 3.5Å; S378-K384 WeakPolarHBondContact O-CE 3.32Å; S378-K384 PolarHBondContact O-NZ 3.49Å
379D82.8Confident91.6Very high67 Ų6759.9 Ų59.936%0.35829%0.287SS..  trans-106.1-1.3171.1-63.6-44.5000111.5L203 K235 Q377L203-D379 HydrophobicContact CD2-CB 4.46Å; L203-D379 WeakPolarHBondContact CD2-OD2 3.4Å; K235-D379 IonicContact NZ-OD1 3.76Å; K235-D379 PolarHBondContact NZ-OD1 2.57Å; Q377-D379 PolarHBondContact O-N 3.45Å
380D89.6Confident91.8Very high84 Ų8461.6 Ų61.645%0.44929%0.292SS..  trans-86.7115.7174.8-178.555.6000110.2S378 P382 E383 K384S378-D380 PolarHBondContact OG-N 3.35Å; S378-D380 PolarHBondContact OG-O 3.29Å; D380-P382 WeakPolarHBondContact OD1-CD 3.35Å; D380-E383 HydrophobicContact CB-CB 4.01Å; D380-E383 PolarHBondContact O-N 3.02Å; D380-E383 VanDerWaalsContact OD2-CB 3.3Å; D380-E383 WeakPolarHBondContact OD2-CB 3.26Å; D380-E383 PolarHBondContact OD2-N 3.44Å; D380-K384 WeakPolarHBondContact O-CB 3.26Å; D380-K384 PolarHBondContact O-N 3.13Å
381E91.2Very high92Very high129 Ų12959.5 Ų59.560%0.60328%0.282SS*.Hα-helixtrans-62.1-43.6-176-72.3-59140.900113.7E383 K384 E385E381-E383 PolarHBondContact O-N 2.88Å; E381-K384 WeakPolarHBondContact O-CB 3.16Å; E381-K384 PolarHBondContact O-N 3.2Å; E381-K384 IonicContact OE1-NZ 3.35Å; E381-E385 PolarHBondContact O-N 3.36Å
382P95.1Very high92.1Very high90 Ų9062.3 Ų62.358%0.58430%0.295SS*.Hα-helixtrans-56.5-46.3171.3-25.733.4000113.6D380 E385 R386D380-P382 WeakPolarHBondContact OD1-CD 3.35Å; P382-E385 PolarHBondContact O-N 3.46Å; P382-R386 PolarHBondContact O-N 3.01Å; P382-R386 VanDerWaalsContact O-N 3.11Å
383E94Very high92.4Very high78 Ų7863.6 Ų63.636%0.36431%0.31SS..Hα-helixtrans-64.2-43.5176.9-174.7-179.1-15200112S378 D380 E381 E385 R386 L387S378-E383 WeakPolarHBondContact CB-OE2 3.28Å; S378-E383 PolarHBondContact OG-OE2 3.49Å; D380-E383 HydrophobicContact CB-CB 4.01Å; D380-E383 PolarHBondContact O-N 3.02Å; D380-E383 VanDerWaalsContact OD2-CB 3.3Å; D380-E383 WeakPolarHBondContact OD2-CB 3.26Å; D380-E383 PolarHBondContact OD2-N 3.44Å; E381-E383 PolarHBondContact O-N 2.88Å; E383-E385 PolarHBondContact O-N 3.06Å; E383-R386 WeakPolarHBondContact O-CB 3.43Å; E383-R386 PolarHBondContact O-N 2.9Å; E383-L387 HydrophobicContact CG-CD1 3.89Å; E383-L387 HydrophobicContact CG-CG 4.27Å; E383-L387 VanDerWaalsContact O-CG 3.32Å; E383-L387 WeakPolarHBondContact O-CG 3.46Å; E383-L387 PolarHBondContact O-N 3.46Å
384K93.8Very high92.6Very high16 Ų1662.9 Ų62.97%0.0730%0.303CS..Hα-helixtrans-55.8-49.3175.1-91174.7150.6142.90112W375 S378 D380 E381 R386 L387 R388W375-K384 VanDerWaalsContact CD1-O 3.23Å; W375-K384 WeakPolarHBondContact O-CE 3.45Å; S378-K384 WeakPolarHBondContact O-CD 3.5Å; S378-K384 WeakPolarHBondContact O-CE 3.32Å; S378-K384 PolarHBondContact O-NZ 3.49Å; D380-K384 WeakPolarHBondContact O-CB 3.26Å; D380-K384 PolarHBondContact O-N 3.13Å; E381-K384 WeakPolarHBondContact O-CB 3.16Å; E381-K384 PolarHBondContact O-N 3.2Å; E381-K384 IonicContact OE1-NZ 3.35Å; K384-R386 VanDerWaalsContact C-N 3.29Å; K384-R386 PolarHBondContact O-N 3.18Å; K384-L387 PolarHBondContact O-N 2.91Å; K384-R388 WeakPolarHBondContact O-CB 3.41Å; K384-R388 PolarHBondContact O-N 3.41Å
385E95.5Very high92.8Very high72 Ų7262.1 Ų62.134%0.33630%0.298SS..Hα-helixtrans-63.3-39.5-179.8-174.554.5-151.300110.8E381 P382 E383 L387 R388 Q389E381-E385 PolarHBondContact O-N 3.36Å; P382-E385 PolarHBondContact O-N 3.46Å; E383-E385 PolarHBondContact O-N 3.06Å; E385-L387 PolarHBondContact O-N 3.12Å; E385-R388 PolarHBondContact O-N 3.07Å; E385-R388 IonicContact OE1-NH1 3.87Å; E385-R388 WeakPolarHBondContact OE2-CD 3.34Å; E385-R388 IonicContact OE2-CZ 2.72Å; E385-R388 IonicContact OE2-NH1 3.59Å; E385-R388 PolarHBondContact OE2-NH1 2.88Å; E385-Q389 WeakPolarHBondContact O-CB 3.4Å; E385-Q389 VanDerWaalsContact O-CG 3.28Å; E385-Q389 WeakPolarHBondContact O-CG 3.5Å; E385-Q389 PolarHBondContact O-N 3.34Å; E385-Q389 WeakPolarHBondContact OE1-CG 3.04Å; E385-Q389 PolarHBondContact OE1-NE2 3.32Å
386R96.8Very high92.9Very high138 Ų13863 Ų6352%0.52131%0.311SS..Hα-helixtrans-60.3-45.3172.9-172.2-174.473.4166.1-1.5112.5P382 E383 K384 R390P382-R386 PolarHBondContact O-N 3.01Å; P382-R386 VanDerWaalsContact O-N 3.11Å; E383-R386 WeakPolarHBondContact O-CB 3.43Å; E383-R386 PolarHBondContact O-N 2.9Å; K384-R386 VanDerWaalsContact C-N 3.29Å; K384-R386 PolarHBondContact O-N 3.18Å; R386-R390 WeakPolarHBondContact O-CG 3.49Å; R386-R390 PolarHBondContact O-N 3Å; R386-R390 VanDerWaalsContact O-N 3.13Å
387L96Very high93.2Very high9 Ų966.2 Ų66.25%0.04734%0.335CS..Hα-helixtrans-65.4-43.5179.4-72168.3000111.4L371 W375 E383 K384 E385 R390 A391L371-L387 HydrophobicContact CD2-CD2 3.95Å; W375-L387 HydrophobicContact CB-CB 4.07Å; W375-L387 HydrophobicContact CB-CD1 4.49Å; E383-L387 HydrophobicContact CG-CD1 3.89Å; E383-L387 HydrophobicContact CG-CG 4.27Å; E383-L387 VanDerWaalsContact O-CG 3.32Å; E383-L387 WeakPolarHBondContact O-CG 3.46Å; E383-L387 PolarHBondContact O-N 3.46Å; K384-L387 PolarHBondContact O-N 2.91Å; E385-L387 PolarHBondContact O-N 3.12Å; L387-R390 PolarHBondContact O-N 3.46Å; L387-A391 WeakPolarHBondContact O-CB 3.42Å; L387-A391 PolarHBondContact O-N 3.35Å
388R95.4Very high93.5Very high99 Ų9966.7 Ų66.737%0.37434%0.336SS..Hα-helixtrans-58.9-50.5175.7176.8-169.4162.6-162.31.3111.4K384 E385 R390 A391 Q392 F404K384-R388 WeakPolarHBondContact O-CB 3.41Å; K384-R388 PolarHBondContact O-N 3.41Å; E385-R388 PolarHBondContact O-N 3.07Å; E385-R388 IonicContact OE1-NH1 3.87Å; E385-R388 WeakPolarHBondContact OE2-CD 3.34Å; E385-R388 IonicContact OE2-CZ 2.72Å; E385-R388 IonicContact OE2-NH1 3.59Å; E385-R388 PolarHBondContact OE2-NH1 2.88Å; R388-R390 VanDerWaalsContact C-N 3.34Å; R388-R390 PolarHBondContact O-N 3.35Å; R388-A391 PolarHBondContact O-N 2.96Å; R388-Q392 VanDerWaalsContact O-CB 3.3Å; R388-Q392 WeakPolarHBondContact O-CB 3.33Å; R388-Q392 PolarHBondContact O-N 2.87Å; R388-F404 HydrophobicContact CB-CD2 4.5Å; R388-F404 HydrophobicContact CB-CE2 4.11Å; R388-F404 HydrophobicContact CB-CZ 4.33Å; R388-F404 HydrophobicContact CG-CD1 4.15Å; R388-F404 HydrophobicContact CG-CD2 3.95Å; R388-F404 HydrophobicContact CG-CE1 4.19Å; R388-F404 HydrophobicContact CG-CE2 3.95Å; R388-F404 HydrophobicContact CG-CG 4.05Å; R388-F404 HydrophobicContact CG-CZ 4.09Å
389Q97Very high93.8Very high106 Ų10676.9 Ų76.950%0.49537%0.373SS..Hα-helixtrans-59.8-43.3179.7-73.5174.85.200111.9E385 Q392 A393E385-Q389 WeakPolarHBondContact O-CB 3.4Å; E385-Q389 VanDerWaalsContact O-CG 3.28Å; E385-Q389 WeakPolarHBondContact O-CG 3.5Å; E385-Q389 PolarHBondContact O-N 3.34Å; E385-Q389 WeakPolarHBondContact OE1-CG 3.04Å; E385-Q389 PolarHBondContact OE1-NE2 3.32Å; Q389-Q392 PolarHBondContact O-N 2.98Å; Q389-A393 WeakPolarHBondContact O-CB 3.47Å; Q389-A393 PolarHBondContact O-N 3.13Å
390R95.9Very high94.2Very high118 Ų11875 Ų7545%0.44536%0.361SS..Hα-helixtrans-63.5-45.7175.6-71.9178.770.8-168.22.2112.1L371 R386 L387 R388 Q392 A393 L394L371-R390 HydrophobicContact CD1-CB 4.11Å; L371-R390 HydrophobicContact CD2-CB 4.28Å; R386-R390 WeakPolarHBondContact O-CG 3.49Å; R386-R390 PolarHBondContact O-N 3Å; R386-R390 VanDerWaalsContact O-N 3.13Å; L387-R390 PolarHBondContact O-N 3.46Å; R388-R390 VanDerWaalsContact C-N 3.34Å; R388-R390 PolarHBondContact O-N 3.35Å; R390-Q392 VanDerWaalsContact C-N 3.34Å; R390-A393 PolarHBondContact O-N 3Å; R390-L394 WeakPolarHBondContact O-CB 3.33Å; R390-L394 PolarHBondContact O-N 3.44Å; R390-L394 VanDerWaalsContact O-N 3.07Å
391A95.1Very high94.4Very high0 Ų076.7 Ų76.70%037%0.37CS..Hα-helixtrans-61.6-44.5178.300000111.2L371 L372 L387 R388 L394 A395 F404L371-A391 HydrophobicContact CB-CB 3.84Å; L371-A391 HydrophobicContact CD1-CB 4.29Å; L372-A391 HydrophobicContact CD2-CB 4.36Å; L387-A391 WeakPolarHBondContact O-CB 3.42Å; L387-A391 PolarHBondContact O-N 3.35Å; R388-A391 PolarHBondContact O-N 2.96Å; A391-L394 PolarHBondContact O-N 3.35Å; A391-A395 VanDerWaalsContact O-CB 3.26Å; A391-A395 WeakPolarHBondContact O-CB 3.44Å; A391-A395 PolarHBondContact O-N 3.11Å; A391-F404 HydrophobicContact CB-CD2 3.89Å; A391-F404 HydrophobicContact CB-CE2 4.04Å
392Q95.3Very high94.5Very high74 Ų7471.6 Ų71.635%0.34635%0.347SS..Hα-helixtrans-63.1-47.7177.7-174.3-178.412.500111.7R388 Q389 R390 L394 A395 V396 F404 T405R388-Q392 VanDerWaalsContact O-CB 3.3Å; R388-Q392 WeakPolarHBondContact O-CB 3.33Å; R388-Q392 PolarHBondContact O-N 2.87Å; Q389-Q392 PolarHBondContact O-N 2.98Å; R390-Q392 VanDerWaalsContact C-N 3.34Å; Q392-L394 VanDerWaalsContact C-N 3.32Å; Q392-L394 PolarHBondContact O-N 3.29Å; Q392-A395 PolarHBondContact O-N 3.4Å; Q392-V396 HydrophobicContact CG-CG2 4.47Å; Q392-V396 VanDerWaalsContact O-CG2 3.31Å; Q392-V396 WeakPolarHBondContact O-CG2 3.43Å; Q392-V396 PolarHBondContact O-N 2.79Å; Q392-F404 HydrophobicContact CB-CB 4.22Å; Q392-F404 HydrophobicContact CG-CB 4.48Å; Q392-T405 HydrophobicContact CG-CG2 4.38Å
393A96.2Very high94.2Very high63 Ų6372.7 Ų72.752%0.52136%0.355SS..Hα-helixtrans-58.9-44.3178.700000111.7Q389 R390 V396 S397Q389-A393 WeakPolarHBondContact O-CB 3.47Å; Q389-A393 PolarHBondContact O-N 3.13Å; R390-A393 PolarHBondContact O-N 3Å; A393-V396 PolarHBondContact O-N 2.99Å; A393-S397 WeakPolarHBondContact O-CB 3.11Å; A393-S397 PolarHBondContact O-N 2.93Å
394L93.9Very high94.1Very high25 Ų2570.5 Ų70.513%0.13134%0.344CS..Hα-helixtrans-66.3-44.9177.4-166.465.7000111.6W363 S364 T367 T368 L371 R390 A391 Q392 V396 S397 Y398W363-L394 HydrophobicContact CH2-CD1 4.37Å; W363-L394 HydrophobicContact CZ3-CD1 4.25Å; S364-L394 WeakPolarHBondContact O-CD2 3.25Å; T367-L394 HydrophobicContact CG2-CD2 3.57Å; T368-L394 WeakPolarHBondContact OG1-CD2 3.44Å; L371-L394 HydrophobicContact CD1-CD2 4.41Å; R390-L394 WeakPolarHBondContact O-CB 3.33Å; R390-L394 PolarHBondContact O-N 3.44Å; R390-L394 VanDerWaalsContact O-N 3.07Å; A391-L394 PolarHBondContact O-N 3.35Å; Q392-L394 VanDerWaalsContact C-N 3.32Å; Q392-L394 PolarHBondContact O-N 3.29Å; L394-V396 VanDerWaalsContact C-N 3.34Å; L394-V396 PolarHBondContact O-N 3.37Å; L394-S397 PolarHBondContact O-N 2.85Å; L394-Y398 HydrophobicContact CD1-CD2 3.67Å; L394-Y398 HydrophobicContact CD1-CE2 3.52Å; L394-Y398 HydrophobicContact CG-CD2 4.17Å; L394-Y398 HydrophobicContact CG-CE2 4.48Å; L394-Y398 WeakPolarHBondContact O-CD2 3.19Å; L394-Y398 PolarHBondContact O-N 2.83Å
395A93.8Very high94Very high0 Ų071.1 Ų71.10%035%0.349CS..Hα-helixtrans-61-40.7177.600000112.3A391 Q392 R399 F400 T402 T405A391-A395 VanDerWaalsContact O-CB 3.26Å; A391-A395 WeakPolarHBondContact O-CB 3.44Å; A391-A395 PolarHBondContact O-N 3.11Å; Q392-A395 PolarHBondContact O-N 3.4Å; A395-R399 CarbonylContact O-C 3.54Å; A395-R399 WeakPolarHBondContact O-CA 3.21Å; A395-R399 PolarHBondContact O-N 2.89Å; A395-F400 HydrophobicContact CB-CB 4.18Å; A395-F400 PolarHBondContact O-N 3.34Å; A395-T402 HydrophobicContact CB-CG2 3.69Å; A395-T405 HydrophobicContact CB-CG2 3.71Å
396V93.8Very high93.8Very high94 Ų9472.1 Ų72.157%0.5736%0.364SS*.Hα-helixtrans-65.8-46.8174.81720000111Q392 A393 L394 Y398 R399 T405Q392-V396 HydrophobicContact CG-CG2 4.47Å; Q392-V396 VanDerWaalsContact O-CG2 3.31Å; Q392-V396 WeakPolarHBondContact O-CG2 3.43Å; Q392-V396 PolarHBondContact O-N 2.79Å; A393-V396 PolarHBondContact O-N 2.99Å; L394-V396 VanDerWaalsContact C-N 3.34Å; L394-V396 PolarHBondContact O-N 3.37Å; V396-Y398 VanDerWaalsContact C-N 3.27Å; V396-Y398 PolarHBondContact O-N 2.81Å; V396-R399 PolarHBondContact O-N 2.86Å; V396-T405 HydrophobicContact CG2-CG2 3.93Å
397S93.8Very high93.5Very high86 Ų8672.6 Ų72.660%0.60137%0.374SS*.Hα-helixtrans-58.4-38.1-179.9-172.80000112.8A393 L394A393-S397 WeakPolarHBondContact O-CB 3.11Å; A393-S397 PolarHBondContact O-N 2.93Å; L394-S397 PolarHBondContact O-N 2.85Å
398Y91.3Very high93Very high42 Ų4280.8 Ų80.817%0.16541%0.409CS..THydrogen-bonded Turntrans-104.89-177.4-68.9-82.7000113.8E360 R361 W363 S364 L394 V396 F400E360-Y398 HydrophobicContact CG-CE1 3.7Å; E360-Y398 PolarHBondContact OE1-OH 2.86Å; R361-Y398 PolarHBondContact NH1-O 2.89Å; W363-Y398 HydrophobicContact CZ3-CE2 4.19Å; S364-Y398 WeakPolarHBondContact OG-CD1 3.37Å; L394-Y398 HydrophobicContact CD1-CD2 3.67Å; L394-Y398 HydrophobicContact CD1-CE2 3.52Å; L394-Y398 HydrophobicContact CG-CD2 4.17Å; L394-Y398 HydrophobicContact CG-CE2 4.48Å; L394-Y398 WeakPolarHBondContact O-CD2 3.19Å; L394-Y398 PolarHBondContact O-N 2.83Å; V396-Y398 VanDerWaalsContact C-N 3.27Å; V396-Y398 PolarHBondContact O-N 2.81Å; Y398-F400 HydrophobicContact CG-CE2 4.47Å; Y398-F400 PolarHBondContact O-N 2.8Å
399R92.8Very high92.5Very high224 Ų22484 Ų8485%0.84543%0.433SS*.THydrogen-bonded Turntrans57.243.6175.8-49.9175.8-173.1172.90.9113.2A395 V396A395-R399 CarbonylContact O-C 3.54Å; A395-R399 WeakPolarHBondContact O-CA 3.21Å; A395-R399 PolarHBondContact O-N 2.89Å; V396-R399 PolarHBondContact O-N 2.86Å
400F92.9Very high91.7Very high27 Ų2791 Ų9112%0.11846%0.455CS..  trans-88.2135.8172.1-64.4-51.6000111.3R361 S364 Y365 A395 Y398 T402 T405R361-F400 HydrophobicContact CG-CE1 4.34Å; R361-F400 HydrophobicContact CG-CZ 3.99Å; R361-F400 VanDerWaalsContact CZ-CE1 3.49Å; S364-F400 WeakPolarHBondContact OG-CE2 3.47Å; Y365-F400 HydrophobicContact CD2-CE1 4.29Å; Y365-F400 HydrophobicContact CD2-CZ 4.4Å; A395-F400 HydrophobicContact CB-CB 4.18Å; A395-F400 PolarHBondContact O-N 3.34Å; Y398-F400 HydrophobicContact CG-CE2 4.47Å; Y398-F400 PolarHBondContact O-N 2.8Å; F400-T402 HydrophobicContact CB-CG2 3.83Å; F400-T405 PolarHBondContact O-OG1 2.78Å
401L93.4Very high90.6Very high121 Ų12187.8 Ų87.863%0.63446%0.458SS*.  trans-82.9119.6163.5-171.966.1000108.1T405L401-T405 WeakPolarHBondContact CA-OG1 3.44Å
402T92.3Very high88.9Confident21 Ų2194 Ų9413%0.12950%0.499CS..  trans-138.5169.1-175.568.30000108.5T368 A395 F400 F404 T405T368-T402 HydrophobicContact CG2-CG2 4Å; A395-T402 HydrophobicContact CB-CG2 3.69Å; F400-T402 HydrophobicContact CB-CG2 3.83Å; T402-F404 PolarHBondContact O-N 3.02Å; T402-F404 PolarHBondContact OG1-N 2.78Å; T402-T405 PolarHBondContact N-OG1 3.45Å; T402-T405 PolarHBondContact O-N 3.5Å; T402-T405 PolarHBondContact O-OG1 2.7Å; T402-T405 PolarHBondContact OG1-N 2.8Å; T402-T405 PolarHBondContact OG1-OG1 3Å
403P89.3Confident87.1Confident113 Ų11396.4 Ų96.473%0.73452%0.518SS*.THydrogen-bonded Turntrans-56-15.3173.7-27.236.6000115.1
404F91.3Very high85.2Confident32 Ų3298.4 Ų98.414%0.1453%0.525CS..THydrogen-bonded Turntrans-107.33.3179.4-52.7-33.8000114.3L372 W375 R388 A391 Q392 T402L372-F404 HydrophobicContact CD2-CD2 3.67Å; L372-F404 HydrophobicContact CD2-CE2 3.27Å; L372-F404 HydrophobicContact CD2-CZ 3.85Å; W375-F404 HydrophobicContact CD2-CE1 4.44Å; W375-F404 AromaticContact CD2-CZ 3.63Å; W375-F404 HydrophobicContact CD2-CZ 3.63Å; W375-F404 AromaticContact CE2-CZ 3.76Å; W375-F404 AromaticContact CE3-CZ 3.92Å; W375-F404 HydrophobicContact CE3-CZ 3.92Å; W375-F404 HydrophobicContact CG-CE2 4.47Å; W375-F404 AromaticContact CG-CZ 3.97Å; W375-F404 HydrophobicContact CG-CZ 3.97Å; W375-F404 HydrophobicContact CH2-CE1 4.35Å; W375-F404 HydrophobicContact CH2-CZ 4.42Å; W375-F404 HydrophobicContact CZ2-CE1 4.19Å; W375-F404 HydrophobicContact CZ2-CZ 4.17Å; W375-F404 HydrophobicContact CZ3-CZ 4.31Å; R388-F404 HydrophobicContact CB-CD2 4.5Å; R388-F404 HydrophobicContact CB-CE2 4.11Å; R388-F404 HydrophobicContact CB-CZ 4.33Å; R388-F404 HydrophobicContact CG-CD1 4.15Å; R388-F404 HydrophobicContact CG-CD2 3.95Å; R388-F404 HydrophobicContact CG-CE1 4.19Å; R388-F404 HydrophobicContact CG-CE2 3.95Å; R388-F404 HydrophobicContact CG-CG 4.05Å; R388-F404 HydrophobicContact CG-CZ 4.09Å; A391-F404 HydrophobicContact CB-CD2 3.89Å; A391-F404 HydrophobicContact CB-CE2 4.04Å; Q392-F404 HydrophobicContact CB-CB 4.22Å; Q392-F404 HydrophobicContact CG-CB 4.48Å; T402-F404 PolarHBondContact O-N 3.02Å; T402-F404 PolarHBondContact OG1-N 2.78Å
405T92.6Very high83.1Confident29 Ų29108.5 Ų108.518%0.17856%0.562CS.*  trans-128.7156.9179.155.90000110.6Q392 A395 V396 F400 L401 T402Q392-T405 HydrophobicContact CG-CG2 4.38Å; A395-T405 HydrophobicContact CB-CG2 3.71Å; V396-T405 HydrophobicContact CG2-CG2 3.93Å; F400-T405 PolarHBondContact O-OG1 2.78Å; L401-T405 WeakPolarHBondContact CA-OG1 3.44Å; T402-T405 PolarHBondContact N-OG1 3.45Å; T402-T405 PolarHBondContact O-N 3.5Å; T402-T405 PolarHBondContact O-OG1 2.7Å; T402-T405 PolarHBondContact OG1-N 2.8Å; T402-T405 PolarHBondContact OG1-OG1 3Å
406S91.2Very high80.9Confident93 Ų93114.8 Ų114.865%0.6559%0.593SS**  trans-137.9150.6175.559.20000110.2
407M89.4Confident78.5Confident149 Ų149117.4 Ų117.473%0.73460%0.604SS**  trans-107.9119.5175.8-167-178-51.200108.7
408K86.5Confident76.4Confident180 Ų180117 Ų11778%0.78361%0.614SS**  trans-108.3122.2178.8-66-174.6179.3-176.70109.6
409L85.8Confident73.8Confident168 Ų168121 Ų12188%0.8864%0.637SS**  trans-79.6132.7169.2-125.5101.4000109.2
410R79.9Confident71.4Confident253 Ų253118.9 Ų118.996%0.95564%0.637SS**  trans-103.7108.4170.2-71.9-173.8-176.1-177.31.7108.9
411G72.5Confident68.5Low49 Ų49125.8 Ų125.851%0.50567%0.669SS.*SBendtrans179.6164.7177.200000111.1V413G411-V413 PolarHBondContact O-N 2.88Å
412P58.6Low65.7Low132 Ų132124.1 Ų124.186%0.85767%0.673SS**  trans-64.6111.7176.725.7-30.3000109P414P412-P414 WeakPolarHBondContact O-CD 3.29Å
413V58.3Low63Low124 Ų124130.6 Ų130.675%0.75270%0.702SS**  trans-65.9119.3171.8-174.70000106.4G411 R415G411-V413 PolarHBondContact O-N 2.88Å; V413-R415 PolarHBondContact O-N 3.17Å
414P55.3Low60.1Low104 Ų104128.3 Ų128.368%0.67570%0.699SS**  trans-57.1136.3169.5-1528000107.5P412 M416P412-P414 WeakPolarHBondContact O-CD 3.29Å; P414-M416 PolarHBondContact O-N 3.15Å
415R50.1Low57.1Low237 Ų237135.4 Ų135.489%0.89473%0.734SS**  trans-53.1107.5172.4-79.6-176.5175173.7-2108.2V413 D417V413-R415 PolarHBondContact O-N 3.17Å; R415-D417 VanDerWaalsContact C-N 3.3Å; R415-D417 PolarHBondContact O-N 2.79Å; R415-D417 VanDerWaalsContact O-N 3.15Å
416M48.8Very low54.2Low132 Ų132138.8 Ų138.865%0.6576%0.759SS**  trans-81.584.5169.5-82.8-179.439.200107.3P414 G418 L419P414-M416 PolarHBondContact O-N 3.15Å; M416-G418 PolarHBondContact O-N 2.86Å; M416-L419 HydrophobicContact CE-CB 3.9Å; M416-L419 HydrophobicContact CE-CD1 3.41Å; M416-L419 VanDerWaalsContact CE-CD1 3.41Å; M416-L419 HydrophobicContact CE-CG 4.23Å; M416-L419 HydrophobicContact CG-CD1 4.12Å; M416-L419 HydrophobicContact SD-CD1 3.91Å
417D43.3Very low51.2Low149 Ų149138.5 Ų138.580%0.79776%0.763SS**  trans-69.2116.3158.3-77.3-32.2000107.3R415R415-D417 VanDerWaalsContact C-N 3.3Å; R415-D417 PolarHBondContact O-N 2.79Å; R415-D417 VanDerWaalsContact O-N 3.15Å
418G49Very low48.4Very low79 Ų79134.4 Ų134.481%0.81475%0.752SS**  trans55.171.4163.500000116.4M416M416-G418 PolarHBondContact O-N 2.86Å
419L37.4Very low45.9Very low124 Ų124131.7 Ų131.765%0.64974%0.744SS**  trans-94.9113.9149.5-86.6151.5000106.4M416M416-L419 HydrophobicContact CE-CB 3.9Å; M416-L419 HydrophobicContact CE-CD1 3.41Å; M416-L419 VanDerWaalsContact CE-CD1 3.41Å; M416-L419 HydrophobicContact CE-CG 4.23Å; M416-L419 HydrophobicContact CG-CD1 4.12Å; M416-L419 HydrophobicContact SD-CD1 3.91Å
420E41.2Very low43.2Very low181 Ų181125.7 Ų125.785%0.84672%0.722SS**  trans-41.7146158.5-71.3-173147.800108.7A422E420-A422 PolarHBondContact O-N 2.91Å
421E33Very low41Very low171 Ų171117.4 Ų117.480%0.79970%0.701SS**  trans-50.392.1172.4-75.1-177.4157.800109H423E421-H423 PolarHBondContact O-N 2.93Å; E421-H423 PolarHBondContact O-ND1 2.65Å
422A33.2Very low39.3Very low86 Ų86120.3 Ų120.371%0.71170%0.702SS**  trans-61.996.6166.400000103.3E420 G424E420-A422 PolarHBondContact O-N 2.91Å; A422-G424 PolarHBondContact O-N 3.5Å
423H35.6Very low38.2Very low158 Ų158118.9 Ų118.973%0.73169%0.693SS**  trans-56.882.6155.2-77.853.4000104E421 M425E421-H423 PolarHBondContact O-N 2.93Å; E421-H423 PolarHBondContact O-ND1 2.65Å; H423-M425 VanDerWaalsContact C-N 3.27Å; H423-M425 PolarHBondContact O-N 3.08Å
424G29.4Very low37.5Very low65 Ų65115.5 Ų115.567%0.6767%0.672SS**  trans-58.4104.3172.600000103.7A422 S426A422-G424 PolarHBondContact O-N 3.5Å; G424-S426 PolarHBondContact O-N 2.9Å
425M28.4Very low36.9Very low181 Ų181113 Ų11389%0.89266%0.655SS**  trans-49.2117.4168.5-67-143.686.500104.6H423 A427H423-M425 VanDerWaalsContact C-N 3.27Å; H423-M425 PolarHBondContact O-N 3.08Å; M425-A427 PolarHBondContact O-N 3.27Å
426S31.5Very low36.7Very low99 Ų99102.3 Ų102.369%0.69262%0.615SS**  trans-43.9118.7168.6-177.40000105.2G424 A428G424-S426 PolarHBondContact O-N 2.9Å; S426-A428 PolarHBondContact O-N 3.37Å
427A28.4Very low36.3Very low88 Ų8899.1 Ų99.173%0.72761%0.606SS**  trans-43.9121179.300000106.4M425 M429M425-A427 PolarHBondContact O-N 3.27Å; A427-M429 PolarHBondContact O-N 3.04Å
428A29.8Very low35.9Very low62 Ų6293.1 Ų93.151%0.51257%0.574SS.*  trans-39.7114.9-171.500000107.8S426 G430S426-A428 PolarHBondContact O-N 3.37Å; A428-G430 PolarHBondContact O-N 3.38Å
429M33.8Very low35.4Very low124 Ų12493.9 Ų93.961%0.61155%0.552SS**  trans-6392.6168.4-77.6-173.469.100103.9A427 E432A427-M429 PolarHBondContact O-N 3.04Å; M429-E432 HydrophobicContact CE-CG 3.64Å; M429-E432 WeakPolarHBondContact CE-OE1 2.99Å
430G28.9Very low35.2Very low41 Ų4188.8 Ų88.842%0.42353%0.53SS..  trans-49.1153.8163.800000107.6A428 E432A428-G430 PolarHBondContact O-N 3.38Å; G430-E432 PolarHBondContact O-N 3.33Å
431P34.4Very low34.6Very low80 Ų8081.3 Ų81.352%0.51950%0.499SS..  trans-49.6107.1-177.620.8-31.9000108.5I45I45-P431 HydrophobicContact CG2-CG 4.43Å
432E35.8Very low34.3Very low109 Ų10977.4 Ų77.451%0.50951%0.505SS..  trans-60.9135.6177.8-81.2-163.2147.900106M429 G430 V434M429-E432 HydrophobicContact CE-CG 3.64Å; M429-E432 WeakPolarHBondContact CE-OE1 2.99Å; G430-E432 PolarHBondContact O-N 3.33Å; E432-V434 PolarHBondContact O-N 2.82Å
433P35.7Very low34Very low103 Ų10377.6 Ų77.667%0.66950%0.497SS*.  trans-52.2133.7169.122.1-30.4000107.7V435P433-V435 HydrophobicContact CB-CG2 4.12Å; P433-V435 HydrophobicContact CG-CG2 4.13Å; P433-V435 PolarHBondContact O-N 3.27Å
434V44.8Very low33.5Very low52 Ų5278.3 Ų78.332%0.31550%0.501SS..  trans-71.778.7-179.7-174.80000107.9E263 S296 E297 E432E263-V434 HydrophobicContact CB-CG1 4.05Å; E263-V434 HydrophobicContact CG-CG1 4.04Å; E263-V434 HydrophobicContact CG-CG2 3.82Å; S296-V434 WeakPolarHBondContact CA-O 3.26Å; S296-V434 WeakPolarHBondContact CB-O 2.96Å; E297-V434 PolarHBondContact N-O 3.28Å; E297-V434 VanDerWaalsContact N-O 3.13Å; E432-V434 PolarHBondContact O-N 2.82Å
435V42.3Very low33.2Very low53 Ų5380.8 Ų80.832%0.32151%0.505SS..BIsolated β-bridgetrans-89.1116.8176.2-176.10000107.1I299 P433 S437I299-V435 HydrophobicContact CB-CG1 4.41Å; I299-V435 HydrophobicContact CD1-CB 4.47Å; I299-V435 HydrophobicContact CD1-CG1 3.7Å; I299-V435 HydrophobicContact CD1-CG2 3.87Å; I299-V435 HydrophobicContact CG1-CG1 3.93Å; P433-V435 HydrophobicContact CB-CG2 4.12Å; P433-V435 HydrophobicContact CG-CG2 4.13Å; P433-V435 PolarHBondContact O-N 3.27Å; V435-S437 VanDerWaalsContact C-N 3.26Å; V435-S437 PolarHBondContact O-N 2.88Å
436Q46.1Very low33.1Very low11 Ų1174.7 Ų74.75%0.05149%0.489CS..  trans-73.584.2172.8-76.3-172.3-23.200110.3N291 S296 E297 I298 V438N291-Q436 PolarHBondContact O-NE2 3.4Å; N291-Q436 PolarHBondContact O-OE1 2.62Å; S296-Q436 WeakPolarHBondContact OG-CG 3.17Å; S296-Q436 PolarHBondContact OG-NE2 3.5Å; E297-Q436 PolarHBondContact O-N 2.87Å; I298-Q436 HydrophobicContact CG1-CB 4.25Å; Q436-V438 PolarHBondContact O-N 3.09Å
437S39.5Very low32.8Very low66 Ų6676.1 Ų76.146%0.46250%0.496SS..  trans-93.655.9161.4-1610000109.5V435V435-S437 VanDerWaalsContact C-N 3.26Å; V435-S437 PolarHBondContact O-N 2.88Å
438V35.3Very low32.6Very low22 Ų2279.1 Ų79.113%0.13350%0.499CS..  trans-106.9115.7-173.6179.10000109.5C241 K286 Q436C241-V438 HydrophobicContact CB-CG1 4.24Å; C241-V438 WeakPolarHBondContact O-CG1 3.18Å; K286-V438 PolarHBondContact NZ-O 2.84Å; Q436-V438 PolarHBondContact O-N 3.09Å
439R39.3Very low32.7Very low95 Ų9581.9 Ų81.936%0.35850%0.504SS..PPolyproline II helixtrans-81.7132.6-170-146.4179.8-167176.48.5112.8C241 K286 S374C241-R439 WeakPolarHBondContact CA-O 3.08Å; C241-R439 WeakPolarHBondContact CB-O 3.21Å; C241-R439 PolarHBondContact N-O 3.02Å; K286-R439 HydrophobicContact CD-CB 4.42Å; K286-R439 HydrophobicContact CD-CG 3.76Å; K286-R439 VanDerWaalsContact CE-CA 3.46Å; S374-R439 PolarHBondContact OG-NH1 2.85Å; S374-R439 PolarHBondContact OG-NH2 3.41Å
440G31.9Very low32.5Very low17 Ų1785.4 Ų85.418%0.17552%0.516CS..PPolyproline II helixtrans-76.5137.8167.600000110.9P290P290-G440 VanDerWaalsContact CG-CA 3.43Å
441A29.1Very low32.4Very low25 Ų2592.1 Ų92.121%0.20753%0.534CS..PPolyproline II helixtrans-58.2139.916500000109T443A441-T443 VanDerWaalsContact C-N 3.29Å; A441-T443 PolarHBondContact O-N 2.69Å; A441-T443 PolarHBondContact O-OG1 3.21Å; A441-T443 VanDerWaalsContact O-OG1 3.04Å
442G27.2Very low32.2Very low89 Ų8990.7 Ų90.792%0.91853%0.525SS*.  trans-59.192.7173.800000109.9
443T25.8Very low31.9Very low89 Ų8994.6 Ų94.655%0.54654%0.536SS..  trans-91.6129.7177.4-41.90000106.5A441A441-T443 VanDerWaalsContact C-N 3.29Å; A441-T443 PolarHBondContact O-N 2.69Å; A441-T443 PolarHBondContact O-OG1 3.21Å; A441-T443 VanDerWaalsContact O-OG1 3.04Å
444Q25.4Very low31.6Very low174 Ų17497.9 Ų97.981%0.81354%0.542SS*.  trans-54.5143.2167.5-73.8-160.8-1100109.2G446Q444-G446 PolarHBondContact O-N 2.98Å
445P23.1Very low31.1Very low116 Ų11697.8 Ų97.875%0.75354%0.543SS*.  trans-56.4114.5-179.221.3-30.4000109
446G27.9Very low30.7Very low53 Ų53106.9 Ų106.955%0.54657%0.572SS.*  trans-52.5154.3156.900000108.9Q444 L448Q444-G446 PolarHBondContact O-N 2.98Å; G446-L448 PolarHBondContact O-N 3.3Å; G446-L448 VanDerWaalsContact O-N 3.1Å
447P23.7Very low30.6Very low130 Ų130109.1 Ų109.184%0.84458%0.583SS**SBendtrans-47.7125.5-172.619.1-31.3000109.6L449P447-L449 PolarHBondContact O-N 2.85Å
448L24.3Very low31Very low150 Ų150115.1 Ų115.179%0.78560%0.601SS**  trans-42.1112.9174.4-93.6117.4000107.8G446 K450G446-L448 PolarHBondContact O-N 3.3Å; G446-L448 VanDerWaalsContact O-N 3.1Å; L448-K450 PolarHBondContact O-N 3.28Å
449L33.3Very low32Very low121 Ų121116.7 Ų116.763%0.63461%0.608SS**  trans-50.7114.1155.1-85.6160.4000104.2P447 K451P447-L449 PolarHBondContact O-N 2.85Å; L449-K451 PolarHBondContact O-N 2.88Å
450K28.8Very low33.1Very low198 Ų198114 Ų11486%0.86160%0.604SS**  trans-44.8123179.3-79.8179.8175.7178.30106.2L448L448-K450 PolarHBondContact O-N 3.28Å
451K26.2Very low34.8Very low181 Ų181117 Ų11779%0.78761%0.612SS**  trans-40.1131.2174.1-93-179.4171.5-179.80107.5L449 Y453L449-K451 PolarHBondContact O-N 2.88Å; K451-Y453 PolarHBondContact O-N 3.48Å
452P30.3Very low37.5Very low51 Ų51116.1 Ų116.133%0.33160%0.604SS.*  trans-51.4120.2173.919.7-29.1000106.4I326 Q454I326-P452 HydrophobicContact CD1-CG 4.06Å; P452-Q454 PolarHBondContact O-N 3.27Å; P452-Q454 VanDerWaalsContact O-N 3.09Å
453Y30.7Very low40.6Very low190 Ų190111.9 Ų111.975%0.74556%0.561SS**  trans-50.7122.5168.8-177.6-121.4000104.5K451 P455K451-Y453 PolarHBondContact O-N 3.48Å; Y453-P455 HydrophobicContact CD1-CB 3.75Å; Y453-P455 VanDerWaalsContact CD1-CD 3.48Å; Y453-P455 HydrophobicContact CD1-CG 3.86Å; Y453-P455 HydrophobicContact CE1-CB 3.5Å; Y453-P455 VanDerWaalsContact CE1-CB 3.5Å; Y453-P455 HydrophobicContact CE1-CG 4.14Å; Y453-P455 WeakPolarHBondContact O-CD 3.48Å
454Q29.4Very low43.6Very low172 Ų172107.7 Ų107.780%0.80454%0.535SS*.  trans-87.785.8162.3-80.9-173.5-24.300104.9P452 R456P452-Q454 PolarHBondContact O-N 3.27Å; P452-Q454 VanDerWaalsContact O-N 3.09Å; Q454-R456 PolarHBondContact O-N 3.26Å; Q454-R456 VanDerWaalsContact O-N 3.11Å
455P33Very low46.6Very low50 Ų50100.4 Ų100.433%0.32550%0.501SS..  trans-57.6124.4164.720.8-24.8000105.7Y453 I457Y453-P455 HydrophobicContact CD1-CB 3.75Å; Y453-P455 VanDerWaalsContact CD1-CD 3.48Å; Y453-P455 HydrophobicContact CD1-CG 3.86Å; Y453-P455 HydrophobicContact CE1-CB 3.5Å; Y453-P455 VanDerWaalsContact CE1-CB 3.5Å; Y453-P455 HydrophobicContact CE1-CG 4.14Å; Y453-P455 WeakPolarHBondContact O-CD 3.48Å; P455-I457 HydrophobicContact CB-CG1 3.86Å; P455-I457 HydrophobicContact CG-CD1 4.37Å; P455-I457 HydrophobicContact CG-CG1 3.71Å; P455-I457 PolarHBondContact O-N 2.76Å
456R34.6Very low49.4Very low245 Ų24595.8 Ų95.893%0.92548%0.475SS*.  trans-62.290.2147.1-76.4-177.9175.1166.7-1.9104.4Q454 K458Q454-R456 PolarHBondContact O-N 3.26Å; Q454-R456 VanDerWaalsContact O-N 3.11Å; R456-K458 PolarHBondContact O-N 3.42Å
457I43.7Very low51.7Low57 Ų5793.7 Ų93.729%0.29245%0.451SS..  trans-62.3104.9-178.8-59.1170.4000105.5P455 I459 T583 V593 A615P455-I457 HydrophobicContact CB-CG1 3.86Å; P455-I457 HydrophobicContact CG-CD1 4.37Å; P455-I457 HydrophobicContact CG-CG1 3.71Å; P455-I457 PolarHBondContact O-N 2.76Å; I457-I459 VanDerWaalsContact C-N 3.28Å; I457-I459 HydrophobicContact CG2-CG1 4.13Å; I457-I459 PolarHBondContact O-N 2.95Å; I457-T583 HydrophobicContact CD1-CG2 3.45Å; I457-T583 VanDerWaalsContact CD1-CG2 3.45Å; I457-V593 HydrophobicContact CD1-CG2 4.18Å; I457-V593 HydrophobicContact CG2-CG2 3.9Å; I457-A615 HydrophobicContact CG2-CB 3.48Å; I457-A615 VanDerWaalsContact CG2-CB 3.48Å
458K48.9Very low54.2Low193 Ų19387.5 Ų87.584%0.83941%0.411SS*.  trans-68.997.4162.8-80.1-176.6175.2-178.20105R456 S460R456-K458 PolarHBondContact O-N 3.42Å; K458-S460 PolarHBondContact O-N 2.83Å
459I55.4Low57.1Low55 Ų5583.2 Ų83.228%0.28239%0.387SS..  trans-67.3125.1-179.5-47.8171.2000106.9I457 V593 Y613 Y682I457-I459 VanDerWaalsContact C-N 3.28Å; I457-I459 HydrophobicContact CG2-CG1 4.13Å; I457-I459 PolarHBondContact O-N 2.95Å; I459-V593 HydrophobicContact CD1-CG1 4.38Å; I459-Y613 HydrophobicContact CG2-CD1 3.8Å; I459-Y613 HydrophobicContact CG2-CG 3.94Å; I459-Y682 HydrophobicContact CB-CE1 4.01Å; I459-Y682 WeakPolarHBondContact CB-OH 3.46Å; I459-Y682 HydrophobicContact CD1-CD1 4.18Å; I459-Y682 HydrophobicContact CD1-CE1 3.59Å; I459-Y682 HydrophobicContact CG1-CE1 4.41Å; I459-Y682 HydrophobicContact CG2-CE1 3.74Å; I459-Y682 WeakPolarHBondContact CG2-OH 3.3Å
460S61.9Low59.8Low39 Ų3977.5 Ų77.527%0.27336%0.357SS..  trans-68.8157.5175.3100.20000110.1K458 T462 I614 Y682K458-S460 PolarHBondContact O-N 2.83Å; S460-T462 PolarHBondContact O-N 3.1Å; S460-T462 PolarHBondContact OG-N 3.32Å; S460-I614 WeakPolarHBondContact CB-O 3.4Å; S460-I614 PolarHBondContact OG-O 3.01Å; S460-Y682 PolarHBondContact O-OH 3.42Å
461K68.4Low62.7Low79 Ų7968.3 Ų68.334%0.34332%0.317SS..SBendtrans-70.8-17.9178.3-67.6175.4-176.1174.10113.1S463 V471 D473 T480 I688K461-S463 PolarHBondContact O-N 2.97Å; K461-S463 PolarHBondContact O-OG 3.29Å; K461-S463 VanDerWaalsContact O-OG 3.05Å; K461-V471 WeakPolarHBondContact O-CG1 3.36Å; K461-D473 HydrophobicContact CB-CB 3.78Å; K461-D473 HydrophobicContact CD-CB 4.34Å; K461-D473 WeakPolarHBondContact CD-OD1 3.49Å; K461-D473 IonicContact NZ-OD1 2.69Å; K461-T480 HydrophobicContact CD-CG2 4.48Å; K461-T480 PolarHBondContact NZ-OG1 3.36Å; K461-I688 HydrophobicContact CB-CD1 4.38Å; K461-I688 HydrophobicContact CD-CD1 4.31Å; K461-I688 HydrophobicContact CG-CD1 3.95Å
462T86Confident65.7Low6 Ų659.8 Ų59.84%0.03728%0.28CS..  trans-73.5110.3-177.1-600000110.9S460 V471 D473 I614 L628 L632S460-T462 PolarHBondContact O-N 3.1Å; S460-T462 PolarHBondContact OG-N 3.32Å; T462-V471 CarbonylContact C-O 3.56Å; T462-V471 VanDerWaalsContact CA-O 3.25Å; T462-V471 WeakPolarHBondContact CA-O 3.31Å; T462-D473 PolarHBondContact OG1-N 2.77Å; T462-D473 VanDerWaalsContact OG1-N 3.1Å; T462-I614 HydrophobicContact CG2-CD1 4.18Å; T462-I614 PolarHBondContact O-N 3.34Å; T462-I614 VanDerWaalsContact O-N 3.1Å; T462-L628 HydrophobicContact CG2-CB 4.27Å; T462-L628 HydrophobicContact CG2-CD2 4.04Å; T462-L632 HydrophobicContact CG2-CD2 4.29Å
463S90.7Very high68.4Low1 Ų158.8 Ų58.81%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-160165-165.159.20000114.4K461 F470 V471 F612K461-S463 PolarHBondContact O-N 2.97Å; K461-S463 PolarHBondContact O-OG 3.29Å; K461-S463 VanDerWaalsContact O-OG 3.05Å; S463-F470 WeakPolarHBondContact O-CA 3.1Å; S463-V471 PolarHBondContact N-O 2.83Å; S463-V471 PolarHBondContact O-N 3.42Å; S463-F612 CarbonylContact C-O 3.52Å; S463-F612 WeakPolarHBondContact CA-O 3.47Å; S463-F612 WeakPolarHBondContact CB-O 3.38Å
464V90.8Very high70.9Confident1 Ų149.8 Ų49.81%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-132.3126.9165.855.90000109.7P468 H469 F470 L495 L527 G611 F612 L628V464-P468 HydrophobicContact CG2-CB 3.68Å; V464-H469 WeakPolarHBondContact CA-O 3.31Å; V464-F470 HydrophobicContact CB-CD1 3.77Å; V464-F470 HydrophobicContact CB-CE1 3.73Å; V464-F470 HydrophobicContact CB-CG 4.25Å; V464-F470 HydrophobicContact CB-CZ 4.17Å; V464-F470 HydrophobicContact CG1-CE1 4.34Å; V464-F470 HydrophobicContact CG2-CD1 3.93Å; V464-F470 HydrophobicContact CG2-CD2 4.04Å; V464-F470 HydrophobicContact CG2-CE1 3.63Å; V464-F470 HydrophobicContact CG2-CE2 3.74Å; V464-F470 HydrophobicContact CG2-CG 4.12Å; V464-F470 HydrophobicContact CG2-CZ 3.52Å; V464-L495 HydrophobicContact CG1-CD1 3.94Å; V464-L495 HydrophobicContact CG1-CD2 4.07Å; V464-L527 HydrophobicContact CG1-CD1 3.71Å; V464-L527 HydrophobicContact CG2-CD1 4.19Å; V464-G611 CarbonylContact O-C 3.58Å; V464-G611 WeakPolarHBondContact O-CA 3.33Å; V464-F612 HydrophobicContact CG1-CB 3.8Å; V464-F612 HydrophobicContact CG1-CD1 4.34Å; V464-F612 PolarHBondContact N-O 3.39Å; V464-F612 PolarHBondContact O-N 2.94Å; V464-L628 HydrophobicContact CG1-CD1 4.14Å
465D87.6Confident72.8Confident20 Ų2046 Ų4611%0.10723%0.228CC..EExtended strand (participates in β ladder)trans-153.3162-179.3-158.66.6000112.5D467 H469 H597 H609 G611 Y613D465-D467 PolarHBondContact O-N 3.1Å; D465-H469 PolarHBondContact N-O 3.26Å; D465-H469 WeakPolarHBondContact O-CB 2.91Å; D465-H469 PolarHBondContact O-N 3.41Å; D465-H597 IonicContact OD1-CD2 2.71Å; D465-H597 PolarHBondContact OD1-CD2 3.36Å; D465-H597 IonicContact OD1-CE1 3.02Å; D465-H597 IonicContact OD1-NE2 2.62Å; D465-H597 PolarHBondContact OD1-NE2 2.97Å; D465-H597 IonicContact OD2-CE1 3.62Å; D465-H597 PolarHBondContact OD2-CE1 3.37Å; D465-H597 IonicContact OD2-NE2 3.49Å; D465-H597 PolarHBondContact OD2-NE2 2.97Å; D465-H609 IonicContact OD1-CD2 3.31Å; D465-H609 IonicContact OD1-NE2 3.58Å; D465-G611 WeakPolarHBondContact OD1-CA 3.47Å; D465-Y613 PolarHBondContact OD2-OH 3.31Å
466G82.8Confident74.6Confident20 Ų2050.4 Ų50.421%0.20625%0.248CC..THydrogen-bonded Turntrans65.5-128.6-179.500000113.1Y526G466-Y526 WeakPolarHBondContact O-CD1 3.25Å
467D76.1Confident76.7Confident9 Ų940.6 Ų40.65%0.04822%0.216CC..THydrogen-bonded Turntrans-104.780.3-168.517825.3000115.5D465 K521 R524 T525 Y526D465-D467 PolarHBondContact O-N 3.1Å; D467-K521 PolarHBondContact O-NZ 3.24Å; D467-K521 IonicContact OD1-NZ 2.89Å; D467-K521 WeakPolarHBondContact OD2-CD 3.49Å; D467-K521 IonicContact OD2-NZ 2.89Å; D467-K521 PolarHBondContact OD2-NZ 3.43Å; D467-R524 HydrophobicContact CB-CB 4.4Å; D467-R524 WeakPolarHBondContact OD1-CA 3.44Å; D467-R524 VanDerWaalsContact OD2-CG 3.29Å; D467-R524 WeakPolarHBondContact OD2-CG 3.31Å; D467-R524 IonicContact OD2-NE 3.23Å; D467-T525 VanDerWaalsContact CA-O 3.26Å; D467-T525 WeakPolarHBondContact CA-O 3.41Å; D467-T525 PolarHBondContact OD1-N 3.13Å; D467-T525 PolarHBondContact OD1-OG1 3.5Å; D467-Y526 HydrophobicContact CB-CE1 4.48Å
468P75.1Confident78.4Confident0 Ų048.8 Ų48.80%024%0.244CC..THydrogen-bonded Turn-57.6116.1-87.931-31.5000109.9V464 F470 I485 L510 T525V464-P468 HydrophobicContact CG2-CB 3.68Å; P468-F470 HydrophobicContact CB-CE2 3.86Å; P468-F470 HydrophobicContact CB-CZ 4.46Å; P468-F470 HydrophobicContact CG-CE2 3.99Å; P468-F470 WeakPolarHBondContact O-CD2 3.35Å; P468-I485 WeakPolarHBondContact CD-O 3.3Å; P468-I485 WeakPolarHBondContact CG-O 3.14Å; P468-L510 HydrophobicContact CG-CD2 4.37Å; P468-T525 WeakPolarHBondContact CD-O 3.31Å; P468-T525 VanDerWaalsContact CD-OG1 3.31Å; P468-T525 WeakPolarHBondContact CD-OG1 3.23Å
469H84.9Confident80.2Confident60 Ų6041 Ų4128%0.27821%0.211SC..EExtended strand (participates in β ladder)trans-90.1121.7172.2-67.2-47.2000108.6V464 D465 N484V464-H469 WeakPolarHBondContact CA-O 3.31Å; D465-H469 PolarHBondContact N-O 3.26Å; D465-H469 WeakPolarHBondContact O-CB 2.91Å; D465-H469 PolarHBondContact O-N 3.41Å; H469-N484 PolarHBondContact CE1-OD1 3.13Å; H469-N484 PolarHBondContact ND1-OD1 2.92Å
470F90.7Very high81.7Confident0 Ų038.9 Ų38.90%020%0.201CC..EExtended strand (participates in β ladder)trans-96.3137.2175.6-67-103.9000109S463 V464 P468 C482 F483 I485 L493 L495 L627 L628S463-F470 WeakPolarHBondContact O-CA 3.1Å; V464-F470 HydrophobicContact CB-CD1 3.77Å; V464-F470 HydrophobicContact CB-CE1 3.73Å; V464-F470 HydrophobicContact CB-CG 4.25Å; V464-F470 HydrophobicContact CB-CZ 4.17Å; V464-F470 HydrophobicContact CG1-CE1 4.34Å; V464-F470 HydrophobicContact CG2-CD1 3.93Å; V464-F470 HydrophobicContact CG2-CD2 4.04Å; V464-F470 HydrophobicContact CG2-CE1 3.63Å; V464-F470 HydrophobicContact CG2-CE2 3.74Å; V464-F470 HydrophobicContact CG2-CG 4.12Å; V464-F470 HydrophobicContact CG2-CZ 3.52Å; P468-F470 HydrophobicContact CB-CE2 3.86Å; P468-F470 HydrophobicContact CB-CZ 4.46Å; P468-F470 HydrophobicContact CG-CE2 3.99Å; P468-F470 WeakPolarHBondContact O-CD2 3.35Å; F470-C482 CarbonylContact O-C 3.5Å; F470-C482 WeakPolarHBondContact O-CA 3.42Å; F470-C482 WeakPolarHBondContact O-CB 3.37Å; F470-F483 HydrophobicContact CB-CD1 3.89Å; F470-F483 HydrophobicContact CB-CD2 3.75Å; F470-F483 HydrophobicContact CB-CE1 3.59Å; F470-F483 HydrophobicContact CB-CE2 3.45Å; F470-F483 VanDerWaalsContact CB-CE2 3.45Å; F470-F483 HydrophobicContact CB-CG 3.98Å; F470-F483 HydrophobicContact CB-CZ 3.36Å; F470-F483 AromaticContact CD1-CE2 3.94Å; F470-F483 HydrophobicContact CD1-CE2 3.94Å; F470-F483 AromaticContact CD1-CZ 3.88Å; F470-F483 HydrophobicContact CD1-CZ 3.88Å; F470-F483 HydrophobicContact CD2-CD2 4.08Å; F470-F483 AromaticContact CD2-CE2 3.76Å; F470-F483 HydrophobicContact CD2-CE2 3.76Å; F470-F483 HydrophobicContact CD2-CZ 4.43Å; F470-F483 HydrophobicContact CG-CD2 4.02Å; F470-F483 HydrophobicContact CG-CE1 4.38Å; F470-F483 AromaticContact CG-CE2 3.43Å; F470-F483 HydrophobicContact CG-CE2 3.43Å; F470-F483 VanDerWaalsContact CG-CE2 3.43Å; F470-F483 AromaticContact CG-CZ 3.65Å; F470-F483 HydrophobicContact CG-CZ 3.65Å; F470-F483 PolarHBondContact N-O 3.25Å; F470-F483 PolarHBondContact O-N 2.65Å; F470-I485 HydrophobicContact CD2-CB 4.46Å; F470-I485 HydrophobicContact CD2-CG1 4.07Å; F470-I485 HydrophobicContact CE2-CB 3.78Å; F470-I485 HydrophobicContact CE2-CG1 3.66Å; F470-I485 HydrophobicContact CZ-CB 4.45Å; F470-I485 HydrophobicContact CZ-CG1 4.19Å; F470-L493 HydrophobicContact CZ-CD1 4.17Å; F470-L495 HydrophobicContact CE1-CD2 4.08Å; F470-L495 HydrophobicContact CZ-CD2 4.46Å; F470-L627 HydrophobicContact CD1-CB 4.4Å; F470-L627 HydrophobicContact CE1-CB 3.82Å; F470-L627 HydrophobicContact CE1-CD1 4.01Å; F470-L627 HydrophobicContact CZ-CD1 3.89Å; F470-L628 HydrophobicContact CD1-CD2 3.81Å; F470-L628 HydrophobicContact CD1-CG 4.25Å
471V89.4Confident83.1Confident5 Ų537 Ų373%0.0319%0.188CC..EExtended strand (participates in β ladder)trans-126.4132.4172.6-177.40000107K461 T462 S463 T480 V481 C482 I681K461-V471 WeakPolarHBondContact O-CG1 3.36Å; T462-V471 CarbonylContact C-O 3.56Å; T462-V471 VanDerWaalsContact CA-O 3.25Å; T462-V471 WeakPolarHBondContact CA-O 3.31Å; S463-V471 PolarHBondContact N-O 2.83Å; S463-V471 PolarHBondContact O-N 3.42Å; V471-T480 HydrophobicContact CG1-CG2 3.53Å; V471-V481 WeakPolarHBondContact CA-O 3.47Å; V471-C482 HydrophobicContact CG2-CB 4.37Å; V471-I681 HydrophobicContact CG2-CG2 4.3Å
472V89.3Confident84.2Confident2 Ų233.5 Ų33.51%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-129.9128.9179.7177.30000108F474 T480 V481 F483 L628 F631V472-F474 HydrophobicContact CB-CE2 4.37Å; V472-F474 HydrophobicContact CG1-CD2 4.38Å; V472-F474 HydrophobicContact CG1-CE2 3.75Å; V472-F474 HydrophobicContact CG1-CZ 3.84Å; V472-T480 WeakPolarHBondContact O-CA 3.39Å; V472-V481 PolarHBondContact N-O 3.16Å; V472-V481 PolarHBondContact O-N 3.22Å; V472-F483 HydrophobicContact CG2-CE1 3.84Å; V472-L628 HydrophobicContact CG2-CD2 4.14Å; V472-F631 HydrophobicContact CB-CD2 4.43Å; V472-F631 HydrophobicContact CG1-CB 3.34Å; V472-F631 HydrophobicContact CG1-CD2 3.91Å; V472-F631 HydrophobicContact CG1-CG 3.71Å; V472-F631 HydrophobicContact CG2-CD2 3.75Å; V472-F631 HydrophobicContact CG2-CE2 4.24Å; V472-F631 HydrophobicContact CG2-CG 4.41Å
473D86.1Confident84.4Confident31 Ų3133.2 Ų33.217%0.16617%0.171CC..EExtended strand (participates in β ladder)trans-105.1137.6177.9-159.745.8000110.6K461 T462 P475 T480K461-D473 HydrophobicContact CB-CB 3.78Å; K461-D473 HydrophobicContact CD-CB 4.34Å; K461-D473 WeakPolarHBondContact CD-OD1 3.49Å; K461-D473 IonicContact NZ-OD1 2.69Å; T462-D473 PolarHBondContact OG1-N 2.77Å; T462-D473 VanDerWaalsContact OG1-N 3.1Å; D473-P475 WeakPolarHBondContact O-CD 3.39Å; D473-T480 PolarHBondContact OD1-OG1 2.77Å
474F83.3Confident84.4Confident1 Ų134.4 Ų34.40%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-11387.8176.4-64.8-88.6000107.9V472 L476 S477 R478 L479 V481 F631 Q634 A636 V667V472-F474 HydrophobicContact CB-CE2 4.37Å; V472-F474 HydrophobicContact CG1-CD2 4.38Å; V472-F474 HydrophobicContact CG1-CE2 3.75Å; V472-F474 HydrophobicContact CG1-CZ 3.84Å; F474-L476 VanDerWaalsContact C-N 3.31Å; F474-L476 PolarHBondContact O-N 2.85Å; F474-S477 CarbonylContact O-C 3.54Å; F474-S477 PolarHBondContact O-N 2.73Å; F474-S477 VanDerWaalsContact O-N 3.1Å; F474-R478 PolarHBondContact O-N 3.45Å; F474-L479 PolarHBondContact N-O 3.14Å; F474-L479 PolarHBondContact O-N 3.22Å; F474-V481 HydrophobicContact CD2-CG2 4.09Å; F474-V481 HydrophobicContact CE2-CB 4.08Å; F474-V481 HydrophobicContact CE2-CG2 3.69Å; F474-F631 HydrophobicContact CE1-CB 4.12Å; F474-F631 HydrophobicContact CE1-CD1 4.21Å; F474-F631 HydrophobicContact CZ-CB 4.11Å; F474-F631 AromaticContact CZ-CD1 3.83Å; F474-F631 HydrophobicContact CZ-CD1 3.83Å; F474-F631 HydrophobicContact CZ-CG 4.21Å; F474-Q634 WeakPolarHBondContact CD1-O 3.29Å; F474-Q634 HydrophobicContact CE1-CB 4.21Å; F474-A636 HydrophobicContact CB-CB 4.13Å; F474-A636 HydrophobicContact CD1-CB 3.76Å; F474-A636 HydrophobicContact CD2-CB 3.78Å; F474-A636 HydrophobicContact CE1-CB 4.05Å; F474-A636 HydrophobicContact CE2-CB 4.08Å; F474-A636 HydrophobicContact CG-CB 3.61Å; F474-A636 HydrophobicContact CZ-CB 4.2Å; F474-V667 HydrophobicContact CE1-CG1 4.22Å; F474-V667 HydrophobicContact CE1-CG2 4.5Å; F474-V667 HydrophobicContact CZ-CG1 4.23Å; F474-V667 HydrophobicContact CZ-CG2 4.17Å
475P69.3Low84.2Confident93 Ų9334.3 Ų34.360%0.60418%0.177SC*.THydrogen-bonded Turntrans-62.5-38.6-167.2-22.133000112.8D473 S477 R478D473-P475 WeakPolarHBondContact O-CD 3.39Å; P475-S477 VanDerWaalsContact C-N 3.28Å; P475-S477 PolarHBondContact O-N 2.86Å; P475-R478 PolarHBondContact O-N 3.41Å
476L71.3Confident84.1Confident141 Ų14137.3 Ų37.374%0.73819%0.193SC*.THydrogen-bonded Turntrans-62-36178.6-68176.6000112.3F474 D635F474-L476 VanDerWaalsContact C-N 3.31Å; F474-L476 PolarHBondContact O-N 2.85Å; L476-D635 WeakPolarHBondContact CB-OD1 3.41Å
477S78.6Confident84.3Confident39 Ų3936.6 Ų36.627%0.27319%0.185SC..THydrogen-bonded Turntrans-98.5-5.4-177.6-59.50000113.2F474 P475 L479 D635 A636F474-S477 CarbonylContact O-C 3.54Å; F474-S477 PolarHBondContact O-N 2.73Å; F474-S477 VanDerWaalsContact O-N 3.1Å; P475-S477 VanDerWaalsContact C-N 3.28Å; P475-S477 PolarHBondContact O-N 2.86Å; S477-L479 PolarHBondContact O-N 3.39Å; S477-D635 PolarHBondContact OG-OD1 2.85Å; S477-D635 VanDerWaalsContact OG-OD1 3.09Å; S477-A636 WeakPolarHBondContact CB-O 3.5Å; S477-A636 PolarHBondContact OG-N 2.98Å; S477-A636 PolarHBondContact OG-O 3.48Å
478R79.3Confident85Confident229 Ų22940.8 Ų40.886%0.86421%0.205SC*.THydrogen-bonded Turntrans5132.5-173-59.3-174.7177.8-175.70.3113.8F474 P475F474-R478 PolarHBondContact O-N 3.45Å; P475-R478 PolarHBondContact O-N 3.41Å
479L86.4Confident85.8Confident30 Ų3043.6 Ų43.616%0.15722%0.223CC..EExtended strand (participates in β ladder)trans-108.9140179-69.9174.5000110.4F474 S477 A636 L665F474-L479 PolarHBondContact N-O 3.14Å; F474-L479 PolarHBondContact O-N 3.22Å; S477-L479 PolarHBondContact O-N 3.39Å; L479-A636 HydrophobicContact CD1-CB 4.13Å; L479-A636 WeakPolarHBondContact CD1-O 3.24Å; L479-L665 HydrophobicContact CD1-CD1 4.38Å
480T88.8Confident86.2Confident10 Ų1042.8 Ų42.86%0.06123%0.231CC..EExtended strand (participates in β ladder)trans-118.1128.5172.5-530000109.1K461 V471 V472 D473 I688 C690 W691K461-T480 HydrophobicContact CD-CG2 4.48Å; K461-T480 PolarHBondContact NZ-OG1 3.36Å; V471-T480 HydrophobicContact CG1-CG2 3.53Å; V472-T480 WeakPolarHBondContact O-CA 3.39Å; D473-T480 PolarHBondContact OD1-OG1 2.77Å; T480-I688 HydrophobicContact CG2-CG2 3.91Å; T480-C690 HydrophobicContact CG2-CB 4.16Å; T480-C690 WeakPolarHBondContact O-CA 3.36Å; T480-W691 PolarHBondContact O-N 2.98Å
481V90.1Very high86.5Confident1 Ų144.3 Ų44.31%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-118.3140.8-177.4179.50000108.7V471 V472 F474 L665 W691 L700V471-V481 WeakPolarHBondContact CA-O 3.47Å; V472-V481 PolarHBondContact N-O 3.16Å; V472-V481 PolarHBondContact O-N 3.22Å; F474-V481 HydrophobicContact CD2-CG2 4.09Å; F474-V481 HydrophobicContact CE2-CB 4.08Å; F474-V481 HydrophobicContact CE2-CG2 3.69Å; V481-L665 HydrophobicContact CB-CD2 4.48Å; V481-L665 HydrophobicContact CG1-CD2 4.04Å; V481-L665 HydrophobicContact CG2-CD1 4.18Å; V481-L665 HydrophobicContact CG2-CD2 3.6Å; V481-W691 CarbonylContact C-O 3.58Å; V481-W691 WeakPolarHBondContact CA-O 3.45Å; V481-W691 WeakPolarHBondContact CG1-O 3.41Å; V481-L700 HydrophobicContact CG1-CD1 4.49Å; V481-L700 HydrophobicContact CG1-CD2 3.97Å
482C91Very high86.8Confident4 Ų445 Ų453%0.02724%0.243CC..EExtended strand (participates in β ladder)trans-130.1145.5178.454.90000111.7F470 V471 C690 W691 F692 A693F470-C482 CarbonylContact O-C 3.5Å; F470-C482 WeakPolarHBondContact O-CA 3.42Å; F470-C482 WeakPolarHBondContact O-CB 3.37Å; V471-C482 HydrophobicContact CG2-CB 4.37Å; C482-C690 HydrophobicContact CB-CB 3.69Å; C482-C690 WeakPolarHBondContact CB-SG 3.28Å; C482-C690 WeakPolarHBondContact SG-CB 2.84Å; C482-C690 CovalentContact SG-SG 2.04Å; C482-C690 PolarHBondContact SG-SG 3.4Å; C482-W691 PolarHBondContact N-O 3.19Å; C482-F692 CarbonylContact O-C 3.53Å; C482-F692 VanDerWaalsContact O-CA 3.25Å; C482-F692 WeakPolarHBondContact O-CA 3.09Å; C482-F692 WeakPolarHBondContact O-CD2 3.4Å; C482-A693 PolarHBondContact O-N 3.4Å
483F91.4Very high87.1Confident1 Ų145 Ų450%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-151.6170.2179.262.5-89.7000110.7F470 V472 I485 F631 A693 A697 L700F470-F483 HydrophobicContact CB-CD1 3.89Å; F470-F483 HydrophobicContact CB-CD2 3.75Å; F470-F483 HydrophobicContact CB-CE1 3.59Å; F470-F483 HydrophobicContact CB-CE2 3.45Å; F470-F483 VanDerWaalsContact CB-CE2 3.45Å; F470-F483 HydrophobicContact CB-CG 3.98Å; F470-F483 HydrophobicContact CB-CZ 3.36Å; F470-F483 AromaticContact CD1-CE2 3.94Å; F470-F483 HydrophobicContact CD1-CE2 3.94Å; F470-F483 AromaticContact CD1-CZ 3.88Å; F470-F483 HydrophobicContact CD1-CZ 3.88Å; F470-F483 HydrophobicContact CD2-CD2 4.08Å; F470-F483 AromaticContact CD2-CE2 3.76Å; F470-F483 HydrophobicContact CD2-CE2 3.76Å; F470-F483 HydrophobicContact CD2-CZ 4.43Å; F470-F483 HydrophobicContact CG-CD2 4.02Å; F470-F483 HydrophobicContact CG-CE1 4.38Å; F470-F483 AromaticContact CG-CE2 3.43Å; F470-F483 HydrophobicContact CG-CE2 3.43Å; F470-F483 VanDerWaalsContact CG-CE2 3.43Å; F470-F483 AromaticContact CG-CZ 3.65Å; F470-F483 HydrophobicContact CG-CZ 3.65Å; F470-F483 PolarHBondContact N-O 3.25Å; F470-F483 PolarHBondContact O-N 2.65Å; V472-F483 HydrophobicContact CG2-CE1 3.84Å; F483-I485 HydrophobicContact CD2-CD1 4.26Å; F483-I485 HydrophobicContact CD2-CG1 4.19Å; F483-I485 HydrophobicContact CE2-CD1 4.18Å; F483-I485 HydrophobicContact CE2-CG1 3.97Å; F483-F631 HydrophobicContact CE1-CE2 4.3Å; F483-F631 HydrophobicContact CZ-CE2 4.42Å; F483-A693 HydrophobicContact CB-CB 4.29Å; F483-A697 HydrophobicContact CB-CB 3.99Å; F483-A697 HydrophobicContact CD2-CB 3.46Å; F483-A697 VanDerWaalsContact CD2-CB 3.46Å; F483-A697 HydrophobicContact CE2-CB 4.01Å; F483-A697 HydrophobicContact CG-CB 3.78Å; F483-L700 HydrophobicContact CB-CD2 4.29Å; F483-L700 HydrophobicContact CD1-CD2 3.62Å; F483-L700 HydrophobicContact CE1-CD2 4.17Å; F483-L700 HydrophobicContact CG-CD2 4.12Å
484N89.3Confident87.6Confident25 Ų2545 Ų4513%0.13424%0.24CC..EExtended strand (participates in β ladder)trans-120.7148.9175.5-59.4-5000109.3H469 N696H469-N484 PolarHBondContact CE1-OD1 3.13Å; H469-N484 PolarHBondContact ND1-OD1 2.92Å; N484-N696 WeakPolarHBondContact O-CA 3.48Å; N484-N696 PolarHBondContact O-OD1 3.33Å
485I87.3Confident88.2Confident0 Ų044.9 Ų44.90%024%0.24CC..  trans-115.6119.5164.4-61.1-66.4000109P468 F470 F483 G487 L627 N696 A697P468-I485 WeakPolarHBondContact CD-O 3.3Å; P468-I485 WeakPolarHBondContact CG-O 3.14Å; F470-I485 HydrophobicContact CD2-CB 4.46Å; F470-I485 HydrophobicContact CD2-CG1 4.07Å; F470-I485 HydrophobicContact CE2-CB 3.78Å; F470-I485 HydrophobicContact CE2-CG1 3.66Å; F470-I485 HydrophobicContact CZ-CB 4.45Å; F470-I485 HydrophobicContact CZ-CG1 4.19Å; F483-I485 HydrophobicContact CD2-CD1 4.26Å; F483-I485 HydrophobicContact CD2-CG1 4.19Å; F483-I485 HydrophobicContact CE2-CD1 4.18Å; F483-I485 HydrophobicContact CE2-CG1 3.97Å; I485-G487 PolarHBondContact O-N 2.77Å; I485-L627 HydrophobicContact CD1-CD2 4.45Å; I485-L627 HydrophobicContact CG1-CD2 4.44Å; I485-N696 WeakPolarHBondContact CA-OD1 3.26Å; I485-A697 HydrophobicContact CD1-CB 4.22Å
486D85.6Confident89.5Confident83 Ų8340.5 Ų40.544%0.44421%0.211SC..  trans-87.773.1177.5-68.9-35.9000110.4K521 N696D486-K521 WeakPolarHBondContact OD1-CE 3.22Å; D486-K521 IonicContact OD1-NZ 2.92Å; D486-K521 PolarHBondContact OD1-NZ 2.91Å; D486-N696 PolarHBondContact N-OD1 2.96Å
487G86.7Confident90.6Very high4 Ų435.1 Ų35.14%0.04119%0.185CC..PPolyproline II helixtrans-76.7170.5176.900000113.9I485 T525I485-G487 PolarHBondContact O-N 2.77Å; G487-T525 WeakPolarHBondContact O-CG2 3.2Å
488Q91.6Very high91.4Very high98 Ų9833.5 Ų33.546%0.45817%0.173SC..PPolyproline II helixtrans-97.5150.3172.1-60.7-57.4-39.900111.6G490 D491Q488-G490 PolarHBondContact O-N 2.93Å; Q488-D491 PolarHBondContact N-OD2 3.39Å; Q488-D491 VanDerWaalsContact O-CB 3.24Å; Q488-D491 WeakPolarHBondContact O-CB 3.47Å; Q488-D491 PolarHBondContact O-N 3.15Å
489P92.4Very high92Very high59 Ų5924.2 Ų24.238%0.38314%0.14SC..THydrogen-bonded Turntrans-54128.8168.9-25.734.3000111T525P489-T525 HydrophobicContact CG-CG2 4.33Å
490G92.8Very high92.1Very high43 Ų4331.7 Ų31.744%0.44317%0.166SC..THydrogen-bonded Turntrans92.6-12.4-174.900000114.7Q488 L510Q488-G490 PolarHBondContact O-N 2.93Å; G490-L510 PolarHBondContact N-O 3.33Å
491D95.7Very high92.2Very high31 Ų3134.7 Ų34.717%0.16618%0.181CC..  trans-62138.7172.4-74.3-6.5000110.3Q488 L493 E509 L510 L709Q488-D491 PolarHBondContact N-OD2 3.39Å; Q488-D491 VanDerWaalsContact O-CB 3.24Å; Q488-D491 WeakPolarHBondContact O-CB 3.47Å; Q488-D491 PolarHBondContact O-N 3.15Å; D491-L493 HydrophobicContact CB-CD2 4.43Å; D491-E509 WeakPolarHBondContact O-CA 3.28Å; D491-L510 HydrophobicContact CB-CD1 4.17Å; D491-L510 PolarHBondContact O-N 2.86Å; D491-L709 HydrophobicContact CB-CD2 3.8Å
492I96.8Very high92.2Very high21 Ų2135.2 Ų35.211%0.10819%0.185CC..EExtended strand (participates in β ladder)trans-109.5108.3176.3-57.5169.6000107.7N507 E509 L709 A710 P713I492-N507 HydrophobicContact CG2-CB 3.87Å; I492-E509 HydrophobicContact CG1-CB 4.34Å; I492-E509 HydrophobicContact CG1-CG 4.1Å; I492-L709 CarbonylContact O-C 3.56Å; I492-L709 WeakPolarHBondContact O-CA 3.42Å; I492-A710 HydrophobicContact CB-CB 4.13Å; I492-A710 HydrophobicContact CG2-CB 3.69Å; I492-A710 PolarHBondContact O-N 2.93Å; I492-P713 HydrophobicContact CD1-CG 3.89Å
493L95.9Very high92.3Very high1 Ų135 Ų351%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-89129.6-177.1-56-173.7000111.2F470 D491 L495 N507 G508 L510 L627 L709F470-L493 HydrophobicContact CZ-CD1 4.17Å; D491-L493 HydrophobicContact CB-CD2 4.43Å; L493-L495 HydrophobicContact CB-CD2 4.16Å; L493-L495 PolarHBondContact O-N 2.92Å; L493-N507 CarbonylContact O-C 3.57Å; L493-N507 VanDerWaalsContact O-CA 3.31Å; L493-N507 WeakPolarHBondContact O-CA 3.5Å; L493-G508 PolarHBondContact N-O 3.41Å; L493-G508 PolarHBondContact O-N 3.34Å; L493-L510 HydrophobicContact CD1-CD1 4.06Å; L493-L510 HydrophobicContact CD1-CD2 4.12Å; L493-L510 HydrophobicContact CD1-CG 4.21Å; L493-L510 HydrophobicContact CD2-CD1 4.46Å; L493-L510 HydrophobicContact CG-CD1 4.24Å; L493-L510 HydrophobicContact CG-CG 4.25Å; L493-L627 HydrophobicContact CB-CD1 4.03Å; L493-L627 HydrophobicContact CD1-CD1 4.2Å; L493-L627 HydrophobicContact CG-CD1 4.5Å; L493-L709 HydrophobicContact CD2-CD2 3.8Å
494R96.3Very high92.5Very high30 Ų3035 Ų3511%0.11318%0.184CC..EExtended strand (participates in β ladder)trans-80.1103.2171.3-174.1169.1-73131.8-1110.4L627 Y708 D715R494-L627 PolarHBondContact O-N 2.73Å; R494-Y708 WeakPolarHBondContact CB-O 3.27Å; R494-Y708 PolarHBondContact N-O 3.25Å; R494-D715 VanDerWaalsContact NH2-CG 3.34Å; R494-D715 IonicContact NH2-OD1 3.81Å; R494-D715 PolarHBondContact NH2-OD1 3.26Å; R494-D715 IonicContact NH2-OD2 2.73Å; R494-D715 PolarHBondContact NH2-OD2 3Å
495L96Very high92.8Very high0 Ų033.8 Ų33.80%018%0.178CC..EExtended strand (participates in β ladder)trans-83.4-47.2-175.9-56.5-177.4000111.7V464 F470 L493 V506 L527 F612 G626 L627 L628 G629V464-L495 HydrophobicContact CG1-CD1 3.94Å; V464-L495 HydrophobicContact CG1-CD2 4.07Å; F470-L495 HydrophobicContact CE1-CD2 4.08Å; F470-L495 HydrophobicContact CZ-CD2 4.46Å; L493-L495 HydrophobicContact CB-CD2 4.16Å; L493-L495 PolarHBondContact O-N 2.92Å; L495-V506 HydrophobicContact CB-CB 4.42Å; L495-V506 HydrophobicContact CB-CG1 4.32Å; L495-V506 HydrophobicContact CD1-CG1 4.24Å; L495-V506 PolarHBondContact N-O 3.26Å; L495-L527 HydrophobicContact CD1-CD1 4.49Å; L495-F612 HydrophobicContact CB-CE1 4.49Å; L495-F612 HydrophobicContact CD1-CB 4.12Å; L495-F612 HydrophobicContact CD1-CD1 3.92Å; L495-F612 HydrophobicContact CD1-CG 3.99Å; L495-G626 CarbonylContact O-C 3.55Å; L495-L627 PolarHBondContact O-N 3.46Å; L495-L628 PolarHBondContact O-N 2.75Å; L495-G629 PolarHBondContact O-N 2.84Å
496V96Very high93.3Very high0 Ų033.8 Ų33.80%018%0.178CC..EExtended strand (participates in β ladder)trans-136.4132.8-179.71800000108.9T505 V506 F612 I614 L620 H625V496-T505 CarbonylContact O-C 3.54Å; V496-T505 WeakPolarHBondContact O-CA 3.37Å; V496-V506 HydrophobicContact CB-CB 3.98Å; V496-V506 HydrophobicContact CB-CG2 3.96Å; V496-V506 HydrophobicContact CG2-CB 4.39Å; V496-V506 HydrophobicContact CG2-CG2 4.38Å; V496-V506 PolarHBondContact N-O 3.38Å; V496-V506 PolarHBondContact O-N 3.15Å; V496-F612 HydrophobicContact CG2-CE1 3.96Å; V496-F612 HydrophobicContact CG2-CZ 4.15Å; V496-I614 HydrophobicContact CG2-CD1 3.83Å; V496-I614 HydrophobicContact CG2-CG1 4.48Å; V496-L620 HydrophobicContact CG1-CD1 4.34Å; V496-L620 HydrophobicContact CG1-CD2 4.36Å; V496-H625 CarbonylContact C-O 3.56Å; V496-H625 WeakPolarHBondContact CA-O 3.42Å
497S95.1Very high93.9Very high28 Ų2829.9 Ų29.920%0.19616%0.157CC..EExtended strand (participates in β ladder)trans-138.8100-178.6-177.20000110.5H625S497-H625 PolarHBondContact N-O 3.04Å; S497-H625 PolarHBondContact O-N 2.78Å
498D94.3Very high94.4Very high6 Ų629.7 Ų29.73%0.03216%0.155CC..EExtended strand (participates in β ladder)trans-141.538.3178.2-168.229.1000110.7R500 D501 S502 G503 V504 L620 S621 C624D498-R500 VanDerWaalsContact C-N 3.32Å; D498-R500 PolarHBondContact O-N 2.64Å; D498-D501 WeakPolarHBondContact OD1-CB 3.37Å; D498-S502 WeakPolarHBondContact CB-OG 3.44Å; D498-S502 PolarHBondContact O-N 3.4Å; D498-S502 VanDerWaalsContact O-N 3.14Å; D498-S502 PolarHBondContact O-OG 2.59Å; D498-S502 VanDerWaalsContact O-OG 3.11Å; D498-S502 WeakPolarHBondContact OD2-CB 3.44Å; D498-S502 PolarHBondContact OD2-N 2.85Å; D498-S502 PolarHBondContact OD2-OG 3.41Å; D498-G503 PolarHBondContact O-N 3.16Å; D498-V504 CarbonylContact C-O 3.55Å; D498-V504 WeakPolarHBondContact CA-O 3.34Å; D498-V504 PolarHBondContact N-O 3.12Å; D498-V504 PolarHBondContact O-N 2.88Å; D498-L620 HydrophobicContact CB-CD2 4.12Å; D498-S621 VanDerWaalsContact CG-OG 3.31Å; D498-S621 WeakPolarHBondContact OD1-CB 3.31Å; D498-S621 PolarHBondContact OD1-OG 3.13Å; D498-S621 PolarHBondContact OD2-N 2.95Å; D498-S621 PolarHBondContact OD2-OG 2.96Å; D498-C624 HydrophobicContact CB-CB 4.11Å
499H91.6Very high94.6Very high33 Ų3326.8 Ų26.815%0.15314%0.141CC..THydrogen-bonded Turntrans-66.2-31.7-168.5-16173.7000113.7G503 V504 T505 T716H499-G503 VanDerWaalsContact O-CA 3.23Å; H499-G503 WeakPolarHBondContact O-CA 3.34Å; H499-G503 PolarHBondContact O-N 3.32Å; H499-V504 PolarHBondContact N-O 2.99Å; H499-T505 WeakPolarHBondContact CB-OG1 3.12Å; H499-T505 PolarHBondContact ND1-OG1 3.25Å; H499-T716 VanDerWaalsContact CE1-CG2 3.49Å; H499-T716 WeakPolarHBondContact CE1-CG2 3.47Å
500R88.6Confident94.8Very high187 Ų18724.1 Ų24.171%0.70612%0.123SC*.THydrogen-bonded Turntrans-76.5-43.2-177.9-67.3-174.8176.4-140-0.9111.5D498 K536 M718D498-R500 VanDerWaalsContact C-N 3.32Å; D498-R500 PolarHBondContact O-N 2.64Å; R500-K536 PolarHBondContact O-NZ 2.79Å; R500-M718 HydrophobicContact CG-CE 4.44Å; R500-M718 HydrophobicContact CG-SD 3.99Å; R500-M718 VanDerWaalsContact CZ-SD 3.51Å; R500-M718 PolarHBondContact NE-SD 2.94Å; R500-M718 PolarHBondContact NH2-SD 3.02Å
501D90.9Very high94.8Very high73 Ų7324.5 Ų24.539%0.3912%0.115SC..THydrogen-bonded Turntrans-91-66.7-170.2-59.2-32.6000110.9D498 K536 S621 N623D498-D501 WeakPolarHBondContact OD1-CB 3.37Å; D501-K536 PolarHBondContact O-NZ 3.09Å; D501-S621 VanDerWaalsContact CB-CB 3.45Å; D501-S621 PolarHBondContact OD2-OG 3.49Å; D501-N623 PolarHBondContact OD2-ND2 3.36Å
502S90.9Very high94.6Very high13 Ų1323.8 Ų23.89%0.09112%0.115CC..THydrogen-bonded Turntrans-82.1-19.8176.465.30000114.1D498 G619D498-S502 WeakPolarHBondContact CB-OG 3.44Å; D498-S502 PolarHBondContact O-N 3.4Å; D498-S502 VanDerWaalsContact O-N 3.14Å; D498-S502 PolarHBondContact O-OG 2.59Å; D498-S502 VanDerWaalsContact O-OG 3.11Å; D498-S502 WeakPolarHBondContact OD2-CB 3.44Å; D498-S502 PolarHBondContact OD2-N 2.85Å; D498-S502 PolarHBondContact OD2-OG 3.41Å; S502-G619 WeakPolarHBondContact CB-O 3.13Å
503G92.6Very high94.3Very high0 Ų023 Ų230%011%0.112CC..  trans88.211.6-176.300000114D498 H499 I534 N535D498-G503 PolarHBondContact O-N 3.16Å; H499-G503 VanDerWaalsContact O-CA 3.23Å; H499-G503 WeakPolarHBondContact O-CA 3.34Å; H499-G503 PolarHBondContact O-N 3.32Å; G503-I534 CarbonylContact O-C 3.58Å; G503-I534 VanDerWaalsContact O-CA 3.31Å; G503-I534 WeakPolarHBondContact O-CA 3.44Å; G503-N535 PolarHBondContact O-N 2.69Å
504V95.3Very high93.9Very high0 Ų026.1 Ų26.10%013%0.132CC..EExtended strand (participates in β ladder)trans-110.3137.3-171.6-179.40000112.1D498 H499 V506 L533 I586 I590 F592 L620D498-V504 CarbonylContact C-O 3.55Å; D498-V504 WeakPolarHBondContact CA-O 3.34Å; D498-V504 PolarHBondContact N-O 3.12Å; D498-V504 PolarHBondContact O-N 2.88Å; H499-V504 PolarHBondContact N-O 2.99Å; V504-V506 HydrophobicContact CG1-CG2 4.36Å; V504-L533 CarbonylContact C-O 3.59Å; V504-L533 WeakPolarHBondContact CA-O 3.47Å; V504-I586 HydrophobicContact CG1-CD1 4.19Å; V504-I586 HydrophobicContact CG2-CD1 3.77Å; V504-I590 HydrophobicContact CG2-CD1 3.86Å; V504-F592 HydrophobicContact CG1-CE2 3.71Å; V504-F592 HydrophobicContact CG1-CZ 3.82Å; V504-L620 HydrophobicContact CB-CD2 4.36Å
505T96.4Very high93.2Very high0 Ų026.2 Ų26.20%014%0.139CC..EExtended strand (participates in β ladder)trans-141.6137.4169.7-49.80000109.8V496 H499 I532 L533V496-T505 CarbonylContact O-C 3.54Å; V496-T505 WeakPolarHBondContact O-CA 3.37Å; H499-T505 WeakPolarHBondContact CB-OG1 3.12Å; H499-T505 PolarHBondContact ND1-OG1 3.25Å; T505-I532 CarbonylContact O-C 3.54Å; T505-I532 WeakPolarHBondContact O-CA 3.39Å; T505-L533 HydrophobicContact CG2-CD1 4.18Å; T505-L533 PolarHBondContact N-O 3.01Å; T505-L533 PolarHBondContact O-N 2.9Å
506V97.7Very high92.4Very high0 Ų027.5 Ų27.50%015%0.148CC..EExtended strand (participates in β ladder)trans-126.9122.1179.2-173.80000109.6L495 V496 V504 I530 T531 I532 F592 F612L495-V506 HydrophobicContact CB-CB 4.42Å; L495-V506 HydrophobicContact CB-CG1 4.32Å; L495-V506 HydrophobicContact CD1-CG1 4.24Å; L495-V506 PolarHBondContact N-O 3.26Å; V496-V506 HydrophobicContact CB-CB 3.98Å; V496-V506 HydrophobicContact CB-CG2 3.96Å; V496-V506 HydrophobicContact CG2-CB 4.39Å; V496-V506 HydrophobicContact CG2-CG2 4.38Å; V496-V506 PolarHBondContact N-O 3.38Å; V496-V506 PolarHBondContact O-N 3.15Å; V504-V506 HydrophobicContact CG1-CG2 4.36Å; V506-I530 HydrophobicContact CG1-CG2 3.85Å; V506-T531 WeakPolarHBondContact CA-O 3.35Å; V506-I532 HydrophobicContact CG1-CG1 4.19Å; V506-I532 HydrophobicContact CG2-CG1 4.18Å; V506-I532 HydrophobicContact CG2-CG2 4.28Å; V506-F592 HydrophobicContact CG2-CD2 4.45Å; V506-F592 HydrophobicContact CG2-CE2 3.95Å; V506-F592 HydrophobicContact CG2-CZ 4.12Å; V506-F612 HydrophobicContact CB-CE2 4.48Å; V506-F612 HydrophobicContact CB-CZ 4.25Å; V506-F612 HydrophobicContact CG1-CD2 4.14Å; V506-F612 HydrophobicContact CG1-CE1 4.46Å; V506-F612 HydrophobicContact CG1-CE2 3.67Å; V506-F612 HydrophobicContact CG1-CZ 3.85Å; V506-F612 HydrophobicContact CG2-CE2 4.28Å; V506-F612 HydrophobicContact CG2-CZ 4.04Å
507N97.8Very high91.3Very high1 Ų132.8 Ų32.81%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-119.7142177.7-64.3-35.5000110I492 L493 I530 T531 P713 D715I492-N507 HydrophobicContact CG2-CB 3.87Å; L493-N507 CarbonylContact O-C 3.57Å; L493-N507 VanDerWaalsContact O-CA 3.31Å; L493-N507 WeakPolarHBondContact O-CA 3.5Å; N507-I530 CarbonylContact O-C 3.58Å; N507-I530 WeakPolarHBondContact O-CA 3.41Å; N507-T531 PolarHBondContact N-O 2.95Å; N507-T531 PolarHBondContact O-N 2.86Å; N507-P713 PolarHBondContact ND2-O 3.43Å; N507-D715 PolarHBondContact ND2-O 3.41Å
508G96.9Very high90.2Very high0 Ų039.4 Ų39.40%022%0.215CC..EExtended strand (participates in β ladder)trans-126.1120.8-179.800000112L493 T529L493-G508 PolarHBondContact N-O 3.41Å; L493-G508 PolarHBondContact O-N 3.34Å; G508-T529 CarbonylContact C-O 3.57Å; G508-T529 WeakPolarHBondContact CA-O 3.32Å
509E97Very high88.9Confident37 Ų3741 Ų4117%0.17323%0.233CC..EExtended strand (participates in β ladder)trans-89.9133.6179.2-170-165.7164.900111.6D491 I492 L527 R528 T529D491-E509 WeakPolarHBondContact O-CA 3.28Å; I492-E509 HydrophobicContact CG1-CB 4.34Å; I492-E509 HydrophobicContact CG1-CG 4.1Å; E509-L527 WeakPolarHBondContact O-CA 3.27Å; E509-R528 PolarHBondContact O-N 3.48Å; E509-R528 IonicContact OE1-CZ 3.66Å; E509-R528 IonicContact OE1-NE 3.35Å; E509-R528 IonicContact OE1-NH2 3.5Å; E509-R528 PolarHBondContact OE1-NH2 3.07Å; E509-R528 IonicContact OE2-CZ 3.95Å; E509-R528 IonicContact OE2-NE 2.77Å; E509-R528 IonicContact OE2-NH2 3.79Å; E509-R528 PolarHBondContact OE2-NH2 3.11Å; E509-T529 PolarHBondContact N-O 2.75Å
510L95.6Very high87.8Confident2 Ų249.2 Ų49.21%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-88.1142.5-179.7-63.2-177.2000113.9P468 G490 D491 L493 T525 Y526 L527P468-L510 HydrophobicContact CG-CD2 4.37Å; G490-L510 PolarHBondContact N-O 3.33Å; D491-L510 HydrophobicContact CB-CD1 4.17Å; D491-L510 PolarHBondContact O-N 2.86Å; L493-L510 HydrophobicContact CD1-CD1 4.06Å; L493-L510 HydrophobicContact CD1-CD2 4.12Å; L493-L510 HydrophobicContact CD1-CG 4.21Å; L493-L510 HydrophobicContact CD2-CD1 4.46Å; L493-L510 HydrophobicContact CG-CD1 4.24Å; L493-L510 HydrophobicContact CG-CG 4.25Å; L510-T525 HydrophobicContact CD1-CG2 4.5Å; L510-Y526 CarbonylContact C-O 3.58Å; L510-Y526 VanDerWaalsContact CA-O 3.27Å; L510-Y526 WeakPolarHBondContact CA-O 3.42Å; L510-L527 HydrophobicContact CD2-CD2 3.94Å; L510-L527 HydrophobicContact CD2-CG 4.43Å
511I94.2Very high86.9Confident51 Ų5142.9 Ų42.926%0.26225%0.249SC..EExtended strand (participates in β ladder)trans-120139.7167.2-172.3172.9000110.9T525 Y526 R528I511-T525 CarbonylContact O-C 3.2Å; I511-T525 VanDerWaalsContact O-CA 3.27Å; I511-T525 WeakPolarHBondContact O-CA 3.46Å; I511-Y526 WeakPolarHBondContact CG2-O 3.46Å; I511-Y526 PolarHBondContact N-O 3.41Å; I511-Y526 PolarHBondContact O-N 3.46Å; I511-R528 HydrophobicContact CB-CB 3.88Å; I511-R528 HydrophobicContact CB-CG 4.41Å; I511-R528 HydrophobicContact CG2-CB 3.79Å; I511-R528 HydrophobicContact CG2-CG 4.44Å
512G91.3Very high86.1Confident17 Ų1749.6 Ų49.618%0.17527%0.274CS..EExtended strand (participates in β ladder)trans-82148.4178.100000114.8R524G512-R524 CarbonylContact C-O 3.54Å; G512-R524 WeakPolarHBondContact CA-O 3.3Å
513A89.6Confident85.8Confident4 Ų452 Ų523%0.03328%0.284CS..EExtended strand (participates in β ladder)trans-134.7148.1164.100000110.3R524 Y526 R607A513-R524 HydrophobicContact CB-CB 4.35Å; A513-R524 PolarHBondContact N-O 2.91Å; A513-R524 PolarHBondContact O-N 2.96Å; A513-Y526 HydrophobicContact CB-CD2 4.24Å; A513-Y526 HydrophobicContact CB-CE2 3.86Å; A513-R607 HydrophobicContact CB-CG 3.77Å
514P87.3Confident85.6Confident66 Ų6655.7 Ų55.743%0.42930%0.298SS..EExtended strand (participates in β ladder)trans-46.5149.1168.3-28.831.6000113P604 F605P514-P604 WeakPolarHBondContact CD-O 3.26Å; P514-P604 WeakPolarHBondContact CG-O 3.49Å; P514-F605 VanDerWaalsContact O-CA 3.28Å; P514-F605 WeakPolarHBondContact O-CA 3.41Å; P514-F605 WeakPolarHBondContact O-CB 3.38Å
515A81.9Confident85.4Confident32 Ų3255.9 Ų55.926%0.26430%0.299SS..PPolyproline II helixtrans-71.7148.1171.700000111.2K521A515-K521 WeakPolarHBondContact CB-O 3.24Å
516P79.9Confident85.2Confident28 Ų2856.3 Ų56.318%0.18230%0.301CS..PPolyproline II helixtrans-60.6151.6169.5-17.629.4000111.5N518 G519 F605P516-N518 PolarHBondContact O-N 2.96Å; P516-G519 PolarHBondContact O-N 3.48Å; P516-F605 HydrophobicContact CB-CD1 4.1Å; P516-F605 HydrophobicContact CB-CE1 4.31Å; P516-F605 HydrophobicContact CB-CG 4.26Å; P516-F605 HydrophobicContact CG-CB 4.27Å; P516-F605 HydrophobicContact CG-CD1 4.36Å; P516-F605 HydrophobicContact CG-CD2 4.14Å; P516-F605 HydrophobicContact CG-CG 4Å
517P73.1Confident85.1Confident110 Ų11056.4 Ų56.471%0.71430%0.302SS*.THydrogen-bonded Turntrans-54130.3170.2-19.830.6000110G519P517-G519 VanDerWaalsContact C-N 3.3Å; P517-G519 PolarHBondContact O-N 3.07Å
518N71.7Confident85Confident168 Ų16861.4 Ų61.490%0.89832%0.32SS*.THydrogen-bonded Turntrans67.616.1-175.6-49.3-27.6000116P516P516-N518 PolarHBondContact O-N 2.96Å
519G65.9Low85Confident40 Ų4061.9 Ų61.941%0.41232%0.323SS..  trans-76.3143.3174.300000113.3P516 P517 K521P516-G519 PolarHBondContact O-N 3.48Å; P517-G519 VanDerWaalsContact C-N 3.3Å; P517-G519 PolarHBondContact O-N 3.07Å; G519-K521 VanDerWaalsContact C-N 3.29Å; G519-K521 PolarHBondContact O-N 2.87Å
520H68.4Low85.1Confident204 Ų20460.1 Ų60.194%0.94432%0.315SS*.SBendtrans-74.3-13.3177.1-62.2-71000114.4
521K70.6Confident85.2Confident54 Ų5460.2 Ų60.224%0.23532%0.316CS..SBendtrans-94.1145.3178.5-68.6-163.7-179.3-165.40111D467 D486 A515 G519D467-K521 PolarHBondContact O-NZ 3.24Å; D467-K521 IonicContact OD1-NZ 2.89Å; D467-K521 WeakPolarHBondContact OD2-CD 3.49Å; D467-K521 IonicContact OD2-NZ 2.89Å; D467-K521 PolarHBondContact OD2-NZ 3.43Å; D486-K521 WeakPolarHBondContact OD1-CE 3.22Å; D486-K521 IonicContact OD1-NZ 2.92Å; D486-K521 PolarHBondContact OD1-NZ 2.91Å; A515-K521 WeakPolarHBondContact CB-O 3.24Å; G519-K521 VanDerWaalsContact C-N 3.29Å; G519-K521 PolarHBondContact O-N 2.87Å
522K74.2Confident85.3Confident215 Ų21557.8 Ų57.894%0.93530%0.303SS*.SBendtrans-68.8-32.7174.5-68.6-175.9178.6-179.80112.9
523Q85.1Confident85.5Confident64 Ų6457.7 Ų57.730%0.29930%0.298SS..EExtended strand (participates in β ladder)trans-153.7162.2176.868.1-169.4-4.100109.5
524R87.4Confident85.6Confident77 Ų7757.7 Ų57.729%0.29130%0.298SS..EExtended strand (participates in β ladder)trans-102.3151.1167-63.9-163.6153.5175.5-4110.1D467 G512 A513 Y526D467-R524 HydrophobicContact CB-CB 4.4Å; D467-R524 WeakPolarHBondContact OD1-CA 3.44Å; D467-R524 VanDerWaalsContact OD2-CG 3.29Å; D467-R524 WeakPolarHBondContact OD2-CG 3.31Å; D467-R524 IonicContact OD2-NE 3.23Å; G512-R524 CarbonylContact C-O 3.54Å; G512-R524 WeakPolarHBondContact CA-O 3.3Å; A513-R524 HydrophobicContact CB-CB 4.35Å; A513-R524 PolarHBondContact N-O 2.91Å; A513-R524 PolarHBondContact O-N 2.96Å; R524-Y526 HydrophobicContact CB-CE2 3.92Å; R524-Y526 WeakPolarHBondContact CD-OH 3.22Å
525T91.1Very high85.8Confident3 Ų358 Ų582%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-129.8135.3176.346.10000110.7D467 P468 G487 P489 L510 I511D467-T525 VanDerWaalsContact CA-O 3.26Å; D467-T525 WeakPolarHBondContact CA-O 3.41Å; D467-T525 PolarHBondContact OD1-N 3.13Å; D467-T525 PolarHBondContact OD1-OG1 3.5Å; P468-T525 WeakPolarHBondContact CD-O 3.31Å; P468-T525 VanDerWaalsContact CD-OG1 3.31Å; P468-T525 WeakPolarHBondContact CD-OG1 3.23Å; G487-T525 WeakPolarHBondContact O-CG2 3.2Å; P489-T525 HydrophobicContact CG-CG2 4.33Å; L510-T525 HydrophobicContact CD1-CG2 4.5Å; I511-T525 CarbonylContact O-C 3.2Å; I511-T525 VanDerWaalsContact O-CA 3.27Å; I511-T525 WeakPolarHBondContact O-CA 3.46Å
526Y93.3Very high85.9Confident9 Ų960.6 Ų60.64%0.03530%0.301CS..EExtended strand (participates in β ladder)trans-127155.5-178.6-63.7-83.1000110.9G466 D467 L510 I511 A513 R524 R528 F605 R607 H609G466-Y526 WeakPolarHBondContact O-CD1 3.25Å; D467-Y526 HydrophobicContact CB-CE1 4.48Å; L510-Y526 CarbonylContact C-O 3.58Å; L510-Y526 VanDerWaalsContact CA-O 3.27Å; L510-Y526 WeakPolarHBondContact CA-O 3.42Å; I511-Y526 WeakPolarHBondContact CG2-O 3.46Å; I511-Y526 PolarHBondContact N-O 3.41Å; I511-Y526 PolarHBondContact O-N 3.46Å; A513-Y526 HydrophobicContact CB-CD2 4.24Å; A513-Y526 HydrophobicContact CB-CE2 3.86Å; R524-Y526 HydrophobicContact CB-CE2 3.92Å; R524-Y526 WeakPolarHBondContact CD-OH 3.22Å; Y526-R528 PolarHBondContact O-N 2.74Å; Y526-F605 PolarHBondContact OH-O 2.85Å; Y526-R607 HydrophobicContact CD2-CB 4.21Å; Y526-R607 HydrophobicContact CD2-CG 4.49Å; Y526-H609 HydrophobicContact CD1-CB 4.12Å; Y526-H609 AromaticContact CD1-CD2 3.64Å; Y526-H609 AromaticContact CD1-CE1 3.86Å; Y526-H609 AromaticContact CD1-CG 3.6Å; Y526-H609 AromaticContact CD1-ND1 3.73Å; Y526-H609 AromaticContact CD1-NE2 3.79Å; Y526-H609 AromaticContact CE1-CE1 3.94Å; Y526-H609 HydrophobicContact CG-CB 4.06Å
527L95.3Very high85.5Confident3 Ų362.6 Ų62.62%0.01631%0.314CS..EExtended strand (participates in β ladder)trans-72.7116.4171.3-68.3169.6000110.2V464 L495 E509 L510 I530 H609 L610V464-L527 HydrophobicContact CG1-CD1 3.71Å; V464-L527 HydrophobicContact CG2-CD1 4.19Å; L495-L527 HydrophobicContact CD1-CD1 4.49Å; E509-L527 WeakPolarHBondContact O-CA 3.27Å; L510-L527 HydrophobicContact CD2-CD2 3.94Å; L510-L527 HydrophobicContact CD2-CG 4.43Å; L527-I530 HydrophobicContact CD1-CD1 4.45Å; L527-H609 CarbonylContact O-C 3.51Å; L527-H609 WeakPolarHBondContact O-CA 3.47Å; L527-H609 WeakPolarHBondContact O-CB 3.42Å; L527-L610 HydrophobicContact CB-CB 4.35Å; L527-L610 WeakPolarHBondContact CB-O 3.35Å; L527-L610 PolarHBondContact O-N 2.98Å
528R94.9Very high86Confident106 Ų10661.1 Ų61.140%0.430%0.298SS..EExtended strand (participates in β ladder)trans-88-44177.2-177.2178.470.9135-1.4111.9E509 I511 Y526 P546E509-R528 PolarHBondContact O-N 3.48Å; E509-R528 IonicContact OE1-CZ 3.66Å; E509-R528 IonicContact OE1-NE 3.35Å; E509-R528 IonicContact OE1-NH2 3.5Å; E509-R528 PolarHBondContact OE1-NH2 3.07Å; E509-R528 IonicContact OE2-CZ 3.95Å; E509-R528 IonicContact OE2-NE 2.77Å; E509-R528 IonicContact OE2-NH2 3.79Å; E509-R528 PolarHBondContact OE2-NH2 3.11Å; I511-R528 HydrophobicContact CB-CB 3.88Å; I511-R528 HydrophobicContact CB-CG 4.41Å; I511-R528 HydrophobicContact CG2-CB 3.79Å; I511-R528 HydrophobicContact CG2-CG 4.44Å; Y526-R528 PolarHBondContact O-N 2.74Å; R528-P546 WeakPolarHBondContact O-CD 3.26Å
529T97.3Very high86.8Confident10 Ų1062.6 Ų62.66%0.06129%0.291CS..EExtended strand (participates in β ladder)trans-136.3132.7-173-55.20000108.7G508 E509 E543 I544 T545G508-T529 CarbonylContact C-O 3.57Å; G508-T529 WeakPolarHBondContact CA-O 3.32Å; E509-T529 PolarHBondContact N-O 2.75Å; T529-E543 HydrophobicContact CG2-CG 3.66Å; T529-I544 VanDerWaalsContact CA-O 3.3Å; T529-I544 WeakPolarHBondContact CA-O 3.39Å; T529-T545 HydrophobicContact CG2-CG2 4.3Å
530I98.2Very high88Confident0 Ų061.2 Ų61.20%028%0.275CS..EExtended strand (participates in β ladder)trans-113.3125.6170.4-68.6162.5000107.8V506 N507 L527 I532 I544 I594 L610 F612V506-I530 HydrophobicContact CG1-CG2 3.85Å; N507-I530 CarbonylContact O-C 3.58Å; N507-I530 WeakPolarHBondContact O-CA 3.41Å; L527-I530 HydrophobicContact CD1-CD1 4.45Å; I530-I532 HydrophobicContact CG2-CG1 4.13Å; I530-I544 PolarHBondContact N-O 3.1Å; I530-I544 PolarHBondContact O-N 2.89Å; I530-I594 HydrophobicContact CD1-CG1 4.17Å; I530-I594 HydrophobicContact CD1-CG2 3.63Å; I530-L610 HydrophobicContact CB-CD1 4.33Å; I530-L610 HydrophobicContact CD1-CB 3.73Å; I530-L610 HydrophobicContact CD1-CD1 3.97Å; I530-L610 HydrophobicContact CG1-CB 4.46Å; I530-L610 HydrophobicContact CG1-CD1 4.06Å; I530-F612 HydrophobicContact CD1-CB 3.84Å; I530-F612 HydrophobicContact CD1-CD2 4.39Å; I530-F612 HydrophobicContact CG2-CD2 4.3Å
531T97.8Very high89.1Confident4 Ų454.6 Ų54.63%0.02524%0.242CC..EExtended strand (participates in β ladder)trans-109.3127.4176.5-53.20000109.5V506 N507 L542 P713 F714V506-T531 WeakPolarHBondContact CA-O 3.35Å; N507-T531 PolarHBondContact N-O 2.95Å; N507-T531 PolarHBondContact O-N 2.86Å; T531-L542 CarbonylContact C-O 3.55Å; T531-L542 VanDerWaalsContact CA-O 3.23Å; T531-L542 WeakPolarHBondContact CA-O 3.48Å; T531-P713 HydrophobicContact CG2-CB 4.45Å; T531-P713 WeakPolarHBondContact CG2-O 3.48Å; T531-F714 HydrophobicContact CG2-CD1 3.64Å; T531-F714 HydrophobicContact CG2-CE1 3.55Å; T531-F714 HydrophobicContact CG2-CZ 4.42Å
532I97Very high90.3Very high0 Ų052 Ų520%023%0.231CC..EExtended strand (participates in β ladder)trans-117.4120.8177.5-55.3174.8000108T505 V506 I530 I534 Y541 L542 I544 V584 F592 I594T505-I532 CarbonylContact O-C 3.54Å; T505-I532 WeakPolarHBondContact O-CA 3.39Å; V506-I532 HydrophobicContact CG1-CG1 4.19Å; V506-I532 HydrophobicContact CG2-CG1 4.18Å; V506-I532 HydrophobicContact CG2-CG2 4.28Å; I530-I532 HydrophobicContact CG2-CG1 4.13Å; I532-I534 HydrophobicContact CG2-CD1 4.26Å; I532-I534 HydrophobicContact CG2-CG1 4Å; I532-Y541 CarbonylContact O-C 3.59Å; I532-Y541 WeakPolarHBondContact O-CA 3.41Å; I532-L542 HydrophobicContact CB-CB 4.26Å; I532-L542 HydrophobicContact CB-CD1 4.34Å; I532-L542 PolarHBondContact N-O 3.2Å; I532-L542 PolarHBondContact O-N 3.41Å; I532-I544 HydrophobicContact CD1-CD1 4.05Å; I532-V584 HydrophobicContact CD1-CB 4.25Å; I532-V584 HydrophobicContact CD1-CG1 4.36Å; I532-V584 HydrophobicContact CD1-CG2 3.95Å; I532-F592 HydrophobicContact CD1-CD2 4.12Å; I532-F592 HydrophobicContact CG2-CE2 4.44Å; I532-I594 HydrophobicContact CD1-CD1 4.18Å
533L94.9Very high91.4Very high14 Ų1444.1 Ų44.17%0.07320%0.197CC..EExtended strand (participates in β ladder)trans-103.6132.4176.4-64.5143.7000108.9V504 T505 F714 T716V504-L533 CarbonylContact C-O 3.59Å; V504-L533 WeakPolarHBondContact CA-O 3.47Å; T505-L533 HydrophobicContact CG2-CD1 4.18Å; T505-L533 PolarHBondContact N-O 3.01Å; T505-L533 PolarHBondContact O-N 2.9Å; L533-F714 HydrophobicContact CD2-CB 4.03Å; L533-F714 HydrophobicContact CD2-CD1 3.87Å; L533-F714 HydrophobicContact CD2-CG 4.46Å; L533-T716 HydrophobicContact CD1-CG2 4Å
534I93.3Very high92Very high4 Ų441.1 Ų41.12%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-132.3124.4-177.8-53.5173.4000107.4G503 I532 K536 R539 S540 L542 L572 I586G503-I534 CarbonylContact O-C 3.58Å; G503-I534 VanDerWaalsContact O-CA 3.31Å; G503-I534 WeakPolarHBondContact O-CA 3.44Å; I532-I534 HydrophobicContact CG2-CD1 4.26Å; I532-I534 HydrophobicContact CG2-CG1 4Å; I534-K536 WeakPolarHBondContact CG2-O 3.35Å; I534-R539 CarbonylContact O-C 3.59Å; I534-R539 VanDerWaalsContact O-CA 3.28Å; I534-R539 WeakPolarHBondContact O-CA 3.22Å; I534-S540 PolarHBondContact N-O 2.89Å; I534-S540 PolarHBondContact O-N 2.85Å; I534-L542 HydrophobicContact CD1-CD1 3.81Å; I534-L572 HydrophobicContact CD1-CD1 3.52Å; I534-L572 HydrophobicContact CD1-CD2 3.94Å; I534-L572 HydrophobicContact CD1-CG 4.34Å; I534-I586 HydrophobicContact CD1-CD1 3.59Å; I534-I586 HydrophobicContact CD1-CG1 3.81Å; I534-I586 HydrophobicContact CG1-CD1 3.85Å; I534-I586 HydrophobicContact CG2-CG2 4.03Å
535N89.9Confident92.5Very high73 Ų7338.2 Ų38.239%0.3917%0.174SC..  trans-110.3-11.7178.2-160.133.8000113.3G503G503-N535 PolarHBondContact O-N 2.69Å
536K84.4Confident92.6Very high86 Ų8639.1 Ų39.137%0.37418%0.18SC..SBendtrans-129.7134.1179.3-62.5179.9-174.8172.10109.3R500 D501 I534R500-K536 PolarHBondContact O-NZ 2.79Å; D501-K536 PolarHBondContact O-NZ 3.09Å; I534-K536 WeakPolarHBondContact CG2-O 3.35Å
537P72.9Confident92.6Very high70 Ų7042.8 Ų42.846%0.45521%0.207SC..SBendcis-78.5-26.7-031.9-33.8000114.4W570P537-W570 WeakPolarHBondContact CG-O 3.27Å
538E82.1Confident92.5Very high80 Ų8048 Ų4837%0.37423%0.226SC..SBendtrans-125.4151.7173-71-167.9167.900109.9K322 S540K322-E538 IonicContact NZ-OE1 3.42Å; K322-E538 PolarHBondContact NZ-OE1 3.24Å; K322-E538 VanDerWaalsContact NZ-OE1 3.09Å; K322-E538 IonicContact NZ-OE2 3.53Å; K322-E538 PolarHBondContact NZ-OE2 2.87Å; E538-S540 PolarHBondContact O-N 2.86Å; E538-S540 VanDerWaalsContact O-N 3.17Å
539R89.1Confident92.5Very high198 Ų19842.9 Ų42.975%0.74721%0.207SC*.  trans-66.6115.8178.6-173.1177.7179179.50.3110.2I534I534-R539 CarbonylContact O-C 3.59Å; I534-R539 VanDerWaalsContact O-CA 3.28Å; I534-R539 WeakPolarHBondContact O-CA 3.22Å
540S90.9Very high92.3Very high12 Ų1242.5 Ų42.58%0.08421%0.205CC..EExtended strand (participates in β ladder)trans-138.3152.7175.5-60.50000110.3I534 E538 D552I534-S540 PolarHBondContact N-O 2.89Å; I534-S540 PolarHBondContact O-N 2.85Å; E538-S540 PolarHBondContact O-N 2.86Å; E538-S540 VanDerWaalsContact O-N 3.17Å; S540-D552 CarbonylContact C-O 3.6Å; S540-D552 WeakPolarHBondContact CA-O 3.41Å
541Y92.3Very high91.9Very high65 Ų6542.6 Ų42.626%0.25521%0.205SC..EExtended strand (participates in β ladder)trans-136.9148.3168.665.8-90.5000111.2I532 D552 F714I532-Y541 CarbonylContact O-C 3.59Å; I532-Y541 WeakPolarHBondContact O-CA 3.41Å; Y541-D552 HydrophobicContact CD1-CB 4.03Å; Y541-D552 HydrophobicContact CD2-CB 4.23Å; Y541-D552 HydrophobicContact CE1-CB 3.48Å; Y541-D552 VanDerWaalsContact CE1-CB 3.48Å; Y541-D552 WeakPolarHBondContact CE1-OD2 3.06Å; Y541-D552 HydrophobicContact CE2-CB 3.77Å; Y541-D552 HydrophobicContact CG-CB 4.39Å; Y541-D552 PolarHBondContact N-O 2.76Å; Y541-D552 PolarHBondContact O-N 2.79Å; Y541-D552 PolarHBondContact OH-OD2 3.49Å; Y541-F714 HydrophobicContact CD2-CD1 4.18Å; Y541-F714 AromaticContact CD2-CE1 3.32Å; Y541-F714 HydrophobicContact CD2-CE1 3.32Å; Y541-F714 AromaticContact CD2-CZ 3.99Å; Y541-F714 HydrophobicContact CD2-CZ 3.99Å; Y541-F714 AromaticContact CE2-CE1 3.71Å; Y541-F714 HydrophobicContact CE2-CE1 3.71Å; Y541-F714 AromaticContact CE2-CZ 3.91Å; Y541-F714 HydrophobicContact CE2-CZ 3.91Å; Y541-F714 HydrophobicContact CG-CD1 4.32Å; Y541-F714 AromaticContact CG-CE1 3.9Å; Y541-F714 HydrophobicContact CG-CE1 3.9Å
542L95.7Very high91.5Very high0 Ų044 Ų440%021%0.213CC..EExtended strand (participates in β ladder)trans-119136.3176.7-64.182.8000109.3T531 I532 I534 I550 L551 L572 V574 V584T531-L542 CarbonylContact C-O 3.55Å; T531-L542 VanDerWaalsContact CA-O 3.23Å; T531-L542 WeakPolarHBondContact CA-O 3.48Å; I532-L542 HydrophobicContact CB-CB 4.26Å; I532-L542 HydrophobicContact CB-CD1 4.34Å; I532-L542 PolarHBondContact N-O 3.2Å; I532-L542 PolarHBondContact O-N 3.41Å; I534-L542 HydrophobicContact CD1-CD1 3.81Å; L542-I550 CarbonylContact C-O 3.48Å; L542-I550 VanDerWaalsContact CA-O 3.22Å; L542-I550 WeakPolarHBondContact CA-O 3.27Å; L542-L551 HydrophobicContact CD1-CD1 4Å; L542-L551 HydrophobicContact CD2-CD1 4.49Å; L542-L551 HydrophobicContact CG-CD1 3.86Å; L542-L572 HydrophobicContact CD1-CD2 4.34Å; L542-V574 HydrophobicContact CD2-CG1 4.09Å; L542-V574 HydrophobicContact CD2-CG2 3.57Å; L542-V584 HydrophobicContact CD2-CG1 4.02Å; L542-V584 HydrophobicContact CD2-CG2 3.67Å
543E96.7Very high90.6Very high49 Ų4944.7 Ų44.723%0.22922%0.22CC..EExtended strand (participates in β ladder)trans-118.7113.9167.9-175.1-168.313500108T529 V549 I550T529-E543 HydrophobicContact CG2-CG 3.66Å; E543-V549 CarbonylContact O-C 3.49Å; E543-V549 WeakPolarHBondContact O-CA 3.37Å; E543-I550 HydrophobicContact CB-CB 4.24Å; E543-I550 PolarHBondContact N-O 3.26Å; E543-I550 PolarHBondContact O-N 3.43Å
544I98Very high89.7Confident0 Ų047.4 Ų47.40%025%0.251CS..EExtended strand (participates in β ladder)trans-111.1128.4-174.9-58.4162.9000108.6T529 I530 I532 V549 V582 V584 I594 L610T529-I544 VanDerWaalsContact CA-O 3.3Å; T529-I544 WeakPolarHBondContact CA-O 3.39Å; I530-I544 PolarHBondContact N-O 3.1Å; I530-I544 PolarHBondContact O-N 2.89Å; I532-I544 HydrophobicContact CD1-CD1 4.05Å; I544-V549 HydrophobicContact CG1-CG1 4Å; I544-V549 HydrophobicContact CG1-CG2 4.24Å; I544-V549 HydrophobicContact CG2-CG2 4.2Å; I544-V582 HydrophobicContact CD1-CG1 4.23Å; I544-V582 HydrophobicContact CG2-CG2 4.13Å; I544-V584 HydrophobicContact CD1-CG2 4.29Å; I544-I594 HydrophobicContact CD1-CD1 3.73Å; I544-I594 HydrophobicContact CD1-CG1 3.91Å; I544-I594 HydrophobicContact CG2-CG2 3.98Å; I544-L610 HydrophobicContact CG2-CD1 4.1Å; I544-L610 VanDerWaalsContact O-CD1 3.27Å; I544-L610 WeakPolarHBondContact O-CD1 3.34Å
545T96.9Very high88.8Confident17 Ų1749.7 Ų49.710%0.10426%0.263CS..  trans-129.4166.4174.564.50000109.1T529 S547 R548 C561T529-T545 HydrophobicContact CG2-CG2 4.3Å; T545-S547 PolarHBondContact O-N 2.65Å; T545-S547 PolarHBondContact OG1-OG 2.74Å; T545-R548 PolarHBondContact N-O 3.28Å; T545-R548 PolarHBondContact O-N 2.91Å; T545-R548 VanDerWaalsContact OG1-CG 3.27Å; T545-R548 WeakPolarHBondContact OG1-CG 3.37Å; T545-R548 PolarHBondContact OG1-N 2.72Å; T545-R548 VanDerWaalsContact OG1-N 3.11Å; T545-R548 PolarHBondContact OG1-O 3.36Å; T545-C561 PolarHBondContact O-SG 3.11Å
546P94.5Very high88.6Confident21 Ų2152.8 Ų52.814%0.13627%0.27CS..SBendtrans-59.4-19.4177.6-27.735.6000115.3R528 C561 I596 L598 H608 L610R528-P546 WeakPolarHBondContact O-CD 3.26Å; P546-C561 WeakPolarHBondContact O-CB 3.46Å; P546-I596 HydrophobicContact CB-CG2 4.05Å; P546-L598 HydrophobicContact CB-CD2 4.13Å; P546-H608 HydrophobicContact CB-CB 4.08Å; P546-H608 HydrophobicContact CG-CB 4.11Å; P546-L610 HydrophobicContact CG-CD2 4.05Å; P546-L610 HydrophobicContact CG-CG 4.27Å
547S91.9Very high88.7Confident87 Ų8749 Ų4961%0.60825%0.253SS*.SBendtrans-105.8-26.7-176.851.60000114.6T545 C561T545-S547 PolarHBondContact O-N 2.65Å; T545-S547 PolarHBondContact OG1-OG 2.74Å; S547-C561 PolarHBondContact O-N 2.74Å
548R93.6Very high89.4Confident111 Ų11149 Ų4942%0.41925%0.252SS..EExtended strand (participates in β ladder)trans-153.5155.7-17466.4176.6-172.4-162.31.9113T545 V558 L559 C561T545-R548 PolarHBondContact N-O 3.28Å; T545-R548 PolarHBondContact O-N 2.91Å; T545-R548 VanDerWaalsContact OG1-CG 3.27Å; T545-R548 WeakPolarHBondContact OG1-CG 3.37Å; T545-R548 PolarHBondContact OG1-N 2.72Å; T545-R548 VanDerWaalsContact OG1-N 3.11Å; T545-R548 PolarHBondContact OG1-O 3.36Å; R548-V558 HydrophobicContact CB-CG1 4.42Å; R548-L559 CarbonylContact C-O 3.6Å; R548-L559 VanDerWaalsContact CA-O 3.29Å; R548-L559 WeakPolarHBondContact CA-O 3.27Å; R548-C561 PolarHBondContact N-SG 3.22Å; R548-C561 VanDerWaalsContact N-SG 3.39Å
549V94.6Very high89.7Confident0 Ų045.8 Ų45.80%024%0.237CC..EExtended strand (participates in β ladder)trans-116.8125.2167.4-178.90000108.7E543 I544 L559 V574 V576 V582E543-V549 CarbonylContact O-C 3.49Å; E543-V549 WeakPolarHBondContact O-CA 3.37Å; I544-V549 HydrophobicContact CG1-CG1 4Å; I544-V549 HydrophobicContact CG1-CG2 4.24Å; I544-V549 HydrophobicContact CG2-CG2 4.2Å; V549-L559 HydrophobicContact CB-CB 4.24Å; V549-L559 PolarHBondContact N-O 2.82Å; V549-L559 PolarHBondContact O-N 2.85Å; V549-V574 HydrophobicContact CG1-CG1 4.28Å; V549-V576 HydrophobicContact CG2-CG2 4Å; V549-V582 HydrophobicContact CG2-CB 4.45Å; V549-V582 HydrophobicContact CG2-CG1 4Å; V549-V582 HydrophobicContact CG2-CG2 3.63Å
550I93.3Very high89.7Confident1 Ų137.8 Ų37.81%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-100.6126.1170-60.5163.9000107.3L542 E543 R556 L557 V558L542-I550 CarbonylContact C-O 3.48Å; L542-I550 VanDerWaalsContact CA-O 3.22Å; L542-I550 WeakPolarHBondContact CA-O 3.27Å; E543-I550 HydrophobicContact CB-CB 4.24Å; E543-I550 PolarHBondContact N-O 3.26Å; E543-I550 PolarHBondContact O-N 3.43Å; I550-R556 HydrophobicContact CG2-CG 4.08Å; I550-L557 WeakPolarHBondContact CA-O 3.49Å; I550-V558 HydrophobicContact CG1-CG2 4.37Å
551L91.3Very high89.6Confident2 Ų237.3 Ų37.31%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-116.4114173171.264000109L542 L557 V567 L572 V574L542-L551 HydrophobicContact CD1-CD1 4Å; L542-L551 HydrophobicContact CD2-CD1 4.49Å; L542-L551 HydrophobicContact CG-CD1 3.86Å; L551-L557 PolarHBondContact N-O 2.85Å; L551-L557 PolarHBondContact O-N 2.89Å; L551-V567 HydrophobicContact CD2-CG1 3.89Å; L551-L572 HydrophobicContact CD1-CD2 3.83Å; L551-V574 HydrophobicContact CD1-CG2 4.43Å; L551-V574 HydrophobicContact CD2-CG2 4.21Å
552D88.3Confident89.2Confident34 Ų3438.6 Ų38.618%0.18222%0.219CC..EExtended strand (participates in β ladder)trans-119.7123176.8-170.4-9.4000110S540 Y541 G554S540-D552 CarbonylContact C-O 3.6Å; S540-D552 WeakPolarHBondContact CA-O 3.41Å; Y541-D552 HydrophobicContact CD1-CB 4.03Å; Y541-D552 HydrophobicContact CD2-CB 4.23Å; Y541-D552 HydrophobicContact CE1-CB 3.48Å; Y541-D552 VanDerWaalsContact CE1-CB 3.48Å; Y541-D552 WeakPolarHBondContact CE1-OD2 3.06Å; Y541-D552 HydrophobicContact CE2-CB 3.77Å; Y541-D552 HydrophobicContact CG-CB 4.39Å; Y541-D552 PolarHBondContact N-O 2.76Å; Y541-D552 PolarHBondContact O-N 2.79Å; Y541-D552 PolarHBondContact OH-OD2 3.49Å; D552-G554 PolarHBondContact OD1-N 3.48Å
553G77.6Confident88.6Confident14 Ų1440.6 Ų40.614%0.14423%0.228CC..SBendtrans-156.443.3-17600000110.4
554G75.8Confident88.2Confident71 Ų7140.4 Ų40.473%0.73223%0.232SC*.SBendtrans109.8-58.5-169.700000111.1D552D552-G554 PolarHBondContact OD1-N 3.48Å
555D76.4Confident87.8Confident52 Ų5240.6 Ų40.628%0.27823%0.233SC..SBendtrans-109122.2174.1-78-32.8000110.3P76 S321 K323P76-D555 HydrophobicContact CB-CB 3.87Å; P76-D555 HydrophobicContact CG-CB 3.68Å; S321-D555 PolarHBondContact OG-OD2 2.93Å; K323-D555 PolarHBondContact NZ-O 2.92Å
556R84.6Confident87.4Confident139 Ų13940.7 Ų40.753%0.52523%0.234SC..  trans-76.5126.3179.9-175.6175.7178.7171.52.5110.9I550I550-R556 HydrophobicContact CG2-CG 4.08Å
557L85.9Confident87.1Confident6 Ų639.7 Ų39.73%0.03123%0.228CC..EExtended strand (participates in β ladder)trans-118.6143.6172-68.8175.4000110.3L75 P76 K323 I550 L551 V567L75-L557 HydrophobicContact CD2-CD2 3.93Å; P76-L557 HydrophobicContact CG-CD2 3.98Å; K323-L557 HydrophobicContact CD-CD1 3.42Å; K323-L557 VanDerWaalsContact CD-CD1 3.42Å; K323-L557 HydrophobicContact CD-CG 4.33Å; I550-L557 WeakPolarHBondContact CA-O 3.49Å; L551-L557 PolarHBondContact N-O 2.85Å; L551-L557 PolarHBondContact O-N 2.89Å; L557-V567 HydrophobicContact CD1-CG1 3.85Å
558V88.6Confident86.8Confident70 Ų7035.7 Ų35.742%0.42420%0.2SC..EExtended strand (participates in β ladder)trans-119.7119.8174.4-173.80000108R548 I550R548-V558 HydrophobicContact CB-CG1 4.42Å; I550-V558 HydrophobicContact CG1-CG2 4.37Å
559L88.3Confident86.1Confident13 Ų1332 Ų327%0.06819%0.191CC..EExtended strand (participates in β ladder)trans-111.7128.2-177.1-51.2177.2000109.3R548 V549 V565 V567 V576R548-L559 CarbonylContact C-O 3.6Å; R548-L559 VanDerWaalsContact CA-O 3.29Å; R548-L559 WeakPolarHBondContact CA-O 3.27Å; V549-L559 HydrophobicContact CB-CB 4.24Å; V549-L559 PolarHBondContact N-O 2.82Å; V549-L559 PolarHBondContact O-N 2.85Å; L559-V565 HydrophobicContact CB-CG1 4.04Å; L559-V565 HydrophobicContact CD1-CG1 4.31Å; L559-V565 HydrophobicContact CD2-CG1 4.42Å; L559-V565 HydrophobicContact CD2-CG2 4.16Å; L559-V565 HydrophobicContact CG-CG1 4.49Å; L559-V567 HydrophobicContact CD1-CB 4.32Å; L559-V567 HydrophobicContact CD1-CG2 3.73Å; L559-V567 HydrophobicContact CD2-CG2 3.73Å; L559-V567 HydrophobicContact CG-CG2 4.38Å; L559-V576 HydrophobicContact CB-CG2 4.47Å; L559-V576 HydrophobicContact CD1-CG2 4.37Å
560P88Confident85.1Confident30 Ų3040.4 Ų40.420%0.19522%0.223CC..EExtended strand (participates in β ladder)trans-76.6142.8176.932.8-35.3000111N562 Q563P560-N562 WeakPolarHBondContact CB-OD1 3.45Å; P560-Q563 HydrophobicContact CG-CB 4.43Å
561C88.6Confident84.5Confident2 Ų241.9 Ų41.91%0.01424%0.238CC..THydrogen-bonded Turntrans-82.2-10.5180-73.70000114.4T545 P546 S547 R548 Q563 N579 I596T545-C561 PolarHBondContact O-SG 3.11Å; P546-C561 WeakPolarHBondContact O-CB 3.46Å; S547-C561 PolarHBondContact O-N 2.74Å; R548-C561 PolarHBondContact N-SG 3.22Å; R548-C561 VanDerWaalsContact N-SG 3.39Å; C561-Q563 VanDerWaalsContact C-N 3.27Å; C561-Q563 PolarHBondContact O-N 3.25Å; C561-N579 PolarHBondContact O-N 3.29Å; C561-I596 HydrophobicContact CB-CD1 3.82Å
562N85.9Confident84.4Confident91 Ų9142.1 Ų42.149%0.48724%0.24SC..THydrogen-bonded Turntrans-84.81.9-179.367.6-11.3000113.6P560 A578 N579P560-N562 WeakPolarHBondContact CB-OD1 3.45Å; N562-A578 WeakPolarHBondContact O-CB 3.32Å; N562-N579 WeakPolarHBondContact CA-OD1 3.23Å
563Q81.9Confident84.6Confident42 Ų4243 Ų4320%0.19624%0.243CC..SBendtrans-135.7156.2-175.7-73.1171.2-2.700111P560 C561 V576P560-Q563 HydrophobicContact CG-CB 4.43Å; C561-Q563 VanDerWaalsContact C-N 3.27Å; C561-Q563 PolarHBondContact O-N 3.25Å; Q563-V576 WeakPolarHBondContact O-CG1 3.45Å
564S88.5Confident85.3Confident46 Ų4642.3 Ų42.332%0.32224%0.236SC..EExtended strand (participates in β ladder)trans-90.3115.9179.5-63.70000110.3K328 V576 A578K328-S564 PolarHBondContact N-O 3.21Å; S564-V576 CarbonylContact C-O 3.53Å; S564-V576 WeakPolarHBondContact CA-O 3.47Å; S564-A578 PolarHBondContact OG-N 3.08Å
565V88.9Confident86.2Confident3 Ų340.3 Ų40.32%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-140.7136.1-177.954.10000110.9I325 I326 L327 L559 V567 S575 V576I325-V565 HydrophobicContact CG2-CG2 4.39Å; I326-V565 CarbonylContact O-C 3.58Å; I326-V565 WeakPolarHBondContact O-CA 3.41Å; L327-V565 HydrophobicContact CD2-CB 3.8Å; L327-V565 HydrophobicContact CD2-CG2 3.46Å; L327-V565 VanDerWaalsContact CD2-CG2 3.46Å; L559-V565 HydrophobicContact CB-CG1 4.04Å; L559-V565 HydrophobicContact CD1-CG1 4.31Å; L559-V565 HydrophobicContact CD2-CG1 4.42Å; L559-V565 HydrophobicContact CD2-CG2 4.16Å; L559-V565 HydrophobicContact CG-CG1 4.49Å; V565-V567 HydrophobicContact CG2-CG2 3.93Å; V565-S575 CarbonylContact O-C 3.53Å; V565-S575 WeakPolarHBondContact O-CA 3.36Å; V565-V576 HydrophobicContact CG1-CB 3.68Å; V565-V576 HydrophobicContact CG1-CG1 4.48Å; V565-V576 HydrophobicContact CG1-CG2 3.82Å; V565-V576 PolarHBondContact N-O 3.38Å; V565-V576 PolarHBondContact O-N 2.84Å
566V89.6Confident87Confident20 Ų2037.9 Ų37.912%0.12120%0.198CC..EExtended strand (participates in β ladder)trans-116125.5170.6-172.20000108.5I325 I326 E573 V574I325-V566 CarbonylContact C-O 3.49Å; I326-V566 HydrophobicContact CB-CB 4.21Å; I326-V566 PolarHBondContact N-O 3.45Å; I326-V566 PolarHBondContact O-N 2.83Å; V566-E573 HydrophobicContact CG1-CG 3.87Å; V566-V574 CarbonylContact C-O 3.44Å; V566-V574 WeakPolarHBondContact CA-O 3.19Å
567V88.2Confident87.2Confident0 Ų033.2 Ų33.20%019%0.186CC..EExtended strand (participates in β ladder)trans-121130.4172.5179.90000108.4K323 F324 I325 L551 L557 L559 V565 V574K323-V567 HydrophobicContact CB-CG1 4.32Å; K323-V567 HydrophobicContact CD-CG1 4.2Å; F324-V567 WeakPolarHBondContact O-CA 3.43Å; I325-V567 HydrophobicContact CG1-CG2 4.38Å; L551-V567 HydrophobicContact CD2-CG1 3.89Å; L557-V567 HydrophobicContact CD1-CG1 3.85Å; L559-V567 HydrophobicContact CD1-CB 4.32Å; L559-V567 HydrophobicContact CD1-CG2 3.73Å; L559-V567 HydrophobicContact CD2-CG2 3.73Å; L559-V567 HydrophobicContact CG-CG2 4.38Å; V565-V567 HydrophobicContact CG2-CG2 3.93Å; V567-V574 PolarHBondContact N-O 3.47Å; V567-V574 PolarHBondContact O-N 2.83Å
568G84.6Confident87.3Confident2 Ų234.7 Ų34.72%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-137.3157.2176.200000113.6K323 F324 L572K323-G568 CarbonylContact C-O 3.6Å; K323-G568 VanDerWaalsContact CA-O 3.24Å; K323-G568 WeakPolarHBondContact CA-O 3.33Å; F324-G568 VanDerWaalsContact CD1-O 3.24Å; F324-G568 WeakPolarHBondContact CD1-O 3.04Å; F324-G568 VanDerWaalsContact CE1-C 3.44Å; F324-G568 VanDerWaalsContact CZ-CA 3.48Å; F324-G568 PolarHBondContact N-O 2.86Å; F324-G568 PolarHBondContact O-N 3.28Å; F324-G568 VanDerWaalsContact O-N 3.08Å; G568-L572 CarbonylContact C-O 3.47Å; G568-L572 VanDerWaalsContact CA-O 3.3Å; G568-L572 WeakPolarHBondContact CA-O 3.28Å
569S80.3Confident87.3Confident34 Ų3435.5 Ų35.524%0.23820%0.201CC..EExtended strand (participates in β ladder)trans-145.3178.5175.659.30000109G571 L572S569-G571 PolarHBondContact O-N 2.76Å; S569-L572 PolarHBondContact N-O 2.89Å; S569-L572 PolarHBondContact O-N 3.24Å; S569-L572 VanDerWaalsContact O-N 3.13Å; S569-L572 PolarHBondContact OG-O 2.82Å
570W73.6Confident87.4Confident176 Ų17637 Ų3767%0.66722%0.216SC*.THydrogen-bonded Turntrans-55.2103.8-179.5-82.1-12.7000112.3I179 P537 L572I179-W570 HydrophobicContact CB-CZ2 4.3Å; I179-W570 HydrophobicContact CG2-CZ2 4.05Å; P537-W570 WeakPolarHBondContact CG-O 3.27Å; W570-L572 VanDerWaalsContact C-N 3.32Å; W570-L572 PolarHBondContact O-N 2.8Å
571G79.7Confident87.7Confident32 Ų3237.3 Ų37.333%0.3322%0.216SC..THydrogen-bonded Turntrans75.611.3177.500000115.3S569 I586 Q587S569-G571 PolarHBondContact O-N 2.76Å; G571-I586 CarbonylContact O-C 3.57Å; G571-I586 WeakPolarHBondContact O-CA 3.41Å; G571-Q587 PolarHBondContact O-N 3.47Å
572L89.7Confident88Confident8 Ų837.2 Ų37.24%0.04222%0.215CC..EExtended strand (participates in β ladder)trans-137.3122.8171.617560.8000110I534 L542 L551 G568 S569 W570 V574 V584 T585 I586I534-L572 HydrophobicContact CD1-CD1 3.52Å; I534-L572 HydrophobicContact CD1-CD2 3.94Å; I534-L572 HydrophobicContact CD1-CG 4.34Å; L542-L572 HydrophobicContact CD1-CD2 4.34Å; L551-L572 HydrophobicContact CD1-CD2 3.83Å; G568-L572 CarbonylContact C-O 3.47Å; G568-L572 VanDerWaalsContact CA-O 3.3Å; G568-L572 WeakPolarHBondContact CA-O 3.28Å; S569-L572 PolarHBondContact N-O 2.89Å; S569-L572 PolarHBondContact O-N 3.24Å; S569-L572 VanDerWaalsContact O-N 3.13Å; S569-L572 PolarHBondContact OG-O 2.82Å; W570-L572 VanDerWaalsContact C-N 3.32Å; W570-L572 PolarHBondContact O-N 2.8Å; L572-V574 HydrophobicContact CD1-CG2 4.33Å; L572-V574 HydrophobicContact CG-CG2 4.4Å; L572-V584 HydrophobicContact CD1-CG1 3.88Å; L572-T585 WeakPolarHBondContact CA-O 3.41Å; L572-I586 HydrophobicContact CD1-CG1 4.13Å
573E91.8Very high88.4Confident52 Ų5233.4 Ų33.424%0.24320%0.195CC..EExtended strand (participates in β ladder)trans-125.1135.1173.7-173.3-179.698.400109.8V566 V584 T585V566-E573 HydrophobicContact CG1-CG 3.87Å; E573-V584 CarbonylContact O-C 3.51Å; E573-V584 WeakPolarHBondContact O-CA 3.44Å; E573-T585 PolarHBondContact N-O 2.89Å; E573-T585 PolarHBondContact O-N 2.77Å
574V93.1Very high89.1Confident0 Ų031.4 Ų31.40%019%0.186CC..EExtended strand (participates in β ladder)trans-125.2118178.3-174.20000107.5L542 V549 L551 V566 V567 L572 V582 T583 V584L542-V574 HydrophobicContact CD2-CG1 4.09Å; L542-V574 HydrophobicContact CD2-CG2 3.57Å; V549-V574 HydrophobicContact CG1-CG1 4.28Å; L551-V574 HydrophobicContact CD1-CG2 4.43Å; L551-V574 HydrophobicContact CD2-CG2 4.21Å; V566-V574 CarbonylContact C-O 3.44Å; V566-V574 WeakPolarHBondContact CA-O 3.19Å; V567-V574 PolarHBondContact N-O 3.47Å; V567-V574 PolarHBondContact O-N 2.83Å; L572-V574 HydrophobicContact CD1-CG2 4.33Å; L572-V574 HydrophobicContact CG-CG2 4.4Å; V574-V582 HydrophobicContact CG1-CG1 4.02Å; V574-T583 CarbonylContact C-O 3.48Å; V574-T583 WeakPolarHBondContact CA-O 3.44Å; V574-V584 HydrophobicContact CG1-CG2 4.47Å
575S93.6Very high89.3Confident28 Ų2830.7 Ų30.720%0.19618%0.18CC..EExtended strand (participates in β ladder)trans-117.5119.5178.9177.40000109.5V565 V582 T583V565-S575 CarbonylContact O-C 3.53Å; V565-S575 WeakPolarHBondContact O-CA 3.36Å; S575-V582 CarbonylContact O-C 3.55Å; S575-V582 WeakPolarHBondContact O-CA 3.48Å; S575-T583 PolarHBondContact N-O 2.9Å; S575-T583 PolarHBondContact O-N 3.49Å
576V93.1Very high89.5Confident2 Ų230.6 Ų30.61%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-99.8126.5172.6-176.80000107.4V549 L559 Q563 S564 V565 V582V549-V576 HydrophobicContact CG2-CG2 4Å; L559-V576 HydrophobicContact CB-CG2 4.47Å; L559-V576 HydrophobicContact CD1-CG2 4.37Å; Q563-V576 WeakPolarHBondContact O-CG1 3.45Å; S564-V576 CarbonylContact C-O 3.53Å; S564-V576 WeakPolarHBondContact CA-O 3.47Å; V565-V576 HydrophobicContact CG1-CB 3.68Å; V565-V576 HydrophobicContact CG1-CG1 4.48Å; V565-V576 HydrophobicContact CG1-CG2 3.82Å; V565-V576 PolarHBondContact N-O 3.38Å; V565-V576 PolarHBondContact O-N 2.84Å; V576-V582 HydrophobicContact CG1-CG2 4.41Å; V576-V582 HydrophobicContact CG2-CG1 4.31Å; V576-V582 HydrophobicContact CG2-CG2 4.27Å
577S90.6Very high89.4Confident40 Ų4034.6 Ų34.628%0.2820%0.196SC..EExtended strand (participates in β ladder)trans-101.6121.5168.5-55.30000108.4N579 A580 N581S577-N579 PolarHBondContact O-N 3.07Å; S577-A580 PolarHBondContact O-N 3.04Å; S577-N581 VanDerWaalsContact CB-OD1 3.3Å; S577-N581 WeakPolarHBondContact CB-OD1 3.18Å; S577-N581 PolarHBondContact N-O 3.49Å; S577-N581 PolarHBondContact O-N 2.81Å; S577-N581 PolarHBondContact OG-OD1 2.89Å
578A87.4Confident89.2Confident38 Ų3837.5 Ų37.531%0.31423%0.226SC..THydrogen-bonded Turntrans-45.5119.7-173.700000113.3N562 S564 A580N562-A578 WeakPolarHBondContact O-CB 3.32Å; S564-A578 PolarHBondContact OG-N 3.08Å; A578-A580 PolarHBondContact O-N 3.47Å
579N88.4Confident89.4Confident86 Ų8638.9 Ų38.946%0.4624%0.236SC..THydrogen-bonded Turntrans56.715.2177.4-55.4-60.1000115.4C561 N562 S577 L598C561-N579 PolarHBondContact O-N 3.29Å; N562-N579 WeakPolarHBondContact CA-OD1 3.23Å; S577-N579 PolarHBondContact O-N 3.07Å; N579-L598 HydrophobicContact CB-CD1 3.94Å
580A90.8Very high90Very high46 Ų4637.4 Ų37.438%0.3823%0.225SC..THydrogen-bonded Turntrans-122-64.2-171.700000112S577 A578 I596S577-A580 PolarHBondContact O-N 3.04Å; A578-A580 PolarHBondContact O-N 3.47Å; A580-I596 PolarHBondContact O-N 3.44Å
581N93Very high91Very high36 Ų3629.6 Ų29.619%0.19320%0.198CC..EExtended strand (participates in β ladder)trans-157.1165.4-174.76441.8000113.6S577 V593 I594 L595S577-N581 VanDerWaalsContact CB-OD1 3.3Å; S577-N581 WeakPolarHBondContact CB-OD1 3.18Å; S577-N581 PolarHBondContact N-O 3.49Å; S577-N581 PolarHBondContact O-N 2.81Å; S577-N581 PolarHBondContact OG-OD1 2.89Å; N581-V593 HydrophobicContact CB-CG1 4.32Å; N581-I594 CarbonylContact C-O 3.54Å; N581-I594 WeakPolarHBondContact CA-O 3.38Å; N581-I594 WeakPolarHBondContact CB-O 3.36Å; N581-L595 HydrophobicContact CB-CD2 3.74Å
582V95.6Very high91.7Very high0 Ų028.1 Ų28.10%018%0.183CC..EExtended strand (participates in β ladder)trans-121.8123.6168.6-1760000107.8I544 V549 V574 S575 V576 V584 I594 I596I544-V582 HydrophobicContact CD1-CG1 4.23Å; I544-V582 HydrophobicContact CG2-CG2 4.13Å; V549-V582 HydrophobicContact CG2-CB 4.45Å; V549-V582 HydrophobicContact CG2-CG1 4Å; V549-V582 HydrophobicContact CG2-CG2 3.63Å; V574-V582 HydrophobicContact CG1-CG1 4.02Å; S575-V582 CarbonylContact O-C 3.55Å; S575-V582 WeakPolarHBondContact O-CA 3.48Å; V576-V582 HydrophobicContact CG1-CG2 4.41Å; V576-V582 HydrophobicContact CG2-CG1 4.31Å; V576-V582 HydrophobicContact CG2-CG2 4.27Å; V582-V584 HydrophobicContact CG1-CG2 4.28Å; V582-I594 HydrophobicContact CB-CB 4.26Å; V582-I594 PolarHBondContact N-O 2.78Å; V582-I594 WeakPolarHBondContact O-CD1 3.38Å; V582-I594 PolarHBondContact O-N 3.42Å; V582-I596 HydrophobicContact CG2-CD1 4.09Å
583T95.2Very high91.9Very high11 Ų1127.8 Ų27.87%0.06718%0.181CC..EExtended strand (participates in β ladder)trans-103132.6172.8-570000109.4I457 V574 S575 F592 V593I457-T583 HydrophobicContact CD1-CG2 3.45Å; I457-T583 VanDerWaalsContact CD1-CG2 3.45Å; V574-T583 CarbonylContact C-O 3.48Å; V574-T583 WeakPolarHBondContact CA-O 3.44Å; S575-T583 PolarHBondContact N-O 2.9Å; S575-T583 PolarHBondContact O-N 3.49Å; T583-F592 CarbonylContact C-O 3.53Å; T583-F592 VanDerWaalsContact CA-O 3.31Å; T583-F592 WeakPolarHBondContact CA-O 3.42Å; T583-V593 HydrophobicContact CG2-CG2 4.4Å
584V95.1Very high92.1Very high0 Ų025.3 Ų25.30%017%0.17CC..EExtended strand (participates in β ladder)trans-122.2116.2176.4-176.90000108.5I532 L542 I544 L572 E573 V574 V582 I586 A591 F592 I594I532-V584 HydrophobicContact CD1-CB 4.25Å; I532-V584 HydrophobicContact CD1-CG1 4.36Å; I532-V584 HydrophobicContact CD1-CG2 3.95Å; L542-V584 HydrophobicContact CD2-CG1 4.02Å; L542-V584 HydrophobicContact CD2-CG2 3.67Å; I544-V584 HydrophobicContact CD1-CG2 4.29Å; L572-V584 HydrophobicContact CD1-CG1 3.88Å; E573-V584 CarbonylContact O-C 3.51Å; E573-V584 WeakPolarHBondContact O-CA 3.44Å; V574-V584 HydrophobicContact CG1-CG2 4.47Å; V582-V584 HydrophobicContact CG1-CG2 4.28Å; V584-I586 HydrophobicContact CG1-CG1 4.25Å; V584-A591 CarbonylContact O-C 3.47Å; V584-A591 WeakPolarHBondContact O-CA 3.48Å; V584-F592 HydrophobicContact CB-CB 4.49Å; V584-F592 PolarHBondContact N-O 2.86Å; V584-F592 PolarHBondContact O-N 3.29Å; V584-I594 HydrophobicContact CG2-CD1 4.05Å
585T93.8Very high92.1Very high31 Ų3126.1 Ų26.119%0.1917%0.174CC..EExtended strand (participates in β ladder)trans-112.2125.4-179.7-53.50000109.6L572 E573 I590L572-T585 WeakPolarHBondContact CA-O 3.41Å; E573-T585 PolarHBondContact N-O 2.89Å; E573-T585 PolarHBondContact O-N 2.77Å; T585-I590 CarbonylContact C-O 3.57Å; T585-I590 WeakPolarHBondContact CA-O 3.27Å
586I92.9Very high92.1Very high1 Ų124.9 Ų24.91%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-119.9124.2-176.8-45169.3000108.3V504 I534 G571 L572 V584 G588 S589 I590 F592V504-I586 HydrophobicContact CG1-CD1 4.19Å; V504-I586 HydrophobicContact CG2-CD1 3.77Å; I534-I586 HydrophobicContact CD1-CD1 3.59Å; I534-I586 HydrophobicContact CD1-CG1 3.81Å; I534-I586 HydrophobicContact CG1-CD1 3.85Å; I534-I586 HydrophobicContact CG2-CG2 4.03Å; G571-I586 CarbonylContact O-C 3.57Å; G571-I586 WeakPolarHBondContact O-CA 3.41Å; L572-I586 HydrophobicContact CD1-CG1 4.13Å; V584-I586 HydrophobicContact CG1-CG1 4.25Å; I586-G588 PolarHBondContact O-N 3.14Å; I586-S589 PolarHBondContact O-N 3.36Å; I586-I590 HydrophobicContact CB-CB 4.15Å; I586-I590 HydrophobicContact CD1-CG2 4.44Å; I586-I590 PolarHBondContact N-O 3.12Å; I586-I590 PolarHBondContact O-N 3.22Å; I586-F592 HydrophobicContact CD1-CD2 4.39Å; I586-F592 HydrophobicContact CD1-CE2 3.89Å
587Q87.4Confident92Very high103 Ų10325 Ų2548%0.48117%0.165SC..THydrogen-bonded Turntrans51.314.9-177.5-63.9-176.1-18.300115.3G571 S589G571-Q587 PolarHBondContact O-N 3.47Å; Q587-S589 PolarHBondContact O-N 3.34Å
588G84.4Confident91.9Very high61 Ų6126.7 Ų26.763%0.62917%0.171SC*.THydrogen-bonded Turntrans74.1-7-17500000115.1I586I586-G588 PolarHBondContact O-N 3.14Å
589S88.9Confident92Very high32 Ų3227.9 Ų27.922%0.22417%0.167CC..THydrogen-bonded Turntrans-110.2-16.6-175.356.50000113.9I586 Q587 N616 E618 G619I586-S589 PolarHBondContact O-N 3.36Å; Q587-S589 PolarHBondContact O-N 3.34Å; S589-N616 VanDerWaalsContact O-CG 3.28Å; S589-N616 PolarHBondContact O-ND2 2.95Å; S589-N616 PolarHBondContact O-OD1 3.07Å; S589-E618 PolarHBondContact O-N 3.39Å; S589-G619 PolarHBondContact O-N 3.35Å; S589-G619 WeakPolarHBondContact OG-CA 3.04Å
590I92.6Very high91.7Very high2 Ų233.9 Ų33.91%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-117.6131.6173.9-51.6171.5000107.7V504 T585 I586 F592 N616 L620V504-I590 HydrophobicContact CG2-CD1 3.86Å; T585-I590 CarbonylContact C-O 3.57Å; T585-I590 WeakPolarHBondContact CA-O 3.27Å; I586-I590 HydrophobicContact CB-CB 4.15Å; I586-I590 HydrophobicContact CD1-CG2 4.44Å; I586-I590 PolarHBondContact N-O 3.12Å; I586-I590 PolarHBondContact O-N 3.22Å; I590-F592 HydrophobicContact CG2-CE1 3.83Å; I590-F592 HydrophobicContact CG2-CE2 3.83Å; I590-F592 HydrophobicContact CG2-CZ 3.44Å; I590-F592 VanDerWaalsContact CG2-CZ 3.44Å; I590-N616 WeakPolarHBondContact CA-O 3.42Å; I590-L620 HydrophobicContact CD1-CD2 3.85Å; I590-L620 HydrophobicContact CD1-CG 4.19Å; I590-L620 HydrophobicContact CG1-CD2 4.47Å; I590-L620 HydrophobicContact CG1-CG 4.3Å; I590-L620 HydrophobicContact CG2-CD2 4.43Å; I590-L620 HydrophobicContact CG2-CG 4.35Å
591A93.6Very high91.4Very high13 Ų1341 Ų4111%0.10721%0.212CC..EExtended strand (participates in β ladder)trans-137.5128.9175.400000110.7V584 A615 N616V584-A591 CarbonylContact O-C 3.47Å; V584-A591 WeakPolarHBondContact O-CA 3.48Å; A591-A615 HydrophobicContact CB-CB 4.1Å; A591-A615 WeakPolarHBondContact O-CA 3.33Å; A591-A615 PolarHBondContact O-N 3.16Å; A591-N616 HydrophobicContact CB-CB 3.82Å; A591-N616 PolarHBondContact N-O 2.62Å; A591-N616 PolarHBondContact O-N 3.39Å
592F95.1Very high91.1Very high0 Ų042.4 Ų42.40%022%0.223CC..EExtended strand (participates in β ladder)trans-114.4140.4173.1-55.3-51.9000110V504 V506 I532 T583 V584 I586 I590 I594 F612 Y613 I614V504-F592 HydrophobicContact CG1-CE2 3.71Å; V504-F592 HydrophobicContact CG1-CZ 3.82Å; V506-F592 HydrophobicContact CG2-CD2 4.45Å; V506-F592 HydrophobicContact CG2-CE2 3.95Å; V506-F592 HydrophobicContact CG2-CZ 4.12Å; I532-F592 HydrophobicContact CD1-CD2 4.12Å; I532-F592 HydrophobicContact CG2-CE2 4.44Å; T583-F592 CarbonylContact C-O 3.53Å; T583-F592 VanDerWaalsContact CA-O 3.31Å; T583-F592 WeakPolarHBondContact CA-O 3.42Å; V584-F592 HydrophobicContact CB-CB 4.49Å; V584-F592 PolarHBondContact N-O 2.86Å; V584-F592 PolarHBondContact O-N 3.29Å; I586-F592 HydrophobicContact CD1-CD2 4.39Å; I586-F592 HydrophobicContact CD1-CE2 3.89Å; I590-F592 HydrophobicContact CG2-CE1 3.83Å; I590-F592 HydrophobicContact CG2-CE2 3.83Å; I590-F592 HydrophobicContact CG2-CZ 3.44Å; I590-F592 VanDerWaalsContact CG2-CZ 3.44Å; F592-I594 HydrophobicContact CB-CD1 4.2Å; F592-F612 HydrophobicContact CB-CE2 3.81Å; F592-F612 HydrophobicContact CB-CZ 4.3Å; F592-F612 AromaticContact CD1-CE2 3.94Å; F592-F612 HydrophobicContact CD1-CE2 3.94Å; F592-F612 AromaticContact CD1-CZ 3.54Å; F592-F612 HydrophobicContact CD1-CZ 3.54Å; F592-F612 HydrophobicContact CD2-CE2 4.46Å; F592-F612 AromaticContact CE1-CZ 3.96Å; F592-F612 HydrophobicContact CE1-CZ 3.96Å; F592-F612 AromaticContact CG-CE2 3.82Å; F592-F612 HydrophobicContact CG-CE2 3.82Å; F592-F612 AromaticContact CG-CZ 3.9Å; F592-F612 HydrophobicContact CG-CZ 3.9Å; F592-Y613 WeakPolarHBondContact CA-O 3.32Å; F592-I614 HydrophobicContact CD1-CG1 4.31Å; F592-I614 HydrophobicContact CD1-CG2 4.48Å; F592-I614 HydrophobicContact CE1-CG1 4.31Å; F592-I614 HydrophobicContact CE1-CG2 4.31Å
593V94.4Very high90.6Very high2 Ų243.8 Ų43.81%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-117.6124.9172.6174.80000108.1I457 I459 N581 T583 L595 Y613 A615I457-V593 HydrophobicContact CD1-CG2 4.18Å; I457-V593 HydrophobicContact CG2-CG2 3.9Å; I459-V593 HydrophobicContact CD1-CG1 4.38Å; N581-V593 HydrophobicContact CB-CG1 4.32Å; T583-V593 HydrophobicContact CG2-CG2 4.4Å; V593-L595 HydrophobicContact CG1-CD2 3.98Å; V593-Y613 PolarHBondContact N-O 3.31Å; V593-Y613 WeakPolarHBondContact O-CB 3.13Å; V593-Y613 WeakPolarHBondContact O-CD2 3.42Å; V593-Y613 PolarHBondContact O-N 2.85Å; V593-A615 HydrophobicContact CG2-CB 3.86Å
594I95.6Very high90.1Very high0 Ų048.2 Ų48.20%026%0.264CS..EExtended strand (participates in β ladder)trans-112.1110.1178.8-59.685000107.3I530 I532 I544 N581 V582 V584 F592 L610 G611 F612I530-I594 HydrophobicContact CD1-CG1 4.17Å; I530-I594 HydrophobicContact CD1-CG2 3.63Å; I532-I594 HydrophobicContact CD1-CD1 4.18Å; I544-I594 HydrophobicContact CD1-CD1 3.73Å; I544-I594 HydrophobicContact CD1-CG1 3.91Å; I544-I594 HydrophobicContact CG2-CG2 3.98Å; N581-I594 CarbonylContact C-O 3.54Å; N581-I594 WeakPolarHBondContact CA-O 3.38Å; N581-I594 WeakPolarHBondContact CB-O 3.36Å; V582-I594 HydrophobicContact CB-CB 4.26Å; V582-I594 PolarHBondContact N-O 2.78Å; V582-I594 WeakPolarHBondContact O-CD1 3.38Å; V582-I594 PolarHBondContact O-N 3.42Å; V584-I594 HydrophobicContact CG2-CD1 4.05Å; F592-I594 HydrophobicContact CB-CD1 4.2Å; I594-L610 HydrophobicContact CG2-CB 4.07Å; I594-L610 HydrophobicContact CG2-CD1 4.26Å; I594-L610 HydrophobicContact CG2-CD2 4.08Å; I594-L610 HydrophobicContact CG2-CG 4.37Å; I594-G611 CarbonylContact C-O 3.5Å; I594-G611 WeakPolarHBondContact CA-O 3.29Å; I594-F612 HydrophobicContact CG1-CD2 4.12Å
595L93.3Very high89.6Confident16 Ų1650.7 Ų50.78%0.08428%0.275CS..EExtended strand (participates in β ladder)trans-81.7144.2177.7-61.8-178000110.7N581 V593 L610 G611 Y613 Y682N581-L595 HydrophobicContact CB-CD2 3.74Å; V593-L595 HydrophobicContact CG1-CD2 3.98Å; L595-L610 CarbonylContact O-C 3.56Å; L595-L610 VanDerWaalsContact O-CA 3.25Å; L595-L610 WeakPolarHBondContact O-CA 3.07Å; L595-G611 PolarHBondContact N-O 3.42Å; L595-G611 PolarHBondContact O-N 2.97Å; L595-Y613 HydrophobicContact CB-CE2 4.13Å; L595-Y613 HydrophobicContact CD1-CD2 4.05Å; L595-Y613 HydrophobicContact CD1-CE1 4.49Å; L595-Y613 HydrophobicContact CD1-CE2 3.24Å; L595-Y613 HydrophobicContact CG-CD2 3.89Å; L595-Y613 HydrophobicContact CG-CE2 3.48Å; L595-Y613 VanDerWaalsContact CG-CE2 3.48Å; L595-Y682 HydrophobicContact CD1-CD1 3.67Å; L595-Y682 HydrophobicContact CD1-CE1 4.29Å
596I92.8Very high89.4Confident2 Ų251.7 Ų51.71%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-109.9121.3179.3-55.2167.7000109.1P546 C561 A580 V582 L598 L610P546-I596 HydrophobicContact CB-CG2 4.05Å; C561-I596 HydrophobicContact CB-CD1 3.82Å; A580-I596 PolarHBondContact O-N 3.44Å; V582-I596 HydrophobicContact CG2-CD1 4.09Å; I596-L598 HydrophobicContact CG2-CD1 4.37Å; I596-L598 HydrophobicContact CG2-CD2 3.79Å; I596-L598 HydrophobicContact CG2-CG 3.85Å; I596-L610 HydrophobicContact CG1-CD2 4.1Å
597H90.4Very high89.2Confident5 Ų557.1 Ų57.12%0.02330%0.297CS..EExtended strand (participates in β ladder)trans-103104.9-178.9-63.9-73.4000111.3D465 H608 H609 N683D465-H597 IonicContact OD1-CD2 2.71Å; D465-H597 PolarHBondContact OD1-CD2 3.36Å; D465-H597 IonicContact OD1-CE1 3.02Å; D465-H597 IonicContact OD1-NE2 2.62Å; D465-H597 PolarHBondContact OD1-NE2 2.97Å; D465-H597 IonicContact OD2-CE1 3.62Å; D465-H597 PolarHBondContact OD2-CE1 3.37Å; D465-H597 IonicContact OD2-NE2 3.49Å; D465-H597 PolarHBondContact OD2-NE2 2.97Å; H597-H608 WeakPolarHBondContact O-CA 3.08Å; H597-H608 PolarHBondContact O-ND1 3.29Å; H597-H609 VanDerWaalsContact CB-CE1 3.44Å; H597-H609 WeakPolarHBondContact CB-CE1 3.34Å; H597-H609 WeakPolarHBondContact CB-O 3.48Å; H597-H609 AromaticContact CD2-CD2 3.4Å; H597-H609 PolarHBondContact CD2-CD2 2.92Å; H597-H609 AromaticContact CD2-CE1 3.83Å; H597-H609 AromaticContact CD2-NE2 3.28Å; H597-H609 PolarHBondContact CD2-NE2 3.27Å; H597-H609 VanDerWaalsContact CD2-NE2 3.28Å; H597-H609 AromaticContact CG-CD2 3.98Å; H597-H609 AromaticContact CG-CE1 3.67Å; H597-H609 AromaticContact CG-NE2 3.57Å; H597-H609 PolarHBondContact N-O 3.19Å; H597-H609 AromaticContact NE2-NE2 3.86Å; H597-H609 PolarHBondContact O-N 2.85Å; H597-N683 PolarHBondContact CE1-OD1 3.44Å; H597-N683 VanDerWaalsContact CE1-OD1 3.3Å; H597-N683 VanDerWaalsContact ND1-CG 3.29Å; H597-N683 PolarHBondContact ND1-ND2 3.25Å; H597-N683 PolarHBondContact ND1-OD1 3.07Å
598L89.8Confident89.4Confident76 Ų7656.4 Ų56.440%0.39829%0.294SS..  trans-108.2119.5-177.8-58.6-179.2000113.3P546 N579 I596 H608P546-L598 HydrophobicContact CB-CD2 4.13Å; N579-L598 HydrophobicContact CB-CD1 3.94Å; I596-L598 HydrophobicContact CG2-CD1 4.37Å; I596-L598 HydrophobicContact CG2-CD2 3.79Å; I596-L598 HydrophobicContact CG2-CG 3.85Å; L598-H608 WeakPolarHBondContact CA-ND1 3.31Å
599Y88.1Confident89.9Confident62 Ų6253.7 Ų53.724%0.24327%0.265CS..  trans-102123.6175.1-61-77.8000111.9P602 Q606 R607 H608 H609Y599-P602 HydrophobicContact CG-CB 4.41Å; Y599-Q606 HydrophobicContact CD2-CB 4.28Å; Y599-Q606 HydrophobicContact CE1-CG 4.35Å; Y599-Q606 HydrophobicContact CE2-CB 4.29Å; Y599-Q606 HydrophobicContact CG-CB 4.4Å; Y599-R607 WeakPolarHBondContact CE2-O 3.2Å; Y599-H608 PolarHBondContact N-CE1 3.37Å; Y599-H608 PolarHBondContact N-ND1 3.36Å; Y599-H608 VanDerWaalsContact N-ND1 3.18Å; Y599-H608 PolarHBondContact O-CE1 2.71Å; Y599-H609 AromaticContact CE2-CE1 3.96Å; Y599-H609 AromaticContact CE2-ND1 3.88Å; Y599-H609 PolarHBondContact OH-CE1 3.3Å
600K83.4Confident90.2Very high213 Ų21352.2 Ų52.293%0.92625%0.254SS*.SBendtrans-73.3-34.6175.5-67.3-176.9-179.9178.60113.3
601K84.4Confident90.3Very high194 Ų19452.1 Ų52.184%0.84325%0.254SS*.SBendtrans-13974.5179.5-66.5-174.5-178.6-178.20109.1A603K601-A603 PolarHBondContact O-N 3.2Å
602P85.4Confident90.3Very high67 Ų6751.5 Ų51.544%0.43525%0.249SC..  trans-65.7134.2-175.325.2-31.8000111.2Y599 Q606Y599-P602 HydrophobicContact CG-CB 4.41Å; P602-Q606 HydrophobicContact CB-CB 3.86Å
603A85.8Confident90.2Very high29 Ų2951.5 Ų51.524%0.2425%0.249CC..  trans-63.8162.4163.400000110.3K601 F605 Q606K601-A603 PolarHBondContact O-N 3.2Å; A603-F605 HydrophobicContact CB-CD1 4.13Å; A603-F605 HydrophobicContact CB-CD2 4.43Å; A603-F605 HydrophobicContact CB-CE1 3.68Å; A603-F605 HydrophobicContact CB-CE2 4Å; A603-F605 HydrophobicContact CB-CG 4.48Å; A603-F605 HydrophobicContact CB-CZ 3.6Å; A603-F605 PolarHBondContact O-N 3.37Å; A603-Q606 HydrophobicContact CB-CG 4.26Å; A603-Q606 PolarHBondContact O-N 2.91Å
604P84.6Confident90.1Very high104 Ų10451.5 Ų51.568%0.67525%0.248SC*.THydrogen-bonded Turntrans-54-30.2-177.4-28.435.7000114.6P514P514-P604 WeakPolarHBondContact CD-O 3.26Å; P514-P604 WeakPolarHBondContact CG-O 3.49Å
605F85.6Confident89.8Confident52 Ų5252.3 Ų52.323%0.22826%0.255CS..THydrogen-bonded Turntrans-91.35.5179.754.7-98.3000114.2P514 P516 Y526 A603P514-F605 VanDerWaalsContact O-CA 3.28Å; P514-F605 WeakPolarHBondContact O-CA 3.41Å; P514-F605 WeakPolarHBondContact O-CB 3.38Å; P516-F605 HydrophobicContact CB-CD1 4.1Å; P516-F605 HydrophobicContact CB-CE1 4.31Å; P516-F605 HydrophobicContact CB-CG 4.26Å; P516-F605 HydrophobicContact CG-CB 4.27Å; P516-F605 HydrophobicContact CG-CD1 4.36Å; P516-F605 HydrophobicContact CG-CD2 4.14Å; P516-F605 HydrophobicContact CG-CG 4Å; Y526-F605 PolarHBondContact OH-O 2.85Å; A603-F605 HydrophobicContact CB-CD1 4.13Å; A603-F605 HydrophobicContact CB-CD2 4.43Å; A603-F605 HydrophobicContact CB-CE1 3.68Å; A603-F605 HydrophobicContact CB-CE2 4Å; A603-F605 HydrophobicContact CB-CG 4.48Å; A603-F605 HydrophobicContact CB-CZ 3.6Å; A603-F605 PolarHBondContact O-N 3.37Å
606Q88.1Confident89.6Confident51 Ų5153.6 Ų53.624%0.23826%0.262CS..  trans-107.9137.4178.8-69.4177.7-40.100110.7Y599 P602 A603Y599-Q606 HydrophobicContact CD2-CB 4.28Å; Y599-Q606 HydrophobicContact CE1-CG 4.35Å; Y599-Q606 HydrophobicContact CE2-CB 4.29Å; Y599-Q606 HydrophobicContact CG-CB 4.4Å; P602-Q606 HydrophobicContact CB-CB 3.86Å; A603-Q606 HydrophobicContact CB-CG 4.26Å; A603-Q606 PolarHBondContact O-N 2.91Å
607R89.5Confident89.5Confident116 Ų11655.5 Ų55.544%0.43828%0.276SS..  trans-134.2146.6174.3-64.1-66.4-167.8-173.90.1109A513 Y526 Y599 H609A513-R607 HydrophobicContact CB-CG 3.77Å; Y526-R607 HydrophobicContact CD2-CB 4.21Å; Y526-R607 HydrophobicContact CD2-CG 4.49Å; Y599-R607 WeakPolarHBondContact CE2-O 3.2Å; R607-H609 PolarHBondContact O-N 2.82Å; R607-H609 PolarHBondContact O-ND1 2.99Å
608H92.4Very high89.4Confident88 Ų8863 Ų6341%0.40731%0.311SS..  trans-56.2129.6163.4-64-55.5000109P546 H597 L598 Y599P546-H608 HydrophobicContact CB-CB 4.08Å; P546-H608 HydrophobicContact CG-CB 4.11Å; H597-H608 WeakPolarHBondContact O-CA 3.08Å; H597-H608 PolarHBondContact O-ND1 3.29Å; L598-H608 WeakPolarHBondContact CA-ND1 3.31Å; Y599-H608 PolarHBondContact N-CE1 3.37Å; Y599-H608 PolarHBondContact N-ND1 3.36Å; Y599-H608 VanDerWaalsContact N-ND1 3.18Å; Y599-H608 PolarHBondContact O-CE1 2.71Å
609H93.8Very high89.3Confident4 Ų460.6 Ų60.62%0.01931%0.305CS..EExtended strand (participates in β ladder)trans-151.3175.8-174.666.2-80.1000111.6D465 Y526 L527 H597 Y599 R607D465-H609 IonicContact OD1-CD2 3.31Å; D465-H609 IonicContact OD1-NE2 3.58Å; Y526-H609 HydrophobicContact CD1-CB 4.12Å; Y526-H609 AromaticContact CD1-CD2 3.64Å; Y526-H609 AromaticContact CD1-CE1 3.86Å; Y526-H609 AromaticContact CD1-CG 3.6Å; Y526-H609 AromaticContact CD1-ND1 3.73Å; Y526-H609 AromaticContact CD1-NE2 3.79Å; Y526-H609 AromaticContact CE1-CE1 3.94Å; Y526-H609 HydrophobicContact CG-CB 4.06Å; L527-H609 CarbonylContact O-C 3.51Å; L527-H609 WeakPolarHBondContact O-CA 3.47Å; L527-H609 WeakPolarHBondContact O-CB 3.42Å; H597-H609 VanDerWaalsContact CB-CE1 3.44Å; H597-H609 WeakPolarHBondContact CB-CE1 3.34Å; H597-H609 WeakPolarHBondContact CB-O 3.48Å; H597-H609 AromaticContact CD2-CD2 3.4Å; H597-H609 PolarHBondContact CD2-CD2 2.92Å; H597-H609 AromaticContact CD2-CE1 3.83Å; H597-H609 AromaticContact CD2-NE2 3.28Å; H597-H609 PolarHBondContact CD2-NE2 3.27Å; H597-H609 VanDerWaalsContact CD2-NE2 3.28Å; H597-H609 AromaticContact CG-CD2 3.98Å; H597-H609 AromaticContact CG-CE1 3.67Å; H597-H609 AromaticContact CG-NE2 3.57Å; H597-H609 PolarHBondContact N-O 3.19Å; H597-H609 AromaticContact NE2-NE2 3.86Å; H597-H609 PolarHBondContact O-N 2.85Å; Y599-H609 AromaticContact CE2-CE1 3.96Å; Y599-H609 AromaticContact CE2-ND1 3.88Å; Y599-H609 PolarHBondContact OH-CE1 3.3Å; R607-H609 PolarHBondContact O-N 2.82Å; R607-H609 PolarHBondContact O-ND1 2.99Å
610L95.6Very high89.5Confident1 Ų158.3 Ų58.31%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-116.4147.1-179.4-56.4175000110.8L527 I530 I544 P546 I594 L595 I596L527-L610 HydrophobicContact CB-CB 4.35Å; L527-L610 WeakPolarHBondContact CB-O 3.35Å; L527-L610 PolarHBondContact O-N 2.98Å; I530-L610 HydrophobicContact CB-CD1 4.33Å; I530-L610 HydrophobicContact CD1-CB 3.73Å; I530-L610 HydrophobicContact CD1-CD1 3.97Å; I530-L610 HydrophobicContact CG1-CB 4.46Å; I530-L610 HydrophobicContact CG1-CD1 4.06Å; I544-L610 HydrophobicContact CG2-CD1 4.1Å; I544-L610 VanDerWaalsContact O-CD1 3.27Å; I544-L610 WeakPolarHBondContact O-CD1 3.34Å; P546-L610 HydrophobicContact CG-CD2 4.05Å; P546-L610 HydrophobicContact CG-CG 4.27Å; I594-L610 HydrophobicContact CG2-CB 4.07Å; I594-L610 HydrophobicContact CG2-CD1 4.26Å; I594-L610 HydrophobicContact CG2-CD2 4.08Å; I594-L610 HydrophobicContact CG2-CG 4.37Å; L595-L610 CarbonylContact O-C 3.56Å; L595-L610 VanDerWaalsContact O-CA 3.25Å; L595-L610 WeakPolarHBondContact O-CA 3.07Å; I596-L610 HydrophobicContact CG1-CD2 4.1Å
611G93.8Very high89.9Confident0 Ų049.2 Ų49.20%026%0.26CS..EExtended strand (participates in β ladder)trans-109.5144.9162.100000109.6V464 D465 I594 L595V464-G611 CarbonylContact O-C 3.58Å; V464-G611 WeakPolarHBondContact O-CA 3.33Å; D465-G611 WeakPolarHBondContact OD1-CA 3.47Å; I594-G611 CarbonylContact C-O 3.5Å; I594-G611 WeakPolarHBondContact CA-O 3.29Å; L595-G611 PolarHBondContact N-O 3.42Å; L595-G611 PolarHBondContact O-N 2.97Å
612F95.4Very high90.1Very high0 Ų044.3 Ų44.30%025%0.25CC..EExtended strand (participates in β ladder)trans-118.4130.6178.9175.7-97.1000110.9S463 V464 L495 V496 V506 I530 F592 I594 I614 L628S463-F612 CarbonylContact C-O 3.52Å; S463-F612 WeakPolarHBondContact CA-O 3.47Å; S463-F612 WeakPolarHBondContact CB-O 3.38Å; V464-F612 HydrophobicContact CG1-CB 3.8Å; V464-F612 HydrophobicContact CG1-CD1 4.34Å; V464-F612 PolarHBondContact N-O 3.39Å; V464-F612 PolarHBondContact O-N 2.94Å; L495-F612 HydrophobicContact CB-CE1 4.49Å; L495-F612 HydrophobicContact CD1-CB 4.12Å; L495-F612 HydrophobicContact CD1-CD1 3.92Å; L495-F612 HydrophobicContact CD1-CG 3.99Å; V496-F612 HydrophobicContact CG2-CE1 3.96Å; V496-F612 HydrophobicContact CG2-CZ 4.15Å; V506-F612 HydrophobicContact CB-CE2 4.48Å; V506-F612 HydrophobicContact CB-CZ 4.25Å; V506-F612 HydrophobicContact CG1-CD2 4.14Å; V506-F612 HydrophobicContact CG1-CE1 4.46Å; V506-F612 HydrophobicContact CG1-CE2 3.67Å; V506-F612 HydrophobicContact CG1-CZ 3.85Å; V506-F612 HydrophobicContact CG2-CE2 4.28Å; V506-F612 HydrophobicContact CG2-CZ 4.04Å; I530-F612 HydrophobicContact CD1-CB 3.84Å; I530-F612 HydrophobicContact CD1-CD2 4.39Å; I530-F612 HydrophobicContact CG2-CD2 4.3Å; F592-F612 HydrophobicContact CB-CE2 3.81Å; F592-F612 HydrophobicContact CB-CZ 4.3Å; F592-F612 AromaticContact CD1-CE2 3.94Å; F592-F612 HydrophobicContact CD1-CE2 3.94Å; F592-F612 AromaticContact CD1-CZ 3.54Å; F592-F612 HydrophobicContact CD1-CZ 3.54Å; F592-F612 HydrophobicContact CD2-CE2 4.46Å; F592-F612 AromaticContact CE1-CZ 3.96Å; F592-F612 HydrophobicContact CE1-CZ 3.96Å; F592-F612 AromaticContact CG-CE2 3.82Å; F592-F612 HydrophobicContact CG-CE2 3.82Å; F592-F612 AromaticContact CG-CZ 3.9Å; F592-F612 HydrophobicContact CG-CZ 3.9Å; I594-F612 HydrophobicContact CG1-CD2 4.12Å; F612-I614 HydrophobicContact CE1-CD1 4.31Å; F612-I614 HydrophobicContact CE1-CG1 3.7Å; F612-I614 HydrophobicContact CZ-CG1 4.14Å; F612-L628 HydrophobicContact CD1-CD1 3.7Å; F612-L628 HydrophobicContact CE1-CD1 3.94Å
613Y93Very high90.2Very high0 Ų046.4 Ų46.40%026%0.257CS..EExtended strand (participates in β ladder)trans-133.4135.3-175-61.5-103.4000110.3I459 D465 F592 V593 L595 A615 Y682I459-Y613 HydrophobicContact CG2-CD1 3.8Å; I459-Y613 HydrophobicContact CG2-CG 3.94Å; D465-Y613 PolarHBondContact OD2-OH 3.31Å; F592-Y613 WeakPolarHBondContact CA-O 3.32Å; V593-Y613 PolarHBondContact N-O 3.31Å; V593-Y613 WeakPolarHBondContact O-CB 3.13Å; V593-Y613 WeakPolarHBondContact O-CD2 3.42Å; V593-Y613 PolarHBondContact O-N 2.85Å; L595-Y613 HydrophobicContact CB-CE2 4.13Å; L595-Y613 HydrophobicContact CD1-CD2 4.05Å; L595-Y613 HydrophobicContact CD1-CE1 4.49Å; L595-Y613 HydrophobicContact CD1-CE2 3.24Å; L595-Y613 HydrophobicContact CG-CD2 3.89Å; L595-Y613 HydrophobicContact CG-CE2 3.48Å; L595-Y613 VanDerWaalsContact CG-CE2 3.48Å; Y613-A615 PolarHBondContact O-N 2.97Å; Y613-Y682 AromaticContact CD1-CE1 3.58Å; Y613-Y682 HydrophobicContact CD1-CE1 3.58Å; Y613-Y682 AromaticContact CD1-CZ 3.96Å; Y613-Y682 AromaticContact CE1-CD1 3.94Å; Y613-Y682 HydrophobicContact CE1-CD1 3.94Å; Y613-Y682 AromaticContact CE1-CE1 3.31Å; Y613-Y682 HydrophobicContact CE1-CE1 3.31Å; Y613-Y682 AromaticContact CE1-CZ 3.78Å; Y613-Y682 HydrophobicContact CG-CE1 4.36Å; Y613-Y682 AromaticContact CZ-CE1 3.87Å
614I92.3Very high90.5Very high1 Ų145.3 Ų45.31%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-91.799.3174.8-57.4176.5000107.6S460 T462 V496 F592 F612 L628 L632S460-I614 WeakPolarHBondContact CB-O 3.4Å; S460-I614 PolarHBondContact OG-O 3.01Å; T462-I614 HydrophobicContact CG2-CD1 4.18Å; T462-I614 PolarHBondContact O-N 3.34Å; T462-I614 VanDerWaalsContact O-N 3.1Å; V496-I614 HydrophobicContact CG2-CD1 3.83Å; V496-I614 HydrophobicContact CG2-CG1 4.48Å; F592-I614 HydrophobicContact CD1-CG1 4.31Å; F592-I614 HydrophobicContact CD1-CG2 4.48Å; F592-I614 HydrophobicContact CE1-CG1 4.31Å; F592-I614 HydrophobicContact CE1-CG2 4.31Å; F612-I614 HydrophobicContact CE1-CD1 4.31Å; F612-I614 HydrophobicContact CE1-CG1 3.7Å; F612-I614 HydrophobicContact CZ-CG1 4.14Å; I614-L628 HydrophobicContact CD1-CB 3.99Å; I614-L628 HydrophobicContact CD1-CD1 4.43Å; I614-L632 HydrophobicContact CD1-CD1 4.18Å; I614-L632 HydrophobicContact CD1-CD2 4.1Å; I614-L632 HydrophobicContact CG2-CD2 4.45Å
615A89.2Confident90.9Very high17 Ų1743.7 Ų43.714%0.1423%0.231CC..EExtended strand (participates in β ladder)trans-80.8-38.1-176.300000113.5I457 A591 V593 Y613I457-A615 HydrophobicContact CG2-CB 3.48Å; I457-A615 VanDerWaalsContact CG2-CB 3.48Å; A591-A615 HydrophobicContact CB-CB 4.1Å; A591-A615 WeakPolarHBondContact O-CA 3.33Å; A591-A615 PolarHBondContact O-N 3.16Å; V593-A615 HydrophobicContact CG2-CB 3.86Å; Y613-A615 PolarHBondContact O-N 2.97Å
616N89.1Confident91.3Very high43 Ų4341.2 Ų41.223%0.2322%0.221CC..EExtended strand (participates in β ladder)trans-138.4130.3171.1-170.61.1000109.3S589 I590 A591 E618S589-N616 VanDerWaalsContact O-CG 3.28Å; S589-N616 PolarHBondContact O-ND2 2.95Å; S589-N616 PolarHBondContact O-OD1 3.07Å; I590-N616 WeakPolarHBondContact CA-O 3.42Å; A591-N616 HydrophobicContact CB-CB 3.82Å; A591-N616 PolarHBondContact N-O 2.62Å; A591-N616 PolarHBondContact O-N 3.39Å; N616-E618 WeakPolarHBondContact OD1-CB 3.36Å; N616-E618 WeakPolarHBondContact OD1-CG 3.49Å; N616-E618 PolarHBondContact OD1-N 3.41Å
617S89.6Confident91.6Very high43 Ų4338.9 Ų38.930%0.30121%0.21SC..  trans-117.65.2-179.858.30000113.6G619 L620S617-G619 PolarHBondContact O-N 3.17Å; S617-G619 VanDerWaalsContact O-N 3.14Å; S617-L620 WeakPolarHBondContact O-CB 3.36Å; S617-L620 PolarHBondContact O-N 2.95Å
618E88.9Confident91.7Very high161 Ų16133.3 Ų33.375%0.75219%0.189SC*.THydrogen-bonded Turntrans-56.4-31.2-176.3-75.9175.6171.100113.6S589 N616S589-E618 PolarHBondContact O-N 3.39Å; N616-E618 WeakPolarHBondContact OD1-CB 3.36Å; N616-E618 WeakPolarHBondContact OD1-CG 3.49Å; N616-E618 PolarHBondContact OD1-N 3.41Å
619G87.5Confident91.6Very high26 Ų2629.2 Ų29.227%0.26817%0.17SC..THydrogen-bonded Turntrans-85.1-5.1176.600000115.7S502 S589 S617S502-G619 WeakPolarHBondContact CB-O 3.13Å; S589-G619 PolarHBondContact O-N 3.35Å; S589-G619 WeakPolarHBondContact OG-CA 3.04Å; S617-G619 PolarHBondContact O-N 3.17Å; S617-G619 VanDerWaalsContact O-N 3.14Å
620L91.4Very high91.5Very high14 Ų1429.2 Ų29.27%0.07317%0.17CC..SBendtrans-82144.5175.4-66171.2000110.1V496 D498 V504 I590 S617 C624 L632V496-L620 HydrophobicContact CG1-CD1 4.34Å; V496-L620 HydrophobicContact CG1-CD2 4.36Å; D498-L620 HydrophobicContact CB-CD2 4.12Å; V504-L620 HydrophobicContact CB-CD2 4.36Å; I590-L620 HydrophobicContact CD1-CD2 3.85Å; I590-L620 HydrophobicContact CD1-CG 4.19Å; I590-L620 HydrophobicContact CG1-CD2 4.47Å; I590-L620 HydrophobicContact CG1-CG 4.3Å; I590-L620 HydrophobicContact CG2-CD2 4.43Å; I590-L620 HydrophobicContact CG2-CG 4.35Å; S617-L620 WeakPolarHBondContact O-CB 3.36Å; S617-L620 PolarHBondContact O-N 2.95Å; L620-C624 HydrophobicContact CB-CB 4.33Å; L620-L632 HydrophobicContact CD1-CD1 3.62Å
621S92.1Very high91.2Very high22 Ų2229.3 Ų29.315%0.15417%0.171CC..  trans-72.6164.4-178.786.30000112.6D498 D501 N623 C624 N633D498-S621 VanDerWaalsContact CG-OG 3.31Å; D498-S621 WeakPolarHBondContact OD1-CB 3.31Å; D498-S621 PolarHBondContact OD1-OG 3.13Å; D498-S621 PolarHBondContact OD2-N 2.95Å; D498-S621 PolarHBondContact OD2-OG 2.96Å; D501-S621 VanDerWaalsContact CB-CB 3.45Å; D501-S621 PolarHBondContact OD2-OG 3.49Å; S621-N623 PolarHBondContact O-N 3.23Å; S621-N623 PolarHBondContact OG-N 3.2Å; S621-C624 VanDerWaalsContact O-CB 3.23Å; S621-C624 WeakPolarHBondContact O-CB 3.34Å; S621-C624 PolarHBondContact O-N 2.86Å; S621-C624 PolarHBondContact OG-N 3Å; S621-N633 PolarHBondContact O-ND2 3.41Å
622S88.5Confident90.8Very high91 Ų9130.8 Ų30.864%0.63618%0.178SC*.THydrogen-bonded Turntrans-61-22.5169.757.80000113.3C624 N633S622-C624 VanDerWaalsContact C-N 3.33Å; S622-N633 WeakPolarHBondContact CA-ND2 3.46Å
623N89Confident90.1Very high111 Ų11135.2 Ų35.259%0.59420%0.202SC*.THydrogen-bonded Turntrans-91.54.4-179.2-57.3-33.2000112.9D501 S621 H625D501-N623 PolarHBondContact OD2-ND2 3.36Å; S621-N623 PolarHBondContact O-N 3.23Å; S621-N623 PolarHBondContact OG-N 3.2Å; N623-H625 PolarHBondContact O-N 3.44Å
624C91.8Very high89.7Confident6 Ų638.6 Ų38.64%0.04122%0.218CC..  trans-53.5126.5177.9-175.90000110.8D498 L620 S621 S622 G629D498-C624 HydrophobicContact CB-CB 4.11Å; L620-C624 HydrophobicContact CB-CB 4.33Å; S621-C624 VanDerWaalsContact O-CB 3.23Å; S621-C624 WeakPolarHBondContact O-CB 3.34Å; S621-C624 PolarHBondContact O-N 2.86Å; S621-C624 PolarHBondContact OG-N 3Å; S622-C624 VanDerWaalsContact C-N 3.33Å; C624-G629 CarbonylContact O-C 3.29Å; C624-G629 VanDerWaalsContact O-C 3.29Å; C624-G629 VanDerWaalsContact O-O 3.11Å
625H92.9Very high89.2Confident70 Ų7042.2 Ų42.232%0.32424%0.237SC..BIsolated β-bridgetrans-123.9-169.8-176.7-151.4-82.5000111.5V496 S497 N623 G629 D702 Y708V496-H625 CarbonylContact C-O 3.56Å; V496-H625 WeakPolarHBondContact CA-O 3.42Å; S497-H625 PolarHBondContact N-O 3.04Å; S497-H625 PolarHBondContact O-N 2.78Å; N623-H625 PolarHBondContact O-N 3.44Å; H625-G629 WeakPolarHBondContact O-CA 3.35Å; H625-D702 IonicContact CD2-OD2 3.41Å; H625-D702 IonicContact CE1-OD2 3.81Å; H625-D702 IonicContact NE2-OD2 2.83Å; H625-D702 PolarHBondContact NE2-OD2 3.47Å; H625-Y708 AromaticContact CE1-CE1 3.74Å; H625-Y708 AromaticContact ND1-CE1 3.82Å
626G93.1Very high89.1Confident1 Ų141.5 Ų41.51%0.0123%0.231CC..SBendtrans103.3177.3-173.500000112.6L495 L628 Q630L495-G626 CarbonylContact O-C 3.55Å; G626-L628 PolarHBondContact O-N 2.91Å; G626-Q630 WeakPolarHBondContact O-CB 3.17Å; G626-Q630 VanDerWaalsContact O-CG 3.29Å; G626-Q630 WeakPolarHBondContact O-CG 3.13Å; G626-Q630 PolarHBondContact O-N 3.08Å; G626-Q630 PolarHBondContact O-NE2 3.41Å
627L93.9Very high88.9Confident1 Ų148.1 Ų48.11%0.00525%0.253CS..THydrogen-bonded Turntrans-61.8-26.1-178-72.6170.8000113.4F470 I485 L493 R494 L495 F631 I701 Y708F470-L627 HydrophobicContact CD1-CB 4.4Å; F470-L627 HydrophobicContact CE1-CB 3.82Å; F470-L627 HydrophobicContact CE1-CD1 4.01Å; F470-L627 HydrophobicContact CZ-CD1 3.89Å; I485-L627 HydrophobicContact CD1-CD2 4.45Å; I485-L627 HydrophobicContact CG1-CD2 4.44Å; L493-L627 HydrophobicContact CB-CD1 4.03Å; L493-L627 HydrophobicContact CD1-CD1 4.2Å; L493-L627 HydrophobicContact CG-CD1 4.5Å; R494-L627 PolarHBondContact O-N 2.73Å; L495-L627 PolarHBondContact O-N 3.46Å; L627-F631 WeakPolarHBondContact O-CE2 3.34Å; L627-I701 HydrophobicContact CD2-CD1 4.48Å; L627-Y708 HydrophobicContact CD2-CD1 3.98Å; L627-Y708 HydrophobicContact CD2-CD2 3.84Å; L627-Y708 HydrophobicContact CD2-CE1 4.4Å; L627-Y708 HydrophobicContact CD2-CE2 4.29Å; L627-Y708 HydrophobicContact CD2-CG 3.68Å; L627-Y708 HydrophobicContact CG-CD1 3.91Å; L627-Y708 HydrophobicContact CG-CG 3.85Å
628L93.3Very high88.6Confident0 Ų048.4 Ų48.40%025%0.251CS..THydrogen-bonded Turntrans-108.9-43.5174-64.9174.9000112T462 V464 F470 V472 L495 F612 I614 G626 Q630 F631T462-L628 HydrophobicContact CG2-CB 4.27Å; T462-L628 HydrophobicContact CG2-CD2 4.04Å; V464-L628 HydrophobicContact CG1-CD1 4.14Å; F470-L628 HydrophobicContact CD1-CD2 3.81Å; F470-L628 HydrophobicContact CD1-CG 4.25Å; V472-L628 HydrophobicContact CG2-CD2 4.14Å; L495-L628 PolarHBondContact O-N 2.75Å; F612-L628 HydrophobicContact CD1-CD1 3.7Å; F612-L628 HydrophobicContact CE1-CD1 3.94Å; I614-L628 HydrophobicContact CD1-CB 3.99Å; I614-L628 HydrophobicContact CD1-CD1 4.43Å; G626-L628 PolarHBondContact O-N 2.91Å; L628-Q630 VanDerWaalsContact C-N 3.26Å; L628-Q630 PolarHBondContact O-N 2.88Å; L628-F631 PolarHBondContact O-N 3.46Å
629G90.1Very high88.1Confident1 Ų144.6 Ų44.61%0.0124%0.239CC..G310 helixtrans-59.1-34.5-171.900000114.1L495 C624 H625 F631 L632L495-G629 PolarHBondContact O-N 2.84Å; C624-G629 CarbonylContact O-C 3.29Å; C624-G629 VanDerWaalsContact O-C 3.29Å; C624-G629 VanDerWaalsContact O-O 3.11Å; H625-G629 WeakPolarHBondContact O-CA 3.35Å; G629-F631 PolarHBondContact O-N 2.99Å; G629-L632 PolarHBondContact O-N 3.29Å; G629-L632 VanDerWaalsContact O-N 3.16Å
630Q91Very high86.9Confident5 Ų550.6 Ų50.62%0.02326%0.26CS..G310 helixtrans-62.3-12.8-17677.6-178.2-7500114.9G626 L628 Q634 K668 D702 Y708G626-Q630 WeakPolarHBondContact O-CB 3.17Å; G626-Q630 VanDerWaalsContact O-CG 3.29Å; G626-Q630 WeakPolarHBondContact O-CG 3.13Å; G626-Q630 PolarHBondContact O-N 3.08Å; G626-Q630 PolarHBondContact O-NE2 3.41Å; L628-Q630 VanDerWaalsContact C-N 3.26Å; L628-Q630 PolarHBondContact O-N 2.88Å; Q630-Q634 WeakPolarHBondContact O-CG 3.45Å; Q630-K668 WeakPolarHBondContact O-CE 3.32Å; Q630-K668 PolarHBondContact O-NZ 3.19Å; Q630-D702 VanDerWaalsContact OE1-N 3.08Å; Q630-D702 PolarHBondContact OE1-OD2 2.89Å; Q630-Y708 PolarHBondContact NE2-OH 3.29Å; Q630-Y708 PolarHBondContact OE1-OH 3.03Å
631F89.5Confident84.6Confident3 Ų356.4 Ų56.41%0.01329%0.291CS..G310 helixtrans-106.6-11.9-177.6-58.3-68.8000113.9V472 F474 F483 L627 L628 G629 N633 Q634 V667 L700 I701V472-F631 HydrophobicContact CB-CD2 4.43Å; V472-F631 HydrophobicContact CG1-CB 3.34Å; V472-F631 HydrophobicContact CG1-CD2 3.91Å; V472-F631 HydrophobicContact CG1-CG 3.71Å; V472-F631 HydrophobicContact CG2-CD2 3.75Å; V472-F631 HydrophobicContact CG2-CE2 4.24Å; V472-F631 HydrophobicContact CG2-CG 4.41Å; F474-F631 HydrophobicContact CE1-CB 4.12Å; F474-F631 HydrophobicContact CE1-CD1 4.21Å; F474-F631 HydrophobicContact CZ-CB 4.11Å; F474-F631 AromaticContact CZ-CD1 3.83Å; F474-F631 HydrophobicContact CZ-CD1 3.83Å; F474-F631 HydrophobicContact CZ-CG 4.21Å; F483-F631 HydrophobicContact CE1-CE2 4.3Å; F483-F631 HydrophobicContact CZ-CE2 4.42Å; L627-F631 WeakPolarHBondContact O-CE2 3.34Å; L628-F631 PolarHBondContact O-N 3.46Å; G629-F631 PolarHBondContact O-N 2.99Å; F631-N633 PolarHBondContact O-N 2.81Å; F631-N633 VanDerWaalsContact O-N 3.14Å; F631-Q634 PolarHBondContact O-N 2.76Å; F631-V667 HydrophobicContact CD1-CG1 4.26Å; F631-V667 HydrophobicContact CE1-CG1 4.3Å; F631-L700 HydrophobicContact CE1-CD1 4.29Å; F631-L700 HydrophobicContact CE1-CG 4.31Å; F631-L700 WeakPolarHBondContact CE1-O 3.44Å; F631-L700 HydrophobicContact CZ-CG 4.04Å; F631-I701 HydrophobicContact CE2-CG2 4.38Å; F631-I701 HydrophobicContact CZ-CG2 4.06Å
632L86.2Confident82.2Confident30 Ų3061.3 Ų61.316%0.15732%0.322CS..THydrogen-bonded Turntrans-60.5-29.7-170.5-68.6172.8000114T462 I614 L620 G629T462-L632 HydrophobicContact CG2-CD2 4.29Å; I614-L632 HydrophobicContact CD1-CD1 4.18Å; I614-L632 HydrophobicContact CD1-CD2 4.1Å; I614-L632 HydrophobicContact CG2-CD2 4.45Å; L620-L632 HydrophobicContact CD1-CD1 3.62Å; G629-L632 PolarHBondContact O-N 3.29Å; G629-L632 VanDerWaalsContact O-N 3.16Å
633N80Confident79.6Confident94 Ų9461.2 Ų61.250%0.50333%0.327SS..THydrogen-bonded Turntrans-118.331.5-178-64.5-57.9000112.3S621 S622 F631S621-N633 PolarHBondContact O-ND2 3.41Å; S622-N633 WeakPolarHBondContact CA-ND2 3.46Å; F631-N633 PolarHBondContact O-N 2.81Å; F631-N633 VanDerWaalsContact O-N 3.14Å
634Q84.1Confident77Confident71 Ų7159.5 Ų59.533%0.33234%0.335SS..  trans-119.2158.7-176.5-61.7-63.9-3200111.1F474 Q630 F631 K668F474-Q634 WeakPolarHBondContact CD1-O 3.29Å; F474-Q634 HydrophobicContact CE1-CB 4.21Å; Q630-Q634 WeakPolarHBondContact O-CG 3.45Å; F631-Q634 PolarHBondContact O-N 2.76Å; Q634-K668 HydrophobicContact CG-CD 4.45Å; Q634-K668 HydrophobicContact CG-CG 4.13Å
635D82.7Confident74.6Confident77 Ų7764.9 Ų64.941%0.41237%0.37SS..  trans-106.8152.6171.6-87.3-41.2000111.1L476 S477L476-D635 WeakPolarHBondContact CB-OD1 3.41Å; S477-D635 PolarHBondContact OG-OD1 2.85Å; S477-D635 VanDerWaalsContact OG-OD1 3.09Å
636A85.6Confident71.9Confident2 Ų266.3 Ų66.32%0.01739%0.388CS..EExtended strand (participates in β ladder)trans-128.9139.1178.400000109.8F474 S477 L479 L665 V667F474-A636 HydrophobicContact CB-CB 4.13Å; F474-A636 HydrophobicContact CD1-CB 3.76Å; F474-A636 HydrophobicContact CD2-CB 3.78Å; F474-A636 HydrophobicContact CE1-CB 4.05Å; F474-A636 HydrophobicContact CE2-CB 4.08Å; F474-A636 HydrophobicContact CG-CB 3.61Å; F474-A636 HydrophobicContact CZ-CB 4.2Å; S477-A636 WeakPolarHBondContact CB-O 3.5Å; S477-A636 PolarHBondContact OG-N 2.98Å; S477-A636 PolarHBondContact OG-O 3.48Å; L479-A636 HydrophobicContact CD1-CB 4.13Å; L479-A636 WeakPolarHBondContact CD1-O 3.24Å; A636-L665 HydrophobicContact CB-CD1 4.2Å; A636-V667 HydrophobicContact CB-CG2 3.55Å
637R85.5Confident69Low182 Ų18275 Ų7569%0.68743%0.429SS*.EExtended strand (participates in β ladder)trans-128.2137.8175.4-64.5-175.9-177.2-1791.3110.1T666R637-T666 PolarHBondContact N-O 3.49Å; R637-T666 PolarHBondContact O-N 2.93Å
638L83.8Confident66.2Low49 Ų4982.7 Ų82.726%0.25747%0.47SS..EExtended strand (participates in β ladder)trans-93.5133.9170.6-151.485.8000108.5E640 A663 L665 V674 W691L638-E640 HydrophobicContact CD2-CG 4.39Å; L638-A663 HydrophobicContact CD1-CB 3.98Å; L638-A663 HydrophobicContact CD2-CB 3.86Å; L638-A663 HydrophobicContact CG-CB 3.94Å; L638-L665 HydrophobicContact CD1-CD1 4.11Å; L638-V674 HydrophobicContact CD1-CG2 3.98Å; L638-W691 HydrophobicContact CD1-CD2 3.98Å; L638-W691 HydrophobicContact CD1-CE3 4.44Å; L638-W691 HydrophobicContact CD1-CG 4.2Å; L638-W691 HydrophobicContact CD1-CZ2 4.42Å; L638-W691 HydrophobicContact CD2-CH2 3.96Å; L638-W691 HydrophobicContact CD2-CZ2 3.58Å
639T78.9Confident63.1Low81 Ų8190.5 Ų90.550%0.49751%0.51SS..EExtended strand (participates in β ladder)trans-117.2113.2169-46.30000106.8V664T639-V664 PolarHBondContact N-O 3.39Å; T639-V664 PolarHBondContact O-N 2.87Å; T639-V664 VanDerWaalsContact O-N 3.16Å
640E60.8Low60.3Low152 Ų15296.5 Ų96.571%0.7155%0.547SS*.  trans-78134170.1-67.4-177.2170.500108.2L638 P642L638-E640 HydrophobicContact CD2-CG 4.39Å; E640-P642 WeakPolarHBondContact O-CD 3.45Å
641D44.7Very low57.3Low135 Ų135104.3 Ų104.372%0.72258%0.583SS**  trans-70.7121.7174.7-160.64.7000108.9A643D641-A643 PolarHBondContact O-N 2.87Å
642P39.9Very low54.6Low125 Ų125110.3 Ų110.381%0.81262%0.622SS**  trans-78.485.1-177.231.2-33.4000110.6E640E640-P642 WeakPolarHBondContact O-CD 3.45Å
643A34Very low51.8Low90 Ų90116.7 Ų116.774%0.74466%0.656SS**  trans-12686.6162.900000110D641D641-A643 PolarHBondContact O-N 2.87Å
644G34.6Very low49.5Very low74 Ų74120.6 Ų120.676%0.76368%0.675SS**  trans-77178.7165.200000112.3
645P42Very low46.8Very low119 Ų119125 Ų12577%0.77370%0.701SS**  cis-142.3165.929.439.4-19.2000118
646S36.3Very low44.2Very low100 Ų100130.2 Ų130.270%0.69972%0.723SS**  trans32.2126.7148.565.40000121.9
647Q31.7Very low41.8Very low185 Ų185137.6 Ų137.686%0.86477%0.767SS**  176.1143.2110.8-95177.113.400112.7L649Q647-L649 PolarHBondContact O-N 3.28Å
648N35.3Very low39.5Very low162 Ų162131.5 Ų131.587%0.86676%0.761SS**  trans-44.9128.8168.4-73.8-31.4000112.5
649L28.9Very low37.5Very low164 Ų164138.2 Ų138.286%0.85979%0.791SS**  trans-150.4102.8156.7-95.1155.6000110.1Q647 H651Q647-L649 PolarHBondContact O-N 3.28Å; L649-H651 PolarHBondContact O-N 3.3Å
650T31.5Very low36.2Very low126 Ų126135.9 Ų135.977%0.77378%0.783SS**  trans-60.3109.3155.730.70000109.4
651H28.1Very low35.9Very low170 Ų170133.8 Ų133.879%0.78778%0.783SS**SBendtrans160.4138.2144.6-87.1-63.1000109.9L649 L653L649-H651 PolarHBondContact O-N 3.3Å; H651-L653 PolarHBondContact O-N 2.71Å
652P31.7Very low36.8Very low129 Ų129133.9 Ų133.984%0.83878%0.779SS**  trans-80.2108.1-176.430.7-30.2000110.7
653L27.1Very low38.9Very low163 Ų163128.2 Ų128.285%0.85374%0.742SS**  trans-91.4130.4167.3-82.3161.3000109.9H651 L655H651-L653 PolarHBondContact O-N 2.71Å; L653-L655 PolarHBondContact O-N 3.28Å
654L32Very low41.4Very low176 Ų176126.3 Ų126.392%0.92172%0.721SS**  trans-52.4104.2168.7-84136.4000110.5Q656L654-Q656 PolarHBondContact O-N 3.25Å
655L28.7Very low43.9Very low165 Ų165122.8 Ų122.886%0.86469%0.685SS**  trans-71.5116.8167.7-82.4157.2000109.2L653L653-L655 PolarHBondContact O-N 3.28Å
656Q27.9Very low46.1Very low186 Ų186119 Ų11987%0.86966%0.66SS**  trans-64.4144.3166.8-71-175.310.200110.2L654 G658L654-Q656 PolarHBondContact O-N 3.25Å; Q656-G658 PolarHBondContact O-N 3.18Å
657V34.3Very low48.4Very low157 Ų157114.4 Ų114.495%0.95263%0.627SS**THydrogen-bonded Turntrans-62.9113.8178.3176.90000109.8
658G37.3Very low50.7Low54 Ų54108.5 Ų108.556%0.55760%0.599SS**THydrogen-bonded Turntrans170.7-44.9168.800000117.5Q656Q656-G658 PolarHBondContact O-N 3.18Å
659E41.4Very low52.7Low190 Ų190104 Ų10489%0.88859%0.591SS**  trans-132.691.3-168.1-71.5178.316600110.3
660G51.1Low55.4Low32 Ų3299.9 Ų99.933%0.3357%0.567SS.*  trans-89.8158.8162.500000109.7E662G660-E662 PolarHBondContact O-N 2.96Å
661P54.5Low58Low108 Ų108100.3 Ų100.370%0.70156%0.56SS**  trans-55.9123.8177.623-31.9000109.8A663P661-A663 PolarHBondContact O-N 2.96Å
662E64.5Low60.9Low137 Ų13792.4 Ų92.464%0.6452%0.524SS*.  trans-70115.3173.6-69.9-167.8151.800108G660G660-E662 PolarHBondContact O-N 2.96Å
663A83.1Confident63.5Low6 Ų690 Ų905%0.0551%0.508CS..EExtended strand (participates in β ladder)trans-104.9152.2174.600000109.4L638 P661 V674 W691L638-A663 HydrophobicContact CD1-CB 3.98Å; L638-A663 HydrophobicContact CD2-CB 3.86Å; L638-A663 HydrophobicContact CG-CB 3.94Å; P661-A663 PolarHBondContact O-N 2.96Å; A663-V674 HydrophobicContact CB-CG2 4.13Å; A663-V674 PolarHBondContact N-O 2.96Å; A663-V674 VanDerWaalsContact N-O 3.11Å; A663-V674 WeakPolarHBondContact O-CG2 3.49Å; A663-V674 PolarHBondContact O-N 2.89Å; A663-W691 HydrophobicContact CB-CE3 4.36Å; A663-W691 HydrophobicContact CB-CH2 4.25Å; A663-W691 HydrophobicContact CB-CZ3 3.87Å
664V87.1Confident66.4Low49 Ų4982.2 Ų82.230%0.29747%0.468SS..EExtended strand (participates in β ladder)trans-102.5117.5175.3-177.90000108.9T639 Q671T639-V664 PolarHBondContact N-O 3.39Å; T639-V664 PolarHBondContact O-N 2.87Å; T639-V664 VanDerWaalsContact O-N 3.16Å; V664-Q671 HydrophobicContact CG1-CB 3.73Å; V664-Q671 HydrophobicContact CG1-CG 4.08Å
665L88.3Confident69.1Low0 Ų074.4 Ų74.40%043%0.427CS..EExtended strand (participates in β ladder)trans-88.3125.5173.1-174.779.8000109.2L479 V481 A636 L638 V667 Q671 V672 V674 L700L479-L665 HydrophobicContact CD1-CD1 4.38Å; V481-L665 HydrophobicContact CB-CD2 4.48Å; V481-L665 HydrophobicContact CG1-CD2 4.04Å; V481-L665 HydrophobicContact CG2-CD1 4.18Å; V481-L665 HydrophobicContact CG2-CD2 3.6Å; A636-L665 HydrophobicContact CB-CD1 4.2Å; L638-L665 HydrophobicContact CD1-CD1 4.11Å; L665-V667 HydrophobicContact CD1-CG2 4.44Å; L665-V667 HydrophobicContact CD2-CG2 3.67Å; L665-V667 HydrophobicContact CG-CG2 3.84Å; L665-Q671 WeakPolarHBondContact O-CA 3.46Å; L665-V672 PolarHBondContact N-O 3.3Å; L665-V672 PolarHBondContact O-N 3.15Å; L665-V674 HydrophobicContact CB-CG1 3.76Å; L665-V674 HydrophobicContact CB-CG2 3.92Å; L665-V674 HydrophobicContact CD2-CG1 4.24Å; L665-L700 HydrophobicContact CD2-CD1 4.05Å
666T86.9Confident71.8Confident41 Ų4172.2 Ų72.225%0.25241%0.407SS..EExtended strand (participates in β ladder)trans-102.8115.5170.8-55.50000110.1R637 H670R637-T666 PolarHBondContact N-O 3.49Å; R637-T666 PolarHBondContact O-N 2.93Å; T666-H670 VanDerWaalsContact CA-O 3.26Å; T666-H670 WeakPolarHBondContact CA-O 2.88Å
667V85.9Confident74.4Confident2 Ų266.8 Ų66.81%0.01238%0.381CS..EExtended strand (participates in β ladder)trans-135130.2176.3175.50000108.1F474 F631 A636 L665 G669 H670F474-V667 HydrophobicContact CE1-CG1 4.22Å; F474-V667 HydrophobicContact CE1-CG2 4.5Å; F474-V667 HydrophobicContact CZ-CG1 4.23Å; F474-V667 HydrophobicContact CZ-CG2 4.17Å; F631-V667 HydrophobicContact CD1-CG1 4.26Å; F631-V667 HydrophobicContact CE1-CG1 4.3Å; A636-V667 HydrophobicContact CB-CG2 3.55Å; L665-V667 HydrophobicContact CD1-CG2 4.44Å; L665-V667 HydrophobicContact CD2-CG2 3.67Å; L665-V667 HydrophobicContact CG-CG2 3.84Å; V667-G669 PolarHBondContact O-N 3.3Å; V667-H670 PolarHBondContact N-O 3.15Å; V667-H670 WeakPolarHBondContact O-CB 3.36Å; V667-H670 PolarHBondContact O-N 2.94Å
668K79.4Confident76.7Confident61 Ų6163.9 Ų63.927%0.26536%0.357SS..THydrogen-bonded Turntrans5229-177.9-61.5173.7176.7-1790114.6Q630 Q634 H670 D702Q630-K668 WeakPolarHBondContact O-CE 3.32Å; Q630-K668 PolarHBondContact O-NZ 3.19Å; Q634-K668 HydrophobicContact CG-CD 4.45Å; Q634-K668 HydrophobicContact CG-CG 4.13Å; K668-H670 PolarHBondContact O-N 3.21Å; K668-D702 VanDerWaalsContact CD-OD1 3.23Å; K668-D702 WeakPolarHBondContact CD-OD1 3.34Å; K668-D702 IonicContact NZ-OD1 3.52Å; K668-D702 PolarHBondContact NZ-OD1 2.81Å; K668-D702 IonicContact NZ-OD2 3.26Å; K668-D702 PolarHBondContact NZ-OD2 2.68Å
669G77.7Confident78.4Confident68 Ų6864.3 Ų64.370%0.70134%0.342SS*.THydrogen-bonded Turntrans79.2-2.9-175.900000115.2V667V667-G669 PolarHBondContact O-N 3.3Å
670H84.4Confident79.7Confident77 Ų7762.5 Ų62.536%0.35633%0.331SS..EExtended strand (participates in β ladder)trans-85139.8171.1-57.9121.2000111T666 V667 K668 K699T666-H670 VanDerWaalsContact CA-O 3.26Å; T666-H670 WeakPolarHBondContact CA-O 2.88Å; V667-H670 PolarHBondContact N-O 3.15Å; V667-H670 WeakPolarHBondContact O-CB 3.36Å; V667-H670 PolarHBondContact O-N 2.94Å; K668-H670 PolarHBondContact O-N 3.21Å; H670-K699 WeakPolarHBondContact CB-O 3.37Å
671Q86.5Confident80.5Confident136 Ų13661.5 Ų61.564%0.63632%0.318SS*.EExtended strand (participates in β ladder)trans-101.9121.9172.6-68.5-174.621.800110.2V664 L665V664-Q671 HydrophobicContact CG1-CB 3.73Å; V664-Q671 HydrophobicContact CG1-CG 4.08Å; L665-Q671 WeakPolarHBondContact O-CA 3.46Å
672V88.2Confident80.8Confident3 Ų357.5 Ų57.52%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-125.1122.2-174.5-174.40000109.5L665 V674 A693 K699 L700L665-V672 PolarHBondContact N-O 3.3Å; L665-V672 PolarHBondContact O-N 3.15Å; V672-V674 HydrophobicContact CG1-CG1 4.33Å; V672-V674 PolarHBondContact O-N 2.99Å; V672-A693 HydrophobicContact CG1-CB 3.96Å; V672-K699 HydrophobicContact CG2-CB 4.23Å; V672-K699 VanDerWaalsContact CG2-O 3.3Å; V672-K699 WeakPolarHBondContact CG2-O 3.48Å; V672-L700 HydrophobicContact CG1-CB 4.31Å; V672-L700 HydrophobicContact CG2-CB 4.09Å; V672-L700 HydrophobicContact CG2-CD1 4.33Å
673P87.6Confident80.7Confident79 Ų7956 Ų5651%0.51329%0.285SS..EExtended strand (participates in β ladder)trans-68.9127.8173.227.9-32.3000110
674V88.4Confident79.6Confident0 Ų057.4 Ų57.40%030%0.301CS..EExtended strand (participates in β ladder)trans-128.8150.8-178.1-65.10000111.5L638 A663 L665 V672 W691 F692 A693L638-V674 HydrophobicContact CD1-CG2 3.98Å; A663-V674 HydrophobicContact CB-CG2 4.13Å; A663-V674 PolarHBondContact N-O 2.96Å; A663-V674 VanDerWaalsContact N-O 3.11Å; A663-V674 WeakPolarHBondContact O-CG2 3.49Å; A663-V674 PolarHBondContact O-N 2.89Å; L665-V674 HydrophobicContact CB-CG1 3.76Å; L665-V674 HydrophobicContact CB-CG2 3.92Å; L665-V674 HydrophobicContact CD2-CG1 4.24Å; V672-V674 HydrophobicContact CG1-CG1 4.33Å; V672-V674 PolarHBondContact O-N 2.99Å; V674-W691 HydrophobicContact CB-CB 4.03Å; V674-W691 HydrophobicContact CB-CE3 4.44Å; V674-W691 HydrophobicContact CG1-CB 4.49Å; V674-W691 HydrophobicContact CG2-CB 3.99Å; V674-W691 HydrophobicContact CG2-CD2 4.23Å; V674-W691 HydrophobicContact CG2-CE3 3.83Å; V674-W691 HydrophobicContact CG2-CG 4.33Å; V674-F692 WeakPolarHBondContact CA-O 2.96Å; V674-A693 HydrophobicContact CG1-CB 4.22Å
675V88.3Confident78.4Confident12 Ų1263.4 Ų63.47%0.07333%0.326CS..EExtended strand (participates in β ladder)trans-126.4136.5178.2-1720000109.4K677 F692V675-K677 PolarHBondContact O-N 2.92Å; V675-F692 PolarHBondContact N-O 2.86Å; V675-F692 WeakPolarHBondContact O-CB 3.35Å; V675-F692 PolarHBondContact O-N 3.47Å
676W85.6Confident77.5Confident118 Ų11867.7 Ų67.745%0.44735%0.346SS..EExtended strand (participates in β ladder)trans-63.3132.2178.4-168.890.5000111.7Q678 D689 W691W676-Q678 HydrophobicContact CH2-CG 3.17Å; W676-Q678 HydrophobicContact CZ2-CG 3.87Å; W676-Q678 HydrophobicContact CZ3-CG 3.54Å; W676-D689 HydrophobicContact CZ2-CB 3.97Å; W676-W691 HydrophobicContact CB-CE3 4.09Å; W676-W691 HydrophobicContact CB-CH2 4.16Å; W676-W691 HydrophobicContact CB-CZ3 3.77Å
677K82.7Confident77Confident72 Ų7270.9 Ų70.931%0.31336%0.358SS..EExtended strand (participates in β ladder)trans-143.8150.4175-73.7-165.5176.9178.50111.4V675 C690 F692V675-K677 PolarHBondContact O-N 2.92Å; K677-C690 PolarHBondContact N-O 2.75Å; K677-C690 PolarHBondContact O-N 2.83Å; K677-F692 HydrophobicContact CB-CB 4.23Å; K677-F692 HydrophobicContact CD-CB 3.79Å; K677-F692 HydrophobicContact CD-CD1 4.05Å; K677-F692 HydrophobicContact CD-CD2 4.43Å; K677-F692 HydrophobicContact CD-CG 3.83Å; K677-F692 HydrophobicContact CG-CB 3.95Å
678Q81.1Confident76.8Confident97 Ų9771.1 Ų71.145%0.45336%0.359SS..EExtended strand (participates in β ladder)trans-96.7138.3164-52.6-163.8-58.900110.3W676 Q687 I688 D689W676-Q678 HydrophobicContact CH2-CG 3.17Å; W676-Q678 HydrophobicContact CZ2-CG 3.87Å; W676-Q678 HydrophobicContact CZ3-CG 3.54Å; Q678-Q687 HydrophobicContact CB-CG 4.37Å; Q678-Q687 VanDerWaalsContact CD-NE2 3.33Å; Q678-I688 WeakPolarHBondContact CA-O 3.45Å; Q678-D689 VanDerWaalsContact CG-OD1 3.23Å; Q678-D689 WeakPolarHBondContact CG-OD1 3.39Å; Q678-D689 PolarHBondContact NE2-OD1 2.85Å
679R73Confident77.1Confident62 Ų6272.2 Ų72.223%0.23437%0.368CS..EExtended strand (participates in β ladder)trans-131.4150.8178.8-68.4-64-170157.15.4110.3Q687 I688 C690R679-Q687 CarbonylContact O-C 3.58Å; R679-Q687 WeakPolarHBondContact O-CA 3.32Å; R679-I688 PolarHBondContact N-O 3.02Å; R679-I688 PolarHBondContact O-N 3.18Å; R679-C690 VanDerWaalsContact CG-SG 3.58Å
680K69.9Low77.5Confident153 Ų15369.1 Ų69.167%0.66534%0.335SS*.EExtended strand (participates in β ladder)trans-101.4132.9172.9-71.3-169.8179.1-170.10109.3E686K680-E686 CarbonylContact C-O 3.5Å; K680-E686 VanDerWaalsContact CA-O 3.31Å; K680-E686 WeakPolarHBondContact CA-O 3.3Å
681I68.1Low77.8Confident11 Ų1167.5 Ų67.56%0.05633%0.326CS..EExtended strand (participates in β ladder)trans-125.1-179.3173.566.4155000109.8V471 N683 G684 E685 E686 I688V471-I681 HydrophobicContact CG2-CG2 4.3Å; I681-N683 PolarHBondContact O-N 2.69Å; I681-G684 WeakPolarHBondContact O-CA 3.37Å; I681-G684 PolarHBondContact O-N 2.83Å; I681-E685 PolarHBondContact O-N 2.89Å; I681-E686 HydrophobicContact CG1-CB 4.07Å; I681-E686 PolarHBondContact N-O 3.18Å; I681-E686 PolarHBondContact O-N 3.46Å; I681-I688 HydrophobicContact CD1-CD1 3.19Å; I681-I688 HydrophobicContact CD1-CG1 4.03Å; I681-I688 HydrophobicContact CG1-CD1 3.7Å; I681-I688 HydrophobicContact CG1-CG1 4.01Å; I681-I688 HydrophobicContact CG2-CD1 4.38Å
682Y61Low77.9Confident23 Ų2361.9 Ų61.99%0.0930%0.3CS..G310 helixtrans50.559.5-179.8-60.2-58.8000113I459 S460 L595 Y613 G684 E685 E686I459-Y682 HydrophobicContact CB-CE1 4.01Å; I459-Y682 WeakPolarHBondContact CB-OH 3.46Å; I459-Y682 HydrophobicContact CD1-CD1 4.18Å; I459-Y682 HydrophobicContact CD1-CE1 3.59Å; I459-Y682 HydrophobicContact CG1-CE1 4.41Å; I459-Y682 HydrophobicContact CG2-CE1 3.74Å; I459-Y682 WeakPolarHBondContact CG2-OH 3.3Å; S460-Y682 PolarHBondContact O-OH 3.42Å; L595-Y682 HydrophobicContact CD1-CD1 3.67Å; L595-Y682 HydrophobicContact CD1-CE1 4.29Å; Y613-Y682 AromaticContact CD1-CE1 3.58Å; Y613-Y682 HydrophobicContact CD1-CE1 3.58Å; Y613-Y682 AromaticContact CD1-CZ 3.96Å; Y613-Y682 AromaticContact CE1-CD1 3.94Å; Y613-Y682 HydrophobicContact CE1-CD1 3.94Å; Y613-Y682 AromaticContact CE1-CE1 3.31Å; Y613-Y682 HydrophobicContact CE1-CE1 3.31Å; Y613-Y682 AromaticContact CE1-CZ 3.78Å; Y613-Y682 HydrophobicContact CG-CE1 4.36Å; Y613-Y682 AromaticContact CZ-CE1 3.87Å; Y682-G684 PolarHBondContact O-N 3.4Å; Y682-E685 VanDerWaalsContact O-CB 3.29Å; Y682-E685 WeakPolarHBondContact O-CB 3.42Å; Y682-E685 WeakPolarHBondContact O-CG 3.41Å; Y682-E685 PolarHBondContact O-N 2.91Å; Y682-E686 HydrophobicContact CD2-CB 3.77Å; Y682-E686 WeakPolarHBondContact CD2-OE2 3.24Å; Y682-E686 WeakPolarHBondContact CE2-OE2 3.44Å
683N61.1Low77.9Confident105 Ų10561.8 Ų61.856%0.56130%0.299SS*.G310 helixtrans59.215.9-177.9-101.7-37.4000115.2H597 I681H597-N683 PolarHBondContact CE1-OD1 3.44Å; H597-N683 VanDerWaalsContact CE1-OD1 3.3Å; H597-N683 VanDerWaalsContact ND1-CG 3.29Å; H597-N683 PolarHBondContact ND1-ND2 3.25Å; H597-N683 PolarHBondContact ND1-OD1 3.07Å; I681-N683 PolarHBondContact O-N 2.69Å
684G60.8Low77.8Confident37 Ų3763.5 Ų63.538%0.38130%0.295SS..G310 helixtrans89.96.2-177.200000115I681 Y682I681-G684 WeakPolarHBondContact O-CA 3.37Å; I681-G684 PolarHBondContact O-N 2.83Å; Y682-G684 PolarHBondContact O-N 3.4Å
685E62.6Low77.5Confident175 Ų17570.1 Ų70.182%0.81833%0.331SS*.THydrogen-bonded Turntrans-74.2-30.4177.6-64.9-177.3169.600112.6I681 Y682I681-E685 PolarHBondContact O-N 2.89Å; Y682-E685 VanDerWaalsContact O-CB 3.29Å; Y682-E685 WeakPolarHBondContact O-CB 3.42Å; Y682-E685 WeakPolarHBondContact O-CG 3.41Å; Y682-E685 PolarHBondContact O-N 2.91Å
686E69Low77.1Confident89 Ų8971.7 Ų71.742%0.41634%0.339SS..EExtended strand (participates in β ladder)trans-120.7140-178.9-161.9173.7171.400111.6K680 I681 Y682K680-E686 CarbonylContact C-O 3.5Å; K680-E686 VanDerWaalsContact CA-O 3.31Å; K680-E686 WeakPolarHBondContact CA-O 3.3Å; I681-E686 HydrophobicContact CG1-CB 4.07Å; I681-E686 PolarHBondContact N-O 3.18Å; I681-E686 PolarHBondContact O-N 3.46Å; Y682-E686 HydrophobicContact CD2-CB 3.77Å; Y682-E686 WeakPolarHBondContact CD2-OE2 3.24Å; Y682-E686 WeakPolarHBondContact CE2-OE2 3.44Å
687Q76.2Confident77Confident108 Ų10866 Ų6651%0.50532%0.317SS..EExtended strand (participates in β ladder)trans-110.4124.3176.2-171167.3-4.400109.1Q678 R679Q678-Q687 HydrophobicContact CB-CG 4.37Å; Q678-Q687 VanDerWaalsContact CD-NE2 3.33Å; R679-Q687 CarbonylContact O-C 3.58Å; R679-Q687 WeakPolarHBondContact O-CA 3.32Å
688I80.9Confident77Confident8 Ų865.1 Ų65.14%0.04132%0.323CS..EExtended strand (participates in β ladder)trans-114.5132.7-179.9-67.1-172.2000109.6K461 T480 Q678 R679 I681 C690K461-I688 HydrophobicContact CB-CD1 4.38Å; K461-I688 HydrophobicContact CD-CD1 4.31Å; K461-I688 HydrophobicContact CG-CD1 3.95Å; T480-I688 HydrophobicContact CG2-CG2 3.91Å; Q678-I688 WeakPolarHBondContact CA-O 3.45Å; R679-I688 PolarHBondContact N-O 3.02Å; R679-I688 PolarHBondContact O-N 3.18Å; I681-I688 HydrophobicContact CD1-CD1 3.19Å; I681-I688 HydrophobicContact CD1-CG1 4.03Å; I681-I688 HydrophobicContact CG1-CD1 3.7Å; I681-I688 HydrophobicContact CG1-CG1 4.01Å; I681-I688 HydrophobicContact CG2-CD1 4.38Å; I688-C690 HydrophobicContact CG2-CB 4.44Å
689D85.3Confident77.1Confident84 Ų8467.5 Ų67.545%0.44933%0.332SS..EExtended strand (participates in β ladder)trans-83.5125.1166-60.5-27.3000109.1W676 Q678W676-D689 HydrophobicContact CZ2-CB 3.97Å; Q678-D689 VanDerWaalsContact CG-OD1 3.23Å; Q678-D689 WeakPolarHBondContact CG-OD1 3.39Å; Q678-D689 PolarHBondContact NE2-OD1 2.85Å
690C88.1Confident77.9Confident2 Ų264.7 Ų64.71%0.01432%0.322CS..EExtended strand (participates in β ladder)trans-140.9149.9-178.464.30000112.5T480 C482 K677 R679 I688T480-C690 HydrophobicContact CG2-CB 4.16Å; T480-C690 WeakPolarHBondContact O-CA 3.36Å; C482-C690 HydrophobicContact CB-CB 3.69Å; C482-C690 WeakPolarHBondContact CB-SG 3.28Å; C482-C690 WeakPolarHBondContact SG-CB 2.84Å; C482-C690 CovalentContact SG-SG 2.04Å; C482-C690 PolarHBondContact SG-SG 3.4Å; K677-C690 PolarHBondContact N-O 2.75Å; K677-C690 PolarHBondContact O-N 2.83Å; R679-C690 VanDerWaalsContact CG-SG 3.58Å; I688-C690 HydrophobicContact CG2-CB 4.44Å
691W89.4Confident78.8Confident44 Ų4457.7 Ų57.717%0.16729%0.291CS..EExtended strand (participates in β ladder)trans-82.1113.8169.3-69104000109.4T480 V481 C482 L638 A663 V674 W676T480-W691 PolarHBondContact O-N 2.98Å; V481-W691 CarbonylContact C-O 3.58Å; V481-W691 WeakPolarHBondContact CA-O 3.45Å; V481-W691 WeakPolarHBondContact CG1-O 3.41Å; C482-W691 PolarHBondContact N-O 3.19Å; L638-W691 HydrophobicContact CD1-CD2 3.98Å; L638-W691 HydrophobicContact CD1-CE3 4.44Å; L638-W691 HydrophobicContact CD1-CG 4.2Å; L638-W691 HydrophobicContact CD1-CZ2 4.42Å; L638-W691 HydrophobicContact CD2-CH2 3.96Å; L638-W691 HydrophobicContact CD2-CZ2 3.58Å; A663-W691 HydrophobicContact CB-CE3 4.36Å; A663-W691 HydrophobicContact CB-CH2 4.25Å; A663-W691 HydrophobicContact CB-CZ3 3.87Å; V674-W691 HydrophobicContact CB-CB 4.03Å; V674-W691 HydrophobicContact CB-CE3 4.44Å; V674-W691 HydrophobicContact CG1-CB 4.49Å; V674-W691 HydrophobicContact CG2-CB 3.99Å; V674-W691 HydrophobicContact CG2-CD2 4.23Å; V674-W691 HydrophobicContact CG2-CE3 3.83Å; V674-W691 HydrophobicContact CG2-CG 4.33Å; W676-W691 HydrophobicContact CB-CE3 4.09Å; W676-W691 HydrophobicContact CB-CH2 4.16Å; W676-W691 HydrophobicContact CB-CZ3 3.77Å
692F89.2Confident79.8Confident18 Ų1860.6 Ų60.68%0.07931%0.307CS..EExtended strand (participates in β ladder)trans-88.9115.7-174.1-177.3-106.2000112.1C482 V674 V675 K677 R694C482-F692 CarbonylContact O-C 3.53Å; C482-F692 VanDerWaalsContact O-CA 3.25Å; C482-F692 WeakPolarHBondContact O-CA 3.09Å; C482-F692 WeakPolarHBondContact O-CD2 3.4Å; V674-F692 WeakPolarHBondContact CA-O 2.96Å; V675-F692 PolarHBondContact N-O 2.86Å; V675-F692 WeakPolarHBondContact O-CB 3.35Å; V675-F692 PolarHBondContact O-N 3.47Å; K677-F692 HydrophobicContact CB-CB 4.23Å; K677-F692 HydrophobicContact CD-CB 3.79Å; K677-F692 HydrophobicContact CD-CD1 4.05Å; K677-F692 HydrophobicContact CD-CD2 4.43Å; K677-F692 HydrophobicContact CD-CG 3.83Å; K677-F692 HydrophobicContact CG-CB 3.95Å; F692-R694 HydrophobicContact CD1-CG 4.04Å; F692-R694 HydrophobicContact CE1-CG 3.96Å
693A88.6Confident81Confident1 Ų161 Ų611%0.00832%0.318CS..EExtended strand (participates in β ladder)trans-83.9125.7170.900000110.6C482 F483 V672 V674 L700C482-A693 PolarHBondContact O-N 3.4Å; F483-A693 HydrophobicContact CB-CB 4.29Å; V672-A693 HydrophobicContact CG1-CB 3.96Å; V674-A693 HydrophobicContact CG1-CB 4.22Å; A693-L700 HydrophobicContact CB-CD2 3.8Å
694R84.1Confident82.4Confident115 Ų11562.1 Ų62.143%0.43432%0.32SS..  trans-82.4-180-179.8-63.2-176.4179.6-173.6-0.1111.4F692 N696F692-R694 HydrophobicContact CD1-CG 4.04Å; F692-R694 HydrophobicContact CE1-CG 3.96Å; R694-N696 PolarHBondContact O-N 3.13Å
695N82.3Confident83.7Confident139 Ų13963.1 Ų63.174%0.74331%0.312SS*.G310 helixtrans5750.7169.3-57.6-16.3000114.9A697 A698N695-A697 PolarHBondContact O-N 3.47Å; N695-A698 HydrophobicContact CB-CB 4.38Å; N695-A698 VanDerWaalsContact O-CB 3.23Å; N695-A698 WeakPolarHBondContact O-CB 3.42Å; N695-A698 PolarHBondContact O-N 3.47Å
696N80.7Confident85Confident44 Ų4460.5 Ų60.524%0.23530%0.298CS..G310 helixtrans58.334.9172.6-151.951.1000113.8N484 I485 D486 R694 A698 Y705N484-N696 WeakPolarHBondContact O-CA 3.48Å; N484-N696 PolarHBondContact O-OD1 3.33Å; I485-N696 WeakPolarHBondContact CA-OD1 3.26Å; D486-N696 PolarHBondContact N-OD1 2.96Å; R694-N696 PolarHBondContact O-N 3.13Å; N696-A698 PolarHBondContact O-N 3.47Å; N696-Y705 WeakPolarHBondContact ND2-CD1 3.42Å
697A82.6Confident86.1Confident0 Ų061.3 Ų61.30%031%0.306CS..G310 helixtrans59.522.5-175.500000115.1F483 I485 N695 K699 L700 I701F483-A697 HydrophobicContact CB-CB 3.99Å; F483-A697 HydrophobicContact CD2-CB 3.46Å; F483-A697 VanDerWaalsContact CD2-CB 3.46Å; F483-A697 HydrophobicContact CE2-CB 4.01Å; F483-A697 HydrophobicContact CG-CB 3.78Å; I485-A697 HydrophobicContact CD1-CB 4.22Å; N695-A697 PolarHBondContact O-N 3.47Å; A697-K699 PolarHBondContact O-N 3.29Å; A697-L700 HydrophobicContact CB-CB 4.27Å; A697-L700 HydrophobicContact CB-CD2 4.34Å; A697-L700 WeakPolarHBondContact O-CB 3.37Å; A697-L700 PolarHBondContact O-N 3.22Å; A697-I701 HydrophobicContact CB-CG2 4.03Å; A697-I701 PolarHBondContact O-N 3.11Å
698A82.8Confident86.9Confident53 Ų5356.7 Ų56.744%0.43828%0.284SS..THydrogen-bonded Turntrans-53.9133.8175.200000110.9N695 N696 L700N695-A698 HydrophobicContact CB-CB 4.38Å; N695-A698 VanDerWaalsContact O-CB 3.23Å; N695-A698 WeakPolarHBondContact O-CB 3.42Å; N695-A698 PolarHBondContact O-N 3.47Å; N696-A698 PolarHBondContact O-N 3.47Å; A698-L700 PolarHBondContact O-N 3.05Å; A698-L700 VanDerWaalsContact O-N 3.13Å
699K84.4Confident87.6Confident147 Ų14759 Ų5964%0.63930%0.295SS*.THydrogen-bonded Turntrans66.2-7-174.2-50.4-179.7178.4-178.20115.9H670 V672 A697H670-K699 WeakPolarHBondContact CB-O 3.37Å; V672-K699 HydrophobicContact CG2-CB 4.23Å; V672-K699 VanDerWaalsContact CG2-O 3.3Å; V672-K699 WeakPolarHBondContact CG2-O 3.48Å; A697-K699 PolarHBondContact O-N 3.29Å
700L87.9Confident88Confident3 Ų355.4 Ų55.42%0.01628%0.278CS..THydrogen-bonded Turntrans-86.8-42.7172.3179.665.2000111.3V481 F483 F631 L665 V672 A693 A697 A698V481-L700 HydrophobicContact CG1-CD1 4.49Å; V481-L700 HydrophobicContact CG1-CD2 3.97Å; F483-L700 HydrophobicContact CB-CD2 4.29Å; F483-L700 HydrophobicContact CD1-CD2 3.62Å; F483-L700 HydrophobicContact CE1-CD2 4.17Å; F483-L700 HydrophobicContact CG-CD2 4.12Å; F631-L700 HydrophobicContact CE1-CD1 4.29Å; F631-L700 HydrophobicContact CE1-CG 4.31Å; F631-L700 WeakPolarHBondContact CE1-O 3.44Å; F631-L700 HydrophobicContact CZ-CG 4.04Å; L665-L700 HydrophobicContact CD2-CD1 4.05Å; V672-L700 HydrophobicContact CG1-CB 4.31Å; V672-L700 HydrophobicContact CG2-CB 4.09Å; V672-L700 HydrophobicContact CG2-CD1 4.33Å; A693-L700 HydrophobicContact CB-CD2 3.8Å; A697-L700 HydrophobicContact CB-CB 4.27Å; A697-L700 HydrophobicContact CB-CD2 4.34Å; A697-L700 WeakPolarHBondContact O-CB 3.37Å; A697-L700 PolarHBondContact O-N 3.22Å; A698-L700 PolarHBondContact O-N 3.05Å; A698-L700 VanDerWaalsContact O-N 3.13Å
701I90.5Very high88.2Confident5 Ų560 Ų603%0.02631%0.31CS..SBendtrans-88.1154.2174.164.9-177.1000110.2L627 F631 A697 G703 Y708L627-I701 HydrophobicContact CD2-CD1 4.48Å; F631-I701 HydrophobicContact CE2-CG2 4.38Å; F631-I701 HydrophobicContact CZ-CG2 4.06Å; A697-I701 HydrophobicContact CB-CG2 4.03Å; A697-I701 PolarHBondContact O-N 3.11Å; I701-G703 VanDerWaalsContact CG1-O 3.29Å; I701-G703 WeakPolarHBondContact CG1-O 3.35Å; I701-G703 PolarHBondContact O-N 2.73Å; I701-Y708 HydrophobicContact CB-CE2 4.23Å; I701-Y708 HydrophobicContact CD1-CD2 4.27Å; I701-Y708 HydrophobicContact CD1-CE2 3.78Å; I701-Y708 HydrophobicContact CG1-CE2 4.2Å
702D88.2Confident88.4Confident73 Ų7361.9 Ų61.939%0.3932%0.32SS..SBendtrans-65.9-6.5-175.8-61.9-23.2000114.8H625 Q630 K668 Y708H625-D702 IonicContact CD2-OD2 3.41Å; H625-D702 IonicContact CE1-OD2 3.81Å; H625-D702 IonicContact NE2-OD2 2.83Å; H625-D702 PolarHBondContact NE2-OD2 3.47Å; Q630-D702 VanDerWaalsContact OE1-N 3.08Å; Q630-D702 PolarHBondContact OE1-OD2 2.89Å; K668-D702 VanDerWaalsContact CD-OD1 3.23Å; K668-D702 WeakPolarHBondContact CD-OD1 3.34Å; K668-D702 IonicContact NZ-OD1 3.52Å; K668-D702 PolarHBondContact NZ-OD1 2.81Å; K668-D702 IonicContact NZ-OD2 3.26Å; K668-D702 PolarHBondContact NZ-OD2 2.68Å; D702-Y708 PolarHBondContact N-OH 3.25Å
703G87.4Confident88.5Confident30 Ų3063 Ų6331%0.30933%0.329SS..SBendtrans-153.2-147.9-17800000113.8I701I701-G703 VanDerWaalsContact CG1-O 3.29Å; I701-G703 WeakPolarHBondContact CG1-O 3.35Å; I701-G703 PolarHBondContact O-N 2.73Å
704E89Confident88.6Confident129 Ų12966.4 Ų66.460%0.60334%0.344SS*.  trans-103161.1169.8-66.4-169.117600111.3K706 D707 Y708E704-K706 PolarHBondContact O-N 2.76Å; E704-D707 PolarHBondContact N-OD2 2.9Å; E704-D707 WeakPolarHBondContact O-CB 3.36Å; E704-D707 PolarHBondContact O-N 2.82Å; E704-Y708 VanDerWaalsContact O-CD2 3.26Å; E704-Y708 WeakPolarHBondContact O-CD2 3.31Å
705Y87.6Confident88.9Confident58 Ų5862.1 Ų62.123%0.22733%0.33CS..G310 helixtrans-55.2-31.4-179.488.6-91.6000113.2N696 D707 Y708 L709N696-Y705 WeakPolarHBondContact ND2-CD1 3.42Å; Y705-D707 PolarHBondContact O-N 3.44Å; Y705-Y708 PolarHBondContact O-N 2.87Å; Y705-Y708 VanDerWaalsContact O-N 3.17Å; Y705-L709 HydrophobicContact CE2-CD1 4.26Å
706K90.9Very high89.2Confident121 Ų12157 Ų5753%0.52630%0.304SS..G310 helixtrans-64.5-28.7180-66.8-178.6-178.2172.20112.8E704 Y708 L709E704-K706 PolarHBondContact O-N 2.76Å; K706-Y708 PolarHBondContact O-N 3.02Å; K706-L709 HydrophobicContact CB-CD1 4.5Å; K706-L709 WeakPolarHBondContact O-CB 3.5Å; K706-L709 PolarHBondContact O-N 3.5Å
707D91.3Very high88.8Confident106 Ų10657.1 Ų57.157%0.56732%0.315SS*.G310 helixtrans-70.6-18.3179.2-57.1-39.5000112E704 Y705E704-D707 PolarHBondContact N-OD2 2.9Å; E704-D707 WeakPolarHBondContact O-CB 3.36Å; E704-D707 PolarHBondContact O-N 2.82Å; Y705-D707 PolarHBondContact O-N 3.44Å
708Y93.8Very high88.1Confident11 Ų1161.1 Ų61.14%0.04334%0.335CS..G310 helixtrans-96.66.7177.3-59.5-90.8000112.8R494 H625 L627 Q630 I701 D702 E704 Y705 K706R494-Y708 WeakPolarHBondContact CB-O 3.27Å; R494-Y708 PolarHBondContact N-O 3.25Å; H625-Y708 AromaticContact CE1-CE1 3.74Å; H625-Y708 AromaticContact ND1-CE1 3.82Å; L627-Y708 HydrophobicContact CD2-CD1 3.98Å; L627-Y708 HydrophobicContact CD2-CD2 3.84Å; L627-Y708 HydrophobicContact CD2-CE1 4.4Å; L627-Y708 HydrophobicContact CD2-CE2 4.29Å; L627-Y708 HydrophobicContact CD2-CG 3.68Å; L627-Y708 HydrophobicContact CG-CD1 3.91Å; L627-Y708 HydrophobicContact CG-CG 3.85Å; Q630-Y708 PolarHBondContact NE2-OH 3.29Å; Q630-Y708 PolarHBondContact OE1-OH 3.03Å; I701-Y708 HydrophobicContact CB-CE2 4.23Å; I701-Y708 HydrophobicContact CD1-CD2 4.27Å; I701-Y708 HydrophobicContact CD1-CE2 3.78Å; I701-Y708 HydrophobicContact CG1-CE2 4.2Å; D702-Y708 PolarHBondContact N-OH 3.25Å; E704-Y708 VanDerWaalsContact O-CD2 3.26Å; E704-Y708 WeakPolarHBondContact O-CD2 3.31Å; Y705-Y708 PolarHBondContact O-N 2.87Å; Y705-Y708 VanDerWaalsContact O-N 3.17Å; K706-Y708 PolarHBondContact O-N 3.02Å
709L94.8Very high86.1Confident55 Ų5565.1 Ų65.129%0.28835%0.354SS..BIsolated β-bridgetrans-79.1130.7174.1-63.9178.7000110.8D491 I492 L493 Y705 K706D491-L709 HydrophobicContact CB-CD2 3.8Å; I492-L709 CarbonylContact O-C 3.56Å; I492-L709 WeakPolarHBondContact O-CA 3.42Å; L493-L709 HydrophobicContact CD2-CD2 3.8Å; Y705-L709 HydrophobicContact CE2-CD1 4.26Å; K706-L709 HydrophobicContact CB-CD1 4.5Å; K706-L709 WeakPolarHBondContact O-CB 3.5Å; K706-L709 PolarHBondContact O-N 3.5Å
710A94.2Very high83.8Confident10 Ų1066.4 Ų66.48%0.08337%0.367CS..  trans-94.1142.8172.600000109.7I492 H712 D715I492-A710 HydrophobicContact CB-CB 4.13Å; I492-A710 HydrophobicContact CG2-CB 3.69Å; I492-A710 PolarHBondContact O-N 2.93Å; A710-H712 VanDerWaalsContact C-N 3.33Å; A710-D715 HydrophobicContact CB-CB 3.95Å
711S92.9Very high81.1Confident98 Ų9869.6 Ų69.669%0.68540%0.4SS*.SBendtrans-73.4-26.9-179.457.80000113.2D715S711-D715 PolarHBondContact N-OD2 3.42Å; S711-D715 PolarHBondContact OG-OD2 2.84Å
712H92.8Very high78.2Confident84 Ų8481 Ų8139%0.38944%0.443SS..SBendtrans-152.7163.1175.866.993.7000110.4A710 F714 D715A710-H712 VanDerWaalsContact C-N 3.33Å; H712-F714 PolarHBondContact CE1-O 3.43Å; H712-F714 VanDerWaalsContact CE1-O 3.32Å; H712-F714 VanDerWaalsContact ND1-C 3.35Å; H712-F714 WeakPolarHBondContact ND1-CA 3.3Å; H712-F714 WeakPolarHBondContact ND1-CB 3.34Å; H712-F714 PolarHBondContact ND1-N 3.28Å; H712-F714 VanDerWaalsContact ND1-N 3.18Å; H712-F714 PolarHBondContact O-N 3.5Å; H712-F714 VanDerWaalsContact O-N 3.1Å; H712-D715 VanDerWaalsContact CE1-CA 3.48Å; H712-D715 WeakPolarHBondContact CE1-CA 3.48Å; H712-D715 PolarHBondContact CE1-N 2.88Å; H712-D715 PolarHBondContact ND1-N 3.01Å; H712-D715 WeakPolarHBondContact O-CB 3.28Å; H712-D715 PolarHBondContact O-N 3.3Å
713P90.9Very high75.3Confident40 Ų4080.6 Ų80.626%0.2646%0.456SS..THydrogen-bonded Turntrans-60.2-28.4-174.7-26.635.6000114.2I492 N507 T531I492-P713 HydrophobicContact CD1-CG 3.89Å; N507-P713 PolarHBondContact ND2-O 3.43Å; T531-P713 HydrophobicContact CG2-CB 4.45Å; T531-P713 WeakPolarHBondContact CG2-O 3.48Å
714F90.6Very high72.4Confident74 Ų7487.6 Ų87.633%0.32548%0.483SS..THydrogen-bonded Turntrans-92.910.2179.8-54.5-72.3000114.2T531 L533 Y541 H712 T716T531-F714 HydrophobicContact CG2-CD1 3.64Å; T531-F714 HydrophobicContact CG2-CE1 3.55Å; T531-F714 HydrophobicContact CG2-CZ 4.42Å; L533-F714 HydrophobicContact CD2-CB 4.03Å; L533-F714 HydrophobicContact CD2-CD1 3.87Å; L533-F714 HydrophobicContact CD2-CG 4.46Å; Y541-F714 HydrophobicContact CD2-CD1 4.18Å; Y541-F714 AromaticContact CD2-CE1 3.32Å; Y541-F714 HydrophobicContact CD2-CE1 3.32Å; Y541-F714 AromaticContact CD2-CZ 3.99Å; Y541-F714 HydrophobicContact CD2-CZ 3.99Å; Y541-F714 AromaticContact CE2-CE1 3.71Å; Y541-F714 HydrophobicContact CE2-CE1 3.71Å; Y541-F714 AromaticContact CE2-CZ 3.91Å; Y541-F714 HydrophobicContact CE2-CZ 3.91Å; Y541-F714 HydrophobicContact CG-CD1 4.32Å; Y541-F714 AromaticContact CG-CE1 3.9Å; Y541-F714 HydrophobicContact CG-CE1 3.9Å; H712-F714 PolarHBondContact CE1-O 3.43Å; H712-F714 VanDerWaalsContact CE1-O 3.32Å; H712-F714 VanDerWaalsContact ND1-C 3.35Å; H712-F714 WeakPolarHBondContact ND1-CA 3.3Å; H712-F714 WeakPolarHBondContact ND1-CB 3.34Å; H712-F714 PolarHBondContact ND1-N 3.28Å; H712-F714 VanDerWaalsContact ND1-N 3.18Å; H712-F714 PolarHBondContact O-N 3.5Å; H712-F714 VanDerWaalsContact O-N 3.1Å; F714-T716 PolarHBondContact O-N 2.9Å
715D91.4Very high69.6Low24 Ų2487.1 Ų87.113%0.12849%0.494CS..  trans-73.5119.8-175-178-8.8000110.7R494 N507 A710 S711 H712 G717R494-D715 VanDerWaalsContact NH2-CG 3.34Å; R494-D715 IonicContact NH2-OD1 3.81Å; R494-D715 PolarHBondContact NH2-OD1 3.26Å; R494-D715 IonicContact NH2-OD2 2.73Å; R494-D715 PolarHBondContact NH2-OD2 3Å; N507-D715 PolarHBondContact ND2-O 3.41Å; A710-D715 HydrophobicContact CB-CB 3.95Å; S711-D715 PolarHBondContact N-OD2 3.42Å; S711-D715 PolarHBondContact OG-OD2 2.84Å; H712-D715 VanDerWaalsContact CE1-CA 3.48Å; H712-D715 WeakPolarHBondContact CE1-CA 3.48Å; H712-D715 PolarHBondContact CE1-N 2.88Å; H712-D715 PolarHBondContact ND1-N 3.01Å; H712-D715 WeakPolarHBondContact O-CB 3.28Å; H712-D715 PolarHBondContact O-N 3.3Å; D715-G717 WeakPolarHBondContact OD1-CA 3.39Å; D715-G717 PolarHBondContact OD1-N 3.47Å
716T88.1Confident66.9Low32 Ų3295.6 Ų95.620%0.19653%0.526CS..  trans-91.8-1.4-179.158.40000113.5H499 L533 F714 M718H499-T716 VanDerWaalsContact CE1-CG2 3.49Å; H499-T716 WeakPolarHBondContact CE1-CG2 3.47Å; L533-T716 HydrophobicContact CD1-CG2 4Å; F714-T716 PolarHBondContact O-N 2.9Å; T716-M718 PolarHBondContact O-N 2.93Å
717G73.7Confident64.2Low46 Ų4698.6 Ų98.647%0.47454%0.541SS..SBendtrans73.66.2-174.200000113.8D715D715-G717 WeakPolarHBondContact OD1-CA 3.39Å; D715-G717 PolarHBondContact OD1-N 3.47Å
718M66.8Low61.3Low85 Ų85105.2 Ų105.242%0.41958%0.575SS.*  trans-94.597.8174.2-64.5-102.7-84.300108.3R500 T716 L720R500-M718 HydrophobicContact CG-CE 4.44Å; R500-M718 HydrophobicContact CG-SD 3.99Å; R500-M718 VanDerWaalsContact CZ-SD 3.51Å; R500-M718 PolarHBondContact NE-SD 2.94Å; R500-M718 PolarHBondContact NH2-SD 3.02Å; T716-M718 PolarHBondContact O-N 2.93Å; M718-L720 PolarHBondContact O-N 2.91Å
719T41.9Very low59.7Low136 Ų136109.9 Ų109.983%0.83460%0.602SS**  trans-57.2115.4163.547.60000107.9G721T719-G721 PolarHBondContact O-N 3.42Å
720L35.8Very low57.9Low175 Ų175112.8 Ų112.892%0.91662%0.618SS**  trans-48.6113.3164.1-93.7135.2000107.1M718 R722M718-L720 PolarHBondContact O-N 2.91Å; L720-R722 PolarHBondContact O-N 2.62Å; L720-R722 VanDerWaalsContact O-N 3.14Å
721G30.5Very low55.9Low69 Ų69118.5 Ų118.571%0.71165%0.648SS**  trans-50.7123.4-176.800000109.8T719 G723T719-G721 PolarHBondContact O-N 3.42Å; G721-G723 PolarHBondContact O-N 3.38Å
722R29.3Very low53.7Low244 Ų244119.7 Ų119.792%0.92165%0.646SS**  trans-44.2107.6163.1-158.3178.2-168.8-169.12.8106.8L720 M724L720-R722 PolarHBondContact O-N 2.62Å; L720-R722 VanDerWaalsContact O-N 3.14Å; R722-M724 PolarHBondContact O-N 2.85Å
723G27.1Very low51.2Low66 Ų66121.9 Ų121.968%0.6866%0.662SS**  trans-53.2116.9177.100000108.1G721 S725G721-G723 PolarHBondContact O-N 3.38Å; G723-S725 PolarHBondContact O-N 3.15Å; G723-S725 VanDerWaalsContact O-N 3.1Å
724M27.1Very low48.6Very low177 Ų177127.4 Ų127.487%0.87269%0.689SS**  trans-59.4114.7159.1-74.1-171.969.600105.9R722 R726R722-M724 PolarHBondContact O-N 2.85Å; M724-R726 PolarHBondContact O-N 3.38Å
725S30.8Very low45.6Very low118 Ų118131.2 Ų131.283%0.82572%0.715SS**  trans-47106.5160.8-45.80000107.6G723G723-S725 PolarHBondContact O-N 3.15Å; G723-S725 VanDerWaalsContact O-N 3.1Å
726R31.2Very low42.1Very low237 Ų237139.5 Ų139.589%0.89476%0.76SS**  trans-98.3103.8160-102.9-176.8162-173.5-5.5105.9M724 L728M724-R726 PolarHBondContact O-N 3.38Å; R726-L728 PolarHBondContact O-N 3.07Å
727E32.2Very low38.2Very low183 Ų183148.4 Ų148.486%0.85581%0.807SS**  trans-51.6118.6154.2-68.5177.2150.700108.6
728L32.5Very low35Very low245 Ų245157.7 Ų157.7100%1.28384%0.837SS**  trans176.90131.9-96.2154.6000109.6R726R726-L728 PolarHBondContact O-N 3.07Å

Retrieved 728 of 728 residues in 147.3 ms (Link to these results)

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