A0A5K4F9T5_SCHMA Loading...

Mediator of RNA polymerase II transcription subunit 13

AlphaFold DB , UniProt , Accession A0A5K4F9T5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 250 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
1M82.1Confident91.8Very high102 Ų10288.8 Ų88.850%0.50243%0.428SS..  0-44.60-72.4-65.9-117.500112.1L3 A4 E5 L38 S73 F75 A106M1-L3 PolarHBondContact O-N 2.91Å; M1-L3 VanDerWaalsContact O-N 3.16Å; M1-A4 CarbonylContact O-C 3.52Å; M1-A4 WeakPolarHBondContact O-CA 3.23Å; M1-A4 WeakPolarHBondContact O-CB 3.48Å; M1-A4 PolarHBondContact O-N 3.06Å; M1-E5 PolarHBondContact O-N 3.4Å; M1-L38 HydrophobicContact CE-CD1 3.58Å; M1-S73 WeakPolarHBondContact CB-O 3.36Å; M1-S73 WeakPolarHBondContact CG-O 3.33Å; M1-F75 HydrophobicContact CB-CD2 4.1Å; M1-F75 HydrophobicContact CB-CE2 4.07Å; M1-F75 HydrophobicContact CE-CE2 4.22Å; M1-F75 HydrophobicContact SD-CE2 4.29Å; M1-A106 HydrophobicContact CE-CB 4.49Å
2H83.8Confident92Very high104 Ų10481.4 Ų81.448%0.48139%0.392SS..Hα-helixtrans-50.5-38.3173.5-161.961000115.1A4 E5 F6 G74H2-A4 VanDerWaalsContact C-N 3.33Å; H2-A4 PolarHBondContact O-N 3.38Å; H2-E5 IonicContact CE1-OE2 3.67Å; H2-E5 IonicContact CG-OE2 3.93Å; H2-E5 IonicContact ND1-OE2 2.9Å; H2-E5 PolarHBondContact ND1-OE2 3.45Å; H2-E5 WeakPolarHBondContact O-CB 3.45Å; H2-E5 PolarHBondContact O-N 3.3Å; H2-F6 PolarHBondContact O-N 2.7Å; H2-G74 WeakPolarHBondContact CA-O 3.43Å; H2-G74 PolarHBondContact N-O 2.73Å
3L90.1Very high92.2Very high126 Ų12675.2 Ų75.266%0.6636%0.362SS*.Hα-helixtrans-60.5-42.1172.4-167.372.7000112M1 H7M1-L3 PolarHBondContact O-N 2.91Å; M1-L3 VanDerWaalsContact O-N 3.16Å; L3-H7 WeakPolarHBondContact CD1-CD2 3.49Å; L3-H7 VanDerWaalsContact CD1-NE2 3.34Å; L3-H7 WeakPolarHBondContact CD1-NE2 3.39Å; L3-H7 VanDerWaalsContact O-CB 3.28Å; L3-H7 WeakPolarHBondContact O-CB 3.45Å; L3-H7 PolarHBondContact O-CD2 3.31Å; L3-H7 PolarHBondContact O-N 3.36Å
4A91.9Very high92.3Very high32 Ų3270.3 Ų70.326%0.26434%0.339SS..Hα-helixtrans-70.7-38.4177.200000112.1M1 H2 F6 Y8M1-A4 CarbonylContact O-C 3.52Å; M1-A4 WeakPolarHBondContact O-CA 3.23Å; M1-A4 WeakPolarHBondContact O-CB 3.48Å; M1-A4 PolarHBondContact O-N 3.06Å; H2-A4 VanDerWaalsContact C-N 3.33Å; H2-A4 PolarHBondContact O-N 3.38Å; A4-F6 PolarHBondContact O-N 3.35Å; A4-Y8 HydrophobicContact CB-CD2 4.4Å; A4-Y8 WeakPolarHBondContact O-CB 3.47Å; A4-Y8 PolarHBondContact O-N 2.92Å
5E93Very high92.4Very high22 Ų2265.6 Ų65.610%0.10332%0.316CS..Hα-helixtrans-52.5-54.1172.1178.7-179.1-162.900110.7M1 H2 N9 L10 F75 S76M1-E5 PolarHBondContact O-N 3.4Å; H2-E5 IonicContact CE1-OE2 3.67Å; H2-E5 IonicContact CG-OE2 3.93Å; H2-E5 IonicContact ND1-OE2 2.9Å; H2-E5 PolarHBondContact ND1-OE2 3.45Å; H2-E5 WeakPolarHBondContact O-CB 3.45Å; H2-E5 PolarHBondContact O-N 3.3Å; E5-N9 WeakPolarHBondContact O-CA 3.2Å; E5-N9 PolarHBondContact O-N 3.25Å; E5-N9 VanDerWaalsContact O-N 3.1Å; E5-L10 PolarHBondContact O-N 3.45Å; E5-F75 HydrophobicContact CB-CD1 3.73Å; E5-F75 HydrophobicContact CB-CE1 3.53Å; E5-F75 HydrophobicContact CB-CG 4.36Å; E5-F75 HydrophobicContact CB-CZ 4.01Å; E5-F75 HydrophobicContact CG-CD1 3.55Å; E5-F75 HydrophobicContact CG-CE1 3.68Å; E5-F75 HydrophobicContact CG-CG 4.42Å; E5-F75 WeakPolarHBondContact OE2-CA 3.4Å; E5-S76 VanDerWaalsContact CD-N 3.34Å; E5-S76 WeakPolarHBondContact OE1-CB 3.44Å; E5-S76 PolarHBondContact OE1-N 3.2Å; E5-S76 PolarHBondContact OE1-OG 3.12Å; E5-S76 PolarHBondContact OE2-N 3.27Å
6F91Very high92.2Very high161 Ų16164.4 Ų64.471%0.70631%0.31SS*.Hα-helixtrans-68.3-51.8-178.4-176.6-100000112.6H2 A4 Y8 N9H2-F6 PolarHBondContact O-N 2.7Å; A4-F6 PolarHBondContact O-N 3.35Å; F6-Y8 VanDerWaalsContact C-N 3.34Å; F6-Y8 PolarHBondContact O-N 3.39Å; F6-N9 PolarHBondContact O-N 3.38Å
7H94.9Very high91.9Very high124 Ų12463.1 Ų63.157%0.57431%0.305SS*.Hα-helixtrans-69.2-28.6-172.7-81.9-96.9000114L3L3-H7 WeakPolarHBondContact CD1-CD2 3.49Å; L3-H7 VanDerWaalsContact CD1-NE2 3.34Å; L3-H7 WeakPolarHBondContact CD1-NE2 3.39Å; L3-H7 VanDerWaalsContact O-CB 3.28Å; L3-H7 WeakPolarHBondContact O-CB 3.45Å; L3-H7 PolarHBondContact O-CD2 3.31Å; L3-H7 PolarHBondContact O-N 3.36Å
8Y95.3Very high91.7Very high172 Ų17260.2 Ų60.268%0.67529%0.291SS*.Hα-helixtrans-110.17-178.5-65.4-75.2000113.6A4 F6 L10A4-Y8 HydrophobicContact CB-CD2 4.4Å; A4-Y8 WeakPolarHBondContact O-CB 3.47Å; A4-Y8 PolarHBondContact O-N 2.92Å; F6-Y8 VanDerWaalsContact C-N 3.34Å; F6-Y8 PolarHBondContact O-N 3.39Å; Y8-L10 VanDerWaalsContact C-N 3.3Å; Y8-L10 PolarHBondContact O-N 2.97Å
9N95.9Very high91.1Very high82 Ų8261.3 Ų61.344%0.43930%0.304SS..THydrogen-bonded Turntrans48.653.1-175.9-16738.5000111.6E5 F6 A41E5-N9 WeakPolarHBondContact O-CA 3.2Å; E5-N9 PolarHBondContact O-N 3.25Å; E5-N9 VanDerWaalsContact O-N 3.1Å; F6-N9 PolarHBondContact O-N 3.38Å; N9-A41 VanDerWaalsContact O-CB 3.31Å; N9-A41 WeakPolarHBondContact O-CB 3.27Å; N9-A41 PolarHBondContact O-N 3.07Å; N9-A41 WeakPolarHBondContact OD1-CB 3.26Å
10L96.4Very high90.1Very high37 Ų3759.8 Ų59.819%0.19430%0.296CS..EExtended strand (participates in β ladder)trans-94.1160.6-178.1-60.9175.1000110.8E5 Y8 H39 F75E5-L10 PolarHBondContact O-N 3.45Å; Y8-L10 VanDerWaalsContact C-N 3.3Å; Y8-L10 PolarHBondContact O-N 2.97Å; L10-H39 CarbonylContact C-O 3.58Å; L10-H39 VanDerWaalsContact CA-O 3.31Å; L10-H39 WeakPolarHBondContact CA-O 3.48Å; L10-F75 HydrophobicContact CB-CE1 3.67Å; L10-F75 HydrophobicContact CB-CZ 3.9Å; L10-F75 HydrophobicContact CD1-CZ 4.4Å
11S95.1Very high89Confident15 Ų1566.5 Ų66.511%0.10532%0.323CS..EExtended strand (participates in β ladder)trans-140.3158.5170.8-64.50000110.6L38 H39 A41 H44S11-L38 WeakPolarHBondContact O-CA 3.47Å; S11-H39 PolarHBondContact N-O 3.11Å; S11-H39 PolarHBondContact O-N 2.95Å; S11-H39 VanDerWaalsContact O-N 3.11Å; S11-A41 WeakPolarHBondContact OG-CA 3.3Å; S11-A41 WeakPolarHBondContact OG-CB 3.24Å; S11-H44 VanDerWaalsContact CB-CE1 3.47Å; S11-H44 WeakPolarHBondContact CB-CE1 3.18Å; S11-H44 WeakPolarHBondContact CB-ND1 3.3Å
12S94.8Very high88Confident0 Ų068 Ų680%033%0.329CS..EExtended strand (participates in β ladder)trans-110.6134.9-175.9-176.30000112.8E36 I37 H44 T78 L79S12-E36 WeakPolarHBondContact CB-OE1 3.45Å; S12-E36 WeakPolarHBondContact OG-CG 3.44Å; S12-E36 PolarHBondContact OG-OE1 3.14Å; S12-I37 WeakPolarHBondContact CA-O 3.37Å; S12-H44 PolarHBondContact O-CE1 3.25Å; S12-H44 PolarHBondContact O-NE2 3.16Å; S12-T78 WeakPolarHBondContact O-CA 3.34Å; S12-L79 PolarHBondContact O-N 3.46Å
13T95Very high86.7Confident1 Ų164.9 Ų64.91%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-126.7125.7173.2-60.20000109.7I37 H39 H44 L79 I81T13-I37 PolarHBondContact N-O 3.41Å; T13-I37 WeakPolarHBondContact O-CG1 3.39Å; T13-I37 PolarHBondContact O-N 3.42Å; T13-H39 PolarHBondContact OG1-NE2 2.87Å; T13-H44 PolarHBondContact OG1-NE2 3.12Å; T13-L79 CarbonylContact C-O 3.56Å; T13-L79 VanDerWaalsContact CA-O 3.28Å; T13-L79 WeakPolarHBondContact CA-O 3.33Å; T13-I81 HydrophobicContact CG2-CG2 3.57Å
14L93.4Very high84.9Confident6 Ų662.8 Ų62.83%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-89.8111.2171.6-174.171.7000109.5Q16 E36 I58 I68 T78 L79 G80 I81L14-Q16 HydrophobicContact CD2-CG 3.93Å; L14-Q16 HydrophobicContact CG-CG 3.99Å; L14-Q16 PolarHBondContact O-N 2.89Å; L14-E36 HydrophobicContact CD1-CB 4.04Å; L14-I58 HydrophobicContact CB-CD1 3.68Å; L14-I58 HydrophobicContact CD2-CD1 3.4Å; L14-I58 VanDerWaalsContact CD2-CD1 3.4Å; L14-I58 HydrophobicContact CG-CD1 4.17Å; L14-I68 HydrophobicContact CD2-CG2 4.3Å; L14-T78 HydrophobicContact CB-CG2 3.85Å; L14-L79 PolarHBondContact N-O 3.09Å; L14-G80 WeakPolarHBondContact O-CA 3.34Å; L14-I81 PolarHBondContact O-N 3.47Å
15V93.6Very high83Confident0 Ų068.5 Ų68.50%034%0.342CS..EExtended strand (participates in β ladder)trans-79.8113.5170.2179.90000108.4I18 G34 V35 I37 I81 W83 L128V15-I18 HydrophobicContact CB-CD1 4.37Å; V15-I18 HydrophobicContact CG1-CD1 4.03Å; V15-I18 HydrophobicContact CG1-CG1 3.98Å; V15-G34 CarbonylContact O-C 3.53Å; V15-G34 WeakPolarHBondContact O-CA 3.39Å; V15-V35 PolarHBondContact N-O 3.4Å; V15-V35 PolarHBondContact O-N 3.26Å; V15-I37 HydrophobicContact CG2-CD1 4.05Å; V15-I37 HydrophobicContact CG2-CG1 4.29Å; V15-I81 CarbonylContact C-O 3.38Å; V15-I81 WeakPolarHBondContact CA-O 3.38Å; V15-W83 HydrophobicContact CG1-CB 4.47Å; V15-L128 HydrophobicContact CG1-CD2 3.69Å; V15-L128 HydrophobicContact CG2-CD1 4.15Å; V15-L128 HydrophobicContact CG2-CD2 4.13Å
16Q89.8Confident80.8Confident47 Ų4771.6 Ų71.622%0.2236%0.362CS..EExtended strand (participates in β ladder)trans-102170.9-175.7-61.4178.2-46.900111.8L14 I18 I81 K82 W83L14-Q16 HydrophobicContact CD2-CG 3.93Å; L14-Q16 HydrophobicContact CG-CG 3.99Å; L14-Q16 PolarHBondContact O-N 2.89Å; Q16-I18 VanDerWaalsContact C-N 3.27Å; Q16-I18 PolarHBondContact O-N 2.93Å; Q16-I81 PolarHBondContact N-O 3.09Å; Q16-K82 HydrophobicContact CB-CG 4.41Å; Q16-W83 VanDerWaalsContact O-CB 3.27Å; Q16-W83 WeakPolarHBondContact O-CB 3.35Å; Q16-W83 PolarHBondContact O-N 2.93Å
17D86.6Confident78.9Confident41 Ų4172.3 Ų72.322%0.21937%0.373CS..EExtended strand (participates in β ladder)trans59.931.8172.7-59.4-2000114P19 M32 K82D17-P19 WeakPolarHBondContact O-CD 3.29Å; D17-M32 HydrophobicContact CB-CE 4.37Å; D17-M32 HydrophobicContact CB-SD 3.58Å; D17-M32 VanDerWaalsContact CB-SD 3.58Å; D17-M32 WeakPolarHBondContact OD1-CE 3.27Å; D17-M32 VanDerWaalsContact OD1-SD 3.35Å; D17-K82 VanDerWaalsContact OD2-CD 3.22Å; D17-K82 WeakPolarHBondContact OD2-CD 3.43Å; D17-K82 VanDerWaalsContact OD2-CE 3.23Å; D17-K82 WeakPolarHBondContact OD2-CE 3.45Å; D17-K82 IonicContact OD2-NZ 3.52Å; D17-K82 PolarHBondContact OD2-NZ 2.95Å
18I87.4Confident76.5Confident11 Ų1170.5 Ų70.56%0.05637%0.374CS..EExtended strand (participates in β ladder)trans-72.8120.6-179.7-57.1172.5000110.1V15 Q16 M20 Y33 V35 W83 L116V15-I18 HydrophobicContact CB-CD1 4.37Å; V15-I18 HydrophobicContact CG1-CD1 4.03Å; V15-I18 HydrophobicContact CG1-CG1 3.98Å; Q16-I18 VanDerWaalsContact C-N 3.27Å; Q16-I18 PolarHBondContact O-N 2.93Å; I18-M20 PolarHBondContact O-N 3.47Å; I18-Y33 WeakPolarHBondContact CG1-O 3.05Å; I18-Y33 PolarHBondContact N-O 3.41Å; I18-V35 HydrophobicContact CD1-CB 3.83Å; I18-V35 HydrophobicContact CD1-CG2 3.59Å; I18-W83 HydrophobicContact CB-CE3 4.49Å; I18-W83 HydrophobicContact CG1-CB 4.49Å; I18-W83 HydrophobicContact CG1-CE3 4.05Å; I18-W83 HydrophobicContact CG2-CE3 4.16Å; I18-W83 HydrophobicContact CG2-CZ3 4.29Å; I18-L116 HydrophobicContact CD1-CD2 4.36Å
19P81.5Confident74Confident82 Ų8265.8 Ų65.853%0.53238%0.378SS..  trans-76.6122176.930.1-32.5000110.7D17D17-P19 WeakPolarHBondContact O-CD 3.29Å
20M71Confident71.6Confident30 Ų3065.7 Ų65.715%0.14838%0.384CS..  trans-109.7127.1172.9-70.4-173.660.900110.4I18 E22 E23 Y33 A112 C115I18-M20 PolarHBondContact O-N 3.47Å; M20-E22 PolarHBondContact O-N 3.17Å; M20-E23 PolarHBondContact O-N 2.86Å; M20-Y33 HydrophobicContact CG-CD2 4.06Å; M20-Y33 HydrophobicContact CG-CE2 4.46Å; M20-Y33 HydrophobicContact SD-CD1 4.25Å; M20-Y33 HydrophobicContact SD-CD2 3.39Å; M20-Y33 WeakPolarHBondContact SD-CD2 3.47Å; M20-Y33 HydrophobicContact SD-CE2 3.63Å; M20-Y33 HydrophobicContact SD-CG 3.76Å; M20-A112 HydrophobicContact SD-CB 4.29Å; M20-C115 HydrophobicContact CE-CB 4.43Å
21K67.1Low69.3Low201 Ų20166.4 Ų66.487%0.87439%0.392SS*.G310 helixtrans-59.6-29.5-174.4-171.8179.4178.3-174.60113.3
22E61.1Low67.6Low133 Ų13370.9 Ų70.962%0.62141%0.413SS*.G310 helixtrans-82.7-14.5-169.9-66.3-177.9-127.900114.2M20 R111M20-E22 PolarHBondContact O-N 3.17Å; E22-R111 IonicContact OE1-NH2 2.99Å; E22-R111 PolarHBondContact OE1-NH2 2.71Å; E22-R111 IonicContact OE2-CZ 2.73Å; E22-R111 IonicContact OE2-NH2 3.18Å; E22-R111 PolarHBondContact OE2-NH2 3.39Å
23E54.9Low66.9Low40 Ų4073 Ų7319%0.18742%0.421CS..G310 helixtrans-94.5-8.2180-59-149155.300114.1M20 N25 V26 S31 Y33M20-E23 PolarHBondContact O-N 2.86Å; E23-N25 PolarHBondContact O-N 3.3Å; E23-N25 VanDerWaalsContact O-N 3.14Å; E23-V26 PolarHBondContact O-N 3.01Å; E23-S31 PolarHBondContact OE1-OG 3.43Å; E23-S31 WeakPolarHBondContact OE2-CA 3.32Å; E23-S31 WeakPolarHBondContact OE2-CB 3.37Å; E23-S31 PolarHBondContact OE2-N 3.43Å; E23-S31 PolarHBondContact OE2-OG 2.85Å; E23-Y33 VanDerWaalsContact CD-CE2 3.41Å; E23-Y33 HydrophobicContact CG-CE2 4.26Å; E23-Y33 WeakPolarHBondContact OE1-CE2 3.16Å; E23-Y33 VanDerWaalsContact OE1-CZ 3.25Å; E23-Y33 PolarHBondContact OE1-OH 3.5Å; E23-Y33 WeakPolarHBondContact OE2-CE2 3.48Å
24A53.3Low66.5Low82 Ų8273.4 Ų73.468%0.67843%0.425SS*.THydrogen-bonded Turntrans-67.4-13179.800000113.4
25N51.9Low66.5Low152 Ų15273.2 Ų73.281%0.81342%0.424SS*.THydrogen-bonded Turntrans-98.3-1.2-176.7-93.513.8000114.7E23E23-N25 PolarHBondContact O-N 3.3Å; E23-N25 VanDerWaalsContact O-N 3.14Å
26V47.7Very low66.5Low86 Ų8673.9 Ų73.952%0.52143%0.427SS..SBendtrans-102.1124.1174.1-156.90000106.5E23 S28E23-V26 PolarHBondContact O-N 3.01Å; V26-S28 CarbonylContact O-C 3.53Å; V26-S28 PolarHBondContact O-N 3.11Å; V26-S28 VanDerWaalsContact O-O 3.08Å
27N51Low66.8Low177 Ų17771.6 Ų71.695%0.94742%0.417SS*.SBendtrans-62.210.6172.3-68.131000113.2
28S43.1Very low67.2Low85 Ų8570.1 Ų70.159%0.59441%0.409SS*.SBendtrans-94.2109.1167.7-51.10000106.7V26 S30V26-S28 CarbonylContact O-C 3.53Å; V26-S28 PolarHBondContact O-N 3.11Å; V26-S28 VanDerWaalsContact O-O 3.08Å; S28-S30 PolarHBondContact O-N 3.04Å
29G43.6Very low67.7Low73 Ų7369.7 Ų69.775%0.75341%0.407SS*.  trans-38.8131.2-170.300000113.9S31G29-S31 PolarHBondContact O-N 3.45Å
30S44.7Very low68.5Low81 Ų8171.9 Ų71.957%0.56640%0.404SS*.  trans-40109.7179.356.70000110.4S28 M32S28-S30 PolarHBondContact O-N 3.04Å; S30-M32 PolarHBondContact O-N 2.77Å
31S48.3Very low69.7Low51 Ų5170.8 Ų70.836%0.35740%0.4SS..  trans-72.8108.8-178.775.80000106.7E23 G29 Y33E23-S31 PolarHBondContact OE1-OG 3.43Å; E23-S31 WeakPolarHBondContact OE2-CA 3.32Å; E23-S31 WeakPolarHBondContact OE2-CB 3.37Å; E23-S31 PolarHBondContact OE2-N 3.43Å; E23-S31 PolarHBondContact OE2-OG 2.85Å; G29-S31 PolarHBondContact O-N 3.45Å; S31-Y33 WeakPolarHBondContact O-CD2 3.39Å; S31-Y33 WeakPolarHBondContact O-CE2 3.49Å; S31-Y33 PolarHBondContact O-N 3.45Å; S31-Y33 VanDerWaalsContact O-N 3.17Å; S31-Y33 WeakPolarHBondContact OG-CE2 3.28Å
32M60.9Low71.1Confident110 Ų11063 Ų6354%0.54237%0.367SS..PPolyproline II helixtrans-67.5119.9-178.7-76.6-162.4-59.900109.2D17 S30D17-M32 HydrophobicContact CB-CE 4.37Å; D17-M32 HydrophobicContact CB-SD 3.58Å; D17-M32 VanDerWaalsContact CB-SD 3.58Å; D17-M32 WeakPolarHBondContact OD1-CE 3.27Å; D17-M32 VanDerWaalsContact OD1-SD 3.35Å; S30-M32 PolarHBondContact O-N 2.77Å
33Y78.8Confident72.8Confident44 Ų4456.7 Ų56.717%0.17334%0.337CS..EExtended strand (participates in β ladder)trans-83.6132-178-70.7-98.4000111.6I18 M20 E23 S31 R70 A112I18-Y33 WeakPolarHBondContact CG1-O 3.05Å; I18-Y33 PolarHBondContact N-O 3.41Å; M20-Y33 HydrophobicContact CG-CD2 4.06Å; M20-Y33 HydrophobicContact CG-CE2 4.46Å; M20-Y33 HydrophobicContact SD-CD1 4.25Å; M20-Y33 HydrophobicContact SD-CD2 3.39Å; M20-Y33 WeakPolarHBondContact SD-CD2 3.47Å; M20-Y33 HydrophobicContact SD-CE2 3.63Å; M20-Y33 HydrophobicContact SD-CG 3.76Å; E23-Y33 VanDerWaalsContact CD-CE2 3.41Å; E23-Y33 HydrophobicContact CG-CE2 4.26Å; E23-Y33 WeakPolarHBondContact OE1-CE2 3.16Å; E23-Y33 VanDerWaalsContact OE1-CZ 3.25Å; E23-Y33 PolarHBondContact OE1-OH 3.5Å; E23-Y33 WeakPolarHBondContact OE2-CE2 3.48Å; S31-Y33 WeakPolarHBondContact O-CD2 3.39Å; S31-Y33 WeakPolarHBondContact O-CE2 3.49Å; S31-Y33 PolarHBondContact O-N 3.45Å; S31-Y33 VanDerWaalsContact O-N 3.17Å; S31-Y33 WeakPolarHBondContact OG-CE2 3.28Å; Y33-R70 VanDerWaalsContact CD1-CZ 3.41Å; Y33-A112 HydrophobicContact CD1-CB 3.66Å; Y33-A112 HydrophobicContact CE1-CB 4.49Å; Y33-A112 HydrophobicContact CG-CB 4.07Å
34G87.7Confident74.8Confident10 Ų1055.1 Ų55.110%0.10333%0.33CS..EExtended strand (participates in β ladder)trans-92129.915900000111.7V15 R70V15-G34 CarbonylContact O-C 3.53Å; V15-G34 WeakPolarHBondContact O-CA 3.39Å; G34-R70 WeakPolarHBondContact O-CD 3.45Å; G34-R70 PolarHBondContact O-NH1 3.28Å
35V92.9Very high76.8Confident1 Ų154.9 Ų54.91%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-118.6125.2169.9173.30000109.2V15 I18 I37 L105 A112 L116V15-V35 PolarHBondContact N-O 3.4Å; V15-V35 PolarHBondContact O-N 3.26Å; I18-V35 HydrophobicContact CD1-CB 3.83Å; I18-V35 HydrophobicContact CD1-CG2 3.59Å; V35-I37 HydrophobicContact CG1-CG2 4.38Å; V35-L105 HydrophobicContact CG1-CD2 3.83Å; V35-A112 HydrophobicContact CG2-CB 3.78Å; V35-L116 HydrophobicContact CB-CD2 3.82Å; V35-L116 HydrophobicContact CG1-CD2 3.6Å; V35-L116 HydrophobicContact CG2-CB 4.47Å; V35-L116 HydrophobicContact CG2-CD2 4.36Å
36E93.5Very high78.8Confident14 Ų1448.3 Ų48.37%0.06528%0.282CS..EExtended strand (participates in β ladder)trans-89.5125.8-178.7-168164.1-179.800110.4S12 L14 R59 S73 T78 A106S12-E36 WeakPolarHBondContact CB-OE1 3.45Å; S12-E36 WeakPolarHBondContact OG-CG 3.44Å; S12-E36 PolarHBondContact OG-OE1 3.14Å; L14-E36 HydrophobicContact CD1-CB 4.04Å; E36-R59 IonicContact OE1-NH1 3.71Å; E36-R59 IonicContact OE2-NH1 3.31Å; E36-R59 PolarHBondContact OE2-NH1 2.95Å; E36-S73 VanDerWaalsContact CD-OG 3.25Å; E36-S73 WeakPolarHBondContact OE1-CB 3.39Å; E36-S73 PolarHBondContact OE1-OG 3.45Å; E36-S73 WeakPolarHBondContact OE2-CB 3.44Å; E36-S73 PolarHBondContact OE2-OG 3.41Å; E36-T78 HydrophobicContact CG-CG2 4.46Å; E36-T78 PolarHBondContact OE1-OG1 2.75Å; E36-A106 HydrophobicContact CB-CB 3.95Å; E36-A106 HydrophobicContact CG-CB 4.06Å; E36-A106 WeakPolarHBondContact O-CB 3.36Å; E36-A106 PolarHBondContact O-N 2.83Å
37I95.6Very high80.9Confident0 Ų044.3 Ų44.30%026%0.257CS..EExtended strand (participates in β ladder)trans-117.5142.7-178.864.7166000110.3S12 T13 V15 V35 V103 T104 L105 L116 L157 I166S12-I37 WeakPolarHBondContact CA-O 3.37Å; T13-I37 PolarHBondContact N-O 3.41Å; T13-I37 WeakPolarHBondContact O-CG1 3.39Å; T13-I37 PolarHBondContact O-N 3.42Å; V15-I37 HydrophobicContact CG2-CD1 4.05Å; V15-I37 HydrophobicContact CG2-CG1 4.29Å; V35-I37 HydrophobicContact CG1-CG2 4.38Å; I37-V103 HydrophobicContact CB-CG1 3.62Å; I37-V103 HydrophobicContact CD1-CG1 4.06Å; I37-V103 HydrophobicContact CG1-CG1 4.32Å; I37-V103 HydrophobicContact CG2-CG1 4.07Å; I37-T104 WeakPolarHBondContact CA-O 3.39Å; I37-L105 HydrophobicContact CG2-CD2 4.11Å; I37-L116 HydrophobicContact CG2-CD2 4.39Å; I37-L157 HydrophobicContact CD1-CD1 4.38Å; I37-I166 HydrophobicContact CD1-CD1 3.99Å
38L96.1Very high82.9Confident10 Ų1042 Ų425%0.05224%0.239CC..EExtended strand (participates in β ladder)trans-113135.2179.9-47.6178.3000109.5M1 S11 F75 V103 T104 A106M1-L38 HydrophobicContact CE-CD1 3.58Å; S11-L38 WeakPolarHBondContact O-CA 3.47Å; L38-F75 HydrophobicContact CD1-CE2 3.71Å; L38-F75 HydrophobicContact CD1-CZ 3.94Å; L38-F75 HydrophobicContact CD2-CD2 3.9Å; L38-F75 HydrophobicContact CD2-CE1 4.25Å; L38-F75 HydrophobicContact CD2-CE2 3.5Å; L38-F75 VanDerWaalsContact CD2-CE2 3.5Å; L38-F75 HydrophobicContact CD2-CG 4.45Å; L38-F75 HydrophobicContact CD2-CZ 3.7Å; L38-F75 HydrophobicContact CG-CE2 4.21Å; L38-F75 HydrophobicContact CG-CZ 4.28Å; L38-V103 WeakPolarHBondContact O-CA 3.42Å; L38-T104 HydrophobicContact CB-CG2 3.8Å; L38-T104 HydrophobicContact CD1-CG2 4.19Å; L38-T104 HydrophobicContact CG-CG2 4.35Å; L38-T104 PolarHBondContact N-O 3Å; L38-T104 PolarHBondContact O-N 3.46Å; L38-A106 HydrophobicContact CD1-CB 4.31Å; L38-A106 HydrophobicContact CD2-CB 4.16Å; L38-A106 HydrophobicContact CG-CB 4.12Å
39H97.5Very high85.2Confident2 Ų246.9 Ų46.91%0.00924%0.244CC..EExtended strand (participates in β ladder)trans-151176.5178.953.471.5000109.1L10 S11 T13 H44 V103 I166L10-H39 CarbonylContact C-O 3.58Å; L10-H39 VanDerWaalsContact CA-O 3.31Å; L10-H39 WeakPolarHBondContact CA-O 3.48Å; S11-H39 PolarHBondContact N-O 3.11Å; S11-H39 PolarHBondContact O-N 2.95Å; S11-H39 VanDerWaalsContact O-N 3.11Å; T13-H39 PolarHBondContact OG1-NE2 2.87Å; H39-H44 AromaticContact CE1-CD2 3.53Å; H39-H44 AromaticContact CE1-NE2 3.54Å; H39-H44 AromaticContact NE2-NE2 3.83Å; H39-V103 HydrophobicContact CB-CG2 4.23Å; H39-I166 HydrophobicContact CB-CG2 3.86Å
40R97.6Very high87.3Confident128 Ų12847.8 Ų47.848%0.48323%0.225SC..EExtended strand (participates in β ladder)trans-66.5148.9176.8-54-179.151.5158.95.4112.1E42 V43 Y101R40-E42 WeakPolarHBondContact CB-OE2 3.37Å; R40-E42 IonicContact CZ-OE1 3.74Å; R40-E42 IonicContact CZ-OE2 2.71Å; R40-E42 IonicContact NE-OE1 2.67Å; R40-E42 PolarHBondContact NE-OE1 3.4Å; R40-E42 IonicContact NE-OE2 3.83Å; R40-E42 PolarHBondContact NE-OE2 3.44Å; R40-E42 IonicContact NH2-OE1 3.34Å; R40-E42 PolarHBondContact NH2-OE1 3.48Å; R40-E42 IonicContact NH2-OE2 3.75Å; R40-E42 PolarHBondContact O-N 3.09Å; R40-V43 PolarHBondContact O-N 2.87Å; R40-Y101 HydrophobicContact CB-CD1 4.14Å; R40-Y101 HydrophobicContact CG-CD1 4.21Å
41A96.8Very high89.3Confident7 Ų746.6 Ų46.66%0.05823%0.225CC..THydrogen-bonded Turntrans-65.8-19.3-174.600000114.1N9 S11 V43 H44 D45N9-A41 VanDerWaalsContact O-CB 3.31Å; N9-A41 WeakPolarHBondContact O-CB 3.27Å; N9-A41 PolarHBondContact O-N 3.07Å; N9-A41 WeakPolarHBondContact OD1-CB 3.26Å; S11-A41 WeakPolarHBondContact OG-CA 3.3Å; S11-A41 WeakPolarHBondContact OG-CB 3.24Å; A41-V43 PolarHBondContact O-N 3.24Å; A41-V43 VanDerWaalsContact O-N 3.08Å; A41-H44 WeakPolarHBondContact O-CA 3.41Å; A41-H44 WeakPolarHBondContact O-CB 3.33Å; A41-H44 PolarHBondContact O-N 2.99Å; A41-D45 PolarHBondContact O-N 3.27Å
42E97.3Very high91.2Very high38 Ų3844.3 Ų44.318%0.17821%0.209CC..Hα-helixtrans-61.4-24.9-178.8-63.781.6178.800112.6R40 D45 M46 Y101R40-E42 WeakPolarHBondContact CB-OE2 3.37Å; R40-E42 IonicContact CZ-OE1 3.74Å; R40-E42 IonicContact CZ-OE2 2.71Å; R40-E42 IonicContact NE-OE1 2.67Å; R40-E42 PolarHBondContact NE-OE1 3.4Å; R40-E42 IonicContact NE-OE2 3.83Å; R40-E42 PolarHBondContact NE-OE2 3.44Å; R40-E42 IonicContact NH2-OE1 3.34Å; R40-E42 PolarHBondContact NH2-OE1 3.48Å; R40-E42 IonicContact NH2-OE2 3.75Å; R40-E42 PolarHBondContact O-N 3.09Å; E42-D45 PolarHBondContact O-N 2.93Å; E42-M46 WeakPolarHBondContact O-CG 3.48Å; E42-M46 PolarHBondContact O-N 3.27Å; E42-Y101 HydrophobicContact CB-CE1 4.26Å; E42-Y101 HydrophobicContact CB-CE2 4.31Å; E42-Y101 VanDerWaalsContact CB-OH 3.29Å; E42-Y101 WeakPolarHBondContact CB-OH 2.99Å
43V96.8Very high92.7Very high0 Ų040 Ų400%019%0.187CC..Hα-helixtrans-57.6-51.5169.4175.90000110.1R40 A41 M46 L47 Y101 L155 I166 V168R40-V43 PolarHBondContact O-N 2.87Å; A41-V43 PolarHBondContact O-N 3.24Å; A41-V43 VanDerWaalsContact O-N 3.08Å; V43-M46 PolarHBondContact O-N 3.34Å; V43-L47 HydrophobicContact CG1-CD1 4.41Å; V43-L47 WeakPolarHBondContact O-CG 3.18Å; V43-L47 PolarHBondContact O-N 3.14Å; V43-L47 VanDerWaalsContact O-N 3.14Å; V43-Y101 HydrophobicContact CG2-CD2 3.28Å; V43-Y101 HydrophobicContact CG2-CE2 3.77Å; V43-Y101 HydrophobicContact CG2-CG 4.09Å; V43-L155 HydrophobicContact CG1-CD1 4.35Å; V43-L155 HydrophobicContact CG1-CD2 3.88Å; V43-I166 HydrophobicContact CG1-CD1 4.47Å; V43-I166 HydrophobicContact CG2-CG2 3.93Å; V43-V168 HydrophobicContact CB-CG2 4.38Å; V43-V168 HydrophobicContact CG1-CG2 4.09Å; V43-V168 HydrophobicContact CG2-CG2 4.16Å
44H96Very high93.1Very high7 Ų744.1 Ų44.13%0.03221%0.208CC..Hα-helixtrans-65.8-38.6179.4-76.8-160.7000111.5S11 S12 T13 H39 A41 M46 L47 K48 Y53 L79S11-H44 VanDerWaalsContact CB-CE1 3.47Å; S11-H44 WeakPolarHBondContact CB-CE1 3.18Å; S11-H44 WeakPolarHBondContact CB-ND1 3.3Å; S12-H44 PolarHBondContact O-CE1 3.25Å; S12-H44 PolarHBondContact O-NE2 3.16Å; T13-H44 PolarHBondContact OG1-NE2 3.12Å; H39-H44 AromaticContact CE1-CD2 3.53Å; H39-H44 AromaticContact CE1-NE2 3.54Å; H39-H44 AromaticContact NE2-NE2 3.83Å; A41-H44 WeakPolarHBondContact O-CA 3.41Å; A41-H44 WeakPolarHBondContact O-CB 3.33Å; A41-H44 PolarHBondContact O-N 2.99Å; H44-M46 VanDerWaalsContact C-N 3.31Å; H44-M46 PolarHBondContact O-N 3.29Å; H44-L47 PolarHBondContact O-N 3.37Å; H44-K48 WeakPolarHBondContact O-CB 3.33Å; H44-K48 PolarHBondContact O-N 3.25Å; H44-Y53 HydrophobicContact CB-CD2 4.08Å; H44-Y53 HydrophobicContact CB-CE2 3.76Å; H44-Y53 AromaticContact CG-CE2 3.87Å; H44-Y53 AromaticContact ND1-CE2 3.66Å; H44-L79 VanDerWaalsContact CD2-CD1 3.43Å; H44-L79 WeakPolarHBondContact CD2-CD1 3.21Å; H44-L79 WeakPolarHBondContact CE1-CG 3.36Å; H44-L79 WeakPolarHBondContact NE2-CD1 3.48Å
45D95.3Very high93.1Very high76 Ų7649.4 Ų49.441%0.40623%0.228SC..Hα-helixtrans-61.9-37.5175-67.3-29.9000112.6A41 E42 K48 R49A41-D45 PolarHBondContact O-N 3.27Å; E42-D45 PolarHBondContact O-N 2.93Å; D45-K48 PolarHBondContact O-N 3.32Å; D45-R49 WeakPolarHBondContact O-CB 3.38Å; D45-R49 WeakPolarHBondContact O-CG 3.45Å; D45-R49 PolarHBondContact O-N 3.31Å
46M93.9Very high92.8Very high15 Ų1549.5 Ų49.57%0.07423%0.228CC..Hα-helixtrans-65.7-42.9174.4-72174.781.300111.6E42 V43 H44 K48 R49 R50 V98 A99 V168 F173E42-M46 WeakPolarHBondContact O-CG 3.48Å; E42-M46 PolarHBondContact O-N 3.27Å; V43-M46 PolarHBondContact O-N 3.34Å; H44-M46 VanDerWaalsContact C-N 3.31Å; H44-M46 PolarHBondContact O-N 3.29Å; M46-K48 VanDerWaalsContact C-N 3.3Å; M46-K48 PolarHBondContact O-N 2.98Å; M46-R49 VanDerWaalsContact CG-NH2 3.27Å; M46-R49 PolarHBondContact O-N 3.03Å; M46-R50 WeakPolarHBondContact O-CG 3.23Å; M46-R50 PolarHBondContact O-N 2.9Å; M46-V98 HydrophobicContact CE-CB 4.05Å; M46-V98 HydrophobicContact CE-CG2 3.31Å; M46-A99 HydrophobicContact CE-CB 3.86Å; M46-A99 HydrophobicContact SD-CB 3.64Å; M46-V168 HydrophobicContact CB-CG1 4.29Å; M46-V168 HydrophobicContact CE-CB 4.13Å; M46-V168 HydrophobicContact CE-CG1 3.87Å; M46-V168 HydrophobicContact SD-CB 4.26Å; M46-V168 HydrophobicContact SD-CG1 4.25Å; M46-V168 HydrophobicContact SD-CG2 4.02Å; M46-F173 HydrophobicContact CE-CE2 4.32Å; M46-F173 HydrophobicContact CE-CZ 3.83Å
47L92.7Very high92.6Very high1 Ų151.1 Ų51.11%0.00524%0.237CC..Hα-helixtrans-65-35.7174.8-61.1174.4000111.8V43 H44 R50 G51 I52 Y53 F56 L79 A154 L155 I172V43-L47 HydrophobicContact CG1-CD1 4.41Å; V43-L47 WeakPolarHBondContact O-CG 3.18Å; V43-L47 PolarHBondContact O-N 3.14Å; V43-L47 VanDerWaalsContact O-N 3.14Å; H44-L47 PolarHBondContact O-N 3.37Å; L47-R50 CarbonylContact O-C 3.51Å; L47-R50 PolarHBondContact O-N 2.62Å; L47-G51 PolarHBondContact O-N 2.89Å; L47-I52 HydrophobicContact CB-CG1 4.18Å; L47-I52 HydrophobicContact CD2-CD1 3.73Å; L47-I52 HydrophobicContact CD2-CG1 4.15Å; L47-I52 WeakPolarHBondContact O-CG1 3.21Å; L47-I52 PolarHBondContact O-N 2.96Å; L47-I52 VanDerWaalsContact O-N 3.15Å; L47-Y53 PolarHBondContact O-N 3.19Å; L47-F56 HydrophobicContact CD1-CD2 4.1Å; L47-F56 HydrophobicContact CD1-CE2 4.28Å; L47-F56 HydrophobicContact CD2-CE2 4.21Å; L47-L79 HydrophobicContact CD1-CD1 3.85Å; L47-A154 HydrophobicContact CD2-CB 4.44Å; L47-L155 HydrophobicContact CD1-CD1 4.25Å; L47-L155 HydrophobicContact CD1-CD2 4.5Å; L47-L155 HydrophobicContact CD2-CD2 4.31Å; L47-I172 HydrophobicContact CD2-CD1 3.68Å
48K93.1Very high92.2Very high129 Ų12952.8 Ų52.856%0.56125%0.246SC*.Hα-helixtrans-68.3-45.5177-172178-179-178.60111.7H44 D45 M46 R50 G51 Y53H44-K48 WeakPolarHBondContact O-CB 3.33Å; H44-K48 PolarHBondContact O-N 3.25Å; D45-K48 PolarHBondContact O-N 3.32Å; M46-K48 VanDerWaalsContact C-N 3.3Å; M46-K48 PolarHBondContact O-N 2.98Å; K48-R50 PolarHBondContact O-N 3.27Å; K48-R50 VanDerWaalsContact O-N 3.15Å; K48-G51 PolarHBondContact O-N 3.49Å; K48-Y53 HydrophobicContact CB-CD2 4.37Å; K48-Y53 HydrophobicContact CB-CG 4.14Å
49R90.7Very high91.6Very high188 Ų18853 Ų5371%0.70925%0.246SC*.Hα-helixtrans-59.4-23.5172.7-76.9-174.4-72.5171.1-7113.1D45 M46D45-R49 WeakPolarHBondContact O-CB 3.38Å; D45-R49 WeakPolarHBondContact O-CG 3.45Å; D45-R49 PolarHBondContact O-N 3.31Å; M46-R49 VanDerWaalsContact CG-NH2 3.27Å; M46-R49 PolarHBondContact O-N 3.03Å
50R86.9Confident90.8Very high91 Ų9155.1 Ų55.134%0.34326%0.259SS..THydrogen-bonded Turntrans-90.60.3173.7-70.6-51.2-162.2-169.71.7115M46 L47 K48 I52 I172 F173 P174M46-R50 WeakPolarHBondContact O-CG 3.23Å; M46-R50 PolarHBondContact O-N 2.9Å; L47-R50 CarbonylContact O-C 3.51Å; L47-R50 PolarHBondContact O-N 2.62Å; K48-R50 PolarHBondContact O-N 3.27Å; K48-R50 VanDerWaalsContact O-N 3.15Å; R50-I52 HydrophobicContact CB-CD1 4.43Å; R50-I52 HydrophobicContact CB-CG1 4.13Å; R50-I52 PolarHBondContact O-N 3.26Å; R50-I172 WeakPolarHBondContact CD-O 3.21Å; R50-I172 HydrophobicContact CG-CB 4.41Å; R50-I172 HydrophobicContact CG-CD1 4.07Å; R50-I172 HydrophobicContact CG-CG1 4.06Å; R50-I172 WeakPolarHBondContact CG-O 3.16Å; R50-I172 PolarHBondContact NE-O 3.18Å; R50-F173 HydrophobicContact CG-CE1 4.31Å; R50-F173 HydrophobicContact CG-CZ 4.17Å; R50-P174 VanDerWaalsContact CZ-CD 3.43Å
51G88Confident89.4Confident56 Ų5654.2 Ų54.258%0.57726%0.264SS*.THydrogen-bonded Turntrans67.517.9178.100000114.1L47 K48L47-G51 PolarHBondContact O-N 2.89Å; K48-G51 PolarHBondContact O-N 3.49Å
52I88Confident87.8Confident3 Ų357.7 Ų57.72%0.01529%0.288CS..  trans-108.1-11177.857177.3000113.9L47 R50 E54 K55 F56 F134 I172L47-I52 HydrophobicContact CB-CG1 4.18Å; L47-I52 HydrophobicContact CD2-CD1 3.73Å; L47-I52 HydrophobicContact CD2-CG1 4.15Å; L47-I52 WeakPolarHBondContact O-CG1 3.21Å; L47-I52 PolarHBondContact O-N 2.96Å; L47-I52 VanDerWaalsContact O-N 3.15Å; R50-I52 HydrophobicContact CB-CD1 4.43Å; R50-I52 HydrophobicContact CB-CG1 4.13Å; R50-I52 PolarHBondContact O-N 3.26Å; I52-E54 VanDerWaalsContact C-N 3.33Å; I52-E54 PolarHBondContact O-N 2.97Å; I52-K55 HydrophobicContact CG2-CD 4.43Å; I52-K55 WeakPolarHBondContact O-CB 3.46Å; I52-K55 PolarHBondContact O-N 3.42Å; I52-F56 HydrophobicContact CB-CE2 4.25Å; I52-F56 HydrophobicContact CB-CZ 4.23Å; I52-F56 HydrophobicContact CD1-CE2 3.86Å; I52-F56 HydrophobicContact CD1-CZ 4.05Å; I52-F56 HydrophobicContact CG1-CE2 4.02Å; I52-F56 HydrophobicContact CG1-CZ 4.37Å; I52-F134 HydrophobicContact CG2-CE1 4.28Å; I52-F134 HydrophobicContact CG2-CZ 3.62Å; I52-I172 HydrophobicContact CD1-CB 4.17Å; I52-I172 HydrophobicContact CD1-CD1 4.2Å; I52-I172 HydrophobicContact CD1-CG2 3.83Å
53Y90.7Very high85.8Confident20 Ų2064.3 Ų64.38%0.07832%0.319CS..Hα-helixtrans-50.1-50.3178.6177.4-89.7000113H44 L47 K48 K55 F56 L57 K77 L79H44-Y53 HydrophobicContact CB-CD2 4.08Å; H44-Y53 HydrophobicContact CB-CE2 3.76Å; H44-Y53 AromaticContact CG-CE2 3.87Å; H44-Y53 AromaticContact ND1-CE2 3.66Å; L47-Y53 PolarHBondContact O-N 3.19Å; K48-Y53 HydrophobicContact CB-CD2 4.37Å; K48-Y53 HydrophobicContact CB-CG 4.14Å; Y53-K55 PolarHBondContact O-N 2.83Å; Y53-F56 PolarHBondContact O-N 3.47Å; Y53-L57 HydrophobicContact CE1-CD1 4.22Å; Y53-L57 HydrophobicContact CE1-CD2 4.36Å; Y53-L57 PolarHBondContact O-N 2.82Å; Y53-K77 VanDerWaalsContact OH-CD 3.32Å; Y53-K77 WeakPolarHBondContact OH-CD 3.25Å; Y53-L79 HydrophobicContact CD2-CD1 3.7Å; Y53-L79 HydrophobicContact CD2-CD2 3.92Å; Y53-L79 HydrophobicContact CD2-CG 4.3Å; Y53-L79 HydrophobicContact CE1-CD2 4.31Å; Y53-L79 HydrophobicContact CE2-CD1 3.76Å; Y53-L79 HydrophobicContact CE2-CD2 3.61Å; Y53-L79 HydrophobicContact CE2-CG 3.94Å; Y53-L79 HydrophobicContact CG-CD2 4.38Å
54E88.6Confident83.6Confident130 Ų13071.2 Ų71.261%0.60736%0.356SS*.Hα-helixtrans-62-28.4-178.4-59.8-57.2154.100112.5I52 F56 L57I52-E54 VanDerWaalsContact C-N 3.33Å; I52-E54 PolarHBondContact O-N 2.97Å; E54-F56 PolarHBondContact O-N 3.26Å; E54-L57 PolarHBondContact O-N 3Å
55K86.3Confident81.6Confident121 Ų12174.7 Ų74.753%0.52638%0.375SS..Hα-helixtrans-69.5-20.6176.7-59-177.1178.4-178.40112.5I52 Y53 L132I52-K55 HydrophobicContact CG2-CD 4.43Å; I52-K55 WeakPolarHBondContact O-CB 3.46Å; I52-K55 PolarHBondContact O-N 3.42Å; Y53-K55 PolarHBondContact O-N 2.83Å; K55-L132 HydrophobicContact CD-CD2 3.9Å
56F88Confident79.5Confident3 Ų380.6 Ų80.61%0.01340%0.397CS..Hα-helixtrans-102.3-8.9179.4-54.8-27.6000112.2L47 I52 Y53 E54 I58 L79 G80 H130 L132L47-F56 HydrophobicContact CD1-CD2 4.1Å; L47-F56 HydrophobicContact CD1-CE2 4.28Å; L47-F56 HydrophobicContact CD2-CE2 4.21Å; I52-F56 HydrophobicContact CB-CE2 4.25Å; I52-F56 HydrophobicContact CB-CZ 4.23Å; I52-F56 HydrophobicContact CD1-CE2 3.86Å; I52-F56 HydrophobicContact CD1-CZ 4.05Å; I52-F56 HydrophobicContact CG1-CE2 4.02Å; I52-F56 HydrophobicContact CG1-CZ 4.37Å; Y53-F56 PolarHBondContact O-N 3.47Å; E54-F56 PolarHBondContact O-N 3.26Å; F56-I58 PolarHBondContact O-N 3.43Å; F56-I58 VanDerWaalsContact O-N 3.15Å; F56-L79 HydrophobicContact CB-CB 3.99Å; F56-L79 HydrophobicContact CB-CD1 4.21Å; F56-L79 HydrophobicContact CB-CD2 3.96Å; F56-L79 HydrophobicContact CB-CG 4.26Å; F56-L79 HydrophobicContact CD2-CD1 4.49Å; F56-L79 CarbonylContact O-C 3.43Å; F56-L79 WeakPolarHBondContact O-CA 3.5Å; F56-G80 PolarHBondContact O-N 3.39Å; F56-H130 HydrophobicContact CD1-CB 3.89Å; F56-H130 HydrophobicContact CE1-CB 3.25Å; F56-H130 AromaticContact CE1-CG 3.76Å; F56-H130 HydrophobicContact CZ-CB 4.11Å; F56-L132 HydrophobicContact CE1-CD1 4.25Å; F56-L132 HydrophobicContact CE1-CD2 3.89Å; F56-L132 HydrophobicContact CE1-CG 4.36Å; F56-L132 HydrophobicContact CZ-CD1 3.79Å; F56-L132 HydrophobicContact CZ-CD2 4.13Å; F56-L132 HydrophobicContact CZ-CG 4.38Å
57L89.5Confident77.4Confident49 Ų4985.1 Ų85.126%0.25743%0.429SS..EExtended strand (participates in β ladder)trans-70.6114.5-173.9-172.664.3000110.6Y53 E54 R59 T60 K77 L79Y53-L57 HydrophobicContact CE1-CD1 4.22Å; Y53-L57 HydrophobicContact CE1-CD2 4.36Å; Y53-L57 PolarHBondContact O-N 2.82Å; E54-L57 PolarHBondContact O-N 3Å; L57-R59 WeakPolarHBondContact CD1-O 3.49Å; L57-T60 HydrophobicContact CD1-CG2 4Å; L57-T60 HydrophobicContact CD2-CG2 3.67Å; L57-T60 HydrophobicContact CG-CG2 3.97Å; L57-K77 HydrophobicContact CD1-CB 4.19Å; L57-L79 HydrophobicContact CB-CD2 4.05Å; L57-L79 HydrophobicContact CD1-CD2 3.96Å
58I87Confident75.7Confident35 Ų3587.4 Ų87.418%0.17944%0.441CS..EExtended strand (participates in β ladder)trans-111.8-19.9-178.760168.2000113.2L14 F56 N65 I68 T78L14-I58 HydrophobicContact CB-CD1 3.68Å; L14-I58 HydrophobicContact CD2-CD1 3.4Å; L14-I58 VanDerWaalsContact CD2-CD1 3.4Å; L14-I58 HydrophobicContact CG-CD1 4.17Å; F56-I58 PolarHBondContact O-N 3.43Å; F56-I58 VanDerWaalsContact O-N 3.15Å; I58-N65 PolarHBondContact O-ND2 3.47Å; I58-I68 HydrophobicContact CB-CD1 3.9Å; I58-I68 HydrophobicContact CD1-CD1 4.04Å; I58-I68 HydrophobicContact CG1-CD1 4.23Å; I58-T78 HydrophobicContact CD1-CG2 4.16Å; I58-T78 HydrophobicContact CG1-CG2 4.34Å; I58-T78 WeakPolarHBondContact CG1-O 3.45Å; I58-T78 PolarHBondContact N-O 3.2Å
59R82.1Confident73.6Confident14 Ų1487 Ų875%0.05345%0.454CS..EExtended strand (participates in β ladder)trans-143.5137.4-177.7-170.6-174.2-69.3153.7-10.7110.3E36 L57 R70 K77 T78E36-R59 IonicContact OE1-NH1 3.71Å; E36-R59 IonicContact OE2-NH1 3.31Å; E36-R59 PolarHBondContact OE2-NH1 2.95Å; L57-R59 WeakPolarHBondContact CD1-O 3.49Å; R59-R70 PolarHBondContact NH2-O 2.82Å; R59-K77 VanDerWaalsContact O-CA 3.31Å; R59-K77 WeakPolarHBondContact O-CA 3.43Å; R59-T78 PolarHBondContact N-O 2.8Å; R59-T78 PolarHBondContact NH1-OG1 3.42Å; R59-T78 PolarHBondContact O-N 2.95Å; R59-T78 VanDerWaalsContact O-N 3.08Å
60T81.6Confident71.9Confident46 Ų4680.7 Ų80.728%0.28243%0.431SS..EExtended strand (participates in β ladder)trans-137.3157.2169.357.50000108L57 S62 S76 K77L57-T60 HydrophobicContact CD1-CG2 4Å; L57-T60 HydrophobicContact CD2-CG2 3.67Å; L57-T60 HydrophobicContact CG-CG2 3.97Å; T60-S62 PolarHBondContact O-N 2.91Å; T60-S76 CarbonylContact C-O 3.5Å; T60-S76 VanDerWaalsContact CA-O 3.29Å; T60-S76 WeakPolarHBondContact CA-O 3.4Å; T60-K77 HydrophobicContact CG2-CG 4.41Å
61D69Low70.3Confident110 Ų11080 Ų8059%0.58844%0.438SS*.SBendtrans-61.7-5.1175.3-78.8-23.7000114.6E63 S76D61-E63 PolarHBondContact O-N 3.03Å; D61-S76 PolarHBondContact N-O 3.24Å; D61-S76 WeakPolarHBondContact OD1-CA 3.42Å; D61-S76 WeakPolarHBondContact OD2-CA 3.34Å; D61-S76 WeakPolarHBondContact OD2-CB 3.41Å
62S62.6Low69Low80 Ų8084.3 Ų84.356%0.55944%0.443SS*.SBendtrans-69.7126173.8-171.90000109.9T60 N64T60-S62 PolarHBondContact O-N 2.91Å; S62-N64 PolarHBondContact O-N 2.86Å
63E54.1Low68.1Low177 Ų17784.8 Ų84.883%0.82745%0.446SS*.THydrogen-bonded Turntrans-53.80.9-166.9-61.2-178.6148.600117.5D61D61-E63 PolarHBondContact O-N 3.03Å
64N52.4Low67.6Low145 Ų14585.6 Ų85.678%0.77546%0.461SS*.THydrogen-bonded Turntrans-93.5-3.1-169.5-79.5-16.6000116.3S62 K66S62-N64 PolarHBondContact O-N 2.86Å; N64-K66 PolarHBondContact O-N 3.21Å
65N52.5Low67.5Low80 Ų8079.5 Ų79.543%0.42843%0.432SS..  trans-104.166.3-176.5-92.5-26.4000114.2I58 S67I58-N65 PolarHBondContact O-ND2 3.47Å; N65-S67 PolarHBondContact O-N 3.44Å
66K50.8Low67.5Low200 Ų20075 Ų7587%0.8742%0.416SS*.THydrogen-bonded Turntrans-762.5174.7-66.5-175.4-179.8177.70115.1N64N64-K66 PolarHBondContact O-N 3.21Å
67S51Low67.5Low109 Ų10979.4 Ų79.476%0.76244%0.435SS*.THydrogen-bonded Turntrans-93.4-12.6-164.5-168.30000115.8N65N65-S67 PolarHBondContact O-N 3.44Å
68I55.8Low67.6Low49 Ų4977 Ų7725%0.25142%0.423SS..  trans-101.8102.2-174.6-58.1176.9000109.9L14 I58 R70L14-I68 HydrophobicContact CD2-CG2 4.3Å; I58-I68 HydrophobicContact CB-CD1 3.9Å; I58-I68 HydrophobicContact CD1-CD1 4.04Å; I58-I68 HydrophobicContact CG1-CD1 4.23Å; I68-R70 PolarHBondContact O-N 3.49Å
69S50.3Low67.9Low120 Ų12075.5 Ų75.584%0.83942%0.415SS*.  trans-71.528.3-170.662.90000116.7
70R55.4Low68.3Low56 Ų5674.9 Ų74.921%0.21141%0.413CS..SBendtrans-137.6143.8-175.3-71.3-173.9-173.3-152.2-1.2111.2Y33 G34 R59 I68Y33-R70 VanDerWaalsContact CD1-CZ 3.41Å; G34-R70 WeakPolarHBondContact O-CD 3.45Å; G34-R70 PolarHBondContact O-NH1 3.28Å; R59-R70 PolarHBondContact NH2-O 2.82Å; I68-R70 PolarHBondContact O-N 3.49Å
71P52.7Low68.9Low76 Ų7672.8 Ų72.849%0.49440%0.4SS..  trans-52137.5-143.618.3-30.7000111.1S73P71-S73 VanDerWaalsContact C-N 3.26Å; P71-S73 PolarHBondContact O-N 3.08Å
72H61.6Low69.9Low147 Ų14771.1 Ų71.168%0.68139%0.387SS*.  trans-58.499.1165.9-78.1-89.7000106.7G74H72-G74 PolarHBondContact O-N 3.06Å
73S68.2Low71.3Confident13 Ų1368.3 Ų68.39%0.09137%0.365CS..  trans-60.1-8.1174.560.70000111.9M1 E36 P71 F75M1-S73 WeakPolarHBondContact CB-O 3.36Å; M1-S73 WeakPolarHBondContact CG-O 3.33Å; E36-S73 VanDerWaalsContact CD-OG 3.25Å; E36-S73 WeakPolarHBondContact OE1-CB 3.39Å; E36-S73 PolarHBondContact OE1-OG 3.45Å; E36-S73 WeakPolarHBondContact OE2-CB 3.44Å; E36-S73 PolarHBondContact OE2-OG 3.41Å; P71-S73 VanDerWaalsContact C-N 3.26Å; P71-S73 PolarHBondContact O-N 3.08Å; S73-F75 PolarHBondContact O-N 3.06Å; S73-F75 PolarHBondContact OG-N 2.93Å
74G79.6Confident73Confident37 Ų3762 Ų6238%0.38134%0.338SS..  trans66.519.8-177.300000112.7H2 H72H2-G74 WeakPolarHBondContact CA-O 3.43Å; H2-G74 PolarHBondContact N-O 2.73Å; H72-G74 PolarHBondContact O-N 3.06Å
75F86.9Confident74.5Confident3 Ų359.8 Ų59.81%0.01333%0.33CS..  trans-86.2144.4164.6-87-107.4000109.9M1 E5 L10 L38 S73 K77M1-F75 HydrophobicContact CB-CD2 4.1Å; M1-F75 HydrophobicContact CB-CE2 4.07Å; M1-F75 HydrophobicContact CE-CE2 4.22Å; M1-F75 HydrophobicContact SD-CE2 4.29Å; E5-F75 HydrophobicContact CB-CD1 3.73Å; E5-F75 HydrophobicContact CB-CE1 3.53Å; E5-F75 HydrophobicContact CB-CG 4.36Å; E5-F75 HydrophobicContact CB-CZ 4.01Å; E5-F75 HydrophobicContact CG-CD1 3.55Å; E5-F75 HydrophobicContact CG-CE1 3.68Å; E5-F75 HydrophobicContact CG-CG 4.42Å; E5-F75 WeakPolarHBondContact OE2-CA 3.4Å; L10-F75 HydrophobicContact CB-CE1 3.67Å; L10-F75 HydrophobicContact CB-CZ 3.9Å; L10-F75 HydrophobicContact CD1-CZ 4.4Å; L38-F75 HydrophobicContact CD1-CE2 3.71Å; L38-F75 HydrophobicContact CD1-CZ 3.94Å; L38-F75 HydrophobicContact CD2-CD2 3.9Å; L38-F75 HydrophobicContact CD2-CE1 4.25Å; L38-F75 HydrophobicContact CD2-CE2 3.5Å; L38-F75 VanDerWaalsContact CD2-CE2 3.5Å; L38-F75 HydrophobicContact CD2-CG 4.45Å; L38-F75 HydrophobicContact CD2-CZ 3.7Å; L38-F75 HydrophobicContact CG-CE2 4.21Å; L38-F75 HydrophobicContact CG-CZ 4.28Å; S73-F75 PolarHBondContact O-N 3.06Å; S73-F75 PolarHBondContact OG-N 2.93Å; F75-K77 PolarHBondContact O-N 3.48Å
76S85.9Confident75.7Confident25 Ų2558.7 Ų58.718%0.17533%0.327CS..SBendtrans-65.4-29.5-176.270.20000113.8E5 T60 D61E5-S76 VanDerWaalsContact CD-N 3.34Å; E5-S76 WeakPolarHBondContact OE1-CB 3.44Å; E5-S76 PolarHBondContact OE1-N 3.2Å; E5-S76 PolarHBondContact OE1-OG 3.12Å; E5-S76 PolarHBondContact OE2-N 3.27Å; T60-S76 CarbonylContact C-O 3.5Å; T60-S76 VanDerWaalsContact CA-O 3.29Å; T60-S76 WeakPolarHBondContact CA-O 3.4Å; D61-S76 PolarHBondContact N-O 3.24Å; D61-S76 WeakPolarHBondContact OD1-CA 3.42Å; D61-S76 WeakPolarHBondContact OD2-CA 3.34Å; D61-S76 WeakPolarHBondContact OD2-CB 3.41Å
77K89.5Confident77.1Confident96 Ų9655.7 Ų55.742%0.41731%0.314SS..EExtended strand (participates in β ladder)trans-143142.6-179.2-59.4-179.2-171.8174.80111.1Y53 L57 R59 T60 F75Y53-K77 VanDerWaalsContact OH-CD 3.32Å; Y53-K77 WeakPolarHBondContact OH-CD 3.25Å; L57-K77 HydrophobicContact CD1-CB 4.19Å; R59-K77 VanDerWaalsContact O-CA 3.31Å; R59-K77 WeakPolarHBondContact O-CA 3.43Å; T60-K77 HydrophobicContact CG2-CG 4.41Å; F75-K77 PolarHBondContact O-N 3.48Å
78T91.6Very high78.1Confident0 Ų057.6 Ų57.60%032%0.321CS..EExtended strand (participates in β ladder)trans-130.6131172.8-49.50000109.5S12 L14 E36 I58 R59S12-T78 WeakPolarHBondContact O-CA 3.34Å; L14-T78 HydrophobicContact CB-CG2 3.85Å; E36-T78 HydrophobicContact CG-CG2 4.46Å; E36-T78 PolarHBondContact OE1-OG1 2.75Å; I58-T78 HydrophobicContact CD1-CG2 4.16Å; I58-T78 HydrophobicContact CG1-CG2 4.34Å; I58-T78 WeakPolarHBondContact CG1-O 3.45Å; I58-T78 PolarHBondContact N-O 3.2Å; R59-T78 PolarHBondContact N-O 2.8Å; R59-T78 PolarHBondContact NH1-OG1 3.42Å; R59-T78 PolarHBondContact O-N 2.95Å; R59-T78 VanDerWaalsContact O-N 3.08Å
79L92.6Very high79Confident2 Ų257.9 Ų57.91%0.0133%0.328CS..EExtended strand (participates in β ladder)trans-91.1136.9169.2-65.2-171.1000110.6S12 T13 L14 H44 L47 Y53 F56 L57S12-L79 PolarHBondContact O-N 3.46Å; T13-L79 CarbonylContact C-O 3.56Å; T13-L79 VanDerWaalsContact CA-O 3.28Å; T13-L79 WeakPolarHBondContact CA-O 3.33Å; L14-L79 PolarHBondContact N-O 3.09Å; H44-L79 VanDerWaalsContact CD2-CD1 3.43Å; H44-L79 WeakPolarHBondContact CD2-CD1 3.21Å; H44-L79 WeakPolarHBondContact CE1-CG 3.36Å; H44-L79 WeakPolarHBondContact NE2-CD1 3.48Å; L47-L79 HydrophobicContact CD1-CD1 3.85Å; Y53-L79 HydrophobicContact CD2-CD1 3.7Å; Y53-L79 HydrophobicContact CD2-CD2 3.92Å; Y53-L79 HydrophobicContact CD2-CG 4.3Å; Y53-L79 HydrophobicContact CE1-CD2 4.31Å; Y53-L79 HydrophobicContact CE2-CD1 3.76Å; Y53-L79 HydrophobicContact CE2-CD2 3.61Å; Y53-L79 HydrophobicContact CE2-CG 3.94Å; Y53-L79 HydrophobicContact CG-CD2 4.38Å; F56-L79 HydrophobicContact CB-CB 3.99Å; F56-L79 HydrophobicContact CB-CD1 4.21Å; F56-L79 HydrophobicContact CB-CD2 3.96Å; F56-L79 HydrophobicContact CB-CG 4.26Å; F56-L79 HydrophobicContact CD2-CD1 4.49Å; F56-L79 CarbonylContact O-C 3.43Å; F56-L79 WeakPolarHBondContact O-CA 3.5Å; L57-L79 HydrophobicContact CB-CD2 4.05Å; L57-L79 HydrophobicContact CD1-CD2 3.96Å
80G91.3Very high79.9Confident2 Ų253.6 Ų53.62%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-97.8129.317100000110.9L14 F56L14-G80 WeakPolarHBondContact O-CA 3.34Å; F56-G80 PolarHBondContact O-N 3.39Å
81I92.6Very high80.5Confident1 Ų155.3 Ų55.31%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-139.4144.7174.4-164.5164.1000109.9T13 L14 V15 Q16 L128 A129 A154 L155T13-I81 HydrophobicContact CG2-CG2 3.57Å; L14-I81 PolarHBondContact O-N 3.47Å; V15-I81 CarbonylContact C-O 3.38Å; V15-I81 WeakPolarHBondContact CA-O 3.38Å; Q16-I81 PolarHBondContact N-O 3.09Å; I81-L128 HydrophobicContact CD1-CB 3.7Å; I81-L128 WeakPolarHBondContact CD1-O 3.29Å; I81-L128 HydrophobicContact CG1-CB 3.95Å; I81-L128 HydrophobicContact CG2-CB 4.09Å; I81-L128 HydrophobicContact CG2-CD1 4.06Å; I81-L128 HydrophobicContact CG2-CD2 4.39Å; I81-L128 HydrophobicContact CG2-CG 4.42Å; I81-A129 WeakPolarHBondContact CG1-O 3.32Å; I81-A154 HydrophobicContact CD1-CB 4.37Å; I81-L155 HydrophobicContact CD1-CB 4.46Å; I81-L155 HydrophobicContact CD1-CD1 3.87Å; I81-L155 HydrophobicContact CD1-CG 4.14Å
82K91.4Very high81.4Confident75 Ų7559.1 Ų59.133%0.32634%0.338SS..EExtended strand (participates in β ladder)trans-93.7142.5-172.2-63.7-179.8167.1-134.10111.4Q16 D17 L128 A129Q16-K82 HydrophobicContact CB-CG 4.41Å; D17-K82 VanDerWaalsContact OD2-CD 3.22Å; D17-K82 WeakPolarHBondContact OD2-CD 3.43Å; D17-K82 VanDerWaalsContact OD2-CE 3.23Å; D17-K82 WeakPolarHBondContact OD2-CE 3.45Å; D17-K82 IonicContact OD2-NZ 3.52Å; D17-K82 PolarHBondContact OD2-NZ 2.95Å; K82-L128 WeakPolarHBondContact O-CA 3.26Å; K82-A129 WeakPolarHBondContact CA-O 2.86Å; K82-A129 WeakPolarHBondContact CB-O 3.21Å; K82-A129 PolarHBondContact N-O 3.49Å; K82-A129 PolarHBondContact O-N 3.22Å; K82-A129 VanDerWaalsContact O-N 3.11Å; K82-A129 VanDerWaalsContact O-O 3.07Å
83W91.5Very high82Confident22 Ų2256.6 Ų56.68%0.08333%0.325CS..EExtended strand (participates in β ladder)trans-62.3131.4166.7176.2-72.7000110.4V15 Q16 I18 L116 F119 V126V15-W83 HydrophobicContact CG1-CB 4.47Å; Q16-W83 VanDerWaalsContact O-CB 3.27Å; Q16-W83 WeakPolarHBondContact O-CB 3.35Å; Q16-W83 PolarHBondContact O-N 2.93Å; I18-W83 HydrophobicContact CB-CE3 4.49Å; I18-W83 HydrophobicContact CG1-CB 4.49Å; I18-W83 HydrophobicContact CG1-CE3 4.05Å; I18-W83 HydrophobicContact CG2-CE3 4.16Å; I18-W83 HydrophobicContact CG2-CZ3 4.29Å; W83-L116 HydrophobicContact CE3-CD1 4.2Å; W83-L116 HydrophobicContact CZ3-CD1 3.53Å; W83-F119 AromaticContact CH2-CD1 3.55Å; W83-F119 HydrophobicContact CH2-CD1 3.55Å; W83-F119 HydrophobicContact CH2-CD2 4.29Å; W83-F119 AromaticContact CH2-CE1 3.45Å; W83-F119 HydrophobicContact CH2-CE1 3.45Å; W83-F119 VanDerWaalsContact CH2-CE1 3.45Å; W83-F119 HydrophobicContact CH2-CE2 4.19Å; W83-F119 AromaticContact CH2-CG 3.99Å; W83-F119 HydrophobicContact CH2-CG 3.99Å; W83-F119 AromaticContact CH2-CZ 3.79Å; W83-F119 HydrophobicContact CH2-CZ 3.79Å; W83-F119 HydrophobicContact CZ2-CD1 4.36Å; W83-F119 AromaticContact CZ2-CE1 3.82Å; W83-F119 HydrophobicContact CZ2-CE1 3.82Å; W83-F119 HydrophobicContact CZ2-CE2 4.27Å; W83-F119 AromaticContact CZ2-CZ 3.77Å; W83-F119 HydrophobicContact CZ2-CZ 3.77Å; W83-F119 HydrophobicContact CZ3-CD1 4.42Å; W83-V126 HydrophobicContact CD2-CG1 3.47Å; W83-V126 VanDerWaalsContact CD2-CG1 3.47Å; W83-V126 HydrophobicContact CE3-CB 4.21Å; W83-V126 HydrophobicContact CE3-CG1 3.22Å; W83-V126 HydrophobicContact CE3-CG2 3.95Å; W83-V126 HydrophobicContact CG-CG1 4.15Å; W83-V126 HydrophobicContact CH2-CB 4.26Å; W83-V126 HydrophobicContact CH2-CG1 4.03Å; W83-V126 HydrophobicContact CH2-CG2 3.27Å; W83-V126 HydrophobicContact CZ2-CG1 4.21Å; W83-V126 HydrophobicContact CZ2-CG2 3.93Å; W83-V126 HydrophobicContact CZ3-CB 4.03Å; W83-V126 HydrophobicContact CZ3-CG1 3.54Å; W83-V126 HydrophobicContact CZ3-CG2 3.27Å
84V88.6Confident82.6Confident43 Ų4364.4 Ų64.426%0.26137%0.365SS..EExtended strand (participates in β ladder)trans-99122167.6-178.50000108.9P86 A127 A129V84-P86 WeakPolarHBondContact O-CD 3.27Å; V84-P86 VanDerWaalsContact O-N 3.15Å; V84-A127 HydrophobicContact CB-CB 4Å; V84-A127 WeakPolarHBondContact CB-O 3.42Å; V84-A127 HydrophobicContact CG2-CB 4.38Å; V84-A127 PolarHBondContact N-O 3.09Å; V84-A129 HydrophobicContact CG2-CB 3.4Å; V84-A129 VanDerWaalsContact CG2-CB 3.4Å
85T84.4Confident82.8Confident99 Ų9965.3 Ų65.361%0.60736%0.357SS*.PPolyproline II helixtrans-60117.1177-580000110K87T85-K87 PolarHBondContact O-N 3.28Å
86P77.8Confident82.8Confident58 Ų5871.3 Ų71.338%0.37738%0.383SS..PPolyproline II helixtrans-66.3134.2-176.924.6-31.5000110.4V84 F119V84-P86 WeakPolarHBondContact O-CD 3.27Å; V84-P86 VanDerWaalsContact O-N 3.15Å; P86-F119 HydrophobicContact CG-CZ 4.13Å
87K79.7Confident83.1Confident137 Ų13771.6 Ų71.660%0.59639%0.387SS*.PPolyproline II helixtrans-87.7154.9172.3-59.7175.6-177.8173.70109.8T85 S89 D90T85-K87 PolarHBondContact O-N 3.28Å; K87-S89 PolarHBondContact O-N 3.1Å; K87-D90 PolarHBondContact N-OD2 3.22Å; K87-D90 WeakPolarHBondContact O-CB 3.29Å; K87-D90 PolarHBondContact O-N 2.98Å
88T73.9Confident83.2Confident148 Ų14869.9 Ų69.991%0.90838%0.384SS*.G310 helixtrans-58.3-31.2177.646.80000112.8D90T88-D90 VanDerWaalsContact C-N 3.27Å; T88-D90 PolarHBondContact O-N 3.23Å
89S73Confident83.4Confident56 Ų5670.8 Ų70.839%0.39239%0.392SS..G310 helixtrans-66.8-23.7175.851.30000114K87 A91 F93K87-S89 PolarHBondContact O-N 3.1Å; S89-A91 PolarHBondContact O-N 3Å; S89-F93 WeakPolarHBondContact O-CD2 3.29Å; S89-F93 VanDerWaalsContact O-CE2 3.3Å; S89-F93 WeakPolarHBondContact O-CE2 3.33Å
90D70.6Confident83.6Confident30 Ų3073.8 Ų73.816%0.1641%0.41CS..G310 helixtrans-72.9-16.4-165.1-62.7-9.9000113.5K87 T88 N92 F93K87-D90 PolarHBondContact N-OD2 3.22Å; K87-D90 WeakPolarHBondContact O-CB 3.29Å; K87-D90 PolarHBondContact O-N 2.98Å; T88-D90 VanDerWaalsContact C-N 3.27Å; T88-D90 PolarHBondContact O-N 3.23Å; D90-N92 PolarHBondContact O-N 3.13Å; D90-F93 PolarHBondContact O-N 3.36Å
91A68.1Low83.9Confident92 Ų9275.9 Ų75.976%0.7642%0.418SS*.G310 helixtrans-64-26.7-176.700000113.6S89S89-A91 PolarHBondContact O-N 3Å
92N71.1Confident84.2Confident155 Ų15584.1 Ų84.183%0.82945%0.449SS*.G310 helixtrans-96.2-4-177.7-65.1-32.7000113.4D90 L94D90-N92 PolarHBondContact O-N 3.13Å; N92-L94 PolarHBondContact O-N 3.41Å
93F74.9Confident84.5Confident95 Ų9581.3 Ų81.342%0.41744%0.438SS..  trans-82.8114.8-176.2-77.8-91.2000111.5S89 D90 R95S89-F93 WeakPolarHBondContact O-CD2 3.29Å; S89-F93 VanDerWaalsContact O-CE2 3.3Å; S89-F93 WeakPolarHBondContact O-CE2 3.33Å; D90-F93 PolarHBondContact O-N 3.36Å; F93-R95 PolarHBondContact O-N 3.41Å
94L80.4Confident84.6Confident176 Ų17684 Ų8492%0.92146%0.457SS*.  trans-74.1106.8166.6-172.669.8000109N92N92-L94 PolarHBondContact O-N 3.41Å
95R84.2Confident84.9Confident56 Ų5682.7 Ų82.721%0.21145%0.448CS..  trans-82.3124.6173.6-70.5176.9172.184-3.7109.8F93 A97 E153 L156 L169F93-R95 PolarHBondContact O-N 3.41Å; R95-A97 PolarHBondContact O-N 2.66Å; R95-E153 IonicContact CZ-OE1 3.52Å; R95-E153 IonicContact CZ-OE2 2.62Å; R95-E153 IonicContact NE-OE1 2.93Å; R95-E153 IonicContact NE-OE2 3.41Å; R95-E153 PolarHBondContact NE-OE2 3.2Å; R95-E153 IonicContact NH2-OE1 3.79Å; R95-E153 PolarHBondContact NH2-OE1 2.89Å; R95-E153 IonicContact NH2-OE2 3.51Å; R95-E153 PolarHBondContact NH2-OE2 3.35Å; R95-L156 HydrophobicContact CB-CD2 4.5Å; R95-L169 HydrophobicContact CB-CD2 3.88Å
96F86.6Confident85.3Confident129 Ų12979.3 Ų79.357%0.56643%0.431SS*.  trans-71.4116174-177.3-154.3000109.1A170 T176F96-A170 HydrophobicContact CB-CB 3.88Å; F96-A170 HydrophobicContact CD1-CB 3.16Å; F96-A170 HydrophobicContact CD2-CB 4.36Å; F96-A170 HydrophobicContact CE1-CB 3.69Å; F96-A170 HydrophobicContact CG-CB 3.55Å; F96-A170 HydrophobicContact CZ-CB 4.45Å; F96-A170 VanDerWaalsContact O-CB 3.27Å; F96-A170 WeakPolarHBondContact O-CB 3.37Å; F96-A170 PolarHBondContact O-N 2.95Å; F96-T176 HydrophobicContact CD1-CG2 4.1Å; F96-T176 HydrophobicContact CE1-CG2 4Å
97A90.5Very high85.9Confident32 Ų3279.5 Ų79.526%0.26443%0.429SS..EExtended strand (participates in β ladder)trans-108.3133.917600000110.1R95 H167 V168R95-A97 PolarHBondContact O-N 2.66Å; A97-H167 HydrophobicContact CB-CB 3.98Å; A97-V168 CarbonylContact C-O 3.5Å; A97-V168 VanDerWaalsContact CA-O 3.29Å; A97-V168 WeakPolarHBondContact CA-O 3.49Å
98V92.5Very high86.4Confident59 Ų5977.3 Ų77.336%0.35843%0.426SS..EExtended strand (participates in β ladder)trans-91.6-18.3177.4-70.90000112.8M46 V168 A170 F173M46-V98 HydrophobicContact CE-CB 4.05Å; M46-V98 HydrophobicContact CE-CG2 3.31Å; V98-V168 HydrophobicContact CG2-CB 4Å; V98-V168 HydrophobicContact CG2-CG1 3.83Å; V98-V168 VanDerWaalsContact CG2-O 3.26Å; V98-V168 WeakPolarHBondContact CG2-O 2.97Å; V98-V168 PolarHBondContact N-O 2.83Å; V98-A170 HydrophobicContact CG1-CB 3.74Å; V98-F173 HydrophobicContact CG1-CD2 4.3Å; V98-F173 HydrophobicContact CG1-CE2 4.48Å; V98-F173 HydrophobicContact CG2-CD2 4.05Å; V98-F173 HydrophobicContact CG2-CE2 3.48Å; V98-F173 VanDerWaalsContact CG2-CE2 3.48Å; V98-F173 HydrophobicContact CG2-CZ 4.01Å
99A95.2Very high87.1Confident19 Ų1976 Ų7616%0.15742%0.422CS..EExtended strand (participates in β ladder)trans-155.2158.1174.300000110.8M46 Y101 H167 V168M46-A99 HydrophobicContact CE-CB 3.86Å; M46-A99 HydrophobicContact SD-CB 3.64Å; A99-Y101 HydrophobicContact CB-CD2 4.46Å; A99-Y101 HydrophobicContact CB-CE2 3.64Å; A99-H167 CarbonylContact O-C 3.42Å; A99-H167 WeakPolarHBondContact O-CA 3.5Å; A99-V168 HydrophobicContact CB-CB 4.24Å; A99-V168 HydrophobicContact CB-CG2 4.22Å; A99-V168 PolarHBondContact O-N 3.01Å
100T97.1Very high87.9Confident65 Ų6575.6 Ų75.640%0.39942%0.415SS..EExtended strand (participates in β ladder)trans-143.3137.7174.1-175.50000110.4Y165 I166 H167T100-Y165 WeakPolarHBondContact OG1-CD1 3.41Å; T100-I166 WeakPolarHBondContact CA-O 3.38Å; T100-H167 PolarHBondContact OG1-CD2 3.44Å; T100-H167 PolarHBondContact OG1-CE1 3.06Å; T100-H167 PolarHBondContact OG1-NE2 3.5Å; T100-H167 VanDerWaalsContact OG1-NE2 3.13Å
101Y98.3Very high88.7Confident47 Ų4779.6 Ų79.618%0.18443%0.428CS..EExtended strand (participates in β ladder)trans-137.8143.8-178.3-59.7-79.8000110.5R40 E42 V43 A99 Y165 I166R40-Y101 HydrophobicContact CB-CD1 4.14Å; R40-Y101 HydrophobicContact CG-CD1 4.21Å; E42-Y101 HydrophobicContact CB-CE1 4.26Å; E42-Y101 HydrophobicContact CB-CE2 4.31Å; E42-Y101 VanDerWaalsContact CB-OH 3.29Å; E42-Y101 WeakPolarHBondContact CB-OH 2.99Å; V43-Y101 HydrophobicContact CG2-CD2 3.28Å; V43-Y101 HydrophobicContact CG2-CE2 3.77Å; V43-Y101 HydrophobicContact CG2-CG 4.09Å; A99-Y101 HydrophobicContact CB-CD2 4.46Å; A99-Y101 HydrophobicContact CB-CE2 3.64Å; Y101-Y165 CarbonylContact O-C 3.56Å; Y101-Y165 WeakPolarHBondContact O-CA 3.49Å; Y101-I166 PolarHBondContact N-O 3.05Å; Y101-I166 PolarHBondContact O-N 3.46Å
102R98Very high89.8Confident173 Ų17375.3 Ų75.365%0.65339%0.393SS*.EExtended strand (participates in β ladder)trans-63.6149.2173-70.3-175.4-179.7122.2-1.6110.5V163 M164 Y165R102-V163 HydrophobicContact CG-CG1 3.95Å; R102-M164 WeakPolarHBondContact CA-O 3.46Å; R102-Y165 HydrophobicContact CB-CE1 4.5Å; R102-Y165 HydrophobicContact CG-CD1 4.04Å; R102-Y165 HydrophobicContact CG-CE1 3.46Å; R102-Y165 VanDerWaalsContact CG-CE1 3.46Å; R102-Y165 HydrophobicContact CG-CE2 4.43Å; R102-Y165 PolarHBondContact NE-OH 3.08Å
103V97.3Very high90.8Very high17 Ų1768 Ų6810%0.10335%0.354CS..  trans-122.4144.6179.7176.90000109.9I37 L38 H39 L157 M164 I166I37-V103 HydrophobicContact CB-CG1 3.62Å; I37-V103 HydrophobicContact CD1-CG1 4.06Å; I37-V103 HydrophobicContact CG1-CG1 4.32Å; I37-V103 HydrophobicContact CG2-CG1 4.07Å; L38-V103 WeakPolarHBondContact O-CA 3.42Å; H39-V103 HydrophobicContact CB-CG2 4.23Å; V103-L157 HydrophobicContact CB-CD1 4.43Å; V103-L157 HydrophobicContact CG1-CD1 4.39Å; V103-L157 HydrophobicContact CG2-CD1 4.08Å; V103-M164 HydrophobicContact CB-CB 4.38Å; V103-M164 PolarHBondContact N-O 3.28Å; V103-I166 HydrophobicContact CG2-CB 3.52Å; V103-I166 HydrophobicContact CG2-CG2 3.61Å; V103-I166 VanDerWaalsContact CG2-N 3.34Å
104T95.2Very high91.6Very high77 Ų7766.1 Ų66.147%0.47235%0.35SS..EExtended strand (participates in β ladder)trans-123.7153.8162.2-172.80000110.2I37 L38I37-T104 WeakPolarHBondContact CA-O 3.39Å; L38-T104 HydrophobicContact CB-CG2 3.8Å; L38-T104 HydrophobicContact CD1-CG2 4.19Å; L38-T104 HydrophobicContact CG-CG2 4.35Å; L38-T104 PolarHBondContact N-O 3Å; L38-T104 PolarHBondContact O-N 3.46Å
105L94.7Very high92.2Very high16 Ų1659.8 Ų59.88%0.08432%0.32CS..EExtended strand (participates in β ladder)trans-76.9141.3171.8-57.8166.2000109.1V35 I37 V108 L116 A117V35-L105 HydrophobicContact CG1-CD2 3.83Å; I37-L105 HydrophobicContact CG2-CD2 4.11Å; L105-V108 HydrophobicContact CB-CG2 4.05Å; L105-L116 HydrophobicContact CD2-CD2 4.42Å; L105-A117 HydrophobicContact CD1-CB 3.9Å
106A92.2Very high92.6Very high29 Ų2957.2 Ų57.224%0.2431%0.311CS..SBendtrans-70.3-35.6175.100000111.9M1 E36 L38M1-A106 HydrophobicContact CE-CB 4.49Å; E36-A106 HydrophobicContact CB-CB 3.95Å; E36-A106 HydrophobicContact CG-CB 4.06Å; E36-A106 WeakPolarHBondContact O-CB 3.36Å; E36-A106 PolarHBondContact O-N 2.83Å; L38-A106 HydrophobicContact CD1-CB 4.31Å; L38-A106 HydrophobicContact CD2-CB 4.16Å; L38-A106 HydrophobicContact CG-CB 4.12Å
107D90.3Very high93Very high62 Ų6251.8 Ų51.833%0.33229%0.289SS..SBendtrans-128.196.2173.9-177.2-8.3000108.8C109 N110 S113D107-C109 VanDerWaalsContact C-N 3.29Å; D107-C109 PolarHBondContact O-N 3.32Å; D107-C109 PolarHBondContact OD1-N 2.88Å; D107-N110 HydrophobicContact CB-CB 4.15Å; D107-N110 PolarHBondContact OD1-N 3.03Å; D107-N110 VanDerWaalsContact OD1-N 3.09Å; D107-N110 WeakPolarHBondContact OD2-CB 3.27Å; D107-S113 WeakPolarHBondContact O-CB 3.49Å; D107-S113 PolarHBondContact O-OG 2.96Å
108V91.1Very high93.2Very high90 Ų9056.5 Ų56.555%0.54531%0.306SS..SBendtrans-70.8-26.4-175.9-1780000111.9L105 T114L105-V108 HydrophobicContact CB-CG2 4.05Å; V108-T114 PolarHBondContact O-OG1 3.5Å
109C88.6Confident93.2Very high120 Ų12056 Ų5681%0.81130%0.299SS*.SBendtrans-88.1-16.7-175.2-63.60000112.8D107 R111D107-C109 VanDerWaalsContact C-N 3.29Å; D107-C109 PolarHBondContact O-N 3.32Å; D107-C109 PolarHBondContact OD1-N 2.88Å; C109-R111 PolarHBondContact O-N 2.8Å
110N88.9Confident93.2Very high48 Ų4855.1 Ų55.126%0.25729%0.292SS..SBendtrans-63.6128.2173.1-179.1-12.4000110.8D107 A112 S113 T114D107-N110 HydrophobicContact CB-CB 4.15Å; D107-N110 PolarHBondContact OD1-N 3.03Å; D107-N110 VanDerWaalsContact OD1-N 3.09Å; D107-N110 WeakPolarHBondContact OD2-CB 3.27Å; N110-A112 VanDerWaalsContact C-N 3.26Å; N110-A112 PolarHBondContact O-N 2.96Å; N110-A112 PolarHBondContact OD1-N 2.79Å; N110-S113 WeakPolarHBondContact O-CA 3.18Å; N110-S113 VanDerWaalsContact O-CB 3.29Å; N110-S113 WeakPolarHBondContact O-CB 3.21Å; N110-S113 PolarHBondContact O-N 2.78Å; N110-T114 PolarHBondContact O-N 3.01Å; N110-T114 PolarHBondContact O-OG1 2.84Å
111R88.3Confident93.1Very high114 Ų11455.8 Ų55.843%0.4329%0.292SS..Hα-helixtrans-47.5-45.8176.8-177.2-178.3176.9-149.4-3.4113.2E22 C109 S113 T114 C115E22-R111 IonicContact OE1-NH2 2.99Å; E22-R111 PolarHBondContact OE1-NH2 2.71Å; E22-R111 IonicContact OE2-CZ 2.73Å; E22-R111 IonicContact OE2-NH2 3.18Å; E22-R111 PolarHBondContact OE2-NH2 3.39Å; C109-R111 PolarHBondContact O-N 2.8Å; R111-S113 VanDerWaalsContact C-N 3.29Å; R111-S113 PolarHBondContact O-N 3.41Å; R111-T114 PolarHBondContact O-N 2.93Å; R111-C115 PolarHBondContact O-N 2.82Å; R111-C115 PolarHBondContact O-SG 2.99Å
112A89.6Confident92.8Very high2 Ų256.5 Ų56.52%0.01732%0.315CS..Hα-helixtrans-62.3-39.7-179.900000111.5M20 Y33 V35 N110 C115 L116M20-A112 HydrophobicContact SD-CB 4.29Å; Y33-A112 HydrophobicContact CD1-CB 3.66Å; Y33-A112 HydrophobicContact CE1-CB 4.49Å; Y33-A112 HydrophobicContact CG-CB 4.07Å; V35-A112 HydrophobicContact CG2-CB 3.78Å; N110-A112 VanDerWaalsContact C-N 3.26Å; N110-A112 PolarHBondContact O-N 2.96Å; N110-A112 PolarHBondContact OD1-N 2.79Å; A112-C115 PolarHBondContact O-N 3.37Å; A112-L116 PolarHBondContact O-N 3.31Å
113S92.2Very high92.4Very high3 Ų350.9 Ų50.92%0.02131%0.31CS..Hα-helixtrans-66.8-42175.1-49.70000111.7D107 N110 R111 C115 L116 A117D107-S113 WeakPolarHBondContact O-CB 3.49Å; D107-S113 PolarHBondContact O-OG 2.96Å; N110-S113 WeakPolarHBondContact O-CA 3.18Å; N110-S113 VanDerWaalsContact O-CB 3.29Å; N110-S113 WeakPolarHBondContact O-CB 3.21Å; N110-S113 PolarHBondContact O-N 2.78Å; R111-S113 VanDerWaalsContact C-N 3.29Å; R111-S113 PolarHBondContact O-N 3.41Å; S113-C115 PolarHBondContact O-N 3.41Å; S113-L116 PolarHBondContact O-N 2.57Å; S113-A117 WeakPolarHBondContact O-CB 3.34Å; S113-A117 PolarHBondContact O-N 3.36Å
114T92.6Very high92.1Very high54 Ų5457.6 Ų57.633%0.33133%0.334SS..Hα-helixtrans-60.4-45.3175.5-50.20000111.3V108 N110 R111 A117 Q118V108-T114 PolarHBondContact O-OG1 3.5Å; N110-T114 PolarHBondContact O-N 3.01Å; N110-T114 PolarHBondContact O-OG1 2.84Å; R111-T114 PolarHBondContact O-N 2.93Å; T114-A117 PolarHBondContact O-N 2.82Å; T114-Q118 HydrophobicContact CG2-CG 4.47Å; T114-Q118 WeakPolarHBondContact O-CB 3.47Å; T114-Q118 WeakPolarHBondContact O-CG 3.25Å; T114-Q118 PolarHBondContact O-N 2.92Å
115C92.4Very high91.9Very high43 Ų4356 Ų5629%0.29133%0.326SS..Hα-helixtrans-62.2-43.8176.7-67.80000111.9M20 R111 A112 S113 Q118 F119M20-C115 HydrophobicContact CE-CB 4.43Å; R111-C115 PolarHBondContact O-N 2.82Å; R111-C115 PolarHBondContact O-SG 2.99Å; A112-C115 PolarHBondContact O-N 3.37Å; S113-C115 PolarHBondContact O-N 3.41Å; C115-Q118 PolarHBondContact O-N 2.67Å; C115-F119 WeakPolarHBondContact O-CB 3.47Å; C115-F119 PolarHBondContact O-N 3.48Å
116L93.6Very high91.8Very high3 Ų355.3 Ų55.32%0.01632%0.322CS..Hα-helixtrans-59.8-48.9175.3177.663.4000111.3I18 V35 I37 W83 L105 A112 S113 Q118 F119 V120 L157I18-L116 HydrophobicContact CD1-CD2 4.36Å; V35-L116 HydrophobicContact CB-CD2 3.82Å; V35-L116 HydrophobicContact CG1-CD2 3.6Å; V35-L116 HydrophobicContact CG2-CB 4.47Å; V35-L116 HydrophobicContact CG2-CD2 4.36Å; I37-L116 HydrophobicContact CG2-CD2 4.39Å; W83-L116 HydrophobicContact CE3-CD1 4.2Å; W83-L116 HydrophobicContact CZ3-CD1 3.53Å; L105-L116 HydrophobicContact CD2-CD2 4.42Å; A112-L116 PolarHBondContact O-N 3.31Å; S113-L116 PolarHBondContact O-N 2.57Å; L116-Q118 PolarHBondContact O-N 2.91Å; L116-F119 PolarHBondContact O-N 3.22Å; L116-V120 HydrophobicContact CD1-CG2 4.21Å; L116-V120 WeakPolarHBondContact O-CG2 3.49Å; L116-V120 PolarHBondContact O-N 2.92Å; L116-L157 HydrophobicContact CD1-CD2 4.1Å; L116-L157 HydrophobicContact CD2-CD2 4.16Å; L116-L157 HydrophobicContact CG-CD2 4.32Å
117A94.9Very high91.8Very high14 Ų1454.2 Ų54.212%0.11631%0.313CS..Hα-helixtrans-61.3-45.6179.300000111.8L105 S113 T114 F119 V120 L121 M164L105-A117 HydrophobicContact CD1-CB 3.9Å; S113-A117 WeakPolarHBondContact O-CB 3.34Å; S113-A117 PolarHBondContact O-N 3.36Å; T114-A117 PolarHBondContact O-N 2.82Å; A117-F119 VanDerWaalsContact C-N 3.33Å; A117-F119 PolarHBondContact O-N 3.4Å; A117-V120 PolarHBondContact O-N 3.3Å; A117-L121 HydrophobicContact CB-CD1 4.4Å; A117-L121 WeakPolarHBondContact O-CB 3.28Å; A117-L121 VanDerWaalsContact O-CG 3.23Å; A117-L121 WeakPolarHBondContact O-CG 3.46Å; A117-L121 PolarHBondContact O-N 3.01Å; A117-M164 HydrophobicContact CB-SD 3.96Å
118Q94Very high91.9Very high132 Ų13251.2 Ų51.262%0.61730%0.297SS*.Hα-helixtrans-61.5-40.4176.6-75.1177.7-12.800112.3T114 C115 L116 G122T114-Q118 HydrophobicContact CG2-CG 4.47Å; T114-Q118 WeakPolarHBondContact O-CB 3.47Å; T114-Q118 WeakPolarHBondContact O-CG 3.25Å; T114-Q118 PolarHBondContact O-N 2.92Å; C115-Q118 PolarHBondContact O-N 2.67Å; L116-Q118 PolarHBondContact O-N 2.91Å; Q118-G122 PolarHBondContact O-N 3.49Å
119F92.5Very high91.6Very high48 Ų4847.4 Ų47.421%0.21128%0.275CS..Hα-helixtrans-60.2-49.4176.3-177.3-84.4000111.3W83 P86 C115 L116 A117 R124 V126W83-F119 AromaticContact CH2-CD1 3.55Å; W83-F119 HydrophobicContact CH2-CD1 3.55Å; W83-F119 HydrophobicContact CH2-CD2 4.29Å; W83-F119 AromaticContact CH2-CE1 3.45Å; W83-F119 HydrophobicContact CH2-CE1 3.45Å; W83-F119 VanDerWaalsContact CH2-CE1 3.45Å; W83-F119 HydrophobicContact CH2-CE2 4.19Å; W83-F119 AromaticContact CH2-CG 3.99Å; W83-F119 HydrophobicContact CH2-CG 3.99Å; W83-F119 AromaticContact CH2-CZ 3.79Å; W83-F119 HydrophobicContact CH2-CZ 3.79Å; W83-F119 HydrophobicContact CZ2-CD1 4.36Å; W83-F119 AromaticContact CZ2-CE1 3.82Å; W83-F119 HydrophobicContact CZ2-CE1 3.82Å; W83-F119 HydrophobicContact CZ2-CE2 4.27Å; W83-F119 AromaticContact CZ2-CZ 3.77Å; W83-F119 HydrophobicContact CZ2-CZ 3.77Å; W83-F119 HydrophobicContact CZ3-CD1 4.42Å; P86-F119 HydrophobicContact CG-CZ 4.13Å; C115-F119 WeakPolarHBondContact O-CB 3.47Å; C115-F119 PolarHBondContact O-N 3.48Å; L116-F119 PolarHBondContact O-N 3.22Å; A117-F119 VanDerWaalsContact C-N 3.33Å; A117-F119 PolarHBondContact O-N 3.4Å; F119-R124 HydrophobicContact CD1-CB 3.74Å; F119-R124 HydrophobicContact CE1-CB 3.32Å; F119-R124 HydrophobicContact CE1-CG 4.28Å; F119-R124 HydrophobicContact CE2-CB 4.4Å; F119-R124 VanDerWaalsContact CE2-CD 3.41Å; F119-R124 HydrophobicContact CG-CB 4.43Å; F119-R124 HydrophobicContact CZ-CB 3.7Å; F119-R124 VanDerWaalsContact CZ-CD 3.45Å; F119-R124 HydrophobicContact CZ-CG 4.22Å; F119-R124 WeakPolarHBondContact O-CB 3.18Å; F119-V126 HydrophobicContact CD1-CG2 3.79Å; F119-V126 HydrophobicContact CE1-CG2 3.64Å
120V94.5Very high90.8Very high0 Ų044.5 Ų44.50%025%0.249CC..Hα-helixtrans-70.2-50.5-177.1176.50000111.1L116 A117 G122 G123 R124 V126 L157 T158 C159 M164L116-V120 HydrophobicContact CD1-CG2 4.21Å; L116-V120 WeakPolarHBondContact O-CG2 3.49Å; L116-V120 PolarHBondContact O-N 2.92Å; A117-V120 PolarHBondContact O-N 3.3Å; V120-G122 PolarHBondContact O-N 2.83Å; V120-G123 PolarHBondContact O-N 3.45Å; V120-R124 WeakPolarHBondContact CA-O 3.31Å; V120-R124 PolarHBondContact O-N 3.02Å; V120-V126 HydrophobicContact CG2-CG2 3.94Å; V120-L157 HydrophobicContact CG1-CG 4.45Å; V120-L157 HydrophobicContact CG2-CD2 3.91Å; V120-L157 HydrophobicContact CG2-CG 4.06Å; V120-T158 VanDerWaalsContact CG1-C 3.41Å; V120-C159 HydrophobicContact CG1-CB 4.15Å; V120-C159 PolarHBondContact O-SG 3.22Å; V120-M164 HydrophobicContact CB-CE 4.11Å; V120-M164 HydrophobicContact CG1-CE 4.2Å; V120-M164 HydrophobicContact CG1-CG 3.99Å; V120-M164 HydrophobicContact CG2-CE 4.24Å
121L95.2Very high89.3Confident79 Ų7953.1 Ų53.141%0.41428%0.278SS..Hα-helixtrans-65.5-18.3178.7-66.4172.7000113.1A117 G123 C159 M164A117-L121 HydrophobicContact CB-CD1 4.4Å; A117-L121 WeakPolarHBondContact O-CB 3.28Å; A117-L121 VanDerWaalsContact O-CG 3.23Å; A117-L121 WeakPolarHBondContact O-CG 3.46Å; A117-L121 PolarHBondContact O-N 3.01Å; L121-G123 PolarHBondContact O-N 3.31Å; L121-C159 HydrophobicContact CD2-CB 4.06Å; L121-M164 HydrophobicContact CD2-CG 3.79Å; L121-M164 HydrophobicContact CG-CG 4.02Å; L121-M164 HydrophobicContact CG-SD 4.34Å
122G93.1Very high87.7Confident63 Ų6347.9 Ų47.965%0.64926%0.259SS*.THydrogen-bonded Turntrans-71.94.5168.200000114.3Q118 V120Q118-G122 PolarHBondContact O-N 3.49Å; V120-G122 PolarHBondContact O-N 2.83Å
123G90.1Very high85.6Confident54 Ų5456.8 Ų56.856%0.55730%0.3SS*.THydrogen-bonded Turntrans91.76.2177.300000114.5V120 L121V120-G123 PolarHBondContact O-N 3.45Å; L121-G123 PolarHBondContact O-N 3.31Å
124R90.2Very high83.6Confident159 Ų15959.8 Ų59.860%0.631%0.313SS*.  trans-90.3145.7176.6-58.1-179.2177.6-178.8-2.8110.1F119 V120F119-R124 HydrophobicContact CD1-CB 3.74Å; F119-R124 HydrophobicContact CE1-CB 3.32Å; F119-R124 HydrophobicContact CE1-CG 4.28Å; F119-R124 HydrophobicContact CE2-CB 4.4Å; F119-R124 VanDerWaalsContact CE2-CD 3.41Å; F119-R124 HydrophobicContact CG-CB 4.43Å; F119-R124 HydrophobicContact CZ-CB 3.7Å; F119-R124 VanDerWaalsContact CZ-CD 3.45Å; F119-R124 HydrophobicContact CZ-CG 4.22Å; F119-R124 WeakPolarHBondContact O-CB 3.18Å; V120-R124 WeakPolarHBondContact CA-O 3.31Å; V120-R124 PolarHBondContact O-N 3.02Å
125S91.5Very high81.1Confident44 Ų4462.9 Ų62.931%0.30834%0.336SS..  trans-107148.6175.4-56.20000110.5L157 T158S125-L157 CarbonylContact C-O 3.59Å; S125-L157 WeakPolarHBondContact CA-O 3.42Å; S125-T158 WeakPolarHBondContact OG-CB 3.27Å; S125-T158 PolarHBondContact OG-OG1 3.07Å
126V91.6Very high78.8Confident0 Ų065 Ų650%034%0.341CS..EExtended strand (participates in β ladder)trans-119.2109-179-179.30000107.7W83 F119 V120 L128 L157W83-V126 HydrophobicContact CD2-CG1 3.47Å; W83-V126 VanDerWaalsContact CD2-CG1 3.47Å; W83-V126 HydrophobicContact CE3-CB 4.21Å; W83-V126 HydrophobicContact CE3-CG1 3.22Å; W83-V126 HydrophobicContact CE3-CG2 3.95Å; W83-V126 HydrophobicContact CG-CG1 4.15Å; W83-V126 HydrophobicContact CH2-CB 4.26Å; W83-V126 HydrophobicContact CH2-CG1 4.03Å; W83-V126 HydrophobicContact CH2-CG2 3.27Å; W83-V126 HydrophobicContact CZ2-CG1 4.21Å; W83-V126 HydrophobicContact CZ2-CG2 3.93Å; W83-V126 HydrophobicContact CZ3-CB 4.03Å; W83-V126 HydrophobicContact CZ3-CG1 3.54Å; W83-V126 HydrophobicContact CZ3-CG2 3.27Å; F119-V126 HydrophobicContact CD1-CG2 3.79Å; F119-V126 HydrophobicContact CE1-CG2 3.64Å; V120-V126 HydrophobicContact CG2-CG2 3.94Å; V126-L128 HydrophobicContact CG1-CD2 3.78Å; V126-L128 HydrophobicContact CG1-CG 4.49Å; V126-L157 HydrophobicContact CB-CB 4.24Å; V126-L157 PolarHBondContact N-O 2.71Å; V126-L157 PolarHBondContact O-N 3.32Å
127A91.7Very high76.2Confident6 Ų670.3 Ų70.35%0.0538%0.376CS..EExtended strand (participates in β ladder)trans-70136168.900000109.1V84 E153 L156V84-A127 HydrophobicContact CB-CB 4Å; V84-A127 WeakPolarHBondContact CB-O 3.42Å; V84-A127 HydrophobicContact CG2-CB 4.38Å; V84-A127 PolarHBondContact N-O 3.09Å; A127-E153 VanDerWaalsContact CB-CD 3.47Å; A127-E153 HydrophobicContact CB-CG 3.95Å; A127-E153 VanDerWaalsContact CB-OE1 3.27Å; A127-E153 WeakPolarHBondContact CB-OE1 3.2Å; A127-L156 HydrophobicContact CB-CD1 4.43Å
128L92.6Very high73.6Confident0 Ų074.1 Ų74.10%041%0.407CS..EExtended strand (participates in β ladder)trans-118.1112.7-179.7-60.1177.4000107.6V15 I81 K82 V126 A154 L155 L157V15-L128 HydrophobicContact CG1-CD2 3.69Å; V15-L128 HydrophobicContact CG2-CD1 4.15Å; V15-L128 HydrophobicContact CG2-CD2 4.13Å; I81-L128 HydrophobicContact CD1-CB 3.7Å; I81-L128 WeakPolarHBondContact CD1-O 3.29Å; I81-L128 HydrophobicContact CG1-CB 3.95Å; I81-L128 HydrophobicContact CG2-CB 4.09Å; I81-L128 HydrophobicContact CG2-CD1 4.06Å; I81-L128 HydrophobicContact CG2-CD2 4.39Å; I81-L128 HydrophobicContact CG2-CG 4.42Å; K82-L128 WeakPolarHBondContact O-CA 3.26Å; V126-L128 HydrophobicContact CG1-CD2 3.78Å; V126-L128 HydrophobicContact CG1-CG 4.49Å; L128-A154 PolarHBondContact O-N 2.79Å; L128-L155 HydrophobicContact CB-CB 4.01Å; L128-L155 WeakPolarHBondContact CB-O 2.98Å; L128-L155 HydrophobicContact CD1-CB 4.17Å; L128-L155 PolarHBondContact N-O 3.19Å; L128-L155 PolarHBondContact O-N 2.87Å; L128-L155 VanDerWaalsContact O-N 3.12Å; L128-L157 HydrophobicContact CD1-CB 4.18Å
129A84.9Confident71.3Confident9 Ų972.1 Ų72.17%0.07440%0.4CS..EExtended strand (participates in β ladder)trans-124.7156.5179.500000108.7I81 K82 V84 D152I81-A129 WeakPolarHBondContact CG1-O 3.32Å; K82-A129 WeakPolarHBondContact CA-O 2.86Å; K82-A129 WeakPolarHBondContact CB-O 3.21Å; K82-A129 PolarHBondContact N-O 3.49Å; K82-A129 PolarHBondContact O-N 3.22Å; K82-A129 VanDerWaalsContact O-N 3.11Å; K82-A129 VanDerWaalsContact O-O 3.07Å; V84-A129 HydrophobicContact CG2-CB 3.4Å; V84-A129 VanDerWaalsContact CG2-CB 3.4Å; A129-D152 VanDerWaalsContact CB-O 3.28Å; A129-D152 WeakPolarHBondContact CB-O 3.31Å
130H71.4Confident68.7Low60 Ų6074.6 Ų74.628%0.27842%0.421SS..  trans-106.6157.8150.7-172.6-94.3000105.6F56 L132F56-H130 HydrophobicContact CD1-CB 3.89Å; F56-H130 HydrophobicContact CE1-CB 3.25Å; F56-H130 AromaticContact CE1-CG 3.76Å; F56-H130 HydrophobicContact CZ-CB 4.11Å; H130-L132 HydrophobicContact CB-CD2 4.29Å; H130-L132 HydrophobicContact CB-CG 4.02Å; H130-L132 PolarHBondContact O-N 3.49Å
131R57.7Low66.1Low228 Ų22881.4 Ų81.486%0.8646%0.458SS*.  trans-67.377.1167.7-71.2-171.6-177.5-173.51.2107.8Q133R131-Q133 PolarHBondContact O-N 2.92Å
132L54.4Low63.5Low5 Ų585 Ų853%0.02648%0.478CS..  trans-83.3104.8172.7-62.9164.6000103.2K55 F56 H130 F134 D152K55-L132 HydrophobicContact CD-CD2 3.9Å; F56-L132 HydrophobicContact CE1-CD1 4.25Å; F56-L132 HydrophobicContact CE1-CD2 3.89Å; F56-L132 HydrophobicContact CE1-CG 4.36Å; F56-L132 HydrophobicContact CZ-CD1 3.79Å; F56-L132 HydrophobicContact CZ-CD2 4.13Å; F56-L132 HydrophobicContact CZ-CG 4.38Å; H130-L132 HydrophobicContact CB-CD2 4.29Å; H130-L132 HydrophobicContact CB-CG 4.02Å; H130-L132 PolarHBondContact O-N 3.49Å; L132-F134 HydrophobicContact CB-CD2 3.34Å; L132-F134 HydrophobicContact CB-CE2 3.4Å; L132-F134 VanDerWaalsContact CB-CE2 3.4Å; L132-F134 HydrophobicContact CB-CG 4.12Å; L132-F134 HydrophobicContact CB-CZ 4.17Å; L132-F134 HydrophobicContact CD1-CD2 4.03Å; L132-F134 HydrophobicContact CD1-CE2 3.26Å; L132-F134 HydrophobicContact CD1-CZ 3.97Å; L132-F134 HydrophobicContact CD2-CE2 4.33Å; L132-F134 HydrophobicContact CD2-CZ 4.46Å; L132-F134 HydrophobicContact CG-CD2 4.24Å; L132-F134 HydrophobicContact CG-CE2 3.79Å; L132-F134 HydrophobicContact CG-CZ 4.4Å; L132-F134 PolarHBondContact O-N 3.21Å; L132-D152 VanDerWaalsContact O-OD1 3.12Å
133Q46.8Very low61Low189 Ų18984.4 Ų84.488%0.88346%0.463SS*.  trans-66.281.3163.4-70.6179.2-4.200106.9R131R131-Q133 PolarHBondContact O-N 2.92Å
134F50.2Low58.5Low65 Ų6588.8 Ų88.829%0.28547%0.474SS..  trans-89.4100.7165-72.6-59.7000106.7I52 L132 F136I52-F134 HydrophobicContact CG2-CE1 4.28Å; I52-F134 HydrophobicContact CG2-CZ 3.62Å; L132-F134 HydrophobicContact CB-CD2 3.34Å; L132-F134 HydrophobicContact CB-CE2 3.4Å; L132-F134 VanDerWaalsContact CB-CE2 3.4Å; L132-F134 HydrophobicContact CB-CG 4.12Å; L132-F134 HydrophobicContact CB-CZ 4.17Å; L132-F134 HydrophobicContact CD1-CD2 4.03Å; L132-F134 HydrophobicContact CD1-CE2 3.26Å; L132-F134 HydrophobicContact CD1-CZ 3.97Å; L132-F134 HydrophobicContact CD2-CE2 4.33Å; L132-F134 HydrophobicContact CD2-CZ 4.46Å; L132-F134 HydrophobicContact CG-CD2 4.24Å; L132-F134 HydrophobicContact CG-CE2 3.79Å; L132-F134 HydrophobicContact CG-CZ 4.4Å; L132-F134 PolarHBondContact O-N 3.21Å; F134-F136 HydrophobicContact CB-CD2 3.99Å; F134-F136 HydrophobicContact CB-CE2 3.89Å; F134-F136 HydrophobicContact CG-CE2 4.39Å; F134-F136 PolarHBondContact O-N 2.73Å
135S38.7Very low56.2Low119 Ų11990.6 Ų90.683%0.83249%0.486SS*.  trans-70.687.2157.453.60000107.3
136F45.1Very low53.8Low87 Ų8794 Ų9438%0.38250%0.5SS..PPolyproline II helixtrans-65.5141.1155.1-76.5-80.1000107.3F134 A138 T151F134-F136 HydrophobicContact CB-CD2 3.99Å; F134-F136 HydrophobicContact CB-CE2 3.89Å; F134-F136 HydrophobicContact CG-CE2 4.39Å; F134-F136 PolarHBondContact O-N 2.73Å; F136-A138 PolarHBondContact O-N 2.94Å; F136-T151 HydrophobicContact CD2-CG2 4.16Å; F136-T151 HydrophobicContact CE2-CG2 4.49Å
137P39.2Very low51.3Low116 Ų11698.9 Ų98.975%0.75353%0.53SS*.PPolyproline II helixtrans-54.6117.7167.523-30.3000106.7L139P137-L139 PolarHBondContact O-N 2.94Å; P137-L139 VanDerWaalsContact O-N 3.14Å
138A40.2Very low48.9Very low94 Ų94102.1 Ų102.178%0.77755%0.553SS**PPolyproline II helixtrans-49124.6-179.200000108.1F136F136-A138 PolarHBondContact O-N 2.94Å
139L45.3Very low46.6Very low89 Ų89105.5 Ų105.547%0.46658%0.575SS.*PPolyproline II helixtrans-55.5143.5165.5-84.398.2000107.6P137 N141P137-L139 PolarHBondContact O-N 2.94Å; P137-L139 VanDerWaalsContact O-N 3.14Å; L139-N141 PolarHBondContact O-N 2.85Å; L139-N141 VanDerWaalsContact O-N 3.16Å
140P37.8Very low45Very low100 Ų100107.9 Ų107.965%0.64959%0.592SS**PPolyproline II helixtrans-49.5126.7171.8-22.331.2000109.1D142P140-D142 PolarHBondContact O-N 2.99Å
141N41Very low44.4Very low144 Ų144107.3 Ų107.377%0.7759%0.593SS**SBendtrans-71.323.1-165.5-122.72000114.1L139 S143L139-N141 PolarHBondContact O-N 2.85Å; L139-N141 VanDerWaalsContact O-N 3.16Å; N141-S143 VanDerWaalsContact C-N 3.3Å; N141-S143 PolarHBondContact O-N 3Å
142D40.4Very low45.2Very low155 Ų15598.4 Ų98.483%0.82956%0.562SS**  trans-88.78.6-166.7-64.6-20.1000113.6P140P140-D142 PolarHBondContact O-N 2.99Å
143S39.4Very low46.7Very low49 Ų4998.7 Ų98.734%0.34356%0.563SS.*  trans-136106.3172.762.60000112.3N141 F145N141-S143 VanDerWaalsContact C-N 3.3Å; N141-S143 PolarHBondContact O-N 3Å; S143-F145 PolarHBondContact O-N 2.82Å
144N38.4Very low48.7Very low147 Ų14789.7 Ų89.779%0.78652%0.521SS*.THydrogen-bonded Turntrans-60.410169.4-76.4-27.9000114.3
145F41.5Very low50.8Low197 Ų19786.7 Ų86.786%0.86451%0.508SS*.THydrogen-bonded Turntrans-100.3-14.2-174.8-100.2-86.5000114.6S143S143-F145 PolarHBondContact O-N 2.82Å
146L42.4Very low53.5Low114 Ų11481.8 Ų81.860%0.59747%0.472SS*.SBendtrans-114.211.6-176-66.3175.6000114.4S148L146-S148 VanDerWaalsContact C-N 3.33Å; L146-S148 PolarHBondContact O-N 2.92Å; L146-S148 VanDerWaalsContact O-N 3.07Å
147T37.3Very low55.9Low103 Ų10377.6 Ų77.663%0.63245%0.454SS*.THydrogen-bonded Turntrans-81.425.1-164.551.10000116.7
148S42.7Very low58.6Low75 Ų7572.7 Ų72.752%0.52442%0.422SS..THydrogen-bonded Turntrans-1432.1178.571.80000118.5L146 S150L146-S148 VanDerWaalsContact C-N 3.33Å; L146-S148 PolarHBondContact O-N 2.92Å; L146-S148 VanDerWaalsContact O-N 3.07Å; S148-S150 PolarHBondContact O-N 2.93Å
149C44.3Very low61.2Low70 Ų7069.1 Ų69.147%0.47339%0.391SS..  trans-74.6103.1173-163.60000108.7T151C149-T151 PolarHBondContact O-N 2.82Å
150S51.4Low63.6Low59 Ų5969.7 Ų69.741%0.41339%0.391SS..  trans-58.8110.3169.7178.60000107.6S148 D152S148-S150 PolarHBondContact O-N 2.93Å; S150-D152 PolarHBondContact O-N 3.12Å
151T58.8Low66.2Low49 Ų4968.2 Ų68.230%0.30139%0.394SS..THydrogen-bonded Turntrans-67.31.1-175.946.80000114.1F136 C149F136-T151 HydrophobicContact CD2-CG2 4.16Å; F136-T151 HydrophobicContact CE2-CG2 4.49Å; C149-T151 PolarHBondContact O-N 2.82Å
152D74.7Confident68.7Low40 Ų4066.4 Ų66.421%0.21439%0.393CS..THydrogen-bonded Turntrans-101.8-6.5-166.1-55-9.7000112.1A129 L132 S150 A154A129-D152 VanDerWaalsContact CB-O 3.28Å; A129-D152 WeakPolarHBondContact CB-O 3.31Å; L132-D152 VanDerWaalsContact O-OD1 3.12Å; S150-D152 PolarHBondContact O-N 3.12Å; D152-A154 PolarHBondContact O-N 2.98Å
153E85Confident71.4Confident12 Ų1261.4 Ų61.46%0.05637%0.368CS..EExtended strand (participates in β ladder)trans-67.5119.5173.6-56.3-177.9167.500109.4R95 A127 L169 T171R95-E153 IonicContact CZ-OE1 3.52Å; R95-E153 IonicContact CZ-OE2 2.62Å; R95-E153 IonicContact NE-OE1 2.93Å; R95-E153 IonicContact NE-OE2 3.41Å; R95-E153 PolarHBondContact NE-OE2 3.2Å; R95-E153 IonicContact NH2-OE1 3.79Å; R95-E153 PolarHBondContact NH2-OE1 2.89Å; R95-E153 IonicContact NH2-OE2 3.51Å; R95-E153 PolarHBondContact NH2-OE2 3.35Å; A127-E153 VanDerWaalsContact CB-CD 3.47Å; A127-E153 HydrophobicContact CB-CG 3.95Å; A127-E153 VanDerWaalsContact CB-OE1 3.27Å; A127-E153 WeakPolarHBondContact CB-OE1 3.2Å; E153-L169 HydrophobicContact CB-CD1 3.6Å; E153-T171 PolarHBondContact O-OG1 2.56Å
154A89.7Confident74.1Confident0 Ų059.9 Ų59.90%036%0.355CS..EExtended strand (participates in β ladder)trans-100.6-34.9178.500000111.9L47 I81 L128 D152 L169 I172L47-A154 HydrophobicContact CD2-CB 4.44Å; I81-A154 HydrophobicContact CD1-CB 4.37Å; L128-A154 PolarHBondContact O-N 2.79Å; D152-A154 PolarHBondContact O-N 2.98Å; A154-L169 WeakPolarHBondContact O-CB 3.35Å; A154-L169 PolarHBondContact O-N 3.1Å; A154-I172 HydrophobicContact CB-CG2 3.75Å
155L94.2Very high77Confident2 Ų254.8 Ų54.81%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-132.6157.8-176.7-50168.7000109.9V43 L47 I81 L128 I166 H167 V168V43-L155 HydrophobicContact CG1-CD1 4.35Å; V43-L155 HydrophobicContact CG1-CD2 3.88Å; L47-L155 HydrophobicContact CD1-CD1 4.25Å; L47-L155 HydrophobicContact CD1-CD2 4.5Å; L47-L155 HydrophobicContact CD2-CD2 4.31Å; I81-L155 HydrophobicContact CD1-CB 4.46Å; I81-L155 HydrophobicContact CD1-CD1 3.87Å; I81-L155 HydrophobicContact CD1-CG 4.14Å; L128-L155 HydrophobicContact CB-CB 4.01Å; L128-L155 WeakPolarHBondContact CB-O 2.98Å; L128-L155 HydrophobicContact CD1-CB 4.17Å; L128-L155 PolarHBondContact N-O 3.19Å; L128-L155 PolarHBondContact O-N 2.87Å; L128-L155 VanDerWaalsContact O-N 3.12Å; L155-I166 HydrophobicContact CB-CD1 4.3Å; L155-I166 HydrophobicContact CB-CG1 4.18Å; L155-I166 HydrophobicContact CD1-CD1 3.8Å; L155-I166 HydrophobicContact CD1-CG1 4.5Å; L155-I166 HydrophobicContact CG-CD1 4.46Å; L155-H167 CarbonylContact C-O 3.58Å; L155-H167 WeakPolarHBondContact CA-O 3.39Å; L155-V168 HydrophobicContact CD2-CB 4.33Å; L155-V168 HydrophobicContact CD2-CG1 4.35Å; L155-V168 HydrophobicContact CD2-CG2 4Å
156L94.6Very high79.7Confident15 Ų1545.4 Ų45.48%0.07928%0.284CS..EExtended strand (participates in β ladder)trans-132.5122.5173176.681.6000108.8R95 A127 T158 I166 H167 L169R95-L156 HydrophobicContact CB-CD2 4.5Å; A127-L156 HydrophobicContact CB-CD1 4.43Å; L156-T158 HydrophobicContact CD2-CG2 4.47Å; L156-I166 WeakPolarHBondContact O-CA 3.37Å; L156-H167 HydrophobicContact CB-CB 4.12Å; L156-H167 PolarHBondContact N-O 3.47Å; L156-H167 PolarHBondContact O-N 3.07Å; L156-L169 HydrophobicContact CB-CD1 4.29Å; L156-L169 HydrophobicContact CB-CD2 3.84Å; L156-L169 HydrophobicContact CB-CG 4.22Å
157L96.4Very high82.2Confident0 Ų041.2 Ų41.20%026%0.261CS..EExtended strand (participates in β ladder)trans-94.7121.2172-178.371000108.8I37 V103 L116 V120 S125 V126 L128 M164 Y165I37-L157 HydrophobicContact CD1-CD1 4.38Å; V103-L157 HydrophobicContact CB-CD1 4.43Å; V103-L157 HydrophobicContact CG1-CD1 4.39Å; V103-L157 HydrophobicContact CG2-CD1 4.08Å; L116-L157 HydrophobicContact CD1-CD2 4.1Å; L116-L157 HydrophobicContact CD2-CD2 4.16Å; L116-L157 HydrophobicContact CG-CD2 4.32Å; V120-L157 HydrophobicContact CG1-CG 4.45Å; V120-L157 HydrophobicContact CG2-CD2 3.91Å; V120-L157 HydrophobicContact CG2-CG 4.06Å; S125-L157 CarbonylContact C-O 3.59Å; S125-L157 WeakPolarHBondContact CA-O 3.42Å; V126-L157 HydrophobicContact CB-CB 4.24Å; V126-L157 PolarHBondContact N-O 2.71Å; V126-L157 PolarHBondContact O-N 3.32Å; L128-L157 HydrophobicContact CD1-CB 4.18Å; L157-M164 HydrophobicContact CD1-CE 4.1Å; L157-M164 HydrophobicContact CD2-CE 4.07Å; L157-M164 HydrophobicContact CG-CE 4.31Å; L157-Y165 WeakPolarHBondContact CA-O 3.28Å
158T95Very high85Confident13 Ų1336.3 Ų36.38%0.0823%0.231CC..EExtended strand (participates in β ladder)trans-147.5176.2-176.7-167.90000110.8V120 S125 L156 M164 Y165 H167V120-T158 VanDerWaalsContact CG1-C 3.41Å; S125-T158 WeakPolarHBondContact OG-CB 3.27Å; S125-T158 PolarHBondContact OG-OG1 3.07Å; L156-T158 HydrophobicContact CD2-CG2 4.47Å; T158-M164 CarbonylContact O-C 3.59Å; T158-M164 WeakPolarHBondContact O-CA 3.38Å; T158-Y165 PolarHBondContact N-O 3.47Å; T158-Y165 PolarHBondContact O-N 3.24Å; T158-H167 VanDerWaalsContact CG2-CD2 3.49Å; T158-H167 WeakPolarHBondContact CG2-CD2 3.47Å; T158-H167 WeakPolarHBondContact CG2-NE2 3.41Å
159C95.5Very high87.3Confident19 Ų1932.9 Ų32.913%0.12821%0.207CC..EExtended strand (participates in β ladder)trans-119.7146.8172.9690000112.3V120 L121 V163V120-C159 HydrophobicContact CG1-CB 4.15Å; V120-C159 PolarHBondContact O-SG 3.22Å; L121-C159 HydrophobicContact CD2-CB 4.06Å; C159-V163 CarbonylContact C-O 3.6Å; C159-V163 WeakPolarHBondContact CA-O 3.27Å; C159-V163 WeakPolarHBondContact CB-O 3.19Å
160H94.5Very high89.3Confident101 Ų10129.6 Ų29.647%0.46819%0.185SC..EExtended strand (participates in β ladder)trans-119.4106166.3-63.2-76.6000107.8S162 V163 Y165 H167H160-S162 PolarHBondContact O-N 2.79Å; H160-V163 PolarHBondContact N-O 3.11Å; H160-V163 PolarHBondContact O-N 2.89Å; H160-Y165 HydrophobicContact CB-CD2 4.17Å; H160-Y165 HydrophobicContact CB-CE2 3.93Å; H160-Y165 AromaticContact CD2-CD2 3.52Å; H160-Y165 AromaticContact CD2-CG 3.85Å; H160-H167 AromaticContact CD2-NE2 3.79Å; H160-H167 AromaticContact NE2-CE1 3.36Å; H160-H167 PolarHBondContact NE2-CE1 3.36Å; H160-H167 AromaticContact NE2-NE2 3Å; H160-H167 PolarHBondContact NE2-NE2 3.38Å
161G92.4Very high90.6Very high68 Ų6828.2 Ų28.270%0.70117%0.174SC*.THydrogen-bonded Turntrans65-127.1-166.400000110.7
162S93.6Very high91.6Very high107 Ų10726.5 Ų26.575%0.74816%0.163SC*.THydrogen-bonded Turntrans-97.118.4-178.264.90000114.1H160H160-S162 PolarHBondContact O-N 2.79Å
163V96.8Very high91.7Very high50 Ų5026.5 Ų26.530%0.30316%0.161SC..EExtended strand (participates in β ladder)trans-124.4131.1-173.4-177.80000109.7R102 C159 H160 Y165R102-V163 HydrophobicContact CG-CG1 3.95Å; C159-V163 CarbonylContact C-O 3.6Å; C159-V163 WeakPolarHBondContact CA-O 3.27Å; C159-V163 WeakPolarHBondContact CB-O 3.19Å; H160-V163 PolarHBondContact N-O 3.11Å; H160-V163 PolarHBondContact O-N 2.89Å; V163-Y165 HydrophobicContact CB-CD2 4.43Å; V163-Y165 HydrophobicContact CB-CE2 3.71Å; V163-Y165 HydrophobicContact CG1-CD2 4.16Å; V163-Y165 HydrophobicContact CG1-CE2 3.52Å; V163-Y165 VanDerWaalsContact O-CD2 3.25Å; V163-Y165 WeakPolarHBondContact O-CD2 3.44Å
164M97.8Very high90.7Very high17 Ų1730.4 Ų30.48%0.08419%0.187CC..EExtended strand (participates in β ladder)trans-82.6141.3176.9-65.6172.863.600111.3R102 V103 A117 V120 L121 L157 T158R102-M164 WeakPolarHBondContact CA-O 3.46Å; V103-M164 HydrophobicContact CB-CB 4.38Å; V103-M164 PolarHBondContact N-O 3.28Å; A117-M164 HydrophobicContact CB-SD 3.96Å; V120-M164 HydrophobicContact CB-CE 4.11Å; V120-M164 HydrophobicContact CG1-CE 4.2Å; V120-M164 HydrophobicContact CG1-CG 3.99Å; V120-M164 HydrophobicContact CG2-CE 4.24Å; L121-M164 HydrophobicContact CD2-CG 3.79Å; L121-M164 HydrophobicContact CG-CG 4.02Å; L121-M164 HydrophobicContact CG-SD 4.34Å; L157-M164 HydrophobicContact CD1-CE 4.1Å; L157-M164 HydrophobicContact CD2-CE 4.07Å; L157-M164 HydrophobicContact CG-CE 4.31Å; T158-M164 CarbonylContact O-C 3.59Å; T158-M164 WeakPolarHBondContact O-CA 3.38Å
165Y98.2Very high89.3Confident40 Ų4038.4 Ų38.416%0.15723%0.227CC..EExtended strand (participates in β ladder)trans-135142.9-180-71.5-99.7000111.1T100 Y101 R102 L157 T158 H160 V163T100-Y165 WeakPolarHBondContact OG1-CD1 3.41Å; Y101-Y165 CarbonylContact O-C 3.56Å; Y101-Y165 WeakPolarHBondContact O-CA 3.49Å; R102-Y165 HydrophobicContact CB-CE1 4.5Å; R102-Y165 HydrophobicContact CG-CD1 4.04Å; R102-Y165 HydrophobicContact CG-CE1 3.46Å; R102-Y165 VanDerWaalsContact CG-CE1 3.46Å; R102-Y165 HydrophobicContact CG-CE2 4.43Å; R102-Y165 PolarHBondContact NE-OH 3.08Å; L157-Y165 WeakPolarHBondContact CA-O 3.28Å; T158-Y165 PolarHBondContact N-O 3.47Å; T158-Y165 PolarHBondContact O-N 3.24Å; H160-Y165 HydrophobicContact CB-CD2 4.17Å; H160-Y165 HydrophobicContact CB-CE2 3.93Å; H160-Y165 AromaticContact CD2-CD2 3.52Å; H160-Y165 AromaticContact CD2-CG 3.85Å; V163-Y165 HydrophobicContact CB-CD2 4.43Å; V163-Y165 HydrophobicContact CB-CE2 3.71Å; V163-Y165 HydrophobicContact CG1-CD2 4.16Å; V163-Y165 HydrophobicContact CG1-CE2 3.52Å; V163-Y165 VanDerWaalsContact O-CD2 3.25Å; V163-Y165 WeakPolarHBondContact O-CD2 3.44Å
166I98Very high87.5Confident0 Ų039.7 Ų39.70%024%0.235CC..EExtended strand (participates in β ladder)trans-101.5124.2165.2-166.5166.1000108.6I37 H39 V43 T100 Y101 V103 L155 L156I37-I166 HydrophobicContact CD1-CD1 3.99Å; H39-I166 HydrophobicContact CB-CG2 3.86Å; V43-I166 HydrophobicContact CG1-CD1 4.47Å; V43-I166 HydrophobicContact CG2-CG2 3.93Å; T100-I166 WeakPolarHBondContact CA-O 3.38Å; Y101-I166 PolarHBondContact N-O 3.05Å; Y101-I166 PolarHBondContact O-N 3.46Å; V103-I166 HydrophobicContact CG2-CB 3.52Å; V103-I166 HydrophobicContact CG2-CG2 3.61Å; V103-I166 VanDerWaalsContact CG2-N 3.34Å; L155-I166 HydrophobicContact CB-CD1 4.3Å; L155-I166 HydrophobicContact CB-CG1 4.18Å; L155-I166 HydrophobicContact CD1-CD1 3.8Å; L155-I166 HydrophobicContact CD1-CG1 4.5Å; L155-I166 HydrophobicContact CG-CD1 4.46Å; L156-I166 WeakPolarHBondContact O-CA 3.37Å
167H96.1Very high85.6Confident26 Ų2644.7 Ų44.712%0.1226%0.258CS..EExtended strand (participates in β ladder)trans-101.6134.8176.7-71.3-117.9000108.9A97 A99 T100 L155 L156 T158 H160A97-H167 HydrophobicContact CB-CB 3.98Å; A99-H167 CarbonylContact O-C 3.42Å; A99-H167 WeakPolarHBondContact O-CA 3.5Å; T100-H167 PolarHBondContact OG1-CD2 3.44Å; T100-H167 PolarHBondContact OG1-CE1 3.06Å; T100-H167 PolarHBondContact OG1-NE2 3.5Å; T100-H167 VanDerWaalsContact OG1-NE2 3.13Å; L155-H167 CarbonylContact C-O 3.58Å; L155-H167 WeakPolarHBondContact CA-O 3.39Å; L156-H167 HydrophobicContact CB-CB 4.12Å; L156-H167 PolarHBondContact N-O 3.47Å; L156-H167 PolarHBondContact O-N 3.07Å; T158-H167 VanDerWaalsContact CG2-CD2 3.49Å; T158-H167 WeakPolarHBondContact CG2-CD2 3.47Å; T158-H167 WeakPolarHBondContact CG2-NE2 3.41Å; H160-H167 AromaticContact CD2-NE2 3.79Å; H160-H167 AromaticContact NE2-CE1 3.36Å; H160-H167 PolarHBondContact NE2-CE1 3.36Å; H160-H167 AromaticContact NE2-NE2 3Å; H160-H167 PolarHBondContact NE2-NE2 3.38Å
168V94.4Very high83.7Confident0 Ų049.6 Ų49.60%029%0.29CS..EExtended strand (participates in β ladder)trans-88.9115.8169.5-174.80000107.6V43 M46 A97 V98 A99 L155 I172 F173V43-V168 HydrophobicContact CB-CG2 4.38Å; V43-V168 HydrophobicContact CG1-CG2 4.09Å; V43-V168 HydrophobicContact CG2-CG2 4.16Å; M46-V168 HydrophobicContact CB-CG1 4.29Å; M46-V168 HydrophobicContact CE-CB 4.13Å; M46-V168 HydrophobicContact CE-CG1 3.87Å; M46-V168 HydrophobicContact SD-CB 4.26Å; M46-V168 HydrophobicContact SD-CG1 4.25Å; M46-V168 HydrophobicContact SD-CG2 4.02Å; A97-V168 CarbonylContact C-O 3.5Å; A97-V168 VanDerWaalsContact CA-O 3.29Å; A97-V168 WeakPolarHBondContact CA-O 3.49Å; V98-V168 HydrophobicContact CG2-CB 4Å; V98-V168 HydrophobicContact CG2-CG1 3.83Å; V98-V168 VanDerWaalsContact CG2-O 3.26Å; V98-V168 WeakPolarHBondContact CG2-O 2.97Å; V98-V168 PolarHBondContact N-O 2.83Å; A99-V168 HydrophobicContact CB-CB 4.24Å; A99-V168 HydrophobicContact CB-CG2 4.22Å; A99-V168 PolarHBondContact O-N 3.01Å; L155-V168 HydrophobicContact CD2-CB 4.33Å; L155-V168 HydrophobicContact CD2-CG1 4.35Å; L155-V168 HydrophobicContact CD2-CG2 4Å; V168-I172 HydrophobicContact CG1-CD1 3.97Å; V168-F173 HydrophobicContact CG1-CE2 4.27Å
169L91.3Very high81.7Confident3 Ų357.4 Ų57.42%0.01633%0.325CS..EExtended strand (participates in β ladder)trans-77.9148.6-175.8-61.4-175.5000111R95 E153 A154 L156 T171 I172R95-L169 HydrophobicContact CB-CD2 3.88Å; E153-L169 HydrophobicContact CB-CD1 3.6Å; A154-L169 WeakPolarHBondContact O-CB 3.35Å; A154-L169 PolarHBondContact O-N 3.1Å; L156-L169 HydrophobicContact CB-CD1 4.29Å; L156-L169 HydrophobicContact CB-CD2 3.84Å; L156-L169 HydrophobicContact CB-CG 4.22Å; L169-T171 VanDerWaalsContact C-N 3.25Å; L169-T171 WeakPolarHBondContact CB-OG1 3.28Å; L169-T171 PolarHBondContact O-N 3.14Å; L169-I172 WeakPolarHBondContact O-CG1 3.42Å
170A86.9Confident79.7Confident1 Ų161.7 Ų61.71%0.00835%0.347CS..G310 helixtrans-76.2-17.2-178.800000111.6F96 V98 I172 F173 T176F96-A170 HydrophobicContact CB-CB 3.88Å; F96-A170 HydrophobicContact CD1-CB 3.16Å; F96-A170 HydrophobicContact CD2-CB 4.36Å; F96-A170 HydrophobicContact CE1-CB 3.69Å; F96-A170 HydrophobicContact CG-CB 3.55Å; F96-A170 HydrophobicContact CZ-CB 4.45Å; F96-A170 VanDerWaalsContact O-CB 3.27Å; F96-A170 WeakPolarHBondContact O-CB 3.37Å; F96-A170 PolarHBondContact O-N 2.95Å; V98-A170 HydrophobicContact CG1-CB 3.74Å; A170-I172 PolarHBondContact O-N 3.48Å; A170-I172 VanDerWaalsContact O-N 3.07Å; A170-F173 VanDerWaalsContact O-CA 3.28Å; A170-F173 WeakPolarHBondContact O-CA 3.38Å; A170-F173 VanDerWaalsContact O-CB 3.25Å; A170-F173 WeakPolarHBondContact O-CB 3.47Å; A170-F173 PolarHBondContact O-N 2.96Å; A170-F173 VanDerWaalsContact O-O 3.08Å; A170-T176 HydrophobicContact CB-CG2 3.39Å; A170-T176 WeakPolarHBondContact O-CG2 3.39Å; A170-T176 PolarHBondContact O-OG1 3.43Å
171T79.5Confident77.8Confident30 Ų3063.1 Ų63.118%0.18436%0.356CS..G310 helixtrans-49.5-32.5175.143.30000114.2E153 L169 F173E153-T171 PolarHBondContact O-OG1 2.56Å; L169-T171 VanDerWaalsContact C-N 3.25Å; L169-T171 WeakPolarHBondContact CB-OG1 3.28Å; L169-T171 PolarHBondContact O-N 3.14Å; T171-F173 PolarHBondContact O-N 3.44Å
172I78.8Confident76Confident13 Ų1364.5 Ų64.57%0.06735%0.353CS..G310 helixtrans-781.3174.970.1178.2000112.9L47 R50 I52 A154 V168 L169 A170L47-I172 HydrophobicContact CD2-CD1 3.68Å; R50-I172 WeakPolarHBondContact CD-O 3.21Å; R50-I172 HydrophobicContact CG-CB 4.41Å; R50-I172 HydrophobicContact CG-CD1 4.07Å; R50-I172 HydrophobicContact CG-CG1 4.06Å; R50-I172 WeakPolarHBondContact CG-O 3.16Å; R50-I172 PolarHBondContact NE-O 3.18Å; I52-I172 HydrophobicContact CD1-CB 4.17Å; I52-I172 HydrophobicContact CD1-CD1 4.2Å; I52-I172 HydrophobicContact CD1-CG2 3.83Å; A154-I172 HydrophobicContact CB-CG2 3.75Å; V168-I172 HydrophobicContact CG1-CD1 3.97Å; L169-I172 WeakPolarHBondContact O-CG1 3.42Å; A170-I172 PolarHBondContact O-N 3.48Å; A170-I172 VanDerWaalsContact O-N 3.07Å
173F76.6Confident74.2Confident39 Ų3966 Ų6617%0.17135%0.352CS..SBendtrans-114.6125.4179.3-60-106.7000110.8M46 R50 V98 V168 A170 T171 M175 T176M46-F173 HydrophobicContact CE-CE2 4.32Å; M46-F173 HydrophobicContact CE-CZ 3.83Å; R50-F173 HydrophobicContact CG-CE1 4.31Å; R50-F173 HydrophobicContact CG-CZ 4.17Å; V98-F173 HydrophobicContact CG1-CD2 4.3Å; V98-F173 HydrophobicContact CG1-CE2 4.48Å; V98-F173 HydrophobicContact CG2-CD2 4.05Å; V98-F173 HydrophobicContact CG2-CE2 3.48Å; V98-F173 VanDerWaalsContact CG2-CE2 3.48Å; V98-F173 HydrophobicContact CG2-CZ 4.01Å; V168-F173 HydrophobicContact CG1-CE2 4.27Å; A170-F173 VanDerWaalsContact O-CA 3.28Å; A170-F173 WeakPolarHBondContact O-CA 3.38Å; A170-F173 VanDerWaalsContact O-CB 3.25Å; A170-F173 WeakPolarHBondContact O-CB 3.47Å; A170-F173 PolarHBondContact O-N 2.96Å; A170-F173 VanDerWaalsContact O-O 3.08Å; T171-F173 PolarHBondContact O-N 3.44Å; F173-M175 PolarHBondContact O-N 3.45Å; F173-T176 HydrophobicContact CB-CG2 3.9Å; F173-T176 VanDerWaalsContact O-CG2 3.27Å; F173-T176 WeakPolarHBondContact O-CG2 3.35Å; F173-T176 PolarHBondContact O-OG1 3.2Å
174P64.2Low72.2Confident94 Ų9465 Ų6561%0.6135%0.346SS*.THydrogen-bonded Turntrans-65.9-12.6-173.3-15.625.8000115.6R50 T176R50-P174 VanDerWaalsContact CZ-CD 3.43Å; P174-T176 VanDerWaalsContact C-N 3.34Å; P174-T176 PolarHBondContact O-N 2.99Å
175M60.8Low70.4Confident168 Ų16870.3 Ų70.383%0.82839%0.385SS*.THydrogen-bonded Turntrans-93.415.5-170.8-69.6-62.4-57.700113.8F173F173-M175 PolarHBondContact O-N 3.45Å
176T56.4Low68.8Low30 Ų3071.8 Ų71.818%0.18440%0.395CS..  trans-103.3-3.6-15956.10000114.6F96 A170 F173 P174F96-T176 HydrophobicContact CD1-CG2 4.1Å; F96-T176 HydrophobicContact CE1-CG2 4Å; A170-T176 HydrophobicContact CB-CG2 3.39Å; A170-T176 WeakPolarHBondContact O-CG2 3.39Å; A170-T176 PolarHBondContact O-OG1 3.43Å; F173-T176 HydrophobicContact CB-CG2 3.9Å; F173-T176 VanDerWaalsContact O-CG2 3.27Å; F173-T176 WeakPolarHBondContact O-CG2 3.35Å; F173-T176 PolarHBondContact O-OG1 3.2Å; P174-T176 VanDerWaalsContact C-N 3.34Å; P174-T176 PolarHBondContact O-N 2.99Å
177H55Low67.1Low120 Ų12077.4 Ų77.456%0.55643%0.432SS*.SBendtrans-96.1122164-69.5-57.5000109.4Q179H177-Q179 PolarHBondContact O-N 3.29Å
178P56.4Low65.7Low103 Ų10382.9 Ų82.967%0.66946%0.462SS*.PPolyproline II helixtrans-55.8137.9163.625.5-30.9000107.1N180P178-N180 PolarHBondContact O-N 3.31Å
179Q53.2Low64.4Low176 Ų17683.7 Ų83.782%0.82247%0.467SS*.PPolyproline II helixtrans-50.4142.8165.8-69.2-176.9-33.600107.4H177 I181H177-Q179 PolarHBondContact O-N 3.29Å; Q179-I181 PolarHBondContact O-N 2.88Å
180N53.5Low63.3Low109 Ų10985.9 Ų85.958%0.58349%0.485SS*.  trans-60.387.2171-77.5-29000107.6P178 P182P178-N180 PolarHBondContact O-N 3.31Å; N180-P182 WeakPolarHBondContact O-CD 3.38Å
181I53Low62.3Low131 Ų13189 Ų8967%0.67251%0.506SS*.  trans-70119.2172.7-63.3162.9000103.6Q179 L183Q179-I181 PolarHBondContact O-N 2.88Å; I181-L183 PolarHBondContact O-N 2.87Å; I181-L183 VanDerWaalsContact O-N 3.1Å
182P54.9Low62Low97 Ų9791 Ų9163%0.6353%0.533SS*.  trans-51.6126.6173.518.4-28.5000107.7N180 T184N180-P182 WeakPolarHBondContact O-CD 3.38Å; P182-T184 PolarHBondContact O-N 2.87Å
183L57.4Low62Low140 Ų14093.8 Ų93.873%0.73355%0.547SS*.SBendtrans-54.8-15.9-173.2-12381.1000112.6I181 P191I181-L183 PolarHBondContact O-N 2.87Å; I181-L183 VanDerWaalsContact O-N 3.1Å; L183-P191 HydrophobicContact CD2-CB 4.29Å; L183-P191 HydrophobicContact CD2-CG 4.32Å
184T54.9Low62.4Low28 Ų2895.5 Ų95.517%0.17255%0.553CS.*  trans-131.1123.2-17871.10000109.4P182 N186 V189 Y194P182-T184 PolarHBondContact O-N 2.87Å; T184-N186 WeakPolarHBondContact CB-O 3.38Å; T184-N186 PolarHBondContact O-N 3.46Å; T184-N186 PolarHBondContact OG1-O 2.81Å; T184-N186 VanDerWaalsContact OG1-O 3.08Å; T184-V189 WeakPolarHBondContact CG2-O 3.49Å; T184-Y194 HydrophobicContact CG2-CE2 4.29Å
185S59.8Low63.7Low128 Ų12893 Ų9390%0.89553%0.531SS*.SBendtrans-71.7-14.6166.553.50000111.8
186N63.4Low65.1Low72 Ų7289.4 Ų89.439%0.38552%0.515SS..SBendtrans-114.6114.6177.3-172-15.9000109.3T184 N188 V189T184-N186 WeakPolarHBondContact CB-O 3.38Å; T184-N186 PolarHBondContact O-N 3.46Å; T184-N186 PolarHBondContact OG1-O 2.81Å; T184-N186 VanDerWaalsContact OG1-O 3.08Å; N186-N188 PolarHBondContact O-N 3.11Å; N186-N188 WeakPolarHBondContact OD1-CB 3.45Å; N186-N188 PolarHBondContact OD1-N 3Å; N186-V189 HydrophobicContact CB-CG2 3.99Å; N186-V189 PolarHBondContact O-N 3.16Å
187P62.8Low66.7Low118 Ų11893.2 Ų93.277%0.76653%0.531SS*.THydrogen-bonded Turntrans-61.7-16.7-179.825-33.6000113.4
188N66.8Low68.5Low140 Ų14088.4 Ų88.475%0.74951%0.511SS*.THydrogen-bonded Turntrans-88.4-1.3-178.2-61.4-31.2000114.4N186N186-N188 PolarHBondContact O-N 3.11Å; N186-N188 WeakPolarHBondContact OD1-CB 3.45Å; N186-N188 PolarHBondContact OD1-N 3Å
189V66.2Low70.3Confident17 Ų1787.5 Ų87.510%0.10350%0.497CS..  trans-105.1119.5179.7178.20000107.5T184 N186 D193 Y194 M240T184-V189 WeakPolarHBondContact CG2-O 3.49Å; N186-V189 HydrophobicContact CB-CG2 3.99Å; N186-V189 PolarHBondContact O-N 3.16Å; V189-D193 HydrophobicContact CG1-CB 4.16Å; V189-Y194 HydrophobicContact CG1-CD2 4.38Å; V189-Y194 HydrophobicContact CG1-CE2 3.68Å; V189-M240 HydrophobicContact CB-CE 4.3Å; V189-M240 HydrophobicContact CG1-CE 3.47Å; V189-M240 VanDerWaalsContact CG1-CE 3.47Å; V189-M240 HydrophobicContact CG1-SD 4.38Å; V189-M240 HydrophobicContact CG2-CE 3.8Å
190A68.8Low72.2Confident49 Ų4981.6 Ų81.641%0.40547%0.47SS..  trans-79.4148171.100000109.3G192 D193A190-G192 PolarHBondContact O-N 2.79Å; A190-D193 PolarHBondContact N-OD2 3.32Å; A190-D193 WeakPolarHBondContact O-CB 3.2Å; A190-D193 PolarHBondContact O-N 2.83Å
191P66.5Low74.2Confident68 Ų6879.4 Ų79.444%0.44246%0.459SS..G310 helixtrans-53-28.3173.2-27.234.7000113.7L183 D193 Y194L183-P191 HydrophobicContact CD2-CB 4.29Å; L183-P191 HydrophobicContact CD2-CG 4.32Å; P191-D193 VanDerWaalsContact C-N 3.27Å; P191-D193 PolarHBondContact O-N 2.69Å; P191-Y194 PolarHBondContact O-N 2.96Å
192G72.3Confident76.1Confident72 Ų7278 Ų7874%0.74245%0.449SS*.G310 helixtrans-71-14.2176.400000115.2A190 Y194A190-G192 PolarHBondContact O-N 2.79Å; G192-Y194 VanDerWaalsContact C-N 3.28Å
193D79.1Confident78Confident71 Ų7173.9 Ų73.938%0.3842%0.422SS..G310 helixtrans-78-18.5178-61.4-30.3000112.1V189 A190 P191 M240V189-D193 HydrophobicContact CG1-CB 4.16Å; A190-D193 PolarHBondContact N-OD2 3.32Å; A190-D193 WeakPolarHBondContact O-CB 3.2Å; A190-D193 PolarHBondContact O-N 2.83Å; P191-D193 VanDerWaalsContact C-N 3.27Å; P191-D193 PolarHBondContact O-N 2.69Å; D193-M240 VanDerWaalsContact O-CA 3.26Å; D193-M240 WeakPolarHBondContact O-CA 3.48Å; D193-M240 WeakPolarHBondContact O-CB 3.38Å
194Y85.5Confident79.8Confident75 Ų7571.5 Ų71.529%0.29441%0.409SS..BIsolated β-bridgetrans-77.1139.9177.4-68.6-73000111.3T184 V189 P191 G192 I196 L239 M240T184-Y194 HydrophobicContact CG2-CE2 4.29Å; V189-Y194 HydrophobicContact CG1-CD2 4.38Å; V189-Y194 HydrophobicContact CG1-CE2 3.68Å; P191-Y194 PolarHBondContact O-N 2.96Å; G192-Y194 VanDerWaalsContact C-N 3.28Å; Y194-I196 PolarHBondContact O-N 2.47Å; Y194-L239 WeakPolarHBondContact CA-O 3.28Å; Y194-M240 HydrophobicContact CD1-CE 4.28Å; Y194-M240 HydrophobicContact CD1-CG 4.35Å; Y194-M240 HydrophobicContact CE1-CE 3.61Å
195R90.5Very high81.7Confident40 Ų4077.1 Ų77.115%0.15143%0.428CS..  trans-78.150.6177.9-61-179.959-127.24.4111.7Q197 A198 F199 W237 P238 L239 E241R195-Q197 PolarHBondContact O-N 3Å; R195-A198 HydrophobicContact CB-CB 4.12Å; R195-A198 PolarHBondContact O-N 3.02Å; R195-F199 WeakPolarHBondContact O-CB 3.5Å; R195-F199 PolarHBondContact O-N 3.09Å; R195-W237 HydrophobicContact CB-CH2 3.87Å; R195-W237 HydrophobicContact CB-CZ2 4.18Å; R195-P238 WeakPolarHBondContact CD-O 3.36Å; R195-P238 PolarHBondContact NH1-O 2.88Å; R195-L239 PolarHBondContact N-O 3.14Å; R195-E241 HydrophobicContact CG-CG 3.82Å; R195-E241 VanDerWaalsContact CG-OE1 3.32Å; R195-E241 WeakPolarHBondContact CG-OE1 3.11Å; R195-E241 IonicContact NE-OE1 2.92Å; R195-E241 PolarHBondContact NE-OE1 2.95Å; R195-E241 IonicContact NE-OE2 2.57Å; R195-E241 PolarHBondContact NE-OE2 3.19Å
196I90.2Very high83.3Confident94 Ų9474.2 Ų74.248%0.48241%0.406SS..Hα-helixtrans-59.1-48.9-171.1-60.6174.9000111Y194 A198 F199 I200Y194-I196 PolarHBondContact O-N 2.47Å; I196-A198 PolarHBondContact O-N 2.74Å; I196-F199 WeakPolarHBondContact O-CB 3.46Å; I196-F199 PolarHBondContact O-N 3.26Å; I196-I200 HydrophobicContact CG2-CD1 3.98Å; I196-I200 WeakPolarHBondContact O-CG1 3.34Å; I196-I200 PolarHBondContact O-N 2.88Å
197Q91.6Very high84.8Confident110 Ų11072.1 Ų72.151%0.51440%0.396SS..Hα-helixtrans-64.1-42.5-179.7-170.758.24200111.5R195 F199 I200 D201R195-Q197 PolarHBondContact O-N 3Å; Q197-F199 VanDerWaalsContact C-N 3.31Å; Q197-F199 PolarHBondContact O-N 3.05Å; Q197-I200 PolarHBondContact O-N 2.83Å; Q197-D201 VanDerWaalsContact NE2-CG 3.29Å; Q197-D201 PolarHBondContact NE2-OD1 2.82Å; Q197-D201 PolarHBondContact NE2-OD2 3.2Å; Q197-D201 WeakPolarHBondContact O-CB 3.4Å; Q197-D201 PolarHBondContact O-N 3.4Å
198A92.4Very high86.4Confident18 Ų1876.1 Ų76.115%0.14940%0.396CS..Hα-helixtrans-63-37.8175.100000111.8R195 I196 D201 Q202 W237R195-A198 HydrophobicContact CB-CB 4.12Å; R195-A198 PolarHBondContact O-N 3.02Å; I196-A198 PolarHBondContact O-N 2.74Å; A198-D201 PolarHBondContact O-N 3.4Å; A198-Q202 WeakPolarHBondContact O-CB 3.33Å; A198-Q202 VanDerWaalsContact O-CG 3.29Å; A198-Q202 WeakPolarHBondContact O-CG 3.34Å; A198-Q202 PolarHBondContact O-N 2.86Å; A198-W237 HydrophobicContact CB-CZ2 4.46Å
199F93.4Very high87.8Confident85 Ų8576.4 Ų76.437%0.37340%0.397SS..Hα-helixtrans-62.2-45.9175.5-175.9-105.2000111.4R195 I196 Q197 I203 L204 W237R195-F199 WeakPolarHBondContact O-CB 3.5Å; R195-F199 PolarHBondContact O-N 3.09Å; I196-F199 WeakPolarHBondContact O-CB 3.46Å; I196-F199 PolarHBondContact O-N 3.26Å; Q197-F199 VanDerWaalsContact C-N 3.31Å; Q197-F199 PolarHBondContact O-N 3.05Å; F199-I203 HydrophobicContact CD2-CB 4.18Å; F199-I203 HydrophobicContact CD2-CD1 3.81Å; F199-I203 HydrophobicContact CD2-CG1 4.47Å; F199-I203 HydrophobicContact CE2-CB 4.15Å; F199-I203 HydrophobicContact CE2-CD1 3.91Å; F199-I203 HydrophobicContact CE2-CG2 4.02Å; F199-I203 HydrophobicContact CZ-CG2 4.42Å; F199-I203 WeakPolarHBondContact O-CB 3.37Å; F199-I203 PolarHBondContact O-N 3.28Å; F199-I203 VanDerWaalsContact O-N 3.09Å; F199-L204 HydrophobicContact CE1-CD1 4.31Å; F199-L204 PolarHBondContact O-N 3.2Å; F199-W237 HydrophobicContact CB-CH2 3.61Å; F199-W237 HydrophobicContact CB-CZ2 3.64Å; F199-W237 AromaticContact CD2-CH2 3.83Å; F199-W237 HydrophobicContact CD2-CH2 3.83Å; F199-W237 AromaticContact CD2-CZ2 3.94Å; F199-W237 HydrophobicContact CD2-CZ2 3.94Å; F199-W237 HydrophobicContact CD2-CZ3 4.12Å; F199-W237 HydrophobicContact CG-CH2 4.16Å; F199-W237 HydrophobicContact CG-CZ2 4.31Å
200I94.3Very high89.1Confident51 Ų5179.6 Ų79.626%0.26243%0.425SS..Iπ-helixtrans-60.9-48.3178.3-68.8168.2000110.5I196 Q197 L204 R205I196-I200 HydrophobicContact CG2-CD1 3.98Å; I196-I200 WeakPolarHBondContact O-CG1 3.34Å; I196-I200 PolarHBondContact O-N 2.88Å; Q197-I200 PolarHBondContact O-N 2.83Å; I200-L204 PolarHBondContact O-N 3.16Å; I200-R205 HydrophobicContact CG2-CG 4.27Å; I200-R205 WeakPolarHBondContact O-CB 3.49Å; I200-R205 WeakPolarHBondContact O-CG 3.08Å; I200-R205 PolarHBondContact O-N 3.26Å
201D95Very high90.3Very high63 Ų6383.8 Ų83.834%0.33745%0.448SS..Iπ-helixtrans-79.2-37.1-171.7-69.3-24.6000113.9Q197 A198 R205 P206Q197-D201 VanDerWaalsContact NE2-CG 3.29Å; Q197-D201 PolarHBondContact NE2-OD1 2.82Å; Q197-D201 PolarHBondContact NE2-OD2 3.2Å; Q197-D201 WeakPolarHBondContact O-CB 3.4Å; Q197-D201 PolarHBondContact O-N 3.4Å; A198-D201 PolarHBondContact O-N 3.4Å; D201-R205 IonicContact OD1-CZ 3.5Å; D201-R205 IonicContact OD1-NE 3.82Å; D201-R205 IonicContact OD1-NH1 3.1Å; D201-R205 PolarHBondContact OD1-NH1 3.46Å; D201-R205 IonicContact OD1-NH2 3.28Å; D201-P206 VanDerWaalsContact O-CD 3.27Å; D201-P206 WeakPolarHBondContact O-CD 3.22Å; D201-P206 WeakPolarHBondContact O-CG 3.23Å
202Q93.6Very high91.5Very high102 Ų10283 Ų8348%0.47745%0.448SS..Iπ-helixtrans-96.2-27.4-171.9-57.5174.26.900113A198 Q233A198-Q202 WeakPolarHBondContact O-CB 3.33Å; A198-Q202 VanDerWaalsContact O-CG 3.29Å; A198-Q202 WeakPolarHBondContact O-CG 3.34Å; A198-Q202 PolarHBondContact O-N 2.86Å; Q202-Q233 PolarHBondContact O-NE2 3.03Å
203I93.8Very high92.5Very high10 Ų1082.1 Ų82.15%0.05143%0.43CS..Iπ-helixtrans-114-60-178.3-62.6177.3000110.8F199 P206 S207 T234 W237F199-I203 HydrophobicContact CD2-CB 4.18Å; F199-I203 HydrophobicContact CD2-CD1 3.81Å; F199-I203 HydrophobicContact CD2-CG1 4.47Å; F199-I203 HydrophobicContact CE2-CB 4.15Å; F199-I203 HydrophobicContact CE2-CD1 3.91Å; F199-I203 HydrophobicContact CE2-CG2 4.02Å; F199-I203 HydrophobicContact CZ-CG2 4.42Å; F199-I203 WeakPolarHBondContact O-CB 3.37Å; F199-I203 PolarHBondContact O-N 3.28Å; F199-I203 VanDerWaalsContact O-N 3.09Å; I203-P206 WeakPolarHBondContact O-CD 3.47Å; I203-S207 WeakPolarHBondContact O-CB 2.99Å; I203-S207 PolarHBondContact O-N 2.9Å; I203-S207 PolarHBondContact O-OG 3.14Å; I203-T234 HydrophobicContact CD1-CG2 3.93Å; I203-W237 HydrophobicContact CD1-CB 4.46Å; I203-W237 HydrophobicContact CD1-CD2 3.74Å; I203-W237 HydrophobicContact CD1-CG 3.61Å; I203-W237 HydrophobicContact CD1-CZ2 4.46Å
204L94.7Very high93Very high90 Ų9083.9 Ų83.947%0.47145%0.454SS..Iπ-helixtrans-66-50.7-167.4-168.5155.1000112.4F199 I200 S207 R208F199-L204 HydrophobicContact CE1-CD1 4.31Å; F199-L204 PolarHBondContact O-N 3.2Å; I200-L204 PolarHBondContact O-N 3.16Å; L204-S207 PolarHBondContact O-N 3.43Å; L204-R208 PolarHBondContact O-N 3.32Å
205R94.8Very high93.3Very high147 Ų14791.4 Ų91.456%0.55548%0.482SS*.THydrogen-bonded Turntrans-63.8-47-179.9-73.2174.8-175.4173.6-2112.2I200 D201 S207 R208I200-R205 HydrophobicContact CG2-CG 4.27Å; I200-R205 WeakPolarHBondContact O-CB 3.49Å; I200-R205 WeakPolarHBondContact O-CG 3.08Å; I200-R205 PolarHBondContact O-N 3.26Å; D201-R205 IonicContact OD1-CZ 3.5Å; D201-R205 IonicContact OD1-NE 3.82Å; D201-R205 IonicContact OD1-NH1 3.1Å; D201-R205 PolarHBondContact OD1-NH1 3.46Å; D201-R205 IonicContact OD1-NH2 3.28Å; R205-S207 VanDerWaalsContact C-N 3.32Å; R205-S207 PolarHBondContact O-N 3.15Å; R205-R208 WeakPolarHBondContact O-CG 3.39Å; R205-R208 PolarHBondContact O-N 3.48Å
206P93.9Very high93.4Very high67 Ų6794.5 Ų94.544%0.43550%0.501SS..THydrogen-bonded Turntrans-66.2-30.2176.4-25.738000114.1D201 I203 R208D201-P206 VanDerWaalsContact O-CD 3.27Å; D201-P206 WeakPolarHBondContact O-CD 3.22Å; D201-P206 WeakPolarHBondContact O-CG 3.23Å; I203-P206 WeakPolarHBondContact O-CD 3.47Å; P206-R208 VanDerWaalsContact C-N 3.29Å; P206-R208 PolarHBondContact O-N 2.92Å
207S95.7Very high93.4Very high27 Ų2798.2 Ų98.219%0.18952%0.522CS..THydrogen-bonded Turntrans-84.88.4-179.5-64.20000114.3I203 L204 R205 L209 H229 Q233I203-S207 WeakPolarHBondContact O-CB 2.99Å; I203-S207 PolarHBondContact O-N 2.9Å; I203-S207 PolarHBondContact O-OG 3.14Å; L204-S207 PolarHBondContact O-N 3.43Å; R205-S207 VanDerWaalsContact C-N 3.32Å; R205-S207 PolarHBondContact O-N 3.15Å; S207-L209 PolarHBondContact O-N 2.98Å; S207-H229 PolarHBondContact OG-CD2 3.28Å; S207-H229 VanDerWaalsContact OG-CD2 3.25Å; S207-H229 PolarHBondContact OG-NE2 3.18Å; S207-Q233 PolarHBondContact OG-OE1 3.07Å; S207-Q233 VanDerWaalsContact OG-OE1 3.11Å
208R96Very high93.5Very high203 Ų20396.9 Ų96.977%0.76651%0.513SS*.  trans-61.2125.7179.5-74.3-179.171.2-175.42.8110.6L204 R205 P206L204-R208 PolarHBondContact O-N 3.32Å; R205-R208 WeakPolarHBondContact O-CG 3.39Å; R205-R208 PolarHBondContact O-N 3.48Å; P206-R208 VanDerWaalsContact C-N 3.29Å; P206-R208 PolarHBondContact O-N 2.92Å
209L95.4Very high93.5Very high145 Ų145101.5 Ų101.576%0.75954%0.544SS*.  trans-71.2145.4177.3-58.4179.2000110.9S207 A226S207-L209 PolarHBondContact O-N 2.98Å; L209-A226 HydrophobicContact CD2-CB 3.57Å
210A93.4Very high93.6Very high85 Ų8599.4 Ų99.470%0.70254%0.538SS*.  trans-127.6149.3168.400000109.3A212A210-A212 PolarHBondContact O-N 3.12Å
211P93.4Very high93.5Very high136 Ų136103.9 Ų103.988%0.88356%0.556SS**PPolyproline II helixtrans-57.9125.8173.9-23.634.1000111.1
212A93.3Very high93.5Very high52 Ų52103.2 Ų103.243%0.4356%0.555SS.*PPolyproline II helixtrans-76.4139.9172.800000110A210 A214 Y218 P222A210-A212 PolarHBondContact O-N 3.12Å; A212-A214 PolarHBondContact O-N 3.41Å; A212-Y218 HydrophobicContact CB-CE2 4.25Å; A212-P222 HydrophobicContact CB-CB 3.75Å; A212-P222 HydrophobicContact CB-CG 3.49Å; A212-P222 VanDerWaalsContact CB-CG 3.49Å
213S92.9Very high93.6Very high53 Ų53105.9 Ų105.937%0.37157%0.565SS.*PPolyproline II helixtrans-63126173.91770000110.2R215 L216 Y218S213-R215 PolarHBondContact O-N 3.37Å; S213-R215 PolarHBondContact OG-N 2.9Å; S213-L216 PolarHBondContact O-N 2.77Å; S213-Y218 PolarHBondContact N-OH 3.03Å; S213-Y218 VanDerWaalsContact O-CE2 3.3Å; S213-Y218 WeakPolarHBondContact O-CE2 3.39Å; S213-Y218 PolarHBondContact O-OH 2.46Å
214A89.6Confident93.7Very high108 Ų108109.4 Ų109.489%0.89358%0.581SS**THydrogen-bonded Turntrans-68.6-11.8174.600000113.4A212A212-A214 PolarHBondContact O-N 3.41Å
215R91.3Very high93.6Very high233 Ų233111.2 Ų111.288%0.87958%0.582SS**THydrogen-bonded Turntrans-92-9.7-177.7-61.6-177.5179.6176.3-0.5113.7S213S213-R215 PolarHBondContact O-N 3.37Å; S213-R215 PolarHBondContact OG-N 2.9Å
216L92.1Very high93.7Very high105 Ų105105.5 Ų105.555%0.5557%0.566SS.*SBendtrans-99.1138-177.5-64.7177.1000110.1S213 Y218S213-L216 PolarHBondContact O-N 2.77Å; L216-Y218 HydrophobicContact CB-CE1 4.26Å; L216-Y218 HydrophobicContact CB-CE2 3.96Å; L216-Y218 VanDerWaalsContact O-CD2 3.27Å; L216-Y218 WeakPolarHBondContact O-CD2 2.78Å; L216-Y218 WeakPolarHBondContact O-CE2 3.37Å
217N91.1Very high93.8Very high172 Ų172108 Ų10892%0.9257%0.572SS**  trans-83.4121.7168.7-68.1-30000108.6
218Y92.5Very high93.8Very high83 Ų83110.5 Ų110.533%0.32558%0.581SS.*  trans-104.2134.4176.6-54.8-88.9000109.4A212 S213 L216 V220 P222A212-Y218 HydrophobicContact CB-CE2 4.25Å; S213-Y218 PolarHBondContact N-OH 3.03Å; S213-Y218 VanDerWaalsContact O-CE2 3.3Å; S213-Y218 WeakPolarHBondContact O-CE2 3.39Å; S213-Y218 PolarHBondContact O-OH 2.46Å; L216-Y218 HydrophobicContact CB-CE1 4.26Å; L216-Y218 HydrophobicContact CB-CE2 3.96Å; L216-Y218 VanDerWaalsContact O-CD2 3.27Å; L216-Y218 WeakPolarHBondContact O-CD2 2.78Å; L216-Y218 WeakPolarHBondContact O-CE2 3.37Å; Y218-V220 VanDerWaalsContact CB-O 3.24Å; Y218-V220 WeakPolarHBondContact CB-O 3.12Å; Y218-V220 PolarHBondContact O-N 3.41Å; Y218-P222 HydrophobicContact CD1-CG 4.21Å; Y218-P222 HydrophobicContact CD2-CG 3.87Å; Y218-P222 HydrophobicContact CE1-CG 4.33Å; Y218-P222 HydrophobicContact CE2-CG 4Å; Y218-P222 HydrophobicContact CG-CG 3.99Å
219S94.4Very high93.7Very high114 Ų114104.2 Ų104.280%0.79756%0.56SS**SBendtrans-66.8-23.3173.854.70000113.4
220V93.8Very high93.7Very high42 Ų42100.1 Ų100.126%0.25554%0.541SS..SBendtrans-135.8138.1176.71770000107Y218 E224 R225Y218-V220 VanDerWaalsContact CB-O 3.24Å; Y218-V220 WeakPolarHBondContact CB-O 3.12Å; Y218-V220 PolarHBondContact O-N 3.41Å; V220-E224 HydrophobicContact CG1-CB 3.85Å; V220-R225 HydrophobicContact CG1-CB 4.36Å
221F93.5Very high93.8Very high145 Ų145100 Ų10064%0.63653%0.526SS*.  trans-59136.5-179.3-72.8-70.5000110.7K223 E224 R225F221-K223 PolarHBondContact O-N 2.66Å; F221-K223 VanDerWaalsContact O-N 3.09Å; F221-E224 HydrophobicContact CB-CB 4.42Å; F221-E224 HydrophobicContact CB-CG 4.08Å; F221-E224 WeakPolarHBondContact O-CB 3.21Å; F221-E224 PolarHBondContact O-N 2.9Å; F221-R225 PolarHBondContact O-N 2.97Å
222P94.7Very high93.9Very high48 Ų48101.2 Ų101.231%0.31251%0.513SS..Hα-helixtrans-53-36.6-177.9-30.135.4000114A212 Y218 R225 A226A212-P222 HydrophobicContact CB-CB 3.75Å; A212-P222 HydrophobicContact CB-CG 3.49Å; A212-P222 VanDerWaalsContact CB-CG 3.49Å; Y218-P222 HydrophobicContact CD1-CG 4.21Å; Y218-P222 HydrophobicContact CD2-CG 3.87Å; Y218-P222 HydrophobicContact CE1-CG 4.33Å; Y218-P222 HydrophobicContact CE2-CG 4Å; Y218-P222 HydrophobicContact CG-CG 3.99Å; P222-R225 PolarHBondContact O-N 3Å; P222-A226 WeakPolarHBondContact O-CB 3.19Å; P222-A226 PolarHBondContact O-N 3.02Å
223K94.5Very high93.9Very high158 Ų158101.4 Ų101.469%0.68751%0.505SS*.Hα-helixtrans-61.6-46.3174.6-178.8-176.3175.1-1740112.1F221 A226 Q227F221-K223 PolarHBondContact O-N 2.66Å; F221-K223 VanDerWaalsContact O-N 3.09Å; K223-A226 PolarHBondContact O-N 2.74Å; K223-Q227 WeakPolarHBondContact O-CG 3.43Å; K223-Q227 PolarHBondContact O-N 2.99Å
224E95.8Very high93.9Very high84 Ų84102 Ų10239%0.39351%0.506SS..Hα-helixtrans-67-41.5179.2-65.3172.1170.600110.9V220 F221 A226 Q227 Q228V220-E224 HydrophobicContact CG1-CB 3.85Å; F221-E224 HydrophobicContact CB-CB 4.42Å; F221-E224 HydrophobicContact CB-CG 4.08Å; F221-E224 WeakPolarHBondContact O-CB 3.21Å; F221-E224 PolarHBondContact O-N 2.9Å; E224-A226 VanDerWaalsContact C-N 3.29Å; E224-A226 PolarHBondContact O-N 3.17Å; E224-Q227 PolarHBondContact O-N 2.73Å; E224-Q227 VanDerWaalsContact O-N 3.17Å; E224-Q228 WeakPolarHBondContact O-CG 3.42Å; E224-Q228 PolarHBondContact O-N 2.79Å
225R94.5Very high94Very high128 Ų128105.2 Ų105.248%0.48350%0.495SS..Hα-helixtrans-59.1-41.5174.3-176.9-179.5-73.9-179-3.4111.6V220 F221 P222 Q228 H229V220-R225 HydrophobicContact CG1-CB 4.36Å; F221-R225 PolarHBondContact O-N 2.97Å; P222-R225 PolarHBondContact O-N 3Å; R225-Q228 PolarHBondContact O-N 2.97Å; R225-H229 WeakPolarHBondContact O-CB 3.37Å; R225-H229 PolarHBondContact O-N 2.65Å
226A95.8Very high94Very high28 Ų28101.5 Ų101.523%0.23148%0.482CS..Hα-helixtrans-64.4-41.3175.600000112.1L209 P222 K223 E224 H229 V230L209-A226 HydrophobicContact CD2-CB 3.57Å; P222-A226 WeakPolarHBondContact O-CB 3.19Å; P222-A226 PolarHBondContact O-N 3.02Å; K223-A226 PolarHBondContact O-N 2.74Å; E224-A226 VanDerWaalsContact C-N 3.29Å; E224-A226 PolarHBondContact O-N 3.17Å; A226-H229 WeakPolarHBondContact O-CB 3.34Å; A226-H229 PolarHBondContact O-N 2.95Å; A226-V230 PolarHBondContact O-N 3.19Å; A226-V230 VanDerWaalsContact O-N 3.14Å
227Q96Very high93.9Very high118 Ų11898.7 Ų98.755%0.55146%0.464SS*.Hα-helixtrans-63-43.9174.4-71.5175.1-3500112.1K223 E224 H229 V230 E231K223-Q227 WeakPolarHBondContact O-CG 3.43Å; K223-Q227 PolarHBondContact O-N 2.99Å; E224-Q227 PolarHBondContact O-N 2.73Å; E224-Q227 VanDerWaalsContact O-N 3.17Å; Q227-H229 VanDerWaalsContact C-N 3.3Å; Q227-H229 PolarHBondContact O-N 3.45Å; Q227-V230 PolarHBondContact O-N 3.08Å; Q227-E231 WeakPolarHBondContact O-CB 3.34Å; Q227-E231 PolarHBondContact O-N 3.28Å
228Q95.8Very high93.9Very high80 Ų8091.7 Ų91.737%0.37443%0.428SS..Hα-helixtrans-62.8-35.8175.3-70.6173.65.600112.4E224 R225 R232E224-Q228 WeakPolarHBondContact O-CG 3.42Å; E224-Q228 PolarHBondContact O-N 2.79Å; R225-Q228 PolarHBondContact O-N 2.97Å; Q228-R232 WeakPolarHBondContact O-CB 3.47Å; Q228-R232 VanDerWaalsContact O-CG 3.23Å; Q228-R232 WeakPolarHBondContact O-CG 3.31Å; Q228-R232 PolarHBondContact O-N 2.97Å
229H94.4Very high93.6Very high72 Ų7293 Ų9333%0.33344%0.44SS..Hα-helixtrans-61.4-51.1175.3176.577.7000111S207 R225 A226 Q227 R232 Q233S207-H229 PolarHBondContact OG-CD2 3.28Å; S207-H229 VanDerWaalsContact OG-CD2 3.25Å; S207-H229 PolarHBondContact OG-NE2 3.18Å; R225-H229 WeakPolarHBondContact O-CB 3.37Å; R225-H229 PolarHBondContact O-N 2.65Å; A226-H229 WeakPolarHBondContact O-CB 3.34Å; A226-H229 PolarHBondContact O-N 2.95Å; Q227-H229 VanDerWaalsContact C-N 3.3Å; Q227-H229 PolarHBondContact O-N 3.45Å; H229-R232 PolarHBondContact O-N 3.45Å; H229-Q233 PolarHBondContact CE1-NE2 3.32Å; H229-Q233 VanDerWaalsContact NE2-CD 3.33Å; H229-Q233 PolarHBondContact NE2-NE2 2.87Å; H229-Q233 PolarHBondContact NE2-OE1 3.35Å; H229-Q233 WeakPolarHBondContact O-CG 3.48Å; H229-Q233 PolarHBondContact O-N 2.54Å; H229-Q233 VanDerWaalsContact O-N 3.07Å
230V95.3Very high93.2Very high58 Ų5888.9 Ų88.935%0.35241%0.409SS..Hα-helixtrans-62-45.8177.6177.20000110.8A226 Q227 R232 Q233 T234A226-V230 PolarHBondContact O-N 3.19Å; A226-V230 VanDerWaalsContact O-N 3.14Å; Q227-V230 PolarHBondContact O-N 3.08Å; V230-R232 VanDerWaalsContact C-N 3.35Å; V230-R232 PolarHBondContact O-N 2.7Å; V230-Q233 PolarHBondContact O-N 3.07Å; V230-Q233 VanDerWaalsContact O-N 3.16Å; V230-T234 HydrophobicContact CG1-CG2 4.19Å; V230-T234 WeakPolarHBondContact O-CG2 3.18Å; V230-T234 PolarHBondContact O-N 3.3Å; V230-T234 PolarHBondContact O-OG1 3.27Å
231E95.7Very high92.3Very high84 Ų8492.9 Ų92.939%0.39343%0.425SS..Hα-helixtrans-53.9-48.9177.4-178-83.8150.800111.9Q227 Q233 T234 R235Q227-E231 WeakPolarHBondContact O-CB 3.34Å; Q227-E231 PolarHBondContact O-N 3.28Å; E231-Q233 PolarHBondContact O-N 3.15Å; E231-T234 PolarHBondContact O-N 3.27Å; E231-T234 PolarHBondContact O-OG1 3.27Å; E231-R235 WeakPolarHBondContact O-CG 3.32Å; E231-R235 PolarHBondContact O-N 2.9Å; E231-R235 VanDerWaalsContact O-N 3.12Å; E231-R235 IonicContact OE1-CZ 3.3Å; E231-R235 VanDerWaalsContact OE1-CZ 3.3Å; E231-R235 IonicContact OE1-NE 2.73Å; E231-R235 PolarHBondContact OE1-NE 3.39Å; E231-R235 IonicContact OE1-NH2 3.06Å; E231-R235 PolarHBondContact OE1-NH2 2.57Å; E231-R235 IonicContact OE2-CZ 3.6Å; E231-R235 IonicContact OE2-NE 3.4Å; E231-R235 PolarHBondContact OE2-NE 2.9Å; E231-R235 IonicContact OE2-NH2 2.91Å; E231-R235 PolarHBondContact OE2-NH2 2.9Å
232R95.1Very high91.2Very high161 Ų16190.5 Ų90.561%0.60843%0.426SS*.Hα-helixtrans-64.2-40179-70.5172.1-169.9-177.94112.3Q228 H229 V230 T234Q228-R232 WeakPolarHBondContact O-CB 3.47Å; Q228-R232 VanDerWaalsContact O-CG 3.23Å; Q228-R232 WeakPolarHBondContact O-CG 3.31Å; Q228-R232 PolarHBondContact O-N 2.97Å; H229-R232 PolarHBondContact O-N 3.45Å; V230-R232 VanDerWaalsContact C-N 3.35Å; V230-R232 PolarHBondContact O-N 2.7Å; R232-T234 VanDerWaalsContact C-N 3.27Å; R232-T234 PolarHBondContact O-N 3.15Å
233Q92.7Very high89.7Confident56 Ų5694.3 Ų94.326%0.26244%0.438SS..Hα-helixtrans-69.3-24.9178.8-73.7-168-3200113Q202 S207 H229 V230 E231Q202-Q233 PolarHBondContact O-NE2 3.03Å; S207-Q233 PolarHBondContact OG-OE1 3.07Å; S207-Q233 VanDerWaalsContact OG-OE1 3.11Å; H229-Q233 PolarHBondContact CE1-NE2 3.32Å; H229-Q233 VanDerWaalsContact NE2-CD 3.33Å; H229-Q233 PolarHBondContact NE2-NE2 2.87Å; H229-Q233 PolarHBondContact NE2-OE1 3.35Å; H229-Q233 WeakPolarHBondContact O-CG 3.48Å; H229-Q233 PolarHBondContact O-N 2.54Å; H229-Q233 VanDerWaalsContact O-N 3.07Å; V230-Q233 PolarHBondContact O-N 3.07Å; V230-Q233 VanDerWaalsContact O-N 3.16Å; E231-Q233 PolarHBondContact O-N 3.15Å
234T93.6Very high87.9Confident64 Ų6489.2 Ų89.239%0.39342%0.421SS..Hα-helixtrans-102.2-2.8-177.160.20000114.5I203 V230 E231 R232 Y236I203-T234 HydrophobicContact CD1-CG2 3.93Å; V230-T234 HydrophobicContact CG1-CG2 4.19Å; V230-T234 WeakPolarHBondContact O-CG2 3.18Å; V230-T234 PolarHBondContact O-N 3.3Å; V230-T234 PolarHBondContact O-OG1 3.27Å; E231-T234 PolarHBondContact O-N 3.27Å; E231-T234 PolarHBondContact O-OG1 3.27Å; R232-T234 VanDerWaalsContact C-N 3.27Å; R232-T234 PolarHBondContact O-N 3.15Å; T234-Y236 PolarHBondContact O-N 3.38Å; T234-Y236 VanDerWaalsContact O-N 3.14Å
235R92.4Very high85.8Confident177 Ų17794.8 Ų94.867%0.66844%0.44SS*.THydrogen-bonded Turntrans-51.7-37.9176.5-72.5-171.8-176-175.30.8113.4E231E231-R235 WeakPolarHBondContact O-CG 3.32Å; E231-R235 PolarHBondContact O-N 2.9Å; E231-R235 VanDerWaalsContact O-N 3.12Å; E231-R235 IonicContact OE1-CZ 3.3Å; E231-R235 VanDerWaalsContact OE1-CZ 3.3Å; E231-R235 IonicContact OE1-NE 2.73Å; E231-R235 PolarHBondContact OE1-NE 3.39Å; E231-R235 IonicContact OE1-NH2 3.06Å; E231-R235 PolarHBondContact OE1-NH2 2.57Å; E231-R235 IonicContact OE2-CZ 3.6Å; E231-R235 IonicContact OE2-NE 3.4Å; E231-R235 PolarHBondContact OE2-NE 2.9Å; E231-R235 IonicContact OE2-NH2 2.91Å; E231-R235 PolarHBondContact OE2-NH2 2.9Å
236Y90.4Very high83.3Confident155 Ų15592 Ų9261%0.60845%0.45SS*.THydrogen-bonded Turntrans-137.688.5174-176.1-100.6000109.1T234 P244T234-Y236 PolarHBondContact O-N 3.38Å; T234-Y236 VanDerWaalsContact O-N 3.14Å; Y236-P244 PolarHBondContact OH-O 3.32Å
237W90.5Very high80.6Confident45 Ų4596.3 Ų96.317%0.1747%0.474CS..  trans-136.795.5178.8-16089.5000110.7R195 A198 F199 I203 L239R195-W237 HydrophobicContact CB-CH2 3.87Å; R195-W237 HydrophobicContact CB-CZ2 4.18Å; A198-W237 HydrophobicContact CB-CZ2 4.46Å; F199-W237 HydrophobicContact CB-CH2 3.61Å; F199-W237 HydrophobicContact CB-CZ2 3.64Å; F199-W237 AromaticContact CD2-CH2 3.83Å; F199-W237 HydrophobicContact CD2-CH2 3.83Å; F199-W237 AromaticContact CD2-CZ2 3.94Å; F199-W237 HydrophobicContact CD2-CZ2 3.94Å; F199-W237 HydrophobicContact CD2-CZ3 4.12Å; F199-W237 HydrophobicContact CG-CH2 4.16Å; F199-W237 HydrophobicContact CG-CZ2 4.31Å; I203-W237 HydrophobicContact CD1-CB 4.46Å; I203-W237 HydrophobicContact CD1-CD2 3.74Å; I203-W237 HydrophobicContact CD1-CG 3.61Å; I203-W237 HydrophobicContact CD1-CZ2 4.46Å; W237-L239 HydrophobicContact CE3-CD2 3.84Å; W237-L239 HydrophobicContact CZ3-CB 4.46Å; W237-L239 HydrophobicContact CZ3-CD2 3.58Å; W237-L239 HydrophobicContact CZ3-CG 4.47Å; W237-L239 PolarHBondContact O-N 3.23Å
238P90Very high77.6Confident25 Ų25100.2 Ų100.216%0.16249%0.489CS..  trans-68132.4178.124.9-29.4000110R195 M240 K243R195-P238 WeakPolarHBondContact CD-O 3.36Å; R195-P238 PolarHBondContact NH1-O 2.88Å; P238-M240 VanDerWaalsContact C-N 3.3Å; P238-M240 PolarHBondContact O-N 3.36Å; P238-K243 WeakPolarHBondContact CB-O 3.29Å
239L87.7Confident74.8Confident110 Ų110104.8 Ų104.858%0.57652%0.515SS*.SBendtrans-70.3-27.4-179.5-64.9176.8000113.1Y194 R195 W237Y194-L239 WeakPolarHBondContact CA-O 3.28Å; R195-L239 PolarHBondContact N-O 3.14Å; W237-L239 HydrophobicContact CE3-CD2 3.84Å; W237-L239 HydrophobicContact CZ3-CB 4.46Å; W237-L239 HydrophobicContact CZ3-CD2 3.58Å; W237-L239 HydrophobicContact CZ3-CG 4.47Å; W237-L239 PolarHBondContact O-N 3.23Å
240M85.2Confident72.1Confident29 Ų29110 Ų11014%0.14356%0.56CS.*BIsolated β-bridgetrans-128.4150.6-173.1-62169.2-174.800110.3V189 D193 Y194 P238 S242 K243V189-M240 HydrophobicContact CB-CE 4.3Å; V189-M240 HydrophobicContact CG1-CE 3.47Å; V189-M240 VanDerWaalsContact CG1-CE 3.47Å; V189-M240 HydrophobicContact CG1-SD 4.38Å; V189-M240 HydrophobicContact CG2-CE 3.8Å; D193-M240 VanDerWaalsContact O-CA 3.26Å; D193-M240 WeakPolarHBondContact O-CA 3.48Å; D193-M240 WeakPolarHBondContact O-CB 3.38Å; Y194-M240 HydrophobicContact CD1-CE 4.28Å; Y194-M240 HydrophobicContact CD1-CG 4.35Å; Y194-M240 HydrophobicContact CE1-CE 3.61Å; P238-M240 VanDerWaalsContact C-N 3.3Å; P238-M240 PolarHBondContact O-N 3.36Å; M240-S242 PolarHBondContact O-N 2.99Å; M240-K243 PolarHBondContact O-N 3.32Å
241E75.5Confident71Confident125 Ų125112.7 Ų112.758%0.58457%0.571SS**THydrogen-bonded Turntrans-66.3-19.5176.8-64.5-62.8171.600112.9R195 P244R195-E241 HydrophobicContact CG-CG 3.82Å; R195-E241 VanDerWaalsContact CG-OE1 3.32Å; R195-E241 WeakPolarHBondContact CG-OE1 3.11Å; R195-E241 IonicContact NE-OE1 2.92Å; R195-E241 PolarHBondContact NE-OE1 2.95Å; R195-E241 IonicContact NE-OE2 2.57Å; R195-E241 PolarHBondContact NE-OE2 3.19Å; E241-P244 VanDerWaalsContact O-CD 3.28Å; E241-P244 WeakPolarHBondContact O-CD 3.34Å
242S69.6Low69.7Low95 Ų95114.2 Ų114.266%0.66458%0.58SS**THydrogen-bonded Turntrans-80.6-9-179.160.20000114.9M240 P244M240-S242 PolarHBondContact O-N 2.99Å; S242-P244 WeakPolarHBondContact O-CD 3.46Å
243K63.8Low68.3Low129 Ų129111.6 Ų111.656%0.56158%0.579SS**  trans-117.444.1-179.7-63.4-173.9177.4-179.20115.3P238 M240 Y245P238-K243 WeakPolarHBondContact CB-O 3.29Å; M240-K243 PolarHBondContact O-N 3.32Å; K243-Y245 VanDerWaalsContact C-N 3.27Å; K243-Y245 PolarHBondContact O-N 3.48Å
244P57.1Low66.8Low51 Ų51114.8 Ų114.833%0.33160%0.597SS.*  trans-82.3-1.5-178.333.7-30.2000113.2Y236 E241 S242Y236-P244 PolarHBondContact OH-O 3.32Å; E241-P244 VanDerWaalsContact O-CD 3.28Å; E241-P244 WeakPolarHBondContact O-CD 3.34Å; S242-P244 WeakPolarHBondContact O-CD 3.46Å
245Y50.9Low65.1Low201 Ų201118 Ų11879%0.78861%0.61SS**SBendtrans-125.7123.7176.2-65-78.4000109.3K243 T247K243-Y245 VanDerWaalsContact C-N 3.27Å; K243-Y245 PolarHBondContact O-N 3.48Å; Y245-T247 PolarHBondContact O-N 3.33Å
246G42.5Very low63.3Low68 Ų68114.1 Ų114.170%0.70161%0.606SS**  trans-50.2105-173.200000112.5K248G246-K248 VanDerWaalsContact C-N 3.35Å; G246-K248 PolarHBondContact O-N 3.38Å; G246-K248 VanDerWaalsContact O-N 3.09Å
247T38.1Very low61.4Low120 Ų120111.1 Ų111.174%0.73661%0.606SS**  trans-69.4102.8155.1-10.40000104.9Y245 L249Y245-T247 PolarHBondContact O-N 3.33Å; T247-L249 PolarHBondContact O-N 3Å; T247-L249 VanDerWaalsContact O-N 3.11Å
248K33.5Very low59.2Low199 Ų199116.2 Ų116.287%0.86564%0.639SS**  trans-51.4119.5161.2-76.4-177.4175.7-179.60106.1G246 S250G246-K248 VanDerWaalsContact C-N 3.35Å; G246-K248 PolarHBondContact O-N 3.38Å; G246-K248 VanDerWaalsContact O-N 3.09Å; K248-S250 PolarHBondContact O-N 2.73Å
249L36Very low56.6Low176 Ų176123.8 Ų123.892%0.92168%0.679SS**  trans-56.9110158.6-75.7155.8000105.7T247T247-L249 PolarHBondContact O-N 3Å; T247-L249 VanDerWaalsContact O-N 3.11Å
250S39.2Very low53.8Low183 Ų183125.1 Ų125.1100%1.2869%0.689SS**  trans-69.3015657.70000109.1K248K248-S250 PolarHBondContact O-N 2.73Å

Retrieved 250 of 250 residues in 92 ms (Link to these results)

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