A0A093GSV7_STRCA Loading...

Kelch-like 23

AlphaFold DB , UniProt , Accession A0A093GSV7, Species STRCA (Struthio camelus australis), Gene n/a, Length 558 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.1Very low63.8Low252 Ų252158.2 Ų158.2100%1.24184%0.842SS**  092.10-83.3172.6175.700107.9
2A44.2Very low66Low97 Ų97155.3 Ų155.380%0.80282%0.824SS**  trans-99.6118.2169.500000106.6T4A2-T4 PolarHBondContact O-N 3.2Å
3L48.4Very low68.2Low181 Ų181154.8 Ų154.895%0.94881%0.806SS**  trans-66.2110.4173.8-80147.5000107.8
4T50.7Low69.9Low134 Ų134151 Ų15182%0.82279%0.787SS**  trans-62.7133.8171.841.80000109.9A2 Q6A2-T4 PolarHBondContact O-N 3.2Å; T4-Q6 PolarHBondContact O-N 3.32Å
5G57.1Low71.5Confident76 Ų76145.4 Ų145.478%0.78476%0.759SS**  trans-52.9128.6-173.600000113.6E7G5-E7 PolarHBondContact O-N 3.33Å
6Q58.5Low72.9Confident187 Ų187148 Ų14887%0.87476%0.762SS**  trans-71.7115.4160.2-75.7174.9-56.700106.9T4 D8T4-Q6 PolarHBondContact O-N 3.32Å; Q6-D8 PolarHBondContact O-N 2.93Å
7E65.6Low74.2Confident193 Ų193143 Ų14390%0.90274%0.744SS**  trans-66122.5165.8-72.1-177.4160.600108.2G5G5-E7 PolarHBondContact O-N 3.33Å
8D75.3Confident75.3Confident146 Ų146141.2 Ų141.278%0.78173%0.731SS**  trans-61.4135176.8-72.8-42.4000110.3Q6 V10Q6-D8 PolarHBondContact O-N 2.93Å; D8-V10 PolarHBondContact O-N 2.87Å
9Y82.8Confident76.3Confident201 Ų201138.2 Ų138.279%0.78872%0.721SS**  trans-68.7114176.4174.5-99.1000110.5
10V84.4Confident77.1Confident117 Ų117133.5 Ų133.571%0.70971%0.708SS**  trans-106.4120.8175.6-179.20000109.8D8 I12D8-V10 PolarHBondContact O-N 2.87Å; V10-I12 HydrophobicContact CG1-CG1 4.37Å
11Y89.8Confident77.9Confident156 Ų156131.9 Ų131.961%0.61270%0.699SS**  trans-106.5121.2170.9174.9-109.9000110.3Y13Y11-Y13 HydrophobicContact CE1-CD2 4.32Å
12I90.6Very high80.3Confident123 Ų123123.9 Ų123.963%0.63166%0.661SS**  trans-96.7106.7173.9-57.5176.3000107.9V10V10-I12 HydrophobicContact CG1-CG1 4.37Å
13Y93.8Very high82.7Confident150 Ų150121.9 Ų121.959%0.58864%0.637SS**  trans-74.7127.6172.1175.4-108.3000110.1Y11 D15Y11-Y13 HydrophobicContact CE1-CD2 4.32Å; Y13-D15 HydrophobicContact CE1-CB 3.68Å; Y13-D15 PolarHBondContact OH-OD2 3.32Å
14N92.3Very high84.9Confident101 Ų101117.9 Ų117.954%0.5461%0.613SS.*  trans-119.3114.7174.5-66.8-58.8000109.1F16N14-F16 HydrophobicContact CB-CE2 4.2Å; N14-F16 HydrophobicContact CB-CZ 4.08Å
15D94Very high87Confident67 Ų67113.3 Ų113.336%0.35859%0.589SS.*  trans-91107.8173.4-166.2-28000110.2Y13 S17 H18Y13-D15 HydrophobicContact CE1-CB 3.68Å; Y13-D15 PolarHBondContact OH-OD2 3.32Å; D15-S17 PolarHBondContact OD1-N 2.98Å; D15-S17 PolarHBondContact OD1-OG 3.29Å; D15-S17 VanDerWaalsContact OD1-OG 3.14Å; D15-H18 HydrophobicContact CB-CB 4.05Å; D15-H18 PolarHBondContact OD1-N 3.25Å
16F93.8Very high88.9Confident187 Ų187112.8 Ų112.882%0.8257%0.565SS**SBendtrans-81.5-15.6-179.4-62.7-76.4000113.6N14N14-F16 HydrophobicContact CB-CE2 4.2Å; N14-F16 HydrophobicContact CB-CZ 4.08Å
17S94.8Very high90.6Very high63 Ų63108.3 Ų108.344%0.44154%0.54SS..SBendtrans-85.2-28.5177.379.40000112D15 P19 G20 D21D15-S17 PolarHBondContact OD1-N 2.98Å; D15-S17 PolarHBondContact OD1-OG 3.29Å; D15-S17 VanDerWaalsContact OD1-OG 3.14Å; S17-P19 VanDerWaalsContact C-CD 3.49Å; S17-P19 VanDerWaalsContact O-N 3.17Å; S17-G20 WeakPolarHBondContact O-CA 3.44Å; S17-G20 PolarHBondContact O-N 3.48Å; S17-D21 WeakPolarHBondContact CB-OD2 3.29Å; S17-D21 PolarHBondContact O-N 3.26Å; S17-D21 PolarHBondContact OG-OD2 3.14Å
18H94.6Very high92Very high110 Ų110102 Ų10251%0.50952%0.515SS..Hα-helixtrans-48.2-45.3-175-177.266.8000115.3D15 G20 D21 L22D15-H18 HydrophobicContact CB-CB 4.05Å; D15-H18 PolarHBondContact OD1-N 3.25Å; H18-G20 VanDerWaalsContact C-N 3.32Å; H18-G20 PolarHBondContact O-N 2.89Å; H18-D21 PolarHBondContact O-N 2.96Å; H18-L22 VanDerWaalsContact O-CB 3.3Å; H18-L22 WeakPolarHBondContact O-CB 3.5Å; H18-L22 PolarHBondContact O-N 3.22Å
19P93.3Very high93Very high84 Ų8498.1 Ų98.155%0.54549%0.491SS..Hα-helixtrans-63.1-35.7177.4-22.534.8000113.7S17 L23S17-P19 VanDerWaalsContact C-CD 3.49Å; S17-P19 VanDerWaalsContact O-N 3.17Å; P19-L23 WeakPolarHBondContact O-CB 3.3Å; P19-L23 PolarHBondContact O-N 3.39Å; P19-L23 VanDerWaalsContact O-N 3.12Å
20G93.4Very high93.6Very high45 Ų4590.1 Ų90.146%0.46446%0.46SS..Hα-helixtrans-70.4-45.4177.300000111.7S17 H18 L22 L23 E24S17-G20 WeakPolarHBondContact O-CA 3.44Å; S17-G20 PolarHBondContact O-N 3.48Å; H18-G20 VanDerWaalsContact C-N 3.32Å; H18-G20 PolarHBondContact O-N 2.89Å; G20-L22 VanDerWaalsContact C-N 3.32Å; G20-L22 PolarHBondContact O-N 3.41Å; G20-L23 PolarHBondContact O-N 2.94Å; G20-E24 PolarHBondContact O-N 3.02Å
21D94.3Very high94Very high99 Ų9990.4 Ų90.453%0.52946%0.457SS..Hα-helixtrans-62.5-40.2177.6-61.6-34.8000111.4S17 H18 E24 A25S17-D21 WeakPolarHBondContact CB-OD2 3.29Å; S17-D21 PolarHBondContact O-N 3.26Å; S17-D21 PolarHBondContact OG-OD2 3.14Å; H18-D21 PolarHBondContact O-N 2.96Å; D21-E24 PolarHBondContact O-N 2.96Å; D21-A25 PolarHBondContact O-N 3.44Å
22L94.7Very high94.3Very high84 Ų8488.1 Ų88.144%0.4446%0.455SS..Hα-helixtrans-63.3-44.9175.4-177.866.5000112H18 G20 A25 F26H18-L22 VanDerWaalsContact O-CB 3.3Å; H18-L22 WeakPolarHBondContact O-CB 3.5Å; H18-L22 PolarHBondContact O-N 3.22Å; G20-L22 VanDerWaalsContact C-N 3.32Å; G20-L22 PolarHBondContact O-N 3.41Å; L22-A25 PolarHBondContact O-N 2.91Å; L22-F26 HydrophobicContact CD1-CD2 4.13Å; L22-F26 HydrophobicContact CD1-CE2 3.77Å; L22-F26 HydrophobicContact CG-CD2 4.11Å; L22-F26 HydrophobicContact CG-CE2 4.05Å; L22-F26 WeakPolarHBondContact O-CD2 3.47Å; L22-F26 PolarHBondContact O-N 3.08Å; L22-F26 VanDerWaalsContact O-N 3.08Å
23L95.1Very high94.3Very high55 Ų5583.9 Ų83.929%0.28844%0.442SS..Hα-helixtrans-65.1-42.7179.5-175.562000111.2P19 G20 A25 F26 R27 Y96 A98P19-L23 WeakPolarHBondContact O-CB 3.3Å; P19-L23 PolarHBondContact O-N 3.39Å; P19-L23 VanDerWaalsContact O-N 3.12Å; G20-L23 PolarHBondContact O-N 2.94Å; L23-A25 VanDerWaalsContact C-N 3.32Å; L23-A25 PolarHBondContact O-N 3.5Å; L23-F26 PolarHBondContact O-N 3.41Å; L23-R27 WeakPolarHBondContact O-CB 3.34Å; L23-R27 PolarHBondContact O-N 2.93Å; L23-Y96 WeakPolarHBondContact CD1-O 3.45Å; L23-Y96 WeakPolarHBondContact CG-O 3.34Å; L23-A98 HydrophobicContact CD2-CB 3.93Å
24E94.6Very high94.2Very high98 Ų9880.5 Ų80.546%0.45843%0.434SS..Hα-helixtrans-63.8-38.4176.9-168.964.4-167.900111.3G20 D21 R27 T28G20-E24 PolarHBondContact O-N 3.02Å; D21-E24 PolarHBondContact O-N 2.96Å; E24-R27 WeakPolarHBondContact O-CB 3.39Å; E24-R27 PolarHBondContact O-N 3.09Å; E24-R27 IonicContact OE1-NH1 3.4Å; E24-R27 PolarHBondContact OE1-NH1 3.21Å; E24-R27 WeakPolarHBondContact OE2-CD 3.48Å; E24-R27 IonicContact OE2-NH1 3.13Å; E24-R27 PolarHBondContact OE2-NH1 2.93Å; E24-R27 VanDerWaalsContact OE2-NH1 3.13Å; E24-T28 PolarHBondContact O-N 3.37Å; E24-T28 PolarHBondContact O-OG1 3.01Å; E24-T28 VanDerWaalsContact O-OG1 3.09Å
25A95.4Very high94.3Very high37 Ų3783 Ų8331%0.30644%0.44SS..Hα-helixtrans-61.3-45.6173.200000112.5D21 L22 L23 R27 T28 F29D21-A25 PolarHBondContact O-N 3.44Å; L22-A25 PolarHBondContact O-N 2.91Å; L23-A25 VanDerWaalsContact C-N 3.32Å; L23-A25 PolarHBondContact O-N 3.5Å; A25-R27 VanDerWaalsContact C-N 3.28Å; A25-R27 PolarHBondContact O-N 2.92Å; A25-T28 WeakPolarHBondContact O-CB 3.41Å; A25-T28 PolarHBondContact O-N 3.22Å; A25-F29 VanDerWaalsContact O-CG 3.29Å; A25-F29 WeakPolarHBondContact O-CG 3.42Å; A25-F29 PolarHBondContact O-N 2.89Å
26F95.2Very high94.2Very high65 Ų6581.8 Ų81.829%0.28544%0.435SS..Hα-helixtrans-64.6-33.1175.4-86.5-67.6000112.9L22 L23 F29 Y30 V54 Y96L22-F26 HydrophobicContact CD1-CD2 4.13Å; L22-F26 HydrophobicContact CD1-CE2 3.77Å; L22-F26 HydrophobicContact CG-CD2 4.11Å; L22-F26 HydrophobicContact CG-CE2 4.05Å; L22-F26 WeakPolarHBondContact O-CD2 3.47Å; L22-F26 PolarHBondContact O-N 3.08Å; L22-F26 VanDerWaalsContact O-N 3.08Å; L23-F26 PolarHBondContact O-N 3.41Å; F26-F29 HydrophobicContact CD1-CD2 4.11Å; F26-F29 HydrophobicContact CE1-CD2 4.48Å; F26-F29 PolarHBondContact O-N 3.25Å; F26-Y30 WeakPolarHBondContact O-CB 3.36Å; F26-Y30 PolarHBondContact O-N 3.46Å; F26-V54 HydrophobicContact CD1-CG2 3.88Å; F26-V54 HydrophobicContact CE1-CG2 4.23Å; F26-V54 HydrophobicContact CG-CG2 4.16Å; F26-Y96 HydrophobicContact CB-CD1 4.19Å; F26-Y96 HydrophobicContact CB-CE1 4.45Å
27R94.9Very high94.1Very high94 Ų9476.5 Ų76.536%0.35542%0.415SS..Hα-helixtrans-64-44.1172.7-174.4-172.8177-164.6-0.5111.3L23 E24 A25 Y30 L31L23-R27 WeakPolarHBondContact O-CB 3.34Å; L23-R27 PolarHBondContact O-N 2.93Å; E24-R27 WeakPolarHBondContact O-CB 3.39Å; E24-R27 PolarHBondContact O-N 3.09Å; E24-R27 IonicContact OE1-NH1 3.4Å; E24-R27 PolarHBondContact OE1-NH1 3.21Å; E24-R27 WeakPolarHBondContact OE2-CD 3.48Å; E24-R27 IonicContact OE2-NH1 3.13Å; E24-R27 PolarHBondContact OE2-NH1 2.93Å; E24-R27 VanDerWaalsContact OE2-NH1 3.13Å; A25-R27 VanDerWaalsContact C-N 3.28Å; A25-R27 PolarHBondContact O-N 2.92Å; R27-Y30 WeakPolarHBondContact O-CB 3.47Å; R27-Y30 PolarHBondContact O-N 3.41Å; R27-L31 HydrophobicContact CG-CD1 4.36Å; R27-L31 WeakPolarHBondContact O-CG 3.46Å; R27-L31 PolarHBondContact O-N 2.97Å
28T95.7Very high94Very high60 Ų6073.7 Ų73.737%0.36840%0.395SS..Hα-helixtrans-59.8-46.7173.5-51.80000111E24 A25 Y30 L31 D32E24-T28 PolarHBondContact O-N 3.37Å; E24-T28 PolarHBondContact O-OG1 3.01Å; E24-T28 VanDerWaalsContact O-OG1 3.09Å; A25-T28 WeakPolarHBondContact O-CB 3.41Å; A25-T28 PolarHBondContact O-N 3.22Å; T28-Y30 VanDerWaalsContact C-N 3.28Å; T28-Y30 PolarHBondContact O-N 3.49Å; T28-L31 PolarHBondContact O-N 2.98Å; T28-D32 WeakPolarHBondContact O-CB 3.49Å; T28-D32 PolarHBondContact O-N 3.23Å
29F96.1Very high93.9Very high65 Ų6569.7 Ų69.729%0.28538%0.379SS..Hα-helixtrans-59.9-39.3177.2-59.9-21.9000112.7A25 F26 G33 L34 F35A25-F29 VanDerWaalsContact O-CG 3.29Å; A25-F29 WeakPolarHBondContact O-CG 3.42Å; A25-F29 PolarHBondContact O-N 2.89Å; F26-F29 HydrophobicContact CD1-CD2 4.11Å; F26-F29 HydrophobicContact CE1-CD2 4.48Å; F26-F29 PolarHBondContact O-N 3.25Å; F29-G33 CarbonylContact O-C 3.58Å; F29-G33 PolarHBondContact O-N 3.13Å; F29-L34 HydrophobicContact CB-CB 4.27Å; F29-L34 HydrophobicContact CD1-CB 4.43Å; F29-L34 HydrophobicContact CD1-CD1 4.2Å; F29-L34 PolarHBondContact O-N 3.28Å; F29-F35 HydrophobicContact CB-CD2 4.5Å; F29-F35 HydrophobicContact CD1-CD2 4.3Å; F29-F35 HydrophobicContact CD1-CE2 4.22Å; F29-F35 HydrophobicContact CD2-CD2 4.01Å; F29-F35 HydrophobicContact CD2-CE2 4.44Å; F29-F35 HydrophobicContact CE1-CE2 4.14Å; F29-F35 HydrophobicContact CE2-CD2 4.29Å; F29-F35 HydrophobicContact CE2-CE2 4.35Å; F29-F35 HydrophobicContact CG-CD2 4.02Å; F29-F35 HydrophobicContact CG-CE2 4.38Å; F29-F35 HydrophobicContact CZ-CE2 4.21Å
30Y94.6Very high93.9Very high33 Ų3365.7 Ų65.713%0.12935%0.353CS..Hα-helixtrans-63-47.5175.4171.5-113.4000112.4F26 R27 T28 D32 G33 H49 V92 Y96F26-Y30 WeakPolarHBondContact O-CB 3.36Å; F26-Y30 PolarHBondContact O-N 3.46Å; R27-Y30 WeakPolarHBondContact O-CB 3.47Å; R27-Y30 PolarHBondContact O-N 3.41Å; T28-Y30 VanDerWaalsContact C-N 3.28Å; T28-Y30 PolarHBondContact O-N 3.49Å; Y30-D32 VanDerWaalsContact C-N 3.34Å; Y30-D32 PolarHBondContact O-N 3.5Å; Y30-G33 PolarHBondContact O-N 3.4Å; Y30-H49 WeakPolarHBondContact CD2-O 3.35Å; Y30-H49 WeakPolarHBondContact CE2-O 3.43Å; Y30-V92 HydrophobicContact CE1-CG1 4.47Å; Y30-V92 HydrophobicContact CE2-CG1 3.89Å; Y30-V92 WeakPolarHBondContact OH-CG1 3.44Å; Y30-Y96 AromaticContact CD1-CD2 3.8Å; Y30-Y96 HydrophobicContact CD1-CD2 3.8Å; Y30-Y96 HydrophobicContact CD1-CE2 4.14Å; Y30-Y96 HydrophobicContact CD1-CG 4.15Å; Y30-Y96 HydrophobicContact CD2-CD2 4.03Å; Y30-Y96 HydrophobicContact CD2-CE1 4.46Å; Y30-Y96 AromaticContact CD2-CE2 3.49Å; Y30-Y96 HydrophobicContact CD2-CE2 3.49Å; Y30-Y96 VanDerWaalsContact CD2-CE2 3.49Å; Y30-Y96 AromaticContact CD2-CZ 3.74Å; Y30-Y96 HydrophobicContact CE1-CD2 4.2Å; Y30-Y96 HydrophobicContact CE1-CE2 4.5Å; Y30-Y96 HydrophobicContact CE2-CD2 4.41Å; Y30-Y96 AromaticContact CE2-CE2 3.91Å; Y30-Y96 HydrophobicContact CE2-CE2 3.91Å; Y30-Y96 HydrophobicContact CG-CD1 4.27Å; Y30-Y96 AromaticContact CG-CD2 3.71Å; Y30-Y96 HydrophobicContact CG-CD2 3.71Å; Y30-Y96 HydrophobicContact CG-CE1 4.18Å; Y30-Y96 AromaticContact CG-CE2 3.61Å; Y30-Y96 HydrophobicContact CG-CE2 3.61Å; Y30-Y96 HydrophobicContact CG-CG 4.05Å; Y30-Y96 AromaticContact CG-CZ 3.86Å
31L93.8Very high93.7Very high123 Ų12365.2 Ų65.264%0.64434%0.338SS*.Hα-helixtrans-64.8-38.3179.4-68.7172.9000112.4R27 T28 G33R27-L31 HydrophobicContact CG-CD1 4.36Å; R27-L31 WeakPolarHBondContact O-CG 3.46Å; R27-L31 PolarHBondContact O-N 2.97Å; T28-L31 PolarHBondContact O-N 2.98Å; L31-G33 VanDerWaalsContact C-N 3.3Å
32D94.8Very high93.3Very high107 Ų10760.8 Ų60.857%0.57232%0.315SS*.Hα-helixtrans-83.4-5.9179.4-65.6-17.9000112.9T28 Y30 L34T28-D32 WeakPolarHBondContact O-CB 3.49Å; T28-D32 PolarHBondContact O-N 3.23Å; Y30-D32 VanDerWaalsContact C-N 3.34Å; Y30-D32 PolarHBondContact O-N 3.5Å; D32-L34 HydrophobicContact CB-CD1 3.94Å; D32-L34 HydrophobicContact CB-CG 3.81Å; D32-L34 PolarHBondContact O-N 2.95Å
33G92.1Very high92.6Very high35 Ų3560.3 Ų60.336%0.36132%0.324SS..THydrogen-bonded Turntrans68.216.8-176.700000114.6F29 Y30 L31 T36F29-G33 CarbonylContact O-C 3.58Å; F29-G33 PolarHBondContact O-N 3.13Å; Y30-G33 PolarHBondContact O-N 3.4Å; L31-G33 VanDerWaalsContact C-N 3.3Å; G33-T36 PolarHBondContact O-OG1 2.98Å
34L92.1Very high92Very high78 Ų7861.1 Ų61.141%0.40833%0.334SS..THydrogen-bonded Turntrans-75.1143-179.4-62.6174.7000110.8F29 D32 T36 H51F29-L34 HydrophobicContact CB-CB 4.27Å; F29-L34 HydrophobicContact CD1-CB 4.43Å; F29-L34 HydrophobicContact CD1-CD1 4.2Å; F29-L34 PolarHBondContact O-N 3.28Å; D32-L34 HydrophobicContact CB-CD1 3.94Å; D32-L34 HydrophobicContact CB-CG 3.81Å; D32-L34 PolarHBondContact O-N 2.95Å; L34-T36 PolarHBondContact O-N 3.45Å; L34-H51 PolarHBondContact O-CE1 3.26Å; L34-H51 PolarHBondContact O-NE2 2.86Å
35F92.8Very high91.5Very high154 Ų15458.2 Ų58.268%0.67533%0.331SS*.THydrogen-bonded Turntrans56.514.3174.9-45.5-62.7000116.3F29 D37 H51F29-F35 HydrophobicContact CB-CD2 4.5Å; F29-F35 HydrophobicContact CD1-CD2 4.3Å; F29-F35 HydrophobicContact CD1-CE2 4.22Å; F29-F35 HydrophobicContact CD2-CD2 4.01Å; F29-F35 HydrophobicContact CD2-CE2 4.44Å; F29-F35 HydrophobicContact CE1-CE2 4.14Å; F29-F35 HydrophobicContact CE2-CD2 4.29Å; F29-F35 HydrophobicContact CE2-CE2 4.35Å; F29-F35 HydrophobicContact CG-CD2 4.02Å; F29-F35 HydrophobicContact CG-CE2 4.38Å; F29-F35 HydrophobicContact CZ-CE2 4.21Å; F35-D37 PolarHBondContact O-N 3.08Å; F35-H51 PolarHBondContact O-CD2 2.98Å; F35-H51 VanDerWaalsContact O-CD2 3.23Å
36T91.8Very high91.2Very high42 Ų4259.4 Ų59.426%0.25833%0.334SS..  trans-69.6131.1178.260.70000111.3G33 L34 H49 C50G33-T36 PolarHBondContact O-OG1 2.98Å; L34-T36 PolarHBondContact O-N 3.45Å; T36-H49 HydrophobicContact CG2-CB 3.98Å; T36-C50 WeakPolarHBondContact CA-O 3.43Å; T36-C50 WeakPolarHBondContact CB-O 3.42Å
37D92.1Very high91Very high75 Ų7559.9 Ų59.940%0.40134%0.339SS..  trans-123.63.3-17265.3-12.2000112.8F35 C50 H51 R52F35-D37 PolarHBondContact O-N 3.08Å; D37-C50 PolarHBondContact N-O 3.43Å; D37-C50 VanDerWaalsContact N-O 3.08Å; D37-H51 VanDerWaalsContact OD1-CA 3.29Å; D37-H51 WeakPolarHBondContact OD1-CA 3.35Å; D37-R52 PolarHBondContact O-NE 2.86Å; D37-R52 WeakPolarHBondContact OD1-CG 3.21Å; D37-R52 PolarHBondContact OD1-N 3.1Å; D37-R52 WeakPolarHBondContact OD2-CB 3.22Å; D37-R52 WeakPolarHBondContact OD2-CD 3.42Å; D37-R52 WeakPolarHBondContact OD2-CG 3.45Å
38I92.9Very high90.9Very high4 Ų456.2 Ų56.22%0.02133%0.325CS..EExtended strand (participates in β ladder)trans-150.9148.1176.6-162.8163.3000112.6C50 R52 L55 F66 I78I38-C50 HydrophobicContact CG2-CB 3.98Å; I38-C50 WeakPolarHBondContact CG2-O 3.36Å; I38-C50 PolarHBondContact N-O 3.33Å; I38-C50 PolarHBondContact O-N 3.39Å; I38-R52 HydrophobicContact CB-CG 3.9Å; I38-R52 HydrophobicContact CD1-CG 4.02Å; I38-R52 HydrophobicContact CG2-CG 3.91Å; I38-L55 HydrophobicContact CG2-CD1 4.17Å; I38-F66 HydrophobicContact CD1-CD1 4.26Å; I38-F66 HydrophobicContact CD1-CE1 3.29Å; I38-F66 HydrophobicContact CD1-CE2 4.45Å; I38-F66 HydrophobicContact CD1-CZ 3.42Å; I38-F66 VanDerWaalsContact CD1-CZ 3.42Å; I38-I78 HydrophobicContact CD1-CD1 3.32Å; I38-I78 HydrophobicContact CD1-CG1 4.19Å; I38-I78 HydrophobicContact CG1-CD1 4.17Å
39T92.8Very high90.8Very high27 Ų2758 Ų5817%0.16633%0.329CS..EExtended strand (participates in β ladder)trans-117.7129.4171.557.80000111.7I47 F48 H49 K76 Q77 I78T39-I47 HydrophobicContact CG2-CG2 4.15Å; T39-F48 CarbonylContact C-O 3.53Å; T39-F48 VanDerWaalsContact CA-O 3.25Å; T39-F48 WeakPolarHBondContact CA-O 3.43Å; T39-H49 VanDerWaalsContact CG2-ND1 3.35Å; T39-H49 WeakPolarHBondContact CG2-ND1 3.4Å; T39-K76 PolarHBondContact N-O 3.37Å; T39-K76 PolarHBondContact OG1-O 2.89Å; T39-K76 VanDerWaalsContact OG1-O 3.1Å; T39-Q77 CarbonylContact O-C 3.56Å; T39-Q77 WeakPolarHBondContact O-CA 3.46Å; T39-Q77 WeakPolarHBondContact OG1-CA 3.25Å; T39-Q77 WeakPolarHBondContact OG1-CB 3.31Å; T39-Q77 WeakPolarHBondContact OG1-CG 3.32Å; T39-I78 PolarHBondContact O-N 3.2Å
40L92.3Very high90.8Very high0 Ų054.9 Ų54.90%032%0.316CS..EExtended strand (participates in β ladder)trans-99.1128.7172-57.3-177.7000109I47 F48 L55 F62 I78 L88 V92L40-I47 CarbonylContact O-C 3.55Å; L40-I47 VanDerWaalsContact O-CA 3.32Å; L40-I47 WeakPolarHBondContact O-CA 3.29Å; L40-F48 HydrophobicContact CB-CB 4.39Å; L40-F48 PolarHBondContact N-O 2.71Å; L40-F48 PolarHBondContact O-N 2.74Å; L40-L55 HydrophobicContact CD1-CD1 3.88Å; L40-L55 HydrophobicContact CD2-CD1 4.46Å; L40-L55 HydrophobicContact CG-CD1 4.32Å; L40-F62 HydrophobicContact CD1-CZ 4.02Å; L40-F62 HydrophobicContact CD2-CE1 4.03Å; L40-F62 HydrophobicContact CD2-CZ 4.32Å; L40-I78 HydrophobicContact CD2-CB 4.09Å; L40-I78 HydrophobicContact CD2-CD1 4.25Å; L40-L88 HydrophobicContact CB-CD2 4.25Å; L40-L88 HydrophobicContact CD1-CD1 4.47Å; L40-V92 HydrophobicContact CD1-CG2 4.1Å
41Q90.3Very high90.8Very high34 Ų3453.8 Ų53.816%0.15931%0.312CS..EExtended strand (participates in β ladder)trans-115122.5178.6-176175.237.700110.6V46 I47 Q77 I78 R79 L80Q41-V46 WeakPolarHBondContact CA-O 3.38Å; Q41-I47 HydrophobicContact CG-CG1 4.36Å; Q41-Q77 HydrophobicContact CB-CG 4.44Å; Q41-I78 PolarHBondContact N-O 3.12Å; Q41-R79 HydrophobicContact CB-CG 4.24Å; Q41-L80 PolarHBondContact O-N 3.46Å
42C86.3Confident90.8Very high6 Ų650 Ų504%0.04129%0.288CS..EExtended strand (participates in β ladder)trans-75.2164173.4-75.80000112.4S44 G45 V46 H85 L88C42-S44 PolarHBondContact O-N 3.3Å; C42-G45 PolarHBondContact O-N 3.48Å; C42-V46 HydrophobicContact CB-CB 4.5Å; C42-V46 PolarHBondContact N-O 3.11Å; C42-H85 HydrophobicContact CB-CB 4.43Å; C42-L88 WeakPolarHBondContact SG-CD2 3.45Å
43A78.9Confident90.7Very high75 Ų7548.2 Ų48.262%0.6229%0.289SS*.THydrogen-bonded Turntrans-58.6-30.7170.400000113G45A43-G45 PolarHBondContact O-N 3.34Å
44S83.4Confident90.8Very high71 Ų7147.2 Ų47.250%0.49728%0.276SS..THydrogen-bonded Turntrans-74.6-4.9175.160.60000114.3C42 V46C42-S44 PolarHBondContact O-N 3.3Å; S44-V46 VanDerWaalsContact C-N 3.35Å
45G83Confident90.9Very high38 Ų3843.5 Ų43.539%0.39226%0.256SS..  trans87.3-5.7-178.400000115.2C42 A43C42-G45 PolarHBondContact O-N 3.48Å; A43-G45 PolarHBondContact O-N 3.34Å
46V88.7Confident91Very high62 Ų6237.2 Ų37.238%0.37623%0.233SC..  trans-62.8137.2173.4179.90000110.2Q41 C42 S44 F48 H85Q41-V46 WeakPolarHBondContact CA-O 3.38Å; C42-V46 HydrophobicContact CB-CB 4.5Å; C42-V46 PolarHBondContact N-O 3.11Å; S44-V46 VanDerWaalsContact C-N 3.35Å; V46-F48 HydrophobicContact CB-CE2 4.41Å; V46-F48 HydrophobicContact CG1-CD2 4.48Å; V46-F48 HydrophobicContact CG1-CE1 4.41Å; V46-F48 HydrophobicContact CG1-CE2 3.76Å; V46-F48 HydrophobicContact CG1-CZ 3.73Å; V46-H85 HydrophobicContact CB-CB 4.44Å; V46-H85 HydrophobicContact CG2-CB 4.29Å
47I91.5Very high91.1Very high75 Ų7539.3 Ų39.339%0.38526%0.255SS..EExtended strand (participates in β ladder)trans-117.1133.3-176.3-57.3175.6000109.6T39 L40 Q41T39-I47 HydrophobicContact CG2-CG2 4.15Å; L40-I47 CarbonylContact O-C 3.55Å; L40-I47 VanDerWaalsContact O-CA 3.32Å; L40-I47 WeakPolarHBondContact O-CA 3.29Å; Q41-I47 HydrophobicContact CG-CG1 4.36Å
48F93.4Very high91.2Very high16 Ų1637.9 Ų37.97%0.0725%0.25CC..EExtended strand (participates in β ladder)trans-114.5125.4173.9-57.9-89.8000109.6T39 L40 V46 L88 E89T39-F48 CarbonylContact C-O 3.53Å; T39-F48 VanDerWaalsContact CA-O 3.25Å; T39-F48 WeakPolarHBondContact CA-O 3.43Å; L40-F48 HydrophobicContact CB-CB 4.39Å; L40-F48 PolarHBondContact N-O 2.71Å; L40-F48 PolarHBondContact O-N 2.74Å; V46-F48 HydrophobicContact CB-CE2 4.41Å; V46-F48 HydrophobicContact CG1-CD2 4.48Å; V46-F48 HydrophobicContact CG1-CE1 4.41Å; V46-F48 HydrophobicContact CG1-CE2 3.76Å; V46-F48 HydrophobicContact CG1-CZ 3.73Å; F48-L88 HydrophobicContact CD2-CD2 4Å; F48-L88 HydrophobicContact CE2-CD2 4.04Å; F48-L88 HydrophobicContact CE2-CG 4.43Å; F48-E89 HydrophobicContact CE1-CB 3.81Å; F48-E89 HydrophobicContact CE1-CG 4.02Å; F48-E89 HydrophobicContact CZ-CB 3.8Å; F48-E89 HydrophobicContact CZ-CG 4.46Å
49H94.2Very high91.3Very high98 Ų9837.8 Ų37.845%0.45425%0.249SC..EExtended strand (participates in β ladder)trans-90.7114.1175.3-65.6-92.8000108.9Y30 T36 T39Y30-H49 WeakPolarHBondContact CD2-O 3.35Å; Y30-H49 WeakPolarHBondContact CE2-O 3.43Å; T36-H49 HydrophobicContact CG2-CB 3.98Å; T39-H49 VanDerWaalsContact CG2-ND1 3.35Å; T39-H49 WeakPolarHBondContact CG2-ND1 3.4Å
50C95.3Very high91.4Very high0 Ų040.5 Ų40.50%026%0.263CS..EExtended strand (participates in β ladder)trans-130.1172.3-169-61.60000112T36 D37 I38 L55T36-C50 WeakPolarHBondContact CA-O 3.43Å; T36-C50 WeakPolarHBondContact CB-O 3.42Å; D37-C50 PolarHBondContact N-O 3.43Å; D37-C50 VanDerWaalsContact N-O 3.08Å; I38-C50 HydrophobicContact CG2-CB 3.98Å; I38-C50 WeakPolarHBondContact CG2-O 3.36Å; I38-C50 PolarHBondContact N-O 3.33Å; I38-C50 PolarHBondContact O-N 3.39Å; C50-L55 HydrophobicContact CB-CD1 3.71Å; C50-L55 HydrophobicContact CB-CG 4.25Å
51H94.8Very high91.4Very high10 Ų1044.1 Ų44.15%0.04628%0.277CS..  trans-102.9126.6172.1-5589.1000110.2L34 F35 D37 A53 V54 L55 Y96L34-H51 PolarHBondContact O-CE1 3.26Å; L34-H51 PolarHBondContact O-NE2 2.86Å; F35-H51 PolarHBondContact O-CD2 2.98Å; F35-H51 VanDerWaalsContact O-CD2 3.23Å; D37-H51 VanDerWaalsContact OD1-CA 3.29Å; D37-H51 WeakPolarHBondContact OD1-CA 3.35Å; H51-A53 VanDerWaalsContact C-N 3.26Å; H51-A53 PolarHBondContact O-N 3.2Å; H51-V54 HydrophobicContact CB-CB 4.16Å; H51-V54 HydrophobicContact CB-CG2 3.88Å; H51-V54 PolarHBondContact O-N 2.94Å; H51-L55 PolarHBondContact O-N 2.89Å; H51-L55 VanDerWaalsContact O-N 3.11Å; H51-Y96 PolarHBondContact N-OH 3.07Å; H51-Y96 AromaticContact ND1-CE1 3.56Å; H51-Y96 AromaticContact ND1-CZ 3.67Å; H51-Y96 PolarHBondContact ND1-OH 2.87Å
52R92.8Very high91.5Very high42 Ų4242.6 Ų42.616%0.15827%0.27CS..Hα-helixtrans-56.4-42.7175.8-73.5174.3-172.7-93.1-2.4111.9D37 I38 V54 L55 A56 F66 K75D37-R52 PolarHBondContact O-NE 2.86Å; D37-R52 WeakPolarHBondContact OD1-CG 3.21Å; D37-R52 PolarHBondContact OD1-N 3.1Å; D37-R52 WeakPolarHBondContact OD2-CB 3.22Å; D37-R52 WeakPolarHBondContact OD2-CD 3.42Å; D37-R52 WeakPolarHBondContact OD2-CG 3.45Å; I38-R52 HydrophobicContact CB-CG 3.9Å; I38-R52 HydrophobicContact CD1-CG 4.02Å; I38-R52 HydrophobicContact CG2-CG 3.91Å; R52-V54 PolarHBondContact O-N 3.5Å; R52-L55 PolarHBondContact O-N 3.44Å; R52-A56 WeakPolarHBondContact O-CB 3.46Å; R52-A56 PolarHBondContact O-N 3.16Å; R52-F66 HydrophobicContact CB-CD2 3.69Å; R52-F66 HydrophobicContact CB-CE2 3.78Å; R52-F66 HydrophobicContact CB-CG 4.43Å; R52-F66 HydrophobicContact CG-CD2 3.91Å; R52-F66 HydrophobicContact CG-CE2 3.84Å; R52-F66 HydrophobicContact CG-CG 4.3Å; R52-F66 HydrophobicContact CG-CZ 4.16Å; R52-F66 VanDerWaalsContact NH1-CD1 3.35Å; R52-F66 WeakPolarHBondContact O-CE2 3.22Å; R52-K75 PolarHBondContact NH2-O 2.89Å
53A93Very high91.8Very high70 Ų7047.6 Ų47.658%0.57929%0.291SS*.Hα-helixtrans-60-46-178.500000111.7H51 A57H51-A53 VanDerWaalsContact C-N 3.26Å; H51-A53 PolarHBondContact O-N 3.2Å; A53-A57 WeakPolarHBondContact O-CB 3.37Å; A53-A57 PolarHBondContact O-N 3.43Å
54V95Very high92.3Very high15 Ų1546.1 Ų46.19%0.09128%0.279CS..Hα-helixtrans-66.3-47.9179.4178.50000110.7F26 H51 R52 A56 A57 C58 A95 Y96F26-V54 HydrophobicContact CD1-CG2 3.88Å; F26-V54 HydrophobicContact CE1-CG2 4.23Å; F26-V54 HydrophobicContact CG-CG2 4.16Å; H51-V54 HydrophobicContact CB-CB 4.16Å; H51-V54 HydrophobicContact CB-CG2 3.88Å; H51-V54 PolarHBondContact O-N 2.94Å; R52-V54 PolarHBondContact O-N 3.5Å; V54-A56 PolarHBondContact O-N 3.22Å; V54-A57 PolarHBondContact O-N 2.84Å; V54-C58 PolarHBondContact O-N 2.82Å; V54-C58 VanDerWaalsContact O-N 3.16Å; V54-C58 PolarHBondContact O-SG 3.24Å; V54-A95 HydrophobicContact CG1-CB 3.98Å; V54-A95 WeakPolarHBondContact CG1-O 3.25Å; V54-Y96 HydrophobicContact CB-CE1 4.01Å; V54-Y96 HydrophobicContact CG1-CD1 4.01Å; V54-Y96 HydrophobicContact CG1-CE1 3.71Å; V54-Y96 HydrophobicContact CG1-CE2 4.46Å; V54-Y96 HydrophobicContact CG2-CE1 3.88Å
55L94.8Very high92.6Very high0 Ų043.3 Ų43.30%026%0.258CS..Hα-helixtrans-62-42.3178.1-69.2177.4000112.5I38 L40 C50 H51 R52 A57 C58 S59 F62 F66I38-L55 HydrophobicContact CG2-CD1 4.17Å; L40-L55 HydrophobicContact CD1-CD1 3.88Å; L40-L55 HydrophobicContact CD2-CD1 4.46Å; L40-L55 HydrophobicContact CG-CD1 4.32Å; C50-L55 HydrophobicContact CB-CD1 3.71Å; C50-L55 HydrophobicContact CB-CG 4.25Å; H51-L55 PolarHBondContact O-N 2.89Å; H51-L55 VanDerWaalsContact O-N 3.11Å; R52-L55 PolarHBondContact O-N 3.44Å; L55-A57 VanDerWaalsContact C-N 3.33Å; L55-A57 PolarHBondContact O-N 3.43Å; L55-C58 PolarHBondContact O-N 3.06Å; L55-S59 WeakPolarHBondContact O-CB 3.38Å; L55-S59 PolarHBondContact O-N 3.32Å; L55-F62 HydrophobicContact CB-CB 4.09Å; L55-F62 HydrophobicContact CB-CD2 3.89Å; L55-F62 HydrophobicContact CB-CG 4.06Å; L55-F62 HydrophobicContact CD2-CD2 4.28Å; L55-F62 HydrophobicContact CD2-CE2 4.23Å; L55-F62 HydrophobicContact CG-CD2 4.47Å; L55-F66 HydrophobicContact CB-CE2 4.19Å
56A94.1Very high92.8Very high21 Ų2142.5 Ų42.517%0.17424%0.244CC..Hα-helixtrans-69.3-28.5177.300000113.3R52 V54 K63 F66R52-A56 WeakPolarHBondContact O-CB 3.46Å; R52-A56 PolarHBondContact O-N 3.16Å; V54-A56 PolarHBondContact O-N 3.22Å; A56-K63 HydrophobicContact CB-CB 4Å; A56-K63 HydrophobicContact CB-CG 4.41Å; A56-F66 HydrophobicContact CB-CD2 4.05Å; A56-F66 HydrophobicContact CB-CE2 4.49Å
57A93.6Very high92.6Very high87 Ų8744.2 Ų44.272%0.71925%0.254SS*.Hα-helixtrans-69.4-3617400000111.6A53 V54 L55A53-A57 WeakPolarHBondContact O-CB 3.37Å; A53-A57 PolarHBondContact O-N 3.43Å; V54-A57 PolarHBondContact O-N 2.84Å; L55-A57 VanDerWaalsContact C-N 3.33Å; L55-A57 PolarHBondContact O-N 3.43Å
58C94.3Very high91.6Very high45 Ų4542.4 Ų42.430%0.30425%0.251SS..Hα-helixtrans-92.2-19-176.6-60.40000114.7V54 L55 A95 F119V54-C58 PolarHBondContact O-N 2.82Å; V54-C58 VanDerWaalsContact O-N 3.16Å; V54-C58 PolarHBondContact O-SG 3.24Å; L55-C58 PolarHBondContact O-N 3.06Å; C58-A95 HydrophobicContact CB-CB 4.25Å; C58-F119 HydrophobicContact CB-CD1 4.24Å; C58-F119 HydrophobicContact CB-CE1 3.76Å
59S95.8Very high90.3Very high1 Ų149.4 Ų49.41%0.00729%0.289CS..  trans-138.6123.1-172.8157.50000111.8L55 Y61 F62 K63 L117L55-S59 WeakPolarHBondContact O-CB 3.38Å; L55-S59 PolarHBondContact O-N 3.32Å; S59-Y61 PolarHBondContact O-N 3.09Å; S59-Y61 PolarHBondContact OG-N 3.21Å; S59-F62 PolarHBondContact O-N 3.49Å; S59-F62 WeakPolarHBondContact OG-CD2 3.32Å; S59-F62 PolarHBondContact OG-N 3.26Å; S59-F62 VanDerWaalsContact OG-N 3.14Å; S59-K63 WeakPolarHBondContact O-CB 3.3Å; S59-K63 PolarHBondContact O-N 3.1Å; S59-L117 WeakPolarHBondContact CB-O 3.37Å; S59-L117 PolarHBondContact OG-O 2.66Å
60N93.3Very high88.9Confident84 Ų8449.5 Ų49.545%0.44929%0.291SS..Hα-helixtrans-66.8-28.2175.9-73.1-30.8000112.4A64 Q118N60-A64 VanDerWaalsContact O-CB 3.29Å; N60-A64 WeakPolarHBondContact O-CB 3.49Å; N60-A64 PolarHBondContact O-N 2.98Å; N60-Q118 HydrophobicContact CB-CB 4.03Å
61Y92.9Very high87.5Confident77 Ų7757.7 Ų57.730%0.30233%0.326SS..Hα-helixtrans-63.4-51.3174.4175.5-96000111S59 A64 M65 L80 L117S59-Y61 PolarHBondContact O-N 3.09Å; S59-Y61 PolarHBondContact OG-N 3.21Å; Y61-A64 PolarHBondContact O-N 3.14Å; Y61-M65 HydrophobicContact CD1-CE 4.15Å; Y61-M65 HydrophobicContact CE1-CE 3.22Å; Y61-M65 HydrophobicContact CE2-CE 4.27Å; Y61-M65 VanDerWaalsContact O-CB 3.31Å; Y61-M65 WeakPolarHBondContact O-CB 3.5Å; Y61-M65 PolarHBondContact O-N 3.2Å; Y61-M65 WeakPolarHBondContact OH-CE 3.2Å; Y61-L80 HydrophobicContact CE1-CD2 4.4Å; Y61-L117 VanDerWaalsContact CB-O 3.31Å; Y61-L117 WeakPolarHBondContact CB-O 3.18Å; Y61-L117 HydrophobicContact CD1-CD2 3.67Å; Y61-L117 HydrophobicContact CE1-CD2 3.68Å; Y61-L117 HydrophobicContact CG-CD2 4.37Å
62F92.8Very high86.2Confident1 Ų159.8 Ų59.80%0.00434%0.336CS..Hα-helixtrans-67-38.5177.7-71.8-52.9000111.8L40 L55 S59 M65 F66 L80 L117 F119L40-F62 HydrophobicContact CD1-CZ 4.02Å; L40-F62 HydrophobicContact CD2-CE1 4.03Å; L40-F62 HydrophobicContact CD2-CZ 4.32Å; L55-F62 HydrophobicContact CB-CB 4.09Å; L55-F62 HydrophobicContact CB-CD2 3.89Å; L55-F62 HydrophobicContact CB-CG 4.06Å; L55-F62 HydrophobicContact CD2-CD2 4.28Å; L55-F62 HydrophobicContact CD2-CE2 4.23Å; L55-F62 HydrophobicContact CG-CD2 4.47Å; S59-F62 PolarHBondContact O-N 3.49Å; S59-F62 WeakPolarHBondContact OG-CD2 3.32Å; S59-F62 PolarHBondContact OG-N 3.26Å; S59-F62 VanDerWaalsContact OG-N 3.14Å; F62-M65 PolarHBondContact O-N 3.14Å; F62-F66 HydrophobicContact CB-CD2 4.44Å; F62-F66 HydrophobicContact CB-CE2 3.78Å; F62-F66 HydrophobicContact CB-CZ 3.93Å; F62-F66 HydrophobicContact CD1-CE1 4.37Å; F62-F66 AromaticContact CD1-CZ 3.83Å; F62-F66 HydrophobicContact CD1-CZ 3.83Å; F62-F66 HydrophobicContact CG-CE2 4.43Å; F62-F66 HydrophobicContact CG-CZ 4.18Å; F62-F66 WeakPolarHBondContact O-CD2 3.43Å; F62-F66 WeakPolarHBondContact O-CG 3.28Å; F62-F66 PolarHBondContact O-N 3.42Å; F62-L80 HydrophobicContact CZ-CD1 4.19Å; F62-L117 HydrophobicContact CE2-CD1 4.43Å; F62-L117 HydrophobicContact CZ-CD1 4.38Å; F62-L117 HydrophobicContact CZ-CD2 4.18Å; F62-F119 HydrophobicContact CD2-CE2 4.37Å; F62-F119 HydrophobicContact CD2-CZ 4.46Å; F62-F119 HydrophobicContact CE2-CE2 4Å; F62-F119 HydrophobicContact CE2-CZ 4.24Å
63K92.1Very high85.2Confident111 Ų11162.6 Ų62.648%0.48335%0.349SS..Hα-helixtrans-55.5-55.5173-172.1176.4178.4178.30111.2A56 S59 M65 F66 T67A56-K63 HydrophobicContact CB-CB 4Å; A56-K63 HydrophobicContact CB-CG 4.41Å; S59-K63 WeakPolarHBondContact O-CB 3.3Å; S59-K63 PolarHBondContact O-N 3.1Å; K63-M65 VanDerWaalsContact C-N 3.32Å; K63-M65 PolarHBondContact O-N 2.91Å; K63-F66 PolarHBondContact O-N 3.34Å; K63-T67 WeakPolarHBondContact O-CG2 3.29Å; K63-T67 PolarHBondContact O-N 3.44Å; K63-T67 PolarHBondContact O-OG1 3.37Å
64A90.3Very high84.2Confident45 Ų4564.3 Ų64.337%0.37236%0.358SS..Hα-helixtrans-58.8-44.217900000111.6N60 Y61 F66 T67 A68N60-A64 VanDerWaalsContact O-CB 3.29Å; N60-A64 WeakPolarHBondContact O-CB 3.49Å; N60-A64 PolarHBondContact O-N 2.98Å; Y61-A64 PolarHBondContact O-N 3.14Å; A64-F66 VanDerWaalsContact C-N 3.32Å; A64-F66 PolarHBondContact O-N 3.37Å; A64-T67 PolarHBondContact O-N 2.8Å; A64-A68 WeakPolarHBondContact O-CB 3.45Å; A64-A68 PolarHBondContact O-N 3.33Å
65M88.3Confident83.5Confident12 Ų1268 Ų686%0.05937%0.372CS..Hα-helixtrans-61.1-36.8178.8-174.6-176-69.900113.2Y61 F62 K63 E72 I78Y61-M65 HydrophobicContact CD1-CE 4.15Å; Y61-M65 HydrophobicContact CE1-CE 3.22Å; Y61-M65 HydrophobicContact CE2-CE 4.27Å; Y61-M65 VanDerWaalsContact O-CB 3.31Å; Y61-M65 WeakPolarHBondContact O-CB 3.5Å; Y61-M65 PolarHBondContact O-N 3.2Å; Y61-M65 WeakPolarHBondContact OH-CE 3.2Å; F62-M65 PolarHBondContact O-N 3.14Å; K63-M65 VanDerWaalsContact C-N 3.32Å; K63-M65 PolarHBondContact O-N 2.91Å; M65-E72 HydrophobicContact CG-CB 3.65Å; M65-E72 HydrophobicContact CG-CG 4.28Å; M65-E72 HydrophobicContact SD-CB 4Å; M65-E72 HydrophobicContact SD-CG 4.26Å; M65-I78 HydrophobicContact SD-CD1 3.36Å; M65-I78 WeakPolarHBondContact SD-CD1 3.32Å; M65-I78 HydrophobicContact SD-CG1 4.17Å; M65-I78 HydrophobicContact SD-CG2 4.33Å
66F87.8Confident83Confident21 Ų2176.3 Ų76.39%0.09241%0.408CS..Hα-helixtrans-86.6-25.9-178-55.7-23.1000113.3I38 R52 L55 A56 F62 K63 A64 K73 I78I38-F66 HydrophobicContact CD1-CD1 4.26Å; I38-F66 HydrophobicContact CD1-CE1 3.29Å; I38-F66 HydrophobicContact CD1-CE2 4.45Å; I38-F66 HydrophobicContact CD1-CZ 3.42Å; I38-F66 VanDerWaalsContact CD1-CZ 3.42Å; R52-F66 HydrophobicContact CB-CD2 3.69Å; R52-F66 HydrophobicContact CB-CE2 3.78Å; R52-F66 HydrophobicContact CB-CG 4.43Å; R52-F66 HydrophobicContact CG-CD2 3.91Å; R52-F66 HydrophobicContact CG-CE2 3.84Å; R52-F66 HydrophobicContact CG-CG 4.3Å; R52-F66 HydrophobicContact CG-CZ 4.16Å; R52-F66 VanDerWaalsContact NH1-CD1 3.35Å; R52-F66 WeakPolarHBondContact O-CE2 3.22Å; L55-F66 HydrophobicContact CB-CE2 4.19Å; A56-F66 HydrophobicContact CB-CD2 4.05Å; A56-F66 HydrophobicContact CB-CE2 4.49Å; F62-F66 HydrophobicContact CB-CD2 4.44Å; F62-F66 HydrophobicContact CB-CE2 3.78Å; F62-F66 HydrophobicContact CB-CZ 3.93Å; F62-F66 HydrophobicContact CD1-CE1 4.37Å; F62-F66 AromaticContact CD1-CZ 3.83Å; F62-F66 HydrophobicContact CD1-CZ 3.83Å; F62-F66 HydrophobicContact CG-CE2 4.43Å; F62-F66 HydrophobicContact CG-CZ 4.18Å; F62-F66 WeakPolarHBondContact O-CD2 3.43Å; F62-F66 WeakPolarHBondContact O-CG 3.28Å; F62-F66 PolarHBondContact O-N 3.42Å; K63-F66 PolarHBondContact O-N 3.34Å; A64-F66 VanDerWaalsContact C-N 3.32Å; A64-F66 PolarHBondContact O-N 3.37Å; F66-K73 WeakPolarHBondContact O-CG 3.13Å; F66-I78 HydrophobicContact CE1-CD1 3.73Å; F66-I78 HydrophobicContact CZ-CD1 4.39Å
67T84.4Confident82.7Confident97 Ų9778.9 Ų78.960%0.59542%0.417SS*.Hα-helixtrans-98.1-32.9-176.960.80000114K63 A64K63-T67 WeakPolarHBondContact O-CG2 3.29Å; K63-T67 PolarHBondContact O-N 3.44Å; K63-T67 PolarHBondContact O-OG1 3.37Å; A64-T67 PolarHBondContact O-N 2.8Å
68A70.1Confident82.5Confident37 Ų3775.2 Ų75.231%0.30639%0.385SS..SBendtrans-70.1160.9178.300000111.5A64 M70A64-A68 WeakPolarHBondContact O-CB 3.45Å; A64-A68 PolarHBondContact O-N 3.33Å; A68-M70 HydrophobicContact CB-CG 4.03Å; A68-M70 PolarHBondContact O-N 2.88Å
69D66.1Low82.2Confident163 Ų16381.6 Ų81.687%0.87240%0.403SS*.SBendtrans-72.544.5171.5-75.3-27.5000112.1K73D69-K73 IonicContact OD1-NZ 3.96Å
70M65.6Low81.8Confident100 Ų10082 Ų8249%0.49341%0.405SS..  trans-82147.1171.7-69.9-165.5175.600110.2A68 E72 K73A68-M70 HydrophobicContact CB-CG 4.03Å; A68-M70 PolarHBondContact O-N 2.88Å; M70-E72 PolarHBondContact O-N 3.43Å; M70-K73 VanDerWaalsContact O-CB 3.28Å; M70-K73 WeakPolarHBondContact O-CB 3.36Å; M70-K73 PolarHBondContact O-N 3.41Å; M70-K73 VanDerWaalsContact O-N 3.09Å
71K65.1Low81Confident172 Ų17283.2 Ų83.275%0.74842%0.417SS*.G310 helixtrans-59.7-22.7179.9-71.8-178.3178.7176.50112.4K73 S74K71-K73 VanDerWaalsContact C-N 3.29Å; K71-K73 PolarHBondContact O-N 3.21Å; K71-S74 PolarHBondContact O-OG 2.8Å
72E69Low80.5Confident55 Ų5583.2 Ų83.226%0.25744%0.441SS..G310 helixtrans-72.1-20.7-178.9-70.758.3-132.500112.9M65 M70 S74 K75M65-E72 HydrophobicContact CG-CB 3.65Å; M65-E72 HydrophobicContact CG-CG 4.28Å; M65-E72 HydrophobicContact SD-CB 4Å; M65-E72 HydrophobicContact SD-CG 4.26Å; M70-E72 PolarHBondContact O-N 3.43Å; E72-S74 PolarHBondContact O-N 3.3Å; E72-K75 HydrophobicContact CG-CD 4.46Å; E72-K75 PolarHBondContact O-N 3.02Å; E72-K75 IonicContact OE1-NZ 2.78Å; E72-K75 PolarHBondContact OE1-NZ 2.88Å
73K70.5Confident80.3Confident100 Ų10084.1 Ų84.144%0.43545%0.445SS..G310 helixtrans-56.1-38.1178.2-179.8171.9177.8177.70112.7F66 D69 M70 K71F66-K73 WeakPolarHBondContact O-CG 3.13Å; D69-K73 IonicContact OD1-NZ 3.96Å; M70-K73 VanDerWaalsContact O-CB 3.28Å; M70-K73 WeakPolarHBondContact O-CB 3.36Å; M70-K73 PolarHBondContact O-N 3.41Å; M70-K73 VanDerWaalsContact O-N 3.09Å; K71-K73 VanDerWaalsContact C-N 3.29Å; K71-K73 PolarHBondContact O-N 3.21Å
74S72.5Confident80.2Confident107 Ų10781.6 Ų81.675%0.74844%0.442SS*.G310 helixtrans-93-5.3179.356.10000114.1K71 E72K71-S74 PolarHBondContact O-OG 2.8Å; E72-S74 PolarHBondContact O-N 3.3Å
75K81.3Confident80.3Confident92 Ų9283 Ų8340%0.444%0.441SS..  trans-81.7129.2179.3-68.3-178.6-173.6163.60110.5R52 E72 Q77R52-K75 PolarHBondContact NH2-O 2.89Å; E72-K75 HydrophobicContact CG-CD 4.46Å; E72-K75 PolarHBondContact O-N 3.02Å; E72-K75 IonicContact OE1-NZ 2.78Å; E72-K75 PolarHBondContact OE1-NZ 2.88Å; K75-Q77 VanDerWaalsContact C-N 3.32Å
76K82.9Confident80.5Confident174 Ų17487.1 Ų87.176%0.75746%0.462SS*.SBendtrans-76.6-18.6172-67.1-169.8177.2-173.10113.4T39T39-K76 PolarHBondContact N-O 3.37Å; T39-K76 PolarHBondContact OG1-O 2.89Å; T39-K76 VanDerWaalsContact OG1-O 3.1Å
77Q88.1Confident80.9Confident76 Ų7686.5 Ų86.536%0.35546%0.459SS..EExtended strand (participates in β ladder)trans-127.8132.2-179.2-174176.939.400110.9T39 Q41 K75T39-Q77 CarbonylContact O-C 3.56Å; T39-Q77 WeakPolarHBondContact O-CA 3.46Å; T39-Q77 WeakPolarHBondContact OG1-CA 3.25Å; T39-Q77 WeakPolarHBondContact OG1-CB 3.31Å; T39-Q77 WeakPolarHBondContact OG1-CG 3.32Å; Q41-Q77 HydrophobicContact CB-CG 4.44Å; K75-Q77 VanDerWaalsContact C-N 3.32Å
78I89.2Confident81.4Confident10 Ų1082 Ų825%0.05143%0.432CS..EExtended strand (participates in β ladder)trans-117.3133174.9-63.5164.6000109.1I38 T39 L40 Q41 M65 F66 L80I38-I78 HydrophobicContact CD1-CD1 3.32Å; I38-I78 HydrophobicContact CD1-CG1 4.19Å; I38-I78 HydrophobicContact CG1-CD1 4.17Å; T39-I78 PolarHBondContact O-N 3.2Å; L40-I78 HydrophobicContact CD2-CB 4.09Å; L40-I78 HydrophobicContact CD2-CD1 4.25Å; Q41-I78 PolarHBondContact N-O 3.12Å; M65-I78 HydrophobicContact SD-CD1 3.36Å; M65-I78 WeakPolarHBondContact SD-CD1 3.32Å; M65-I78 HydrophobicContact SD-CG1 4.17Å; M65-I78 HydrophobicContact SD-CG2 4.33Å; F66-I78 HydrophobicContact CE1-CD1 3.73Å; F66-I78 HydrophobicContact CZ-CD1 4.39Å; I78-L80 HydrophobicContact CG2-CD2 4.12Å; I78-L80 HydrophobicContact CG2-CG 4.26Å
79R87.9Confident82.5Confident178 Ų17884.1 Ų84.167%0.67244%0.435SS*.EExtended strand (participates in β ladder)trans-100.6129.4173.4-66.3-176176.9178.74.8109.5Q41 P81Q41-R79 HydrophobicContact CB-CG 4.24Å; R79-P81 VanDerWaalsContact O-CD 3.24Å; R79-P81 WeakPolarHBondContact O-CD 3.18Å
80L87.6Confident84Confident10 Ų1077.5 Ų77.55%0.05240%0.403CS..EExtended strand (participates in β ladder)trans-113.881.6176.3-64.6172.7000109.1Q41 Y61 F62 I78 L83 L88 L117Q41-L80 PolarHBondContact O-N 3.46Å; Y61-L80 HydrophobicContact CE1-CD2 4.4Å; F62-L80 HydrophobicContact CZ-CD1 4.19Å; I78-L80 HydrophobicContact CG2-CD2 4.12Å; I78-L80 HydrophobicContact CG2-CG 4.26Å; L80-L83 HydrophobicContact CB-CD1 4.12Å; L80-L83 HydrophobicContact CD1-CD1 4.18Å; L80-L88 HydrophobicContact CD1-CD1 3.96Å; L80-L88 HydrophobicContact CD1-CD2 4.18Å; L80-L117 HydrophobicContact CD1-CD2 4.32Å; L80-L117 HydrophobicContact CD2-CD2 4.26Å
81P77.6Confident85.4Confident110 Ų11072.8 Ų72.871%0.71438%0.38SS*.THydrogen-bonded Turntrans-66.1138.2177.629.1-33.4000109.9R79R79-P81 VanDerWaalsContact O-CD 3.24Å; R79-P81 WeakPolarHBondContact O-CD 3.18Å
82G82.3Confident86.9Confident77 Ų7764.7 Ų64.779%0.79435%0.345SS*.THydrogen-bonded Turntrans96.6-10177.400000115.9
83L88.3Confident88.1Confident19 Ų1964.7 Ų64.710%0.09935%0.347CS..  trans-94.2133.8174.1-68.9176.7000112L80 L88 A113 L116 L117L80-L83 HydrophobicContact CB-CD1 4.12Å; L80-L83 HydrophobicContact CD1-CD1 4.18Å; L83-L88 HydrophobicContact CD1-CD1 4.34Å; L83-A113 HydrophobicContact CD2-CB 3.49Å; L83-A113 VanDerWaalsContact CD2-CB 3.49Å; L83-L116 HydrophobicContact CD2-CD2 4.38Å; L83-L117 HydrophobicContact CD1-CD1 3.7Å; L83-L117 HydrophobicContact CD1-CD2 4.38Å; L83-L117 HydrophobicContact CD1-CG 4.16Å
84S90.3Very high89.4Confident58 Ų5862 Ų6241%0.40633%0.334SS..  trans-67.2141.2169.21760000110.5I86 I87 L88S84-I86 PolarHBondContact O-N 3.26Å; S84-I86 PolarHBondContact OG-N 2.97Å; S84-I87 PolarHBondContact O-N 3.34Å; S84-L88 PolarHBondContact O-N 2.89Å
85H91.4Very high90.5Very high75 Ų7557.1 Ų57.135%0.34730%0.3SS..Hα-helixtrans-57-38.6176.871-77.6000112.7C42 V46 I87 L88 E89C42-H85 HydrophobicContact CB-CB 4.43Å; V46-H85 HydrophobicContact CB-CB 4.44Å; V46-H85 HydrophobicContact CG2-CB 4.29Å; H85-I87 VanDerWaalsContact C-N 3.33Å; H85-I87 PolarHBondContact O-N 3.43Å; H85-L88 PolarHBondContact O-N 2.97Å; H85-E89 WeakPolarHBondContact O-CB 3.44Å; H85-E89 PolarHBondContact O-N 3.21Å
86I93.4Very high91.3Very high99 Ų9952.8 Ų52.851%0.50828%0.281SS..Hα-helixtrans-63-41.3-179.7-55.8177.3000110.9S84 A90S84-I86 PolarHBondContact O-N 3.26Å; S84-I86 PolarHBondContact OG-N 2.97Å; I86-A90 WeakPolarHBondContact O-CB 3.08Å; I86-A90 PolarHBondContact O-N 2.9Å
87I95.2Very high91.8Very high8 Ų846.2 Ų46.24%0.04126%0.256CS..Hα-helixtrans-75.2-41.9-177.6-59.9-60.8000110.8S84 H85 E89 A90 L91 N106 L110 A113S84-I87 PolarHBondContact O-N 3.34Å; H85-I87 VanDerWaalsContact C-N 3.33Å; H85-I87 PolarHBondContact O-N 3.43Å; I87-E89 VanDerWaalsContact C-N 3.34Å; I87-A90 PolarHBondContact O-N 2.98Å; I87-L91 HydrophobicContact CG2-CD1 4.46Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 3.43Å; I87-N106 HydrophobicContact CD1-CB 4.1Å; I87-L110 HydrophobicContact CD1-CB 4.23Å; I87-L110 HydrophobicContact CG2-CD1 3.97Å; I87-A113 HydrophobicContact CG2-CB 3.4Å
88L94.4Very high92.1Very high2 Ų245.7 Ų45.71%0.0126%0.264CS..Hα-helixtrans-63.9-43.4175.9-173.664.9000111L40 C42 F48 L80 L83 S84 H85 A90 L91 V92 L117L40-L88 HydrophobicContact CB-CD2 4.25Å; L40-L88 HydrophobicContact CD1-CD1 4.47Å; C42-L88 WeakPolarHBondContact SG-CD2 3.45Å; F48-L88 HydrophobicContact CD2-CD2 4Å; F48-L88 HydrophobicContact CE2-CD2 4.04Å; F48-L88 HydrophobicContact CE2-CG 4.43Å; L80-L88 HydrophobicContact CD1-CD1 3.96Å; L80-L88 HydrophobicContact CD1-CD2 4.18Å; L83-L88 HydrophobicContact CD1-CD1 4.34Å; S84-L88 PolarHBondContact O-N 2.89Å; H85-L88 PolarHBondContact O-N 2.97Å; L88-A90 VanDerWaalsContact C-N 3.32Å; L88-A90 PolarHBondContact O-N 2.9Å; L88-L91 PolarHBondContact O-N 3.42Å; L88-V92 HydrophobicContact CD1-CG2 4.37Å; L88-V92 HydrophobicContact CG-CG2 4.27Å; L88-V92 VanDerWaalsContact O-CG2 3.31Å; L88-V92 WeakPolarHBondContact O-CG2 3.47Å; L88-V92 PolarHBondContact O-N 3.37Å; L88-L117 HydrophobicContact CD1-CD1 3.99Å
89E94.6Very high92.4Very high82 Ų8252.4 Ų52.438%0.38330%0.296SS..Hα-helixtrans-56.9-45.6174.4-179.9173.8-162.400111.3F48 H85 I87 L91 V92 N93F48-E89 HydrophobicContact CE1-CB 3.81Å; F48-E89 HydrophobicContact CE1-CG 4.02Å; F48-E89 HydrophobicContact CZ-CB 3.8Å; F48-E89 HydrophobicContact CZ-CG 4.46Å; H85-E89 WeakPolarHBondContact O-CB 3.44Å; H85-E89 PolarHBondContact O-N 3.21Å; I87-E89 VanDerWaalsContact C-N 3.34Å; E89-L91 VanDerWaalsContact C-N 3.35Å; E89-L91 PolarHBondContact O-N 3.39Å; E89-V92 PolarHBondContact O-N 2.79Å; E89-N93 WeakPolarHBondContact CG-ND2 3.39Å; E89-N93 VanDerWaalsContact O-CB 3.25Å; E89-N93 WeakPolarHBondContact O-CB 3.4Å; E89-N93 VanDerWaalsContact O-CG 3.23Å; E89-N93 PolarHBondContact O-N 3.33Å; E89-N93 PolarHBondContact O-ND2 2.56Å
90A96.4Very high92.8Very high23 Ų2346 Ų4619%0.1927%0.274CS..Hα-helixtrans-60-41.7176.900000112.8I86 I87 L88 Y94 I100I86-A90 WeakPolarHBondContact O-CB 3.08Å; I86-A90 PolarHBondContact O-N 2.9Å; I87-A90 PolarHBondContact O-N 2.98Å; L88-A90 VanDerWaalsContact C-N 3.32Å; L88-A90 PolarHBondContact O-N 2.9Å; A90-Y94 WeakPolarHBondContact O-CB 3.31Å; A90-Y94 PolarHBondContact O-N 3.14Å; A90-I100 HydrophobicContact CB-CD1 4.13Å; A90-I100 HydrophobicContact CB-CG1 4.3Å
91L96.6Very high93.2Very high1 Ų153 Ų531%0.00531%0.306CS..Hα-helixtrans-70.6-38.4177.7-69.8174.8000112.7I87 L88 E89 Y94 A95 I100 L110 A113 A114 L117 F119 V122I87-L91 HydrophobicContact CG2-CD1 4.46Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 3.43Å; L88-L91 PolarHBondContact O-N 3.42Å; E89-L91 VanDerWaalsContact C-N 3.35Å; E89-L91 PolarHBondContact O-N 3.39Å; L91-Y94 WeakPolarHBondContact O-CB 3.43Å; L91-Y94 PolarHBondContact O-N 3.38Å; L91-A95 PolarHBondContact O-N 3.36Å; L91-A95 VanDerWaalsContact O-N 3.14Å; L91-I100 HydrophobicContact CD2-CD1 4.13Å; L91-L110 HydrophobicContact CD2-CD1 3.8Å; L91-L110 HydrophobicContact CG-CD1 4.02Å; L91-A113 HydrophobicContact CD1-CB 3.87Å; L91-A114 HydrophobicContact CD2-CB 4.4Å; L91-L117 HydrophobicContact CD1-CD1 3.95Å; L91-F119 HydrophobicContact CB-CE2 4.29Å; L91-F119 HydrophobicContact CB-CZ 4.3Å; L91-F119 HydrophobicContact CD1-CD2 4.27Å; L91-F119 HydrophobicContact CD1-CE2 4.4Å; L91-F119 HydrophobicContact CD2-CB 4.33Å; L91-F119 HydrophobicContact CD2-CD1 4.47Å; L91-F119 HydrophobicContact CD2-CD2 4.22Å; L91-F119 HydrophobicContact CD2-CG 4.11Å; L91-V122 HydrophobicContact CD2-CB 4.27Å; L91-V122 HydrophobicContact CD2-CG1 3.85Å; L91-V122 HydrophobicContact CD2-CG2 4.21Å
92V95.3Very high94.1Very high2 Ų249.5 Ų49.51%0.01228%0.281CS..Hα-helixtrans-66.5-47.3175.2173.20000109.8Y30 L40 L88 E89 Y94 A95 Y96Y30-V92 HydrophobicContact CE1-CG1 4.47Å; Y30-V92 HydrophobicContact CE2-CG1 3.89Å; Y30-V92 WeakPolarHBondContact OH-CG1 3.44Å; L40-V92 HydrophobicContact CD1-CG2 4.1Å; L88-V92 HydrophobicContact CD1-CG2 4.37Å; L88-V92 HydrophobicContact CG-CG2 4.27Å; L88-V92 VanDerWaalsContact O-CG2 3.31Å; L88-V92 WeakPolarHBondContact O-CG2 3.47Å; L88-V92 PolarHBondContact O-N 3.37Å; E89-V92 PolarHBondContact O-N 2.79Å; V92-Y94 VanDerWaalsContact C-N 3.27Å; V92-Y94 PolarHBondContact O-N 2.96Å; V92-A95 VanDerWaalsContact O-CB 3.29Å; V92-A95 WeakPolarHBondContact O-CB 3.14Å; V92-A95 PolarHBondContact O-N 2.94Å; V92-Y96 HydrophobicContact CG1-CD2 4.21Å; V92-Y96 HydrophobicContact CG1-CE2 3.94Å; V92-Y96 VanDerWaalsContact O-CD2 3.22Å; V92-Y96 WeakPolarHBondContact O-CD2 3.42Å; V92-Y96 PolarHBondContact O-N 2.96Å
93N95.4Very high94.8Very high56 Ų5647.9 Ų47.930%0.29926%0.256SS..Hα-helixtrans-59.9-38.6175.7-74.1-20.6000111.5E89 A95 Y96 T97E89-N93 WeakPolarHBondContact CG-ND2 3.39Å; E89-N93 VanDerWaalsContact O-CB 3.25Å; E89-N93 WeakPolarHBondContact O-CB 3.4Å; E89-N93 VanDerWaalsContact O-CG 3.23Å; E89-N93 PolarHBondContact O-N 3.33Å; E89-N93 PolarHBondContact O-ND2 2.56Å; N93-A95 VanDerWaalsContact C-N 3.28Å; N93-A95 PolarHBondContact O-N 3.32Å; N93-Y96 PolarHBondContact O-N 3.33Å; N93-Y96 VanDerWaalsContact O-N 3.14Å; N93-T97 WeakPolarHBondContact O-CB 3.47Å; N93-T97 WeakPolarHBondContact O-CG2 3.24Å; N93-T97 PolarHBondContact O-N 2.78Å; N93-T97 PolarHBondContact O-OG1 3.05Å
94Y97.1Very high95Very high44 Ų4454.4 Ų54.417%0.17328%0.284CS..Hα-helixtrans-57.8-40.8172.2166.4-95.8000112.1A90 L91 V92 Y96 T97 A98 Q99 I100 F119 S121 V122A90-Y94 WeakPolarHBondContact O-CB 3.31Å; A90-Y94 PolarHBondContact O-N 3.14Å; L91-Y94 WeakPolarHBondContact O-CB 3.43Å; L91-Y94 PolarHBondContact O-N 3.38Å; V92-Y94 VanDerWaalsContact C-N 3.27Å; V92-Y94 PolarHBondContact O-N 2.96Å; Y94-Y96 PolarHBondContact O-N 2.92Å; Y94-T97 PolarHBondContact O-N 2.92Å; Y94-A98 VanDerWaalsContact O-CA 3.3Å; Y94-A98 WeakPolarHBondContact O-CA 3.39Å; Y94-A98 PolarHBondContact O-N 3.02Å; Y94-Q99 WeakPolarHBondContact CA-O 3.29Å; Y94-I100 HydrophobicContact CD2-CB 4.14Å; Y94-I100 HydrophobicContact CD2-CG2 4.27Å; Y94-F119 AromaticContact CD1-CD1 3.92Å; Y94-F119 HydrophobicContact CD1-CD1 3.92Å; Y94-F119 HydrophobicContact CD1-CE1 4.11Å; Y94-F119 AromaticContact CE1-CD1 3.99Å; Y94-F119 HydrophobicContact CE1-CD1 3.99Å; Y94-F119 HydrophobicContact CE1-CE1 4.46Å; Y94-S121 WeakPolarHBondContact OH-CB 3.34Å; Y94-V122 HydrophobicContact CD1-CG2 3.6Å; Y94-V122 HydrophobicContact CD2-CG2 3.99Å; Y94-V122 HydrophobicContact CE1-CG2 3.55Å; Y94-V122 HydrophobicContact CE2-CG2 3.93Å; Y94-V122 HydrophobicContact CG-CG2 3.83Å
95A96.3Very high95.3Very high4 Ų463.2 Ų63.23%0.03331%0.308CS..Hα-helixtrans-62.5-25.6179.100000113.3V54 C58 L91 V92 N93V54-A95 HydrophobicContact CG1-CB 3.98Å; V54-A95 WeakPolarHBondContact CG1-O 3.25Å; C58-A95 HydrophobicContact CB-CB 4.25Å; L91-A95 PolarHBondContact O-N 3.36Å; L91-A95 VanDerWaalsContact O-N 3.14Å; V92-A95 VanDerWaalsContact O-CB 3.29Å; V92-A95 WeakPolarHBondContact O-CB 3.14Å; V92-A95 PolarHBondContact O-N 2.94Å; N93-A95 VanDerWaalsContact C-N 3.28Å; N93-A95 PolarHBondContact O-N 3.32Å
96Y96.2Very high95.5Very high1 Ų161.1 Ų61.10%0.00430%0.299CS..Hα-helixtrans-105.7-10179.3-64.6-78.4000114.8L23 F26 Y30 H51 V54 V92 N93 Y94L23-Y96 WeakPolarHBondContact CD1-O 3.45Å; L23-Y96 WeakPolarHBondContact CG-O 3.34Å; F26-Y96 HydrophobicContact CB-CD1 4.19Å; F26-Y96 HydrophobicContact CB-CE1 4.45Å; Y30-Y96 AromaticContact CD1-CD2 3.8Å; Y30-Y96 HydrophobicContact CD1-CD2 3.8Å; Y30-Y96 HydrophobicContact CD1-CE2 4.14Å; Y30-Y96 HydrophobicContact CD1-CG 4.15Å; Y30-Y96 HydrophobicContact CD2-CD2 4.03Å; Y30-Y96 HydrophobicContact CD2-CE1 4.46Å; Y30-Y96 AromaticContact CD2-CE2 3.49Å; Y30-Y96 HydrophobicContact CD2-CE2 3.49Å; Y30-Y96 VanDerWaalsContact CD2-CE2 3.49Å; Y30-Y96 AromaticContact CD2-CZ 3.74Å; Y30-Y96 HydrophobicContact CE1-CD2 4.2Å; Y30-Y96 HydrophobicContact CE1-CE2 4.5Å; Y30-Y96 HydrophobicContact CE2-CD2 4.41Å; Y30-Y96 AromaticContact CE2-CE2 3.91Å; Y30-Y96 HydrophobicContact CE2-CE2 3.91Å; Y30-Y96 HydrophobicContact CG-CD1 4.27Å; Y30-Y96 AromaticContact CG-CD2 3.71Å; Y30-Y96 HydrophobicContact CG-CD2 3.71Å; Y30-Y96 HydrophobicContact CG-CE1 4.18Å; Y30-Y96 AromaticContact CG-CE2 3.61Å; Y30-Y96 HydrophobicContact CG-CE2 3.61Å; Y30-Y96 HydrophobicContact CG-CG 4.05Å; Y30-Y96 AromaticContact CG-CZ 3.86Å; H51-Y96 PolarHBondContact N-OH 3.07Å; H51-Y96 AromaticContact ND1-CE1 3.56Å; H51-Y96 AromaticContact ND1-CZ 3.67Å; H51-Y96 PolarHBondContact ND1-OH 2.87Å; V54-Y96 HydrophobicContact CB-CE1 4.01Å; V54-Y96 HydrophobicContact CG1-CD1 4.01Å; V54-Y96 HydrophobicContact CG1-CE1 3.71Å; V54-Y96 HydrophobicContact CG1-CE2 4.46Å; V54-Y96 HydrophobicContact CG2-CE1 3.88Å; V92-Y96 HydrophobicContact CG1-CD2 4.21Å; V92-Y96 HydrophobicContact CG1-CE2 3.94Å; V92-Y96 VanDerWaalsContact O-CD2 3.22Å; V92-Y96 WeakPolarHBondContact O-CD2 3.42Å; V92-Y96 PolarHBondContact O-N 2.96Å; N93-Y96 PolarHBondContact O-N 3.33Å; N93-Y96 VanDerWaalsContact O-N 3.14Å; Y94-Y96 PolarHBondContact O-N 2.92Å
97T94.9Very high95.6Very high36 Ų3656.6 Ų56.622%0.22128%0.276CS..Hα-helixtrans-123.3-14-176.962.60000113.5N93 Y94 Q99N93-T97 WeakPolarHBondContact O-CB 3.47Å; N93-T97 WeakPolarHBondContact O-CG2 3.24Å; N93-T97 PolarHBondContact O-N 2.78Å; N93-T97 PolarHBondContact O-OG1 3.05Å; Y94-T97 PolarHBondContact O-N 2.92Å; T97-Q99 PolarHBondContact O-N 3.05Å; T97-Q99 VanDerWaalsContact O-N 3.1Å; T97-Q99 PolarHBondContact OG1-N 3.19Å; T97-Q99 PolarHBondContact OG1-O 3.47Å
98A94.6Very high95.7Very high65 Ų6560.4 Ų60.454%0.53729%0.294SS..SBendtrans55.216.4-167.300000114.2L23 Y94L23-A98 HydrophobicContact CD2-CB 3.93Å; Y94-A98 VanDerWaalsContact O-CA 3.3Å; Y94-A98 WeakPolarHBondContact O-CA 3.39Å; Y94-A98 PolarHBondContact O-N 3.02Å
99Q94.9Very high95.7Very high151 Ų15162.6 Ų62.671%0.70631%0.31SS*.  trans-122.2141.5-178.2-66.5179.218.800110.3Y94 T97Y94-Q99 WeakPolarHBondContact CA-O 3.29Å; T97-Q99 PolarHBondContact O-N 3.05Å; T97-Q99 VanDerWaalsContact O-N 3.1Å; T97-Q99 PolarHBondContact OG1-N 3.19Å; T97-Q99 PolarHBondContact OG1-O 3.47Å
100I96Very high95.9Very high43 Ų4358.7 Ų58.722%0.22129%0.291CS..  trans-147137174.4-163.6162.2000110.5A90 L91 Y94 I102 L110 V122A90-I100 HydrophobicContact CB-CD1 4.13Å; A90-I100 HydrophobicContact CB-CG1 4.3Å; L91-I100 HydrophobicContact CD2-CD1 4.13Å; Y94-I100 HydrophobicContact CD2-CB 4.14Å; Y94-I100 HydrophobicContact CD2-CG2 4.27Å; I100-I102 HydrophobicContact CG2-CD1 4.43Å; I100-I102 HydrophobicContact CG2-CG1 4.23Å; I100-L110 HydrophobicContact CD1-CD1 3.68Å; I100-L110 HydrophobicContact CD1-CD2 3.79Å; I100-L110 HydrophobicContact CD1-CG 4.3Å; I100-L110 HydrophobicContact CG1-CD2 4.16Å; I100-V122 HydrophobicContact CD1-CG1 3.85Å; I100-V122 HydrophobicContact CD1-CG2 4.49Å; I100-V122 HydrophobicContact CG2-CG1 4.48Å
101Q95.9Very high95.9Very high156 Ų15657.6 Ų57.673%0.72928%0.282SS*.  trans-91.7111.6179.9-173.1177.8-16.100110.5T103 N106Q101-T103 HydrophobicContact CG-CG2 4.11Å; Q101-N106 PolarHBondContact O-ND2 3.29Å
102I96.8Very high95.9Very high37 Ų3761.9 Ų61.919%0.1930%0.302CS..  trans-100.6131.3177.2-51.7176.4000108.9I100 V107 L110 A125 F129I100-I102 HydrophobicContact CG2-CD1 4.43Å; I100-I102 HydrophobicContact CG2-CG1 4.23Å; I102-V107 HydrophobicContact CG2-CB 3.8Å; I102-V107 HydrophobicContact CG2-CG2 3.7Å; I102-L110 HydrophobicContact CG1-CD2 4.05Å; I102-A125 HydrophobicContact CD1-CB 3.75Å; I102-F129 HydrophobicContact CB-CD2 4.3Å; I102-F129 HydrophobicContact CB-CG 4.44Å; I102-F129 HydrophobicContact CG2-CB 3.87Å; I102-F129 HydrophobicContact CG2-CD1 3.83Å; I102-F129 HydrophobicContact CG2-CD2 3.88Å; I102-F129 HydrophobicContact CG2-CE1 4.34Å; I102-F129 HydrophobicContact CG2-CE2 4.39Å; I102-F129 HydrophobicContact CG2-CG 3.57Å
103T96.1Very high96Very high44 Ų4461.8 Ų61.827%0.2730%0.302SS..  trans-138.8160.7-178.171.70000109.6Q101 R105 N106 V107Q101-T103 HydrophobicContact CG-CG2 4.11Å; T103-R105 PolarHBondContact O-N 3.24Å; T103-R105 PolarHBondContact OG1-N 3.32Å; T103-N106 WeakPolarHBondContact CA-OD1 3.24Å; T103-N106 PolarHBondContact N-OD1 2.8Å; T103-N106 PolarHBondContact O-N 2.67Å; T103-N106 PolarHBondContact O-OD1 3.5Å; T103-N106 VanDerWaalsContact OG1-CG 3.3Å; T103-N106 PolarHBondContact OG1-N 3.47Å; T103-N106 PolarHBondContact OG1-OD1 3Å; T103-V107 WeakPolarHBondContact O-CB 3.4Å; T103-V107 WeakPolarHBondContact O-CG1 3.47Å; T103-V107 PolarHBondContact O-N 2.81Å
104K93.8Very high96Very high156 Ų15659.1 Ų59.168%0.67829%0.288SS*.THydrogen-bonded Turntrans-55.4-26.9174.6-63.6-171177-168.60113.6F129 H133K104-F129 HydrophobicContact CG-CE1 4.18Å; K104-F129 HydrophobicContact CG-CZ 4.21Å; K104-H133 WeakPolarHBondContact CE-ND1 3.37Å
105R95.6Very high96Very high242 Ų24259.3 Ų59.391%0.91329%0.292SS*.THydrogen-bonded Turntrans-83.7-30.7-176.9-63.6-178.5-177.3166.70.9113.8T103T103-R105 PolarHBondContact O-N 3.24Å; T103-R105 PolarHBondContact OG1-N 3.32Å
106N95.9Very high95.9Very high31 Ų3164 Ų6417%0.16632%0.316CS..THydrogen-bonded Turntrans-108.9-15.1-174.972.2-14.5000113.7I87 Q101 T103 Q108 S109 L110I87-N106 HydrophobicContact CD1-CB 4.1Å; Q101-N106 PolarHBondContact O-ND2 3.29Å; T103-N106 WeakPolarHBondContact CA-OD1 3.24Å; T103-N106 PolarHBondContact N-OD1 2.8Å; T103-N106 PolarHBondContact O-N 2.67Å; T103-N106 PolarHBondContact O-OD1 3.5Å; T103-N106 VanDerWaalsContact OG1-CG 3.3Å; T103-N106 PolarHBondContact OG1-N 3.47Å; T103-N106 PolarHBondContact OG1-OD1 3Å; N106-Q108 VanDerWaalsContact C-N 3.35Å; N106-Q108 PolarHBondContact O-N 2.84Å; N106-S109 PolarHBondContact O-N 3.47Å; N106-S109 PolarHBondContact O-OG 3.43Å; N106-S109 VanDerWaalsContact O-OG 3.1Å; N106-L110 WeakPolarHBondContact O-CB 3.31Å; N106-L110 PolarHBondContact O-N 3.36Å
107V96.7Very high95.8Very high4 Ų464 Ų642%0.02432%0.316CS..Hα-helixtrans-58.2-40.4-170.261.80000113.9I102 T103 L111 C126 F129 L130I102-V107 HydrophobicContact CG2-CB 3.8Å; I102-V107 HydrophobicContact CG2-CG2 3.7Å; T103-V107 WeakPolarHBondContact O-CB 3.4Å; T103-V107 WeakPolarHBondContact O-CG1 3.47Å; T103-V107 PolarHBondContact O-N 2.81Å; V107-L111 VanDerWaalsContact O-CB 3.25Å; V107-L111 WeakPolarHBondContact O-CB 3.13Å; V107-L111 PolarHBondContact O-N 3.29Å; V107-C126 HydrophobicContact CG2-CB 3.85Å; V107-F129 HydrophobicContact CB-CD1 4.05Å; V107-F129 HydrophobicContact CB-CE1 4.37Å; V107-F129 HydrophobicContact CG1-CD1 4.18Å; V107-F129 HydrophobicContact CG1-CE1 4.26Å; V107-F129 HydrophobicContact CG2-CB 4.42Å; V107-F129 HydrophobicContact CG2-CD1 3.86Å; V107-F129 HydrophobicContact CG2-CG 4.48Å; V107-L130 HydrophobicContact CB-CD2 4.45Å; V107-L130 HydrophobicContact CG1-CD2 3.61Å; V107-L130 HydrophobicContact CG1-CG 4.35Å; V107-L130 HydrophobicContact CG2-CD1 4.24Å; V107-L130 HydrophobicContact CG2-CD2 3.98Å; V107-L130 HydrophobicContact CG2-CG 3.76Å
108Q95.7Very high95.9Very high88 Ų8866.7 Ų66.741%0.41133%0.326SS..Hα-helixtrans-68.4-47.9-179-69.2178.7-2.900112.1N106 L110 L111 Q112 F145N106-Q108 VanDerWaalsContact C-N 3.35Å; N106-Q108 PolarHBondContact O-N 2.84Å; Q108-L110 VanDerWaalsContact C-N 3.32Å; Q108-L110 PolarHBondContact O-N 2.98Å; Q108-L111 PolarHBondContact O-N 3.38Å; Q108-Q112 WeakPolarHBondContact O-CB 3.32Å; Q108-Q112 WeakPolarHBondContact O-CG 3.43Å; Q108-Q112 PolarHBondContact O-N 3.47Å; Q108-F145 HydrophobicContact CB-CE2 4.36Å; Q108-F145 HydrophobicContact CB-CZ 4.12Å; Q108-F145 HydrophobicContact CG-CZ 4.32Å
109S96.1Very high96Very high48 Ų4863.8 Ų63.834%0.33630%0.301SS..Hα-helixtrans-69.4-32.517853.80000112.1N106 A113N106-S109 PolarHBondContact O-N 3.47Å; N106-S109 PolarHBondContact O-OG 3.43Å; N106-S109 VanDerWaalsContact O-OG 3.1Å; S109-A113 WeakPolarHBondContact O-CB 3.09Å; S109-A113 PolarHBondContact O-N 3.16Å
110L97.4Very high96Very high0 Ų060.7 Ų60.70%029%0.292CS..Hα-helixtrans-67.5-43.8173-177.559.8000111.6I87 L91 I100 I102 N106 Q108 A113 A114 V122I87-L110 HydrophobicContact CD1-CB 4.23Å; I87-L110 HydrophobicContact CG2-CD1 3.97Å; L91-L110 HydrophobicContact CD2-CD1 3.8Å; L91-L110 HydrophobicContact CG-CD1 4.02Å; I100-L110 HydrophobicContact CD1-CD1 3.68Å; I100-L110 HydrophobicContact CD1-CD2 3.79Å; I100-L110 HydrophobicContact CD1-CG 4.3Å; I100-L110 HydrophobicContact CG1-CD2 4.16Å; I102-L110 HydrophobicContact CG1-CD2 4.05Å; N106-L110 WeakPolarHBondContact O-CB 3.31Å; N106-L110 PolarHBondContact O-N 3.36Å; Q108-L110 VanDerWaalsContact C-N 3.32Å; Q108-L110 PolarHBondContact O-N 2.98Å; L110-A113 PolarHBondContact O-N 2.82Å; L110-A114 VanDerWaalsContact O-CB 3.22Å; L110-A114 WeakPolarHBondContact O-CB 3.41Å; L110-A114 PolarHBondContact O-N 3.17Å; L110-V122 HydrophobicContact CD1-CG1 4.2Å; L110-V122 HydrophobicContact CD2-CG1 4.33Å; L110-V122 HydrophobicContact CG-CG1 4.14Å
111L97.6Very high96Very high0 Ų062.3 Ų62.30%031%0.308CS..Hα-helixtrans-62.8-46.8176.2-170.8150.5000110.8V107 Q108 A113 A114 D115 K123 C126 E127 L130 F145 H149V107-L111 VanDerWaalsContact O-CB 3.25Å; V107-L111 WeakPolarHBondContact O-CB 3.13Å; V107-L111 PolarHBondContact O-N 3.29Å; Q108-L111 PolarHBondContact O-N 3.38Å; L111-A113 VanDerWaalsContact C-N 3.32Å; L111-A113 PolarHBondContact O-N 3.02Å; L111-A114 PolarHBondContact O-N 2.92Å; L111-D115 VanDerWaalsContact O-CB 3.28Å; L111-D115 WeakPolarHBondContact O-CB 3.22Å; L111-D115 PolarHBondContact O-N 3.18Å; L111-K123 HydrophobicContact CG-CG 4.33Å; L111-C126 HydrophobicContact CB-CB 3.81Å; L111-C126 HydrophobicContact CD1-CB 3.82Å; L111-C126 HydrophobicContact CG-CB 4.12Å; L111-E127 HydrophobicContact CD1-CB 4.47Å; L111-L130 HydrophobicContact CD1-CD1 3.87Å; L111-F145 HydrophobicContact CB-CE1 4.41Å; L111-F145 HydrophobicContact CB-CZ 4.32Å; L111-F145 HydrophobicContact CD1-CE1 4.09Å; L111-F145 HydrophobicContact CD2-CE1 3.8Å; L111-F145 HydrophobicContact CD2-CZ 3.9Å; L111-F145 HydrophobicContact CG-CE1 4.31Å; L111-H149 HydrophobicContact CD2-CB 3.73Å
112Q96.3Very high96.1Very high91 Ų9155 Ų5543%0.42527%0.273SS..Hα-helixtrans-53.9-48.2174.6-7817111.500111.9Q108 D115 L116 F145 H149Q108-Q112 WeakPolarHBondContact O-CB 3.32Å; Q108-Q112 WeakPolarHBondContact O-CG 3.43Å; Q108-Q112 PolarHBondContact O-N 3.47Å; Q112-D115 PolarHBondContact O-N 2.9Å; Q112-L116 WeakPolarHBondContact O-CB 3.46Å; Q112-L116 PolarHBondContact O-N 2.77Å; Q112-F145 HydrophobicContact CG-CE2 4.11Å; Q112-F145 HydrophobicContact CG-CZ 4.28Å; Q112-H149 VanDerWaalsContact CG-CE1 3.45Å; Q112-H149 WeakPolarHBondContact CG-CE1 3.39Å; Q112-H149 WeakPolarHBondContact CG-NE2 3.28Å
113A96Very high96.1Very high1 Ų154.9 Ų54.91%0.00827%0.271CS..Hα-helixtrans-68.3-40.7179.600000112.4L83 I87 L91 S109 L110 L111 D115 L116 L117L83-A113 HydrophobicContact CD2-CB 3.49Å; L83-A113 VanDerWaalsContact CD2-CB 3.49Å; I87-A113 HydrophobicContact CG2-CB 3.4Å; L91-A113 HydrophobicContact CD1-CB 3.87Å; S109-A113 WeakPolarHBondContact O-CB 3.09Å; S109-A113 PolarHBondContact O-N 3.16Å; L110-A113 PolarHBondContact O-N 2.82Å; L111-A113 VanDerWaalsContact C-N 3.32Å; L111-A113 PolarHBondContact O-N 3.02Å; A113-D115 VanDerWaalsContact C-N 3.31Å; A113-L116 PolarHBondContact O-N 3.23Å; A113-L117 VanDerWaalsContact O-CB 3.29Å; A113-L117 WeakPolarHBondContact O-CB 3.29Å; A113-L117 WeakPolarHBondContact O-CG 3.27Å; A113-L117 PolarHBondContact O-N 2.9Å
114A97Very high96.1Very high0 Ų058.7 Ų58.70%028%0.284CS..Hα-helixtrans-65.7-35.7177.200000111.7L91 L110 L111 Q118 F119 V122 K123L91-A114 HydrophobicContact CD2-CB 4.4Å; L110-A114 VanDerWaalsContact O-CB 3.22Å; L110-A114 WeakPolarHBondContact O-CB 3.41Å; L110-A114 PolarHBondContact O-N 3.17Å; L111-A114 PolarHBondContact O-N 2.92Å; A114-Q118 CarbonylContact O-C 3.48Å; A114-Q118 VanDerWaalsContact O-CA 3.24Å; A114-Q118 WeakPolarHBondContact O-CA 3.23Å; A114-Q118 PolarHBondContact O-N 3.46Å; A114-F119 HydrophobicContact CB-CB 4.11Å; A114-F119 PolarHBondContact O-N 2.87Å; A114-V122 HydrophobicContact CB-CB 4.05Å; A114-V122 HydrophobicContact CB-CG1 3.94Å; A114-K123 HydrophobicContact CB-CB 4.16Å
115D96.2Very high96.2Very high47 Ų4752.8 Ų52.825%0.25127%0.265SS..Hα-helixtrans-68.3-51.5174-171.244.8000111.1L111 Q112 A113 L117 Q118 K123 H149L111-D115 VanDerWaalsContact O-CB 3.28Å; L111-D115 WeakPolarHBondContact O-CB 3.22Å; L111-D115 PolarHBondContact O-N 3.18Å; Q112-D115 PolarHBondContact O-N 2.9Å; A113-D115 VanDerWaalsContact C-N 3.31Å; D115-L117 PolarHBondContact O-N 3.07Å; D115-Q118 PolarHBondContact O-N 3.38Å; D115-K123 HydrophobicContact CB-CD 4.13Å; D115-K123 WeakPolarHBondContact OD1-CE 3.42Å; D115-K123 IonicContact OD1-NZ 3.56Å; D115-K123 PolarHBondContact OD1-NZ 3.25Å; D115-H149 IonicContact OD2-CE1 3.9Å; D115-H149 IonicContact OD2-CG 3.76Å; D115-H149 IonicContact OD2-ND1 3.18Å; D115-H149 PolarHBondContact OD2-ND1 3.12Å
116L94.6Very high96.3Very high103 Ų10341.3 Ų41.354%0.53922%0.221SC..Hα-helixtrans-56.8-46.5177.4178.266.1000112.5L83 Q112 A113 Q118L83-L116 HydrophobicContact CD2-CD2 4.38Å; Q112-L116 WeakPolarHBondContact O-CB 3.46Å; Q112-L116 PolarHBondContact O-N 2.77Å; A113-L116 PolarHBondContact O-N 3.23Å; L116-Q118 VanDerWaalsContact C-N 3.32Å
117L94.9Very high96.3Very high1 Ų140.7 Ų40.71%0.00522%0.218CC..THydrogen-bonded Turntrans-907.1179.8-61.1-179.8000112.7S59 Y61 F62 L80 L83 L88 L91 A113 D115 F119S59-L117 WeakPolarHBondContact CB-O 3.37Å; S59-L117 PolarHBondContact OG-O 2.66Å; Y61-L117 VanDerWaalsContact CB-O 3.31Å; Y61-L117 WeakPolarHBondContact CB-O 3.18Å; Y61-L117 HydrophobicContact CD1-CD2 3.67Å; Y61-L117 HydrophobicContact CE1-CD2 3.68Å; Y61-L117 HydrophobicContact CG-CD2 4.37Å; F62-L117 HydrophobicContact CE2-CD1 4.43Å; F62-L117 HydrophobicContact CZ-CD1 4.38Å; F62-L117 HydrophobicContact CZ-CD2 4.18Å; L80-L117 HydrophobicContact CD1-CD2 4.32Å; L80-L117 HydrophobicContact CD2-CD2 4.26Å; L83-L117 HydrophobicContact CD1-CD1 3.7Å; L83-L117 HydrophobicContact CD1-CD2 4.38Å; L83-L117 HydrophobicContact CD1-CG 4.16Å; L88-L117 HydrophobicContact CD1-CD1 3.99Å; L91-L117 HydrophobicContact CD1-CD1 3.95Å; A113-L117 VanDerWaalsContact O-CB 3.29Å; A113-L117 WeakPolarHBondContact O-CB 3.29Å; A113-L117 WeakPolarHBondContact O-CG 3.27Å; A113-L117 PolarHBondContact O-N 2.9Å; D115-L117 PolarHBondContact O-N 3.07Å; L117-F119 VanDerWaalsContact C-N 3.31Å; L117-F119 HydrophobicContact CB-CD2 3.72Å; L117-F119 HydrophobicContact CB-CE2 3.84Å; L117-F119 HydrophobicContact CD1-CE2 4.26Å; L117-F119 PolarHBondContact O-N 3.44Å
118Q95.9Very high96.2Very high93 Ų9345.1 Ų45.144%0.43524%0.238SC..THydrogen-bonded Turntrans50.841.4177.9-56.5-170.9-25.400115.4N60 A114 D115 L116 V120N60-Q118 HydrophobicContact CB-CB 4.03Å; A114-Q118 CarbonylContact O-C 3.48Å; A114-Q118 VanDerWaalsContact O-CA 3.24Å; A114-Q118 WeakPolarHBondContact O-CA 3.23Å; A114-Q118 PolarHBondContact O-N 3.46Å; D115-Q118 PolarHBondContact O-N 3.38Å; L116-Q118 VanDerWaalsContact C-N 3.32Å; Q118-V120 VanDerWaalsContact C-N 3.32Å; Q118-V120 PolarHBondContact O-N 3Å; Q118-V120 VanDerWaalsContact O-N 3.16Å
119F97Very high96.2Very high3 Ų342.3 Ų42.31%0.01322%0.224CC..  trans-80.379.1164.5-76.6-96.5000109.5C58 F62 L91 Y94 A114 L117 S121 V122 K123C58-F119 HydrophobicContact CB-CD1 4.24Å; C58-F119 HydrophobicContact CB-CE1 3.76Å; F62-F119 HydrophobicContact CD2-CE2 4.37Å; F62-F119 HydrophobicContact CD2-CZ 4.46Å; F62-F119 HydrophobicContact CE2-CE2 4Å; F62-F119 HydrophobicContact CE2-CZ 4.24Å; L91-F119 HydrophobicContact CB-CE2 4.29Å; L91-F119 HydrophobicContact CB-CZ 4.3Å; L91-F119 HydrophobicContact CD1-CD2 4.27Å; L91-F119 HydrophobicContact CD1-CE2 4.4Å; L91-F119 HydrophobicContact CD2-CB 4.33Å; L91-F119 HydrophobicContact CD2-CD1 4.47Å; L91-F119 HydrophobicContact CD2-CD2 4.22Å; L91-F119 HydrophobicContact CD2-CG 4.11Å; Y94-F119 AromaticContact CD1-CD1 3.92Å; Y94-F119 HydrophobicContact CD1-CD1 3.92Å; Y94-F119 HydrophobicContact CD1-CE1 4.11Å; Y94-F119 AromaticContact CE1-CD1 3.99Å; Y94-F119 HydrophobicContact CE1-CD1 3.99Å; Y94-F119 HydrophobicContact CE1-CE1 4.46Å; A114-F119 HydrophobicContact CB-CB 4.11Å; A114-F119 PolarHBondContact O-N 2.87Å; L117-F119 VanDerWaalsContact C-N 3.31Å; L117-F119 HydrophobicContact CB-CD2 3.72Å; L117-F119 HydrophobicContact CB-CE2 3.84Å; L117-F119 HydrophobicContact CD1-CE2 4.26Å; L117-F119 PolarHBondContact O-N 3.44Å; F119-S121 VanDerWaalsContact C-N 3.34Å; F119-S121 PolarHBondContact O-N 3.39Å; F119-V122 HydrophobicContact CB-CB 4Å; F119-V122 HydrophobicContact CB-CG2 4.07Å; F119-V122 HydrophobicContact CD1-CG2 4.43Å; F119-V122 PolarHBondContact O-N 2.8Å; F119-V122 VanDerWaalsContact O-N 3.12Å; F119-K123 PolarHBondContact O-N 3.05Å
120V95.6Very high96.2Very high87 Ų8740.6 Ų40.653%0.52721%0.211SC..Hα-helixtrans-56.5-44.6-170.9-178.80000112.6Q118 V122 K123 K124Q118-V120 VanDerWaalsContact C-N 3.32Å; Q118-V120 PolarHBondContact O-N 3Å; Q118-V120 VanDerWaalsContact O-N 3.16Å; V120-V122 PolarHBondContact O-N 2.82Å; V120-K123 PolarHBondContact O-N 3.25Å; V120-K124 PolarHBondContact O-N 3.36Å
121S95.6Very high96.1Very high77 Ų7742.7 Ų42.754%0.53822%0.224SC..Hα-helixtrans-64.1-39.4179.2-540000112.7Y94 F119 K124 A125Y94-S121 WeakPolarHBondContact OH-CB 3.34Å; F119-S121 VanDerWaalsContact C-N 3.34Å; F119-S121 PolarHBondContact O-N 3.39Å; S121-K124 PolarHBondContact O-N 3.03Å; S121-A125 WeakPolarHBondContact O-CB 3.14Å; S121-A125 PolarHBondContact O-N 2.84Å
122V97.1Very high95.8Very high1 Ų145 Ų451%0.00623%0.233CC..Hα-helixtrans-70.2-41.9178.11800000110.5L91 Y94 I100 L110 A114 F119 V120 K124 A125 C126L91-V122 HydrophobicContact CD2-CB 4.27Å; L91-V122 HydrophobicContact CD2-CG1 3.85Å; L91-V122 HydrophobicContact CD2-CG2 4.21Å; Y94-V122 HydrophobicContact CD1-CG2 3.6Å; Y94-V122 HydrophobicContact CD2-CG2 3.99Å; Y94-V122 HydrophobicContact CE1-CG2 3.55Å; Y94-V122 HydrophobicContact CE2-CG2 3.93Å; Y94-V122 HydrophobicContact CG-CG2 3.83Å; I100-V122 HydrophobicContact CD1-CG1 3.85Å; I100-V122 HydrophobicContact CD1-CG2 4.49Å; I100-V122 HydrophobicContact CG2-CG1 4.48Å; L110-V122 HydrophobicContact CD1-CG1 4.2Å; L110-V122 HydrophobicContact CD2-CG1 4.33Å; L110-V122 HydrophobicContact CG-CG1 4.14Å; A114-V122 HydrophobicContact CB-CB 4.05Å; A114-V122 HydrophobicContact CB-CG1 3.94Å; F119-V122 HydrophobicContact CB-CB 4Å; F119-V122 HydrophobicContact CB-CG2 4.07Å; F119-V122 HydrophobicContact CD1-CG2 4.43Å; F119-V122 PolarHBondContact O-N 2.8Å; F119-V122 VanDerWaalsContact O-N 3.12Å; V120-V122 PolarHBondContact O-N 2.82Å; V122-K124 VanDerWaalsContact C-N 3.35Å; V122-K124 PolarHBondContact O-N 2.95Å; V122-A125 PolarHBondContact O-N 2.74Å; V122-C126 PolarHBondContact O-N 3.39Å; V122-C126 PolarHBondContact O-SG 3.32Å
123K97.1Very high95.6Very high35 Ų3543.6 Ų43.615%0.15223%0.226CC..Hα-helixtrans-55.9-49.9174.2-179.2-177.5176.9177.90110.7L111 A114 D115 F119 V120 A125 C126 E127 H149 C151L111-K123 HydrophobicContact CG-CG 4.33Å; A114-K123 HydrophobicContact CB-CB 4.16Å; D115-K123 HydrophobicContact CB-CD 4.13Å; D115-K123 WeakPolarHBondContact OD1-CE 3.42Å; D115-K123 IonicContact OD1-NZ 3.56Å; D115-K123 PolarHBondContact OD1-NZ 3.25Å; F119-K123 PolarHBondContact O-N 3.05Å; V120-K123 PolarHBondContact O-N 3.25Å; K123-A125 PolarHBondContact O-N 3.23Å; K123-C126 PolarHBondContact O-N 3.26Å; K123-E127 WeakPolarHBondContact O-CB 3.35Å; K123-E127 PolarHBondContact O-N 3.33Å; K123-H149 VanDerWaalsContact CE-O 3.32Å; K123-H149 WeakPolarHBondContact CE-O 3.45Å; K123-H149 PolarHBondContact NZ-O 2.83Å; K123-C151 VanDerWaalsContact CE-SG 3.56Å
124K95.9Very high95.4Very high125 Ų12544.7 Ų44.754%0.54323%0.232SC..Hα-helixtrans-61.3-41177.9-172174.4-177.2175.20112.6V120 S121 V122 E127 Q128V120-K124 PolarHBondContact O-N 3.36Å; S121-K124 PolarHBondContact O-N 3.03Å; V122-K124 VanDerWaalsContact C-N 3.35Å; V122-K124 PolarHBondContact O-N 2.95Å; K124-E127 WeakPolarHBondContact O-CB 3.32Å; K124-E127 PolarHBondContact O-N 2.99Å; K124-Q128 VanDerWaalsContact O-CG 3.32Å; K124-Q128 WeakPolarHBondContact O-CG 3.26Å; K124-Q128 PolarHBondContact O-N 3.47Å
125A96.1Very high95Very high32 Ų3247.8 Ų47.826%0.26425%0.248SC..Hα-helixtrans-64.9-39.417600000112.2I102 S121 V122 K123 F129I102-A125 HydrophobicContact CD1-CB 3.75Å; S121-A125 WeakPolarHBondContact O-CB 3.14Å; S121-A125 PolarHBondContact O-N 2.84Å; V122-A125 PolarHBondContact O-N 2.74Å; K123-A125 PolarHBondContact O-N 3.23Å; A125-F129 WeakPolarHBondContact O-CB 3.41Å; A125-F129 PolarHBondContact O-N 3.12Å
126C97.5Very high94.7Very high0 Ų046.8 Ų46.80%024%0.244CC..Hα-helixtrans-66.2-41.3174.7-65.10000111.7V107 L111 V122 K123 F129 L130V107-C126 HydrophobicContact CG2-CB 3.85Å; L111-C126 HydrophobicContact CB-CB 3.81Å; L111-C126 HydrophobicContact CD1-CB 3.82Å; L111-C126 HydrophobicContact CG-CB 4.12Å; V122-C126 PolarHBondContact O-N 3.39Å; V122-C126 PolarHBondContact O-SG 3.32Å; K123-C126 PolarHBondContact O-N 3.26Å; C126-F129 WeakPolarHBondContact O-CB 3.24Å; C126-F129 PolarHBondContact O-N 2.85Å; C126-L130 WeakPolarHBondContact O-CG 3.2Å; C126-L130 PolarHBondContact O-N 2.93Å
127E96.6Very high94.5Very high19 Ų1946 Ų469%0.08924%0.24CC..Hα-helixtrans-58.6-49.5175.6-173.6-178.9-161.800111.3L111 K123 K124 F129 L130 V131 C151 S152 E153 L154L111-E127 HydrophobicContact CD1-CB 4.47Å; K123-E127 WeakPolarHBondContact O-CB 3.35Å; K123-E127 PolarHBondContact O-N 3.33Å; K124-E127 WeakPolarHBondContact O-CB 3.32Å; K124-E127 PolarHBondContact O-N 2.99Å; E127-F129 VanDerWaalsContact C-N 3.31Å; E127-F129 PolarHBondContact O-N 2.84Å; E127-L130 PolarHBondContact O-N 2.83Å; E127-L130 VanDerWaalsContact O-N 3.14Å; E127-V131 WeakPolarHBondContact O-CG2 3.38Å; E127-V131 PolarHBondContact O-N 3.1Å; E127-C151 HydrophobicContact CG-CB 4.03Å; E127-C151 VanDerWaalsContact OE1-CA 3.3Å; E127-C151 WeakPolarHBondContact OE1-CA 3.48Å; E127-C151 WeakPolarHBondContact OE1-CB 3.28Å; E127-S152 PolarHBondContact OE1-N 2.98Å; E127-E153 WeakPolarHBondContact OE1-CB 3.38Å; E127-E153 PolarHBondContact OE1-N 2.88Å; E127-L154 HydrophobicContact CG-CB 3.81Å; E127-L154 PolarHBondContact OE1-N 3.5Å; E127-L154 VanDerWaalsContact OE1-N 3.12Å
128Q94.6Very high94.3Very high96 Ų9647.8 Ų47.845%0.44925%0.25SC..Hα-helixtrans-60.3-40.6176.4-71.1176.6-20.800112K124 L130 V131 R132 L392K124-Q128 VanDerWaalsContact O-CG 3.32Å; K124-Q128 WeakPolarHBondContact O-CG 3.26Å; K124-Q128 PolarHBondContact O-N 3.47Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.18Å; Q128-V131 PolarHBondContact O-N 3.17Å; Q128-R132 WeakPolarHBondContact O-CB 3.38Å; Q128-R132 PolarHBondContact O-N 2.82Å; Q128-L392 HydrophobicContact CB-CD2 3.59Å
129F95.9Very high94.1Very high30 Ų3043.4 Ų43.413%0.13223%0.229CC..Hα-helixtrans-62.2-40.6175.4-175.1-85.6000112.4I102 K104 V107 A125 C126 E127 R132 H133 L392I102-F129 HydrophobicContact CB-CD2 4.3Å; I102-F129 HydrophobicContact CB-CG 4.44Å; I102-F129 HydrophobicContact CG2-CB 3.87Å; I102-F129 HydrophobicContact CG2-CD1 3.83Å; I102-F129 HydrophobicContact CG2-CD2 3.88Å; I102-F129 HydrophobicContact CG2-CE1 4.34Å; I102-F129 HydrophobicContact CG2-CE2 4.39Å; I102-F129 HydrophobicContact CG2-CG 3.57Å; K104-F129 HydrophobicContact CG-CE1 4.18Å; K104-F129 HydrophobicContact CG-CZ 4.21Å; V107-F129 HydrophobicContact CB-CD1 4.05Å; V107-F129 HydrophobicContact CB-CE1 4.37Å; V107-F129 HydrophobicContact CG1-CD1 4.18Å; V107-F129 HydrophobicContact CG1-CE1 4.26Å; V107-F129 HydrophobicContact CG2-CB 4.42Å; V107-F129 HydrophobicContact CG2-CD1 3.86Å; V107-F129 HydrophobicContact CG2-CG 4.48Å; A125-F129 WeakPolarHBondContact O-CB 3.41Å; A125-F129 PolarHBondContact O-N 3.12Å; C126-F129 WeakPolarHBondContact O-CB 3.24Å; C126-F129 PolarHBondContact O-N 2.85Å; E127-F129 VanDerWaalsContact C-N 3.31Å; E127-F129 PolarHBondContact O-N 2.84Å; F129-R132 PolarHBondContact O-N 2.82Å; F129-H133 AromaticContact CD1-CD2 3.9Å; F129-H133 AromaticContact CE1-CD2 3.48Å; F129-H133 VanDerWaalsContact CE1-CD2 3.48Å; F129-H133 WeakPolarHBondContact CE1-CD2 3.28Å; F129-H133 AromaticContact CE2-CD2 3.92Å; F129-H133 AromaticContact CE2-NE2 3.79Å; F129-H133 AromaticContact CZ-CD2 3.48Å; F129-H133 VanDerWaalsContact CZ-CD2 3.48Å; F129-H133 WeakPolarHBondContact CZ-CD2 3.46Å; F129-H133 AromaticContact CZ-NE2 3.53Å; F129-H133 PolarHBondContact O-CD2 3.06Å; F129-H133 PolarHBondContact O-N 3.01Å; F129-L392 HydrophobicContact CD2-CD1 4.2Å
130L96Very high93.8Very high12 Ų1243.6 Ų43.66%0.06323%0.23CC..Hα-helixtrans-66.3-46176-71.8171.5000111.1V107 L111 C126 E127 Q128 R132 H133 L134 M142 F145 L154V107-L130 HydrophobicContact CB-CD2 4.45Å; V107-L130 HydrophobicContact CG1-CD2 3.61Å; V107-L130 HydrophobicContact CG1-CG 4.35Å; V107-L130 HydrophobicContact CG2-CD1 4.24Å; V107-L130 HydrophobicContact CG2-CD2 3.98Å; V107-L130 HydrophobicContact CG2-CG 3.76Å; L111-L130 HydrophobicContact CD1-CD1 3.87Å; C126-L130 WeakPolarHBondContact O-CG 3.2Å; C126-L130 PolarHBondContact O-N 2.93Å; E127-L130 PolarHBondContact O-N 2.83Å; E127-L130 VanDerWaalsContact O-N 3.14Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.18Å; L130-R132 VanDerWaalsContact C-N 3.27Å; L130-R132 PolarHBondContact O-N 3.5Å; L130-H133 CarbonylContact O-C 3.59Å; L130-H133 WeakPolarHBondContact O-CA 3.26Å; L130-H133 PolarHBondContact O-N 2.81Å; L130-L134 PolarHBondContact O-N 2.71Å; L130-M142 HydrophobicContact CD2-SD 3.95Å; L130-F145 HydrophobicContact CD1-CD1 4.23Å; L130-F145 HydrophobicContact CD1-CE1 3.84Å; L130-L154 HydrophobicContact CB-CD1 3.67Å; L130-L154 HydrophobicContact CB-CD2 3.99Å; L130-L154 HydrophobicContact CB-CG 4.5Å; L130-L154 HydrophobicContact CD1-CD2 3.68Å; L130-L154 HydrophobicContact CG-CD2 4.48Å
131V94Very high93.6Very high44 Ų4440.6 Ų40.627%0.26722%0.217SC..Hα-helixtrans-54.3-45.3175.4166.90000111.3E127 Q128 H133 L134 L154 E157E127-V131 WeakPolarHBondContact O-CG2 3.38Å; E127-V131 PolarHBondContact O-N 3.1Å; Q128-V131 PolarHBondContact O-N 3.17Å; V131-H133 PolarHBondContact O-N 3.23Å; V131-H133 VanDerWaalsContact O-N 3.17Å; V131-L134 PolarHBondContact O-N 3.33Å; V131-L154 HydrophobicContact CG2-CB 4.21Å; V131-L154 HydrophobicContact CG2-CD1 3.84Å; V131-E157 HydrophobicContact CG1-CB 4.2Å; V131-E157 HydrophobicContact CG1-CG 3.78Å; V131-E157 HydrophobicContact CG2-CB 4.28Å; V131-E157 HydrophobicContact CG2-CG 4.14Å
132R92.1Very high93.5Very high49 Ų4937.9 Ų37.919%0.18520%0.196CC..Hα-helixtrans-60.2-24.7178175.465.8-17367.6-6.8113.5Q128 F129 L130 G368 G369 C370 L392Q128-R132 WeakPolarHBondContact O-CB 3.38Å; Q128-R132 PolarHBondContact O-N 2.82Å; F129-R132 PolarHBondContact O-N 2.82Å; L130-R132 VanDerWaalsContact C-N 3.27Å; L130-R132 PolarHBondContact O-N 3.5Å; R132-G368 PolarHBondContact NH1-O 3.03Å; R132-G368 PolarHBondContact NH2-O 2.92Å; R132-G369 VanDerWaalsContact CD-O 3.24Å; R132-G369 WeakPolarHBondContact CD-O 3.17Å; R132-G369 PolarHBondContact NE-O 3.07Å; R132-C370 PolarHBondContact NH2-SG 2.68Å; R132-L392 HydrophobicContact CB-CD1 3.61Å; R132-L392 HydrophobicContact CB-CD2 4.32Å; R132-L392 HydrophobicContact CB-CG 3.97Å; R132-L392 HydrophobicContact CG-CD1 3.52Å; R132-L392 HydrophobicContact CG-CG 3.96Å
133H91.7Very high93.3Very high61 Ų6138.1 Ų38.128%0.28220%0.197SC..THydrogen-bonded Turntrans-114.414-176.5-75.4-61.3000113.3K104 F129 L130 V131 N138K104-H133 WeakPolarHBondContact CE-ND1 3.37Å; F129-H133 AromaticContact CD1-CD2 3.9Å; F129-H133 AromaticContact CE1-CD2 3.48Å; F129-H133 VanDerWaalsContact CE1-CD2 3.48Å; F129-H133 WeakPolarHBondContact CE1-CD2 3.28Å; F129-H133 AromaticContact CE2-CD2 3.92Å; F129-H133 AromaticContact CE2-NE2 3.79Å; F129-H133 AromaticContact CZ-CD2 3.48Å; F129-H133 VanDerWaalsContact CZ-CD2 3.48Å; F129-H133 WeakPolarHBondContact CZ-CD2 3.46Å; F129-H133 AromaticContact CZ-NE2 3.53Å; F129-H133 PolarHBondContact O-CD2 3.06Å; F129-H133 PolarHBondContact O-N 3.01Å; L130-H133 CarbonylContact O-C 3.59Å; L130-H133 WeakPolarHBondContact O-CA 3.26Å; L130-H133 PolarHBondContact O-N 2.81Å; V131-H133 PolarHBondContact O-N 3.23Å; V131-H133 VanDerWaalsContact O-N 3.17Å; H133-N138 PolarHBondContact O-ND2 2.92Å
134L91.3Very high93Very high23 Ų2339 Ų3912%0.1221%0.208CC..  trans-66.3139.7170.9-76.6170.7000110.6L130 V131 N138 M142 L154 E157 I161L130-L134 PolarHBondContact O-N 2.71Å; V131-L134 PolarHBondContact O-N 3.33Å; L134-N138 WeakPolarHBondContact CA-OD1 3.12Å; L134-M142 HydrophobicContact CD2-CB 3.5Å; L134-M142 VanDerWaalsContact CD2-CB 3.5Å; L134-M142 HydrophobicContact CD2-CG 3.64Å; L134-L154 HydrophobicContact CD1-CD1 3.98Å; L134-L154 HydrophobicContact CD2-CD1 4.02Å; L134-L154 HydrophobicContact CG-CD1 4.09Å; L134-E157 HydrophobicContact CD1-CB 3.6Å; L134-I161 HydrophobicContact CB-CD1 3.44Å; L134-I161 VanDerWaalsContact CB-CD1 3.44Å; L134-I161 HydrophobicContact CD1-CD1 4.12Å; L134-I161 HydrophobicContact CG-CD1 4.38Å
135D89.5Confident92.9Very high66 Ų6634.3 Ų34.335%0.35319%0.187SC..  trans-145.5178174.75739.9000109.9D137 N138 C139D135-D137 PolarHBondContact O-N 2.84Å; D135-D137 WeakPolarHBondContact OD1-CA 3.33Å; D135-D137 WeakPolarHBondContact OD1-CB 3.29Å; D135-D137 PolarHBondContact OD1-N 3.31Å; D135-N138 PolarHBondContact N-OD1 2.95Å; D135-N138 WeakPolarHBondContact OD1-CB 3.42Å; D135-N138 PolarHBondContact OD1-N 2.73Å; D135-N138 PolarHBondContact OD1-ND2 2.99Å; D135-N138 PolarHBondContact OD2-ND2 3.49Å; D135-C139 VanDerWaalsContact O-CB 3.26Å; D135-C139 WeakPolarHBondContact O-CB 3.38Å; D135-C139 PolarHBondContact O-N 3.19Å; D135-C139 VanDerWaalsContact O-N 3.12Å
136T89.1Confident92.8Very high26 Ų2632.8 Ų32.816%0.1618%0.175CC..THydrogen-bonded Turntrans-61.7-26.9177.9490000113.3C139 Q165 D168 V169T136-C139 PolarHBondContact O-SG 3.04Å; T136-Q165 HydrophobicContact CG2-CB 3.71Å; T136-Q165 HydrophobicContact CG2-CG 4.26Å; T136-D168 HydrophobicContact CG2-CB 4.19Å; T136-V169 HydrophobicContact CG2-CG2 4.29Å
137D90.4Very high92.6Very high85 Ų8537.5 Ų37.546%0.45520%0.197SC..THydrogen-bonded Turntrans-83.7-32.1-171.2-57.8-13.1000111D135 Q172D135-D137 PolarHBondContact O-N 2.84Å; D135-D137 WeakPolarHBondContact OD1-CA 3.33Å; D135-D137 WeakPolarHBondContact OD1-CB 3.29Å; D135-D137 PolarHBondContact OD1-N 3.31Å; D137-Q172 PolarHBondContact OD1-NE2 2.77Å
138N91.3Very high92.4Very high40 Ų4045.4 Ų45.421%0.21423%0.227CC..THydrogen-bonded Turntrans-108.3-7.5-175.872.940.7000114.8H133 L134 D135 I140 G141 M142H133-N138 PolarHBondContact O-ND2 2.92Å; L134-N138 WeakPolarHBondContact CA-OD1 3.12Å; D135-N138 PolarHBondContact N-OD1 2.95Å; D135-N138 WeakPolarHBondContact OD1-CB 3.42Å; D135-N138 PolarHBondContact OD1-N 2.73Å; D135-N138 PolarHBondContact OD1-ND2 2.99Å; D135-N138 PolarHBondContact OD2-ND2 3.49Å; N138-I140 VanDerWaalsContact C-N 3.31Å; N138-I140 PolarHBondContact O-N 3.22Å; N138-G141 PolarHBondContact O-N 2.99Å; N138-M142 HydrophobicContact CB-CG 4.43Å; N138-M142 WeakPolarHBondContact O-CB 3.42Å; N138-M142 WeakPolarHBondContact O-CG 3.35Å; N138-M142 PolarHBondContact O-N 3.38Å
139C91.6Very high92.4Very high0 Ų041.2 Ų41.20%021%0.208CC..Hα-helixtrans-59.3-37-172.364.40000113.8D135 T136 H143 I161D135-C139 VanDerWaalsContact O-CB 3.26Å; D135-C139 WeakPolarHBondContact O-CB 3.38Å; D135-C139 PolarHBondContact O-N 3.19Å; D135-C139 VanDerWaalsContact O-N 3.12Å; T136-C139 PolarHBondContact O-SG 3.04Å; C139-H143 WeakPolarHBondContact O-CB 3.4Å; C139-H143 PolarHBondContact O-N 3.44Å; C139-I161 HydrophobicContact CB-CB 4.36Å; C139-I161 HydrophobicContact CB-CG2 3.98Å
140I90.4Very high92.3Very high8 Ų846.2 Ų46.24%0.04124%0.236CC..Hα-helixtrans-66.6-52.1-178.8-63.8161.6000110.2N138 H143 S144 L162 V169 E174 F175 I178N138-I140 VanDerWaalsContact C-N 3.31Å; N138-I140 PolarHBondContact O-N 3.22Å; I140-H143 PolarHBondContact O-N 3.37Å; I140-S144 PolarHBondContact O-N 2.71Å; I140-S144 VanDerWaalsContact O-N 3.15Å; I140-S144 PolarHBondContact O-OG 3.38Å; I140-L162 HydrophobicContact CG1-CD1 4.24Å; I140-V169 HydrophobicContact CD1-CG1 3.59Å; I140-V169 HydrophobicContact CG1-CG1 3.81Å; I140-E174 HydrophobicContact CD1-CB 4.34Å; I140-F175 HydrophobicContact CD1-CB 3.98Å; I140-F175 HydrophobicContact CD1-CD2 4.3Å; I140-I178 HydrophobicContact CD1-CD1 3.93Å; I140-I178 HydrophobicContact CG1-CD1 4.09Å; I140-I178 HydrophobicContact CG2-CD1 3.73Å; I140-I178 HydrophobicContact CG2-CG1 3.64Å
141G91.1Very high92.3Very high24 Ų2445.8 Ų45.825%0.24723%0.233CC..Hα-helixtrans-59.4-44.7175.700000112.3N138 H143 S144 F145 E174N138-G141 PolarHBondContact O-N 2.99Å; G141-H143 VanDerWaalsContact C-N 3.33Å; G141-H143 PolarHBondContact O-N 2.87Å; G141-S144 PolarHBondContact O-N 2.85Å; G141-F145 VanDerWaalsContact O-CB 3.3Å; G141-F145 WeakPolarHBondContact O-CB 3.41Å; G141-F145 PolarHBondContact O-N 2.98Å; G141-E174 PolarHBondContact N-OE2 3.27Å
142M94Very high92.2Very high20 Ų2047 Ų4710%0.09924%0.244CC..Hα-helixtrans-65.1-35178.4-70.5-47.9107.800112.8L130 L134 N138 F145 A146 L154L130-M142 HydrophobicContact CD2-SD 3.95Å; L134-M142 HydrophobicContact CD2-CB 3.5Å; L134-M142 VanDerWaalsContact CD2-CB 3.5Å; L134-M142 HydrophobicContact CD2-CG 3.64Å; N138-M142 HydrophobicContact CB-CG 4.43Å; N138-M142 WeakPolarHBondContact O-CB 3.42Å; N138-M142 WeakPolarHBondContact O-CG 3.35Å; N138-M142 PolarHBondContact O-N 3.38Å; M142-F145 PolarHBondContact O-N 2.99Å; M142-A146 VanDerWaalsContact O-CB 3.25Å; M142-A146 WeakPolarHBondContact O-CB 3.5Å; M142-A146 PolarHBondContact O-N 3.2Å; M142-L154 HydrophobicContact CB-CD1 4.43Å
143H92.4Very high92.2Very high6 Ų648.5 Ų48.53%0.02825%0.253CS..Hα-helixtrans-63.5-50174.2-172.4100.6000111.1C139 I140 G141 F145 A146 E147 E155 S158 K182C139-H143 WeakPolarHBondContact O-CB 3.4Å; C139-H143 PolarHBondContact O-N 3.44Å; I140-H143 PolarHBondContact O-N 3.37Å; G141-H143 VanDerWaalsContact C-N 3.33Å; G141-H143 PolarHBondContact O-N 2.87Å; H143-F145 VanDerWaalsContact C-N 3.26Å; H143-F145 PolarHBondContact O-N 2.82Å; H143-A146 WeakPolarHBondContact O-CB 3.48Å; H143-A146 PolarHBondContact O-N 3.46Å; H143-A146 VanDerWaalsContact O-N 3.13Å; H143-E147 VanDerWaalsContact CD2-CD 3.43Å; H143-E147 IonicContact CD2-OE1 2.71Å; H143-E147 IonicContact CD2-OE2 3.07Å; H143-E147 PolarHBondContact CD2-OE2 3.47Å; H143-E147 VanDerWaalsContact CD2-OE2 3.28Å; H143-E147 IonicContact NE2-OE1 2.74Å; H143-E147 IonicContact NE2-OE2 2.81Å; H143-E147 WeakPolarHBondContact O-CG 3.32Å; H143-E147 PolarHBondContact O-N 2.95Å; H143-E155 IonicContact CE1-OE1 3.58Å; H143-E155 PolarHBondContact CE1-OE1 2.84Å; H143-E155 PolarHBondContact ND1-O 3.07Å; H143-E155 IonicContact NE2-OE1 2.75Å; H143-S158 VanDerWaalsContact CA-OG 3.24Å; H143-S158 WeakPolarHBondContact CA-OG 3.33Å; H143-S158 VanDerWaalsContact CB-OG 3.25Å; H143-S158 WeakPolarHBondContact CB-OG 3.09Å; H143-S158 PolarHBondContact ND1-OG 2.75Å; H143-K182 VanDerWaalsContact CD2-CE 3.44Å; H143-K182 WeakPolarHBondContact CD2-CE 3.5Å; H143-K182 PolarHBondContact CD2-NZ 2.96Å
144S90.9Very high92.4Very high53 Ų5345.6 Ų45.637%0.37124%0.24SC..Hα-helixtrans-60.3-38.9177.1-56.10000111.8I140 G141 Y148 K182I140-S144 PolarHBondContact O-N 2.71Å; I140-S144 VanDerWaalsContact O-N 3.15Å; I140-S144 PolarHBondContact O-OG 3.38Å; G141-S144 PolarHBondContact O-N 2.85Å; S144-Y148 PolarHBondContact O-N 3.34Å; S144-Y148 VanDerWaalsContact O-N 3.1Å; S144-K182 PolarHBondContact OG-NZ 3.26Å
145F93.8Very high92.5Very high26 Ų2646.7 Ų46.711%0.11424%0.244CC..Hα-helixtrans-64.9-39.7176.2-176.8-101.7000112.1Q108 L111 Q112 L130 G141 M142 H143 Y148 H149 L154Q108-F145 HydrophobicContact CB-CE2 4.36Å; Q108-F145 HydrophobicContact CB-CZ 4.12Å; Q108-F145 HydrophobicContact CG-CZ 4.32Å; L111-F145 HydrophobicContact CB-CE1 4.41Å; L111-F145 HydrophobicContact CB-CZ 4.32Å; L111-F145 HydrophobicContact CD1-CE1 4.09Å; L111-F145 HydrophobicContact CD2-CE1 3.8Å; L111-F145 HydrophobicContact CD2-CZ 3.9Å; L111-F145 HydrophobicContact CG-CE1 4.31Å; Q112-F145 HydrophobicContact CG-CE2 4.11Å; Q112-F145 HydrophobicContact CG-CZ 4.28Å; L130-F145 HydrophobicContact CD1-CD1 4.23Å; L130-F145 HydrophobicContact CD1-CE1 3.84Å; G141-F145 VanDerWaalsContact O-CB 3.3Å; G141-F145 WeakPolarHBondContact O-CB 3.41Å; G141-F145 PolarHBondContact O-N 2.98Å; M142-F145 PolarHBondContact O-N 2.99Å; H143-F145 VanDerWaalsContact C-N 3.26Å; H143-F145 PolarHBondContact O-N 2.82Å; F145-Y148 PolarHBondContact O-N 2.81Å; F145-H149 AromaticContact CD2-CD2 3.74Å; F145-H149 AromaticContact CE1-CD2 3.93Å; F145-H149 AromaticContact CE2-CD2 3.4Å; F145-H149 WeakPolarHBondContact CE2-CD2 3.46Å; F145-H149 AromaticContact CE2-NE2 3.43Å; F145-H149 WeakPolarHBondContact CE2-NE2 3.44Å; F145-H149 AromaticContact CZ-CD2 3.5Å; F145-H149 VanDerWaalsContact CZ-CD2 3.5Å; F145-H149 WeakPolarHBondContact CZ-CD2 3.32Å; F145-H149 AromaticContact CZ-NE2 3.79Å; F145-H149 PolarHBondContact O-CD2 2.97Å; F145-H149 PolarHBondContact O-N 2.95Å; F145-H149 VanDerWaalsContact O-N 3.1Å; F145-L154 HydrophobicContact CD1-CD2 4.21Å
146A95.3Very high92.6Very high0 Ų046 Ų460%024%0.238CC..Hα-helixtrans-67.1-42.3177.400000112.4M142 H143 H149 N150 C151 L154 E155M142-A146 VanDerWaalsContact O-CB 3.25Å; M142-A146 WeakPolarHBondContact O-CB 3.5Å; M142-A146 PolarHBondContact O-N 3.2Å; H143-A146 WeakPolarHBondContact O-CB 3.48Å; H143-A146 PolarHBondContact O-N 3.46Å; H143-A146 VanDerWaalsContact O-N 3.13Å; A146-H149 CarbonylContact O-C 3.43Å; A146-H149 PolarHBondContact O-N 3.38Å; A146-N150 WeakPolarHBondContact O-CA 3.48Å; A146-N150 PolarHBondContact O-N 3.36Å; A146-C151 HydrophobicContact CB-CB 4.12Å; A146-C151 PolarHBondContact O-N 3.33Å; A146-L154 HydrophobicContact CB-CB 3.87Å; A146-L154 HydrophobicContact CB-CD2 3.92Å; A146-L154 HydrophobicContact CB-CG 3.81Å; A146-E155 HydrophobicContact CB-CB 3.79Å
147E92Very high92.7Very high100 Ų10045.8 Ų45.847%0.46724%0.235SC..Hα-helixtrans-59.1-47.2174.1-69.8175.7118.800110.8H143 H149 N150 E155 K182H143-E147 VanDerWaalsContact CD2-CD 3.43Å; H143-E147 IonicContact CD2-OE1 2.71Å; H143-E147 IonicContact CD2-OE2 3.07Å; H143-E147 PolarHBondContact CD2-OE2 3.47Å; H143-E147 VanDerWaalsContact CD2-OE2 3.28Å; H143-E147 IonicContact NE2-OE1 2.74Å; H143-E147 IonicContact NE2-OE2 2.81Å; H143-E147 WeakPolarHBondContact O-CG 3.32Å; H143-E147 PolarHBondContact O-N 2.95Å; E147-H149 VanDerWaalsContact C-N 3.34Å; E147-H149 PolarHBondContact O-N 3.48Å; E147-N150 PolarHBondContact O-N 3.23Å; E147-E155 HydrophobicContact CG-CG 4.25Å; E147-K182 IonicContact OE2-NZ 2.6Å; E147-K182 PolarHBondContact OE2-NZ 3.01Å
148Y93.2Very high92.8Very high184 Ų18441.7 Ų41.772%0.72221%0.213SC*.Hα-helixtrans-62.7-39.2-179.3-176.1-97.8000112.8S144 F145S144-Y148 PolarHBondContact O-N 3.34Å; S144-Y148 VanDerWaalsContact O-N 3.1Å; F145-Y148 PolarHBondContact O-N 2.81Å
149H94.4Very high92.7Very high9 Ų941.4 Ų41.44%0.04221%0.209CC..Hα-helixtrans-94.44.7-179.5-72.7-63.4000114.5L111 Q112 D115 K123 F145 A146 E147 C151L111-H149 HydrophobicContact CD2-CB 3.73Å; Q112-H149 VanDerWaalsContact CG-CE1 3.45Å; Q112-H149 WeakPolarHBondContact CG-CE1 3.39Å; Q112-H149 WeakPolarHBondContact CG-NE2 3.28Å; D115-H149 IonicContact OD2-CE1 3.9Å; D115-H149 IonicContact OD2-CG 3.76Å; D115-H149 IonicContact OD2-ND1 3.18Å; D115-H149 PolarHBondContact OD2-ND1 3.12Å; K123-H149 VanDerWaalsContact CE-O 3.32Å; K123-H149 WeakPolarHBondContact CE-O 3.45Å; K123-H149 PolarHBondContact NZ-O 2.83Å; F145-H149 AromaticContact CD2-CD2 3.74Å; F145-H149 AromaticContact CE1-CD2 3.93Å; F145-H149 AromaticContact CE2-CD2 3.4Å; F145-H149 WeakPolarHBondContact CE2-CD2 3.46Å; F145-H149 AromaticContact CE2-NE2 3.43Å; F145-H149 WeakPolarHBondContact CE2-NE2 3.44Å; F145-H149 AromaticContact CZ-CD2 3.5Å; F145-H149 VanDerWaalsContact CZ-CD2 3.5Å; F145-H149 WeakPolarHBondContact CZ-CD2 3.32Å; F145-H149 AromaticContact CZ-NE2 3.79Å; F145-H149 PolarHBondContact O-CD2 2.97Å; F145-H149 PolarHBondContact O-N 2.95Å; F145-H149 VanDerWaalsContact O-N 3.1Å; A146-H149 CarbonylContact O-C 3.43Å; A146-H149 PolarHBondContact O-N 3.38Å; E147-H149 VanDerWaalsContact C-N 3.34Å; E147-H149 PolarHBondContact O-N 3.48Å; H149-C151 VanDerWaalsContact C-N 3.31Å; H149-C151 PolarHBondContact O-N 2.78Å
150N94.4Very high92.5Very high135 Ų13542.1 Ų42.172%0.72221%0.212SC*.THydrogen-bonded Turntrans50.748.9-174-58.9-72.1000112.7A146 E147A146-N150 WeakPolarHBondContact O-CA 3.48Å; A146-N150 PolarHBondContact O-N 3.36Å; E147-N150 PolarHBondContact O-N 3.23Å
151C95Very high92.3Very high2 Ų243 Ų431%0.01422%0.217CC..  trans-96.692.1174.2-66.80000109.1K123 E127 A146 H149 E153 L154 E155K123-C151 VanDerWaalsContact CE-SG 3.56Å; E127-C151 HydrophobicContact CG-CB 4.03Å; E127-C151 VanDerWaalsContact OE1-CA 3.3Å; E127-C151 WeakPolarHBondContact OE1-CA 3.48Å; E127-C151 WeakPolarHBondContact OE1-CB 3.28Å; A146-C151 HydrophobicContact CB-CB 4.12Å; A146-C151 PolarHBondContact O-N 3.33Å; H149-C151 VanDerWaalsContact C-N 3.31Å; H149-C151 PolarHBondContact O-N 2.78Å; C151-E153 PolarHBondContact O-N 3.48Å; C151-L154 HydrophobicContact CB-CB 4.04Å; C151-L154 PolarHBondContact O-N 3.29Å; C151-E155 WeakPolarHBondContact O-CB 3.41Å; C151-E155 PolarHBondContact O-N 2.74Å
152S92.8Very high92.1Very high70 Ų7042.2 Ų42.249%0.4921%0.206SC..Hα-helixtrans-65.9-36.6-170.558.50000114E127 K156E127-S152 PolarHBondContact OE1-N 2.98Å; S152-K156 VanDerWaalsContact O-CG 3.31Å; S152-K156 WeakPolarHBondContact O-CG 3.48Å; S152-K156 PolarHBondContact O-N 3.43Å; S152-K156 VanDerWaalsContact O-N 3.14Å
153E92.3Very high91.5Very high80 Ų8041.3 Ų41.337%0.37420%0.202SC..Hα-helixtrans-74.2-41.7-178.7-59.4-63.9118.800109.8E127 C151 E155 K156 E157E127-E153 WeakPolarHBondContact OE1-CB 3.38Å; E127-E153 PolarHBondContact OE1-N 2.88Å; C151-E153 PolarHBondContact O-N 3.48Å; E153-E155 VanDerWaalsContact C-N 3.34Å; E153-E155 PolarHBondContact O-N 3.35Å; E153-K156 PolarHBondContact O-N 2.96Å; E153-E157 VanDerWaalsContact O-CG 3.32Å; E153-E157 WeakPolarHBondContact O-CG 3.25Å; E153-E157 PolarHBondContact O-N 2.83Å
154L95.3Very high90.8Very high0 Ų047.5 Ų47.50%023%0.225CC..Hα-helixtrans-64.4-38.7176.3-17665.5000112.3E127 L130 V131 L134 M142 F145 A146 C151 S158E127-L154 HydrophobicContact CG-CB 3.81Å; E127-L154 PolarHBondContact OE1-N 3.5Å; E127-L154 VanDerWaalsContact OE1-N 3.12Å; L130-L154 HydrophobicContact CB-CD1 3.67Å; L130-L154 HydrophobicContact CB-CD2 3.99Å; L130-L154 HydrophobicContact CB-CG 4.5Å; L130-L154 HydrophobicContact CD1-CD2 3.68Å; L130-L154 HydrophobicContact CG-CD2 4.48Å; V131-L154 HydrophobicContact CG2-CB 4.21Å; V131-L154 HydrophobicContact CG2-CD1 3.84Å; L134-L154 HydrophobicContact CD1-CD1 3.98Å; L134-L154 HydrophobicContact CD2-CD1 4.02Å; L134-L154 HydrophobicContact CG-CD1 4.09Å; M142-L154 HydrophobicContact CB-CD1 4.43Å; F145-L154 HydrophobicContact CD1-CD2 4.21Å; A146-L154 HydrophobicContact CB-CB 3.87Å; A146-L154 HydrophobicContact CB-CD2 3.92Å; A146-L154 HydrophobicContact CB-CG 3.81Å; C151-L154 HydrophobicContact CB-CB 4.04Å; C151-L154 PolarHBondContact O-N 3.29Å; L154-S158 WeakPolarHBondContact O-CB 3.49Å; L154-S158 PolarHBondContact O-N 2.81Å; L154-S158 PolarHBondContact O-OG 2.91Å
155E93.7Very high90.3Very high46 Ų4647.5 Ų47.522%0.21522%0.22CC..Hα-helixtrans-61.4-50.2175.8-178.8-81.8142.500111H143 A146 E147 C151 E153 S158 R159H143-E155 IonicContact CE1-OE1 3.58Å; H143-E155 PolarHBondContact CE1-OE1 2.84Å; H143-E155 PolarHBondContact ND1-O 3.07Å; H143-E155 IonicContact NE2-OE1 2.75Å; A146-E155 HydrophobicContact CB-CB 3.79Å; E147-E155 HydrophobicContact CG-CG 4.25Å; C151-E155 WeakPolarHBondContact O-CB 3.41Å; C151-E155 PolarHBondContact O-N 2.74Å; E153-E155 VanDerWaalsContact C-N 3.34Å; E153-E155 PolarHBondContact O-N 3.35Å; E155-S158 PolarHBondContact O-OG 3.1Å; E155-R159 VanDerWaalsContact O-CB 3.26Å; E155-R159 WeakPolarHBondContact O-CB 3.48Å; E155-R159 PolarHBondContact O-N 3.37Å
156K90.9Very high89.8Confident53 Ų5346.4 Ų46.423%0.2322%0.215CC..Hα-helixtrans-60-49.8177.5-74.5175.7172.6-172.30112.8S152 E153 R159 R160 E345S152-K156 VanDerWaalsContact O-CG 3.31Å; S152-K156 WeakPolarHBondContact O-CG 3.48Å; S152-K156 PolarHBondContact O-N 3.43Å; S152-K156 VanDerWaalsContact O-N 3.14Å; E153-K156 PolarHBondContact O-N 2.96Å; K156-R159 PolarHBondContact O-N 3Å; K156-R160 WeakPolarHBondContact O-CB 3.44Å; K156-R160 PolarHBondContact O-N 2.63Å; K156-E345 IonicContact NZ-OE2 3.86Å; K156-E345 PolarHBondContact NZ-OE2 3.12Å
157E91.9Very high89.2Confident20 Ų2050.9 Ų50.99%0.09324%0.236CC..Hα-helixtrans-68.4-40.2-177-65.2-55.8145.600112.3V131 L134 E153 R159 R160 I161 G319 P320V131-E157 HydrophobicContact CG1-CB 4.2Å; V131-E157 HydrophobicContact CG1-CG 3.78Å; V131-E157 HydrophobicContact CG2-CB 4.28Å; V131-E157 HydrophobicContact CG2-CG 4.14Å; L134-E157 HydrophobicContact CD1-CB 3.6Å; E153-E157 VanDerWaalsContact O-CG 3.32Å; E153-E157 WeakPolarHBondContact O-CG 3.25Å; E153-E157 PolarHBondContact O-N 2.83Å; E157-R159 VanDerWaalsContact C-N 3.31Å; E157-R159 PolarHBondContact O-N 2.73Å; E157-R160 WeakPolarHBondContact O-CB 3.47Å; E157-R160 PolarHBondContact O-N 3.35Å; E157-R160 IonicContact OE1-CZ 3.9Å; E157-R160 IonicContact OE1-NH1 3.91Å; E157-R160 PolarHBondContact OE1-NH1 2.85Å; E157-R160 IonicContact OE2-CZ 3.3Å; E157-R160 IonicContact OE2-NH1 3.28Å; E157-R160 PolarHBondContact OE2-NH1 2.95Å; E157-I161 PolarHBondContact O-N 2.93Å; E157-G319 WeakPolarHBondContact OE2-CA 3.15Å; E157-P320 WeakPolarHBondContact OE1-CD 3.13Å
158S92.6Very high88.8Confident0 Ų048.4 Ų48.40%023%0.226CC..Hα-helixtrans-63.7-39.6175.259.40000111.5H143 L154 E155 I161 L162H143-S158 VanDerWaalsContact CA-OG 3.24Å; H143-S158 WeakPolarHBondContact CA-OG 3.33Å; H143-S158 VanDerWaalsContact CB-OG 3.25Å; H143-S158 WeakPolarHBondContact CB-OG 3.09Å; H143-S158 PolarHBondContact ND1-OG 2.75Å; L154-S158 WeakPolarHBondContact O-CB 3.49Å; L154-S158 PolarHBondContact O-N 2.81Å; L154-S158 PolarHBondContact O-OG 2.91Å; E155-S158 PolarHBondContact O-OG 3.1Å; S158-I161 PolarHBondContact O-N 2.85Å; S158-L162 WeakPolarHBondContact O-CB 3.5Å; S158-L162 PolarHBondContact O-N 2.84Å
159R88.4Confident88.6Confident34 Ų3439.7 Ų39.713%0.12819%0.191CC..Hα-helixtrans-65.6-39172.6-176.6173.7164.2-145-8.3111.8E155 K156 E157 I161 L162 L163 F185 V558E155-R159 VanDerWaalsContact O-CB 3.26Å; E155-R159 WeakPolarHBondContact O-CB 3.48Å; E155-R159 PolarHBondContact O-N 3.37Å; K156-R159 PolarHBondContact O-N 3Å; E157-R159 VanDerWaalsContact C-N 3.31Å; E157-R159 PolarHBondContact O-N 2.73Å; R159-I161 PolarHBondContact O-N 3.24Å; R159-L162 WeakPolarHBondContact O-CB 3.48Å; R159-L162 PolarHBondContact O-N 3.22Å; R159-L163 HydrophobicContact CG-CD1 4.03Å; R159-L163 HydrophobicContact CG-CG 4.35Å; R159-L163 VanDerWaalsContact O-CG 3.27Å; R159-L163 WeakPolarHBondContact O-CG 3.36Å; R159-L163 PolarHBondContact O-N 2.81Å; R159-F185 VanDerWaalsContact NE-CE1 3.29Å; R159-F185 VanDerWaalsContact NE-CZ 3.34Å; R159-V558 HydrophobicContact CB-CG1 3.66Å; R159-V558 HydrophobicContact CG-CG1 3.48Å; R159-V558 VanDerWaalsContact CG-CG1 3.48Å; R159-V558 VanDerWaalsContact CZ-OXT 3.29Å; R159-V558 PolarHBondContact NH1-OXT 3.3Å; R159-V558 PolarHBondContact NH2-OXT 3.01Å
160R87.6Confident88.2Confident14 Ų1440.7 Ų40.75%0.05320%0.195CC..Hα-helixtrans-57.1-49.4176.1-163.6172.4-76.1132.83111.6K156 E157 L163 W164 P320 E345 Y556 V558K156-R160 WeakPolarHBondContact O-CB 3.44Å; K156-R160 PolarHBondContact O-N 2.63Å; E157-R160 WeakPolarHBondContact O-CB 3.47Å; E157-R160 PolarHBondContact O-N 3.35Å; E157-R160 IonicContact OE1-CZ 3.9Å; E157-R160 IonicContact OE1-NH1 3.91Å; E157-R160 PolarHBondContact OE1-NH1 2.85Å; E157-R160 IonicContact OE2-CZ 3.3Å; E157-R160 IonicContact OE2-NH1 3.28Å; E157-R160 PolarHBondContact OE2-NH1 2.95Å; R160-L163 PolarHBondContact O-N 3.32Å; R160-W164 VanDerWaalsContact O-CB 3.28Å; R160-W164 WeakPolarHBondContact O-CB 3.45Å; R160-W164 PolarHBondContact O-N 3.17Å; R160-P320 VanDerWaalsContact NH1-N 3.11Å; R160-E345 IonicContact CZ-OE1 2.97Å; R160-E345 IonicContact NH2-OE1 3.8Å; R160-E345 PolarHBondContact NH2-OE1 3.32Å; R160-Y556 PolarHBondContact NE-O 3.39Å; R160-V558 HydrophobicContact CB-CG2 3.67Å; R160-V558 HydrophobicContact CG-CG2 3.93Å
161I87.3Confident87.8Confident28 Ų2838.7 Ų38.714%0.14418%0.18CC..Hα-helixtrans-63.8-44.6178.3-70.5167.2000110.5L134 C139 E157 S158 R159 L163 W164 Q165L134-I161 HydrophobicContact CB-CD1 3.44Å; L134-I161 VanDerWaalsContact CB-CD1 3.44Å; L134-I161 HydrophobicContact CD1-CD1 4.12Å; L134-I161 HydrophobicContact CG-CD1 4.38Å; C139-I161 HydrophobicContact CB-CB 4.36Å; C139-I161 HydrophobicContact CB-CG2 3.98Å; E157-I161 PolarHBondContact O-N 2.93Å; S158-I161 PolarHBondContact O-N 2.85Å; R159-I161 PolarHBondContact O-N 3.24Å; I161-L163 PolarHBondContact O-N 3.26Å; I161-W164 PolarHBondContact O-N 3.25Å; I161-Q165 PolarHBondContact O-N 2.92Å
162L86.5Confident87.6Confident6 Ų641.3 Ų41.33%0.03119%0.192CC..Hα-helixtrans-54.7-41.7177-173154.8000111.8I140 S158 R159 F166 V169 I186I140-L162 HydrophobicContact CG1-CD1 4.24Å; S158-L162 WeakPolarHBondContact O-CB 3.5Å; S158-L162 PolarHBondContact O-N 2.84Å; R159-L162 WeakPolarHBondContact O-CB 3.48Å; R159-L162 PolarHBondContact O-N 3.22Å; L162-F166 VanDerWaalsContact O-CA 3.26Å; L162-F166 WeakPolarHBondContact O-CA 3.48Å; L162-F166 WeakPolarHBondContact O-CB 3.32Å; L162-F166 PolarHBondContact O-N 3.39Å; L162-V169 HydrophobicContact CG-CG1 4.34Å; L162-I186 HydrophobicContact CD1-CD1 3.8Å; L162-I186 HydrophobicContact CD1-CG1 4.3Å; L162-I186 HydrophobicContact CD2-CB 4.23Å; L162-I186 HydrophobicContact CD2-CD1 3.81Å; L162-I186 HydrophobicContact CD2-CG1 3.59Å; L162-I186 HydrophobicContact CD2-CG2 3.64Å; L162-I186 HydrophobicContact CG-CD1 4.41Å
163L80.8Confident87.3Confident2 Ų245.9 Ų45.91%0.0121%0.205CC..Hα-helixtrans-78.8-40.3-179.5-63.6176.6000113R159 R160 I161 N191 W195 T272R159-L163 HydrophobicContact CG-CD1 4.03Å; R159-L163 HydrophobicContact CG-CG 4.35Å; R159-L163 VanDerWaalsContact O-CG 3.27Å; R159-L163 WeakPolarHBondContact O-CG 3.36Å; R159-L163 PolarHBondContact O-N 2.81Å; R160-L163 PolarHBondContact O-N 3.32Å; I161-L163 PolarHBondContact O-N 3.26Å; L163-N191 HydrophobicContact CD2-CB 3.75Å; L163-N191 VanDerWaalsContact CD2-CG 3.4Å; L163-W195 HydrophobicContact CD2-CH2 4.01Å; L163-W195 HydrophobicContact CD2-CZ2 3.7Å; L163-W195 PolarHBondContact O-NE1 2.78Å; L163-T272 HydrophobicContact CB-CG2 4.32Å; L163-T272 HydrophobicContact CD1-CG2 3.79Å
164W78.9Confident87Confident135 Ų13546 Ų4651%0.51121%0.206SC..Hα-helixtrans-69.6-49.5-178.1172.837.4000112.4R160 I161 Y556R160-W164 VanDerWaalsContact O-CB 3.28Å; R160-W164 WeakPolarHBondContact O-CB 3.45Å; R160-W164 PolarHBondContact O-N 3.17Å; I161-W164 PolarHBondContact O-N 3.25Å; W164-Y556 HydrophobicContact CB-CD1 4.24Å; W164-Y556 HydrophobicContact CB-CD2 3.83Å; W164-Y556 HydrophobicContact CB-CE1 4.18Å; W164-Y556 HydrophobicContact CB-CE2 3.79Å; W164-Y556 HydrophobicContact CB-CG 4.07Å; W164-Y556 AromaticContact CD1-CD2 3.88Å; W164-Y556 AromaticContact CD1-CE2 3.04Å; W164-Y556 AromaticContact CD1-CZ 3.31Å; W164-Y556 AromaticContact CG-CD2 3.87Å; W164-Y556 HydrophobicContact CG-CD2 3.87Å; W164-Y556 AromaticContact CG-CE2 3.5Å; W164-Y556 HydrophobicContact CG-CE2 3.5Å; W164-Y556 AromaticContact CG-CZ 3.93Å; W164-Y556 AromaticContact NE1-CE2 3.78Å
165Q80.4Confident86.7Confident54 Ų5446 Ų4625%0.25221%0.206SC..THydrogen-bonded Turntrans-104.931.8-176.2-69.7176.8-4500111.7T136 I161 E167 D168 V169T136-Q165 HydrophobicContact CG2-CB 3.71Å; T136-Q165 HydrophobicContact CG2-CG 4.26Å; I161-Q165 PolarHBondContact O-N 2.92Å; Q165-E167 PolarHBondContact O-N 3Å; Q165-D168 PolarHBondContact O-N 3.47Å; Q165-V169 WeakPolarHBondContact O-CG2 3.42Å; Q165-V169 PolarHBondContact O-N 2.87Å
166F83.4Confident86.4Confident2 Ų245.3 Ų45.31%0.00920%0.203CC..Hα-helixtrans-50.3-40.6-176.3-177.7-107.5000112.3L162 D168 V169 W170 F175 I186 L187 W195 T199 A203L162-F166 VanDerWaalsContact O-CA 3.26Å; L162-F166 WeakPolarHBondContact O-CA 3.48Å; L162-F166 WeakPolarHBondContact O-CB 3.32Å; L162-F166 PolarHBondContact O-N 3.39Å; F166-D168 PolarHBondContact O-N 3.08Å; F166-V169 PolarHBondContact O-N 3.2Å; F166-V169 VanDerWaalsContact O-N 3.1Å; F166-W170 HydrophobicContact CE1-CB 4.37Å; F166-W170 HydrophobicContact CE1-CG 4.46Å; F166-W170 HydrophobicContact CE2-CB 4.33Å; F166-W170 HydrophobicContact CZ-CB 4.06Å; F166-W170 PolarHBondContact O-N 3.5Å; F166-F175 HydrophobicContact CE2-CE2 4.01Å; F166-F175 HydrophobicContact CE2-CZ 4.49Å; F166-F175 HydrophobicContact CZ-CE2 4.36Å; F166-F175 HydrophobicContact CZ-CZ 4.39Å; F166-I186 HydrophobicContact CD2-CG2 4.06Å; F166-I186 HydrophobicContact CE2-CG2 3.64Å; F166-I186 HydrophobicContact CZ-CG2 4.47Å; F166-L187 HydrophobicContact CZ-CD2 4.5Å; F166-W195 HydrophobicContact CB-CD2 4.08Å; F166-W195 VanDerWaalsContact CB-CE2 3.46Å; F166-W195 HydrophobicContact CB-CG 4.47Å; F166-W195 HydrophobicContact CB-CH2 4.47Å; F166-W195 HydrophobicContact CB-CZ2 3.71Å; F166-W195 AromaticContact CD1-CD2 3.66Å; F166-W195 HydrophobicContact CD1-CD2 3.66Å; F166-W195 AromaticContact CD1-CE2 3.91Å; F166-W195 AromaticContact CD1-CE3 3.7Å; F166-W195 HydrophobicContact CD1-CE3 3.7Å; F166-W195 HydrophobicContact CD1-CG 4.19Å; F166-W195 HydrophobicContact CD1-CH2 4.31Å; F166-W195 HydrophobicContact CD1-CZ2 4.24Å; F166-W195 HydrophobicContact CD1-CZ3 4.05Å; F166-W195 AromaticContact CD2-CH2 3.94Å; F166-W195 HydrophobicContact CD2-CH2 3.94Å; F166-W195 AromaticContact CD2-CZ2 3.96Å; F166-W195 HydrophobicContact CD2-CZ2 3.96Å; F166-W195 HydrophobicContact CD2-CZ3 4.34Å; F166-W195 HydrophobicContact CE1-CD2 4.35Å; F166-W195 AromaticContact CE1-CE3 3.92Å; F166-W195 HydrophobicContact CE1-CE3 3.92Å; F166-W195 HydrophobicContact CE1-CZ3 4.08Å; F166-W195 HydrophobicContact CE2-CH2 4.26Å; F166-W195 HydrophobicContact CE2-CZ3 4.37Å; F166-W195 AromaticContact CG-CD2 3.93Å; F166-W195 HydrophobicContact CG-CD2 3.93Å; F166-W195 AromaticContact CG-CE2 3.65Å; F166-W195 HydrophobicContact CG-CE3 4.15Å; F166-W195 AromaticContact CG-CH2 3.97Å; F166-W195 HydrophobicContact CG-CH2 3.97Å; F166-W195 AromaticContact CG-CZ2 3.69Å; F166-W195 HydrophobicContact CG-CZ2 3.69Å; F166-W195 HydrophobicContact CG-CZ3 4.19Å; F166-W195 HydrophobicContact CZ-CZ3 4.24Å; F166-T199 HydrophobicContact CD1-CG2 4.41Å; F166-A203 HydrophobicContact CE1-CB 4.07Å; F166-A203 HydrophobicContact CZ-CB 3.86Å
167E81.4Confident86.2Confident94 Ų9448.4 Ų48.444%0.43922%0.223SC..Hα-helixtrans-54.6-34.1179.1-166.4-178.6157.600113.4Q165 W170 K171 T199Q165-E167 PolarHBondContact O-N 3Å; E167-W170 VanDerWaalsContact O-CD1 3.25Å; E167-W170 PolarHBondContact O-NE1 2.96Å; E167-K171 WeakPolarHBondContact O-CD 3.1Å; E167-K171 WeakPolarHBondContact O-CE 3.3Å; E167-K171 WeakPolarHBondContact O-CG 3.26Å; E167-K171 PolarHBondContact O-NZ 3.03Å; E167-K171 IonicContact OE1-NZ 3.86Å; E167-T199 HydrophobicContact CB-CG2 4.35Å; E167-T199 HydrophobicContact CG-CG2 4.1Å
168D84.4Confident86Confident49 Ų4947.8 Ų47.826%0.26222%0.22SC..Hα-helixtrans-91-31.6177.7-63-37.7000111.7T136 Q165 F166 K171T136-D168 HydrophobicContact CG2-CB 4.19Å; Q165-D168 PolarHBondContact O-N 3.47Å; F166-D168 PolarHBondContact O-N 3.08Å; D168-K171 WeakPolarHBondContact O-CB 3.22Å; D168-K171 PolarHBondContact O-N 3.19Å; D168-K171 IonicContact OD1-NZ 3.68Å; D168-K171 PolarHBondContact OD1-NZ 3.08Å
169V87.6Confident85.7Confident0 Ų049.9 Ų49.90%024%0.242CC..Hα-helixtrans-66.9-42.4179.5175.30000112.4T136 I140 L162 Q165 F166 K171 Q172T136-V169 HydrophobicContact CG2-CG2 4.29Å; I140-V169 HydrophobicContact CD1-CG1 3.59Å; I140-V169 HydrophobicContact CG1-CG1 3.81Å; L162-V169 HydrophobicContact CG-CG1 4.34Å; Q165-V169 WeakPolarHBondContact O-CG2 3.42Å; Q165-V169 PolarHBondContact O-N 2.87Å; F166-V169 PolarHBondContact O-N 3.2Å; F166-V169 VanDerWaalsContact O-N 3.1Å; V169-K171 PolarHBondContact O-N 2.87Å; V169-Q172 VanDerWaalsContact O-CB 3.32Å; V169-Q172 WeakPolarHBondContact O-CB 3.38Å; V169-Q172 WeakPolarHBondContact O-CG 3.17Å; V169-Q172 PolarHBondContact O-N 3.09Å; V169-Q172 VanDerWaalsContact O-N 3.12Å
170W85.8Confident85.5Confident31 Ų3151.8 Ų51.812%0.11725%0.251CS..THydrogen-bonded Turntrans-70.3-16.2179.780-95.9000113.2F166 E167 Q172 F175 T199 E202 A203 K206F166-W170 HydrophobicContact CE1-CB 4.37Å; F166-W170 HydrophobicContact CE1-CG 4.46Å; F166-W170 HydrophobicContact CE2-CB 4.33Å; F166-W170 HydrophobicContact CZ-CB 4.06Å; F166-W170 PolarHBondContact O-N 3.5Å; E167-W170 VanDerWaalsContact O-CD1 3.25Å; E167-W170 PolarHBondContact O-NE1 2.96Å; W170-Q172 VanDerWaalsContact C-N 3.31Å; W170-F175 HydrophobicContact CB-CD1 4.22Å; W170-F175 HydrophobicContact CB-CD2 4.18Å; W170-F175 HydrophobicContact CB-CE1 4.11Å; W170-F175 HydrophobicContact CB-CE2 4.08Å; W170-F175 HydrophobicContact CB-CG 4.26Å; W170-F175 HydrophobicContact CB-CZ 4.04Å; W170-T199 VanDerWaalsContact NE1-CG2 3.32Å; W170-E202 HydrophobicContact CH2-CB 3.85Å; W170-E202 HydrophobicContact CZ2-CB 4.3Å; W170-E202 HydrophobicContact CZ3-CB 4.29Å; W170-A203 HydrophobicContact CB-CB 3.76Å; W170-A203 HydrophobicContact CD2-CB 3.9Å; W170-A203 HydrophobicContact CE3-CB 3.97Å; W170-A203 HydrophobicContact CG-CB 3.79Å; W170-K206 HydrophobicContact CE3-CD 3.79Å; W170-K206 HydrophobicContact CZ3-CB 4.27Å; W170-K206 HydrophobicContact CZ3-CD 3.67Å; W170-K206 PolarHBondContact O-NZ 2.85Å
171K87.3Confident85.3Confident92 Ų9259.2 Ų59.240%0.429%0.286SS..THydrogen-bonded Turntrans-73.6-25.3174-64.8171-168.6151.20111.6E167 D168 V169 K206E167-K171 WeakPolarHBondContact O-CD 3.1Å; E167-K171 WeakPolarHBondContact O-CE 3.3Å; E167-K171 WeakPolarHBondContact O-CG 3.26Å; E167-K171 PolarHBondContact O-NZ 3.03Å; E167-K171 IonicContact OE1-NZ 3.86Å; D168-K171 WeakPolarHBondContact O-CB 3.22Å; D168-K171 PolarHBondContact O-N 3.19Å; D168-K171 IonicContact OD1-NZ 3.68Å; D168-K171 PolarHBondContact OD1-NZ 3.08Å; V169-K171 PolarHBondContact O-N 2.87Å; K171-K206 VanDerWaalsContact C-NZ 3.31Å; K171-K206 PolarHBondContact O-NZ 3.47Å
172Q89.6Confident85.1Confident58 Ų5859.4 Ų59.427%0.27129%0.286SS..SBendtrans-65.4157.4-179.1-56-59.8-22.600113.3D137 V169 W170 F175D137-Q172 PolarHBondContact OD1-NE2 2.77Å; V169-Q172 VanDerWaalsContact O-CB 3.32Å; V169-Q172 WeakPolarHBondContact O-CB 3.38Å; V169-Q172 WeakPolarHBondContact O-CG 3.17Å; V169-Q172 PolarHBondContact O-N 3.09Å; V169-Q172 VanDerWaalsContact O-N 3.12Å; W170-Q172 VanDerWaalsContact C-N 3.31Å; Q172-F175 WeakPolarHBondContact O-CB 3.42Å
173E86.6Confident85Confident165 Ų16559.1 Ų59.177%0.77129%0.285SS*.SBendtrans-72.5-40.1178.7-66.4-169.7165.100112.1F175 L176E173-F175 PolarHBondContact O-N 2.92Å; E173-L176 WeakPolarHBondContact O-CB 3.37Å; E173-L176 WeakPolarHBondContact O-CG 3.33Å; E173-L176 PolarHBondContact O-N 3.38Å
174E87.2Confident85Confident83 Ų8363.4 Ų63.439%0.38830%0.303SS..G310 helixtrans-57.9-24.3178.7-66.7-168174.500113I140 G141 L176 D177I140-E174 HydrophobicContact CD1-CB 4.34Å; G141-E174 PolarHBondContact N-OE2 3.27Å; E174-L176 PolarHBondContact O-N 3.03Å; E174-D177 PolarHBondContact O-N 3.3Å; E174-D177 VanDerWaalsContact O-N 3.12Å
175F89.1Confident84.9Confident1 Ų161.1 Ų61.10%0.00430%0.297CS..G310 helixtrans-59.4-31.2175.4-176.4-99.5000112.4I140 F166 W170 Q172 E173 D177 I178 L183 A203 W207I140-F175 HydrophobicContact CD1-CB 3.98Å; I140-F175 HydrophobicContact CD1-CD2 4.3Å; F166-F175 HydrophobicContact CE2-CE2 4.01Å; F166-F175 HydrophobicContact CE2-CZ 4.49Å; F166-F175 HydrophobicContact CZ-CE2 4.36Å; F166-F175 HydrophobicContact CZ-CZ 4.39Å; W170-F175 HydrophobicContact CB-CD1 4.22Å; W170-F175 HydrophobicContact CB-CD2 4.18Å; W170-F175 HydrophobicContact CB-CE1 4.11Å; W170-F175 HydrophobicContact CB-CE2 4.08Å; W170-F175 HydrophobicContact CB-CG 4.26Å; W170-F175 HydrophobicContact CB-CZ 4.04Å; Q172-F175 WeakPolarHBondContact O-CB 3.42Å; E173-F175 PolarHBondContact O-N 2.92Å; F175-D177 PolarHBondContact O-N 3.14Å; F175-I178 HydrophobicContact CD2-CD1 3.55Å; F175-I178 HydrophobicContact CE2-CD1 4.03Å; F175-I178 HydrophobicContact CG-CD1 4.26Å; F175-I178 WeakPolarHBondContact O-CG1 3.34Å; F175-I178 PolarHBondContact O-N 3.12Å; F175-L183 HydrophobicContact CE2-CD1 3.98Å; F175-L183 HydrophobicContact CZ-CD1 3.6Å; F175-A203 HydrophobicContact CE1-CB 4.15Å; F175-A203 HydrophobicContact CZ-CB 4.03Å; F175-W207 HydrophobicContact CE1-CB 4.05Å
176L86.4Confident84.8Confident30 Ų3058.8 Ų58.816%0.15729%0.286CS..G310 helixtrans-70.3-21.7-179.4-56.8-179.6000112.5E173 E174 K206 H210 R215E173-L176 WeakPolarHBondContact O-CB 3.37Å; E173-L176 WeakPolarHBondContact O-CG 3.33Å; E173-L176 PolarHBondContact O-N 3.38Å; E174-L176 PolarHBondContact O-N 3.03Å; L176-K206 HydrophobicContact CD2-CD 4.43Å; L176-K206 HydrophobicContact CD2-CG 4.04Å; L176-H210 HydrophobicContact CB-CB 4.31Å; L176-H210 HydrophobicContact CD1-CB 4.45Å; L176-H210 HydrophobicContact CD2-CB 4.2Å; L176-R215 VanDerWaalsContact O-CZ 3.25Å; L176-R215 PolarHBondContact O-NH1 2.89Å; L176-R215 PolarHBondContact O-NH2 2.85Å
177D86.9Confident84.4Confident118 Ų11858.7 Ų58.763%0.63129%0.286SS*.G310 helixtrans-90.9-5.1-178.4-63.3-38.5000113.1E174 F175 G179E174-D177 PolarHBondContact O-N 3.3Å; E174-D177 VanDerWaalsContact O-N 3.12Å; F175-D177 PolarHBondContact O-N 3.14Å; D177-G179 PolarHBondContact O-N 2.91Å
178I87.8Confident84Confident7 Ų755.5 Ų55.54%0.03627%0.274CS..  trans-62.8134178.5-62.6179.3000110.5I140 F175 K182 L183 I186 W207I140-I178 HydrophobicContact CD1-CD1 3.93Å; I140-I178 HydrophobicContact CG1-CD1 4.09Å; I140-I178 HydrophobicContact CG2-CD1 3.73Å; I140-I178 HydrophobicContact CG2-CG1 3.64Å; F175-I178 HydrophobicContact CD2-CD1 3.55Å; F175-I178 HydrophobicContact CE2-CD1 4.03Å; F175-I178 HydrophobicContact CG-CD1 4.26Å; F175-I178 WeakPolarHBondContact O-CG1 3.34Å; F175-I178 PolarHBondContact O-N 3.12Å; I178-K182 HydrophobicContact CG2-CB 3.71Å; I178-K182 HydrophobicContact CG2-CD 4.21Å; I178-K182 HydrophobicContact CG2-CG 3.83Å; I178-L183 HydrophobicContact CG2-CB 4.13Å; I178-I186 HydrophobicContact CD1-CD1 4.2Å; I178-W207 WeakPolarHBondContact O-CZ2 3.4Å; I178-W207 PolarHBondContact O-NE1 3.32Å
179G86Confident82.8Confident45 Ų4558.3 Ų58.346%0.46428%0.281SS..  trans-70.2155.3173.700000113.2D177 E181 K182 L183D177-G179 PolarHBondContact O-N 2.91Å; G179-E181 VanDerWaalsContact C-N 3.31Å; G179-E181 PolarHBondContact O-N 2.95Å; G179-K182 PolarHBondContact O-N 3.05Å; G179-L183 PolarHBondContact O-N 3.17Å
180K84.7Confident81.6Confident74 Ų7461.7 Ų61.732%0.32230%0.297SS..Hα-helixtrans-50-47.6-178.3-177.6-162.7-179.1178.10113.2K182 L183 F184 W207 C218 E221K180-K182 PolarHBondContact O-N 3.29Å; K180-L183 PolarHBondContact O-N 2.96Å; K180-F184 WeakPolarHBondContact O-CB 3.32Å; K180-F184 PolarHBondContact O-N 3.36Å; K180-W207 HydrophobicContact CB-CH2 4.29Å; K180-C218 HydrophobicContact CD-CB 4.11Å; K180-C218 WeakPolarHBondContact CD-SG 3.33Å; K180-C218 VanDerWaalsContact CE-SG 3.51Å; K180-C218 HydrophobicContact CG-CB 4.16Å; K180-E221 WeakPolarHBondContact CE-OE2 3.47Å; K180-E221 VanDerWaalsContact NZ-CD 3.33Å; K180-E221 IonicContact NZ-OE1 2.81Å; K180-E221 PolarHBondContact NZ-OE1 2.67Å; K180-E221 IonicContact NZ-OE2 2.63Å; K180-E221 PolarHBondContact NZ-OE2 2.97Å
181E82.9Confident80.5Confident169 Ų16960.3 Ų60.379%0.7929%0.292SS*.Hα-helixtrans-63.3-42.8-175.2-62.6-172.8171.300112.1G179 F184 F185G179-E181 VanDerWaalsContact C-N 3.31Å; G179-E181 PolarHBondContact O-N 2.95Å; E181-F184 WeakPolarHBondContact O-CB 3.41Å; E181-F184 PolarHBondContact O-N 3.1Å; E181-F185 WeakPolarHBondContact O-CB 3.42Å; E181-F185 PolarHBondContact O-N 2.81Å
182K82.9Confident79.1Confident33 Ų3356.9 Ų56.914%0.14328%0.278CS..Hα-helixtrans-67.3-41.6177.6-173.7163.7-174.5164.20111.3H143 S144 E147 I178 G179 K180 F184 F185 I186H143-K182 VanDerWaalsContact CD2-CE 3.44Å; H143-K182 WeakPolarHBondContact CD2-CE 3.5Å; H143-K182 PolarHBondContact CD2-NZ 2.96Å; S144-K182 PolarHBondContact OG-NZ 3.26Å; E147-K182 IonicContact OE2-NZ 2.6Å; E147-K182 PolarHBondContact OE2-NZ 3.01Å; I178-K182 HydrophobicContact CG2-CB 3.71Å; I178-K182 HydrophobicContact CG2-CD 4.21Å; I178-K182 HydrophobicContact CG2-CG 3.83Å; G179-K182 PolarHBondContact O-N 3.05Å; K180-K182 PolarHBondContact O-N 3.29Å; K182-F184 PolarHBondContact O-N 3.16Å; K182-F185 WeakPolarHBondContact O-CB 3.43Å; K182-F185 PolarHBondContact O-N 2.59Å; K182-I186 HydrophobicContact CG-CD1 4.19Å; K182-I186 WeakPolarHBondContact O-CD1 3.44Å; K182-I186 WeakPolarHBondContact O-CG1 3.39Å; K182-I186 PolarHBondContact O-N 2.81Å
183L85.1Confident77.5Confident0 Ų058 Ų580%029%0.285CS..Hα-helixtrans-64.7-39.7174.5-177.158.4000112.2F175 I178 G179 K180 F185 I186 L187 W207 L222F175-L183 HydrophobicContact CE2-CD1 3.98Å; F175-L183 HydrophobicContact CZ-CD1 3.6Å; I178-L183 HydrophobicContact CG2-CB 4.13Å; G179-L183 PolarHBondContact O-N 3.17Å; K180-L183 PolarHBondContact O-N 2.96Å; L183-F185 VanDerWaalsContact C-N 3.33Å; L183-F185 PolarHBondContact O-N 3.31Å; L183-I186 PolarHBondContact O-N 2.9Å; L183-L187 HydrophobicContact CD1-CD1 3.75Å; L183-L187 HydrophobicContact CD1-CG 4.02Å; L183-L187 HydrophobicContact CD2-CD1 4.43Å; L183-L187 HydrophobicContact CG-CD1 3.74Å; L183-L187 HydrophobicContact CG-CG 4.4Å; L183-L187 WeakPolarHBondContact O-CB 3.28Å; L183-L187 VanDerWaalsContact O-CG 3.3Å; L183-L187 WeakPolarHBondContact O-CG 3.49Å; L183-L187 PolarHBondContact O-N 2.89Å; L183-W207 HydrophobicContact CD2-CB 4.09Å; L183-W207 HydrophobicContact CD2-CD2 3.37Å; L183-W207 HydrophobicContact CD2-CE3 3.65Å; L183-W207 HydrophobicContact CD2-CG 3.56Å; L183-W207 HydrophobicContact CD2-CZ2 4.36Å; L183-W207 HydrophobicContact CD2-CZ3 4.25Å; L183-L222 HydrophobicContact CD2-CD1 3.66Å; L183-L222 HydrophobicContact CD2-CD2 4.45Å; L183-L222 HydrophobicContact CG-CD1 4.28Å; L183-L222 HydrophobicContact CG-CD2 4.18Å
184F80.3Confident76.1Confident92 Ų9250.7 Ų50.740%0.40425%0.252SS..Hα-helixtrans-61.3-43.1174.5-177.1-88.1000111.6K180 E181 K182 L187 S188 L222 C225K180-F184 WeakPolarHBondContact O-CB 3.32Å; K180-F184 PolarHBondContact O-N 3.36Å; E181-F184 WeakPolarHBondContact O-CB 3.41Å; E181-F184 PolarHBondContact O-N 3.1Å; K182-F184 PolarHBondContact O-N 3.16Å; F184-L187 CarbonylContact O-C 3.59Å; F184-L187 PolarHBondContact O-N 3.34Å; F184-S188 PolarHBondContact O-N 3.47Å; F184-L222 HydrophobicContact CB-CD2 3.95Å; F184-L222 HydrophobicContact CD2-CD2 4.26Å; F184-C225 WeakPolarHBondContact CE2-SG 3.47Å
185F78.1Confident75.1Confident87 Ų8748.3 Ų48.338%0.38224%0.239SC..Hα-helixtrans-61.8-45.5175.5175.6-104.2000112.2R159 E181 K182 L183 L187 S188 N191R159-F185 VanDerWaalsContact NE-CE1 3.29Å; R159-F185 VanDerWaalsContact NE-CZ 3.34Å; E181-F185 WeakPolarHBondContact O-CB 3.42Å; E181-F185 PolarHBondContact O-N 2.81Å; K182-F185 WeakPolarHBondContact O-CB 3.43Å; K182-F185 PolarHBondContact O-N 2.59Å; L183-F185 VanDerWaalsContact C-N 3.33Å; L183-F185 PolarHBondContact O-N 3.31Å; F185-L187 PolarHBondContact O-N 3.25Å; F185-S188 VanDerWaalsContact O-CB 3.22Å; F185-S188 WeakPolarHBondContact O-CB 3.44Å; F185-S188 PolarHBondContact O-N 3Å; F185-S188 PolarHBondContact O-OG 3.21Å; F185-N191 PolarHBondContact O-ND2 3.22Å
186I78.6Confident73.9Confident5 Ų551.6 Ų51.63%0.02626%0.255CS..Hα-helixtrans-59-48.7175.8-67164.8000110.2L162 F166 I178 K182 L183 S188 N191 W195L162-I186 HydrophobicContact CD1-CD1 3.8Å; L162-I186 HydrophobicContact CD1-CG1 4.3Å; L162-I186 HydrophobicContact CD2-CB 4.23Å; L162-I186 HydrophobicContact CD2-CD1 3.81Å; L162-I186 HydrophobicContact CD2-CG1 3.59Å; L162-I186 HydrophobicContact CD2-CG2 3.64Å; L162-I186 HydrophobicContact CG-CD1 4.41Å; F166-I186 HydrophobicContact CD2-CG2 4.06Å; F166-I186 HydrophobicContact CE2-CG2 3.64Å; F166-I186 HydrophobicContact CZ-CG2 4.47Å; I178-I186 HydrophobicContact CD1-CD1 4.2Å; K182-I186 HydrophobicContact CG-CD1 4.19Å; K182-I186 WeakPolarHBondContact O-CD1 3.44Å; K182-I186 WeakPolarHBondContact O-CG1 3.39Å; K182-I186 PolarHBondContact O-N 2.81Å; L183-I186 PolarHBondContact O-N 2.9Å; I186-S188 PolarHBondContact O-N 3Å; I186-N191 WeakPolarHBondContact O-CB 3.38Å; I186-N191 PolarHBondContact O-ND2 3.04Å; I186-W195 HydrophobicContact CG2-CH2 3.68Å; I186-W195 HydrophobicContact CG2-CZ3 4.29Å; I186-W195 VanDerWaalsContact O-CH2 3.24Å; I186-W195 WeakPolarHBondContact O-CH2 3.3Å
187L74.9Confident73.1Confident0 Ų053.6 Ų53.60%026%0.264CS..THydrogen-bonded Turntrans-785.2-179.4-65169.3000113.9F166 L183 F184 F185 L192 W195 A200 V204 L222 C225F166-L187 HydrophobicContact CZ-CD2 4.5Å; L183-L187 HydrophobicContact CD1-CD1 3.75Å; L183-L187 HydrophobicContact CD1-CG 4.02Å; L183-L187 HydrophobicContact CD2-CD1 4.43Å; L183-L187 HydrophobicContact CG-CD1 3.74Å; L183-L187 HydrophobicContact CG-CG 4.4Å; L183-L187 WeakPolarHBondContact O-CB 3.28Å; L183-L187 VanDerWaalsContact O-CG 3.3Å; L183-L187 WeakPolarHBondContact O-CG 3.49Å; L183-L187 PolarHBondContact O-N 2.89Å; F184-L187 CarbonylContact O-C 3.59Å; F184-L187 PolarHBondContact O-N 3.34Å; F185-L187 PolarHBondContact O-N 3.25Å; L187-L192 HydrophobicContact CD2-CD2 4.35Å; L187-L192 WeakPolarHBondContact O-CD1 3.24Å; L187-L192 WeakPolarHBondContact O-CG 3.45Å; L187-W195 HydrophobicContact CD2-CZ3 4.25Å; L187-A200 HydrophobicContact CD2-CB 4.16Å; L187-V204 HydrophobicContact CD1-CG2 3.3Å; L187-V204 HydrophobicContact CD2-CG2 4.28Å; L187-V204 HydrophobicContact CG-CG2 4.45Å; L187-L222 HydrophobicContact CD1-CB 4.21Å; L187-L222 HydrophobicContact CD1-CD2 4.15Å; L187-C225 HydrophobicContact CB-CB 4.43Å; L187-C225 WeakPolarHBondContact O-CB 3.49Å
188S72.2Confident72.3Confident27 Ų2752.7 Ų52.719%0.18925%0.254CS..SBendtrans-58.6148.417867.40000111.1F184 F185 I186 E190 N191 L192F184-S188 PolarHBondContact O-N 3.47Å; F185-S188 VanDerWaalsContact O-CB 3.22Å; F185-S188 WeakPolarHBondContact O-CB 3.44Å; F185-S188 PolarHBondContact O-N 3Å; F185-S188 PolarHBondContact O-OG 3.21Å; I186-S188 PolarHBondContact O-N 3Å; S188-E190 PolarHBondContact O-N 3.1Å; S188-N191 WeakPolarHBondContact O-CB 3.26Å; S188-N191 PolarHBondContact O-N 2.83Å; S188-N191 PolarHBondContact OG-ND2 2.62Å; S188-L192 PolarHBondContact O-N 3.24Å
189R60.1Low71.7Confident108 Ų10853 Ų5341%0.40826%0.256SS..Hα-helixtrans-58.2-22.4-172.7-77.3-176177.6-175.63114.8N191 N193 S224 C225R189-N191 VanDerWaalsContact C-N 3.34Å; R189-N193 PolarHBondContact O-ND2 2.88Å; R189-N193 VanDerWaalsContact O-ND2 3.13Å; R189-S224 PolarHBondContact NH2-O 2.82Å; R189-C225 WeakPolarHBondContact CG-O 3.24Å; R189-C225 PolarHBondContact NE-O 3.37Å
190E61.1Low71.2Confident70 Ų7050.8 Ų50.833%0.32723%0.234SC..Hα-helixtrans-65.8-41.2175.5-65.4177.3-171.100110.6S188 T272S188-E190 PolarHBondContact O-N 3.1Å; E190-T272 PolarHBondContact O-OG1 3Å
191N62.1Low70.8Confident2 Ų247.3 Ų47.31%0.01122%0.219CC..Hα-helixtrans-80.8-35.1-177.7-61.1-26.1000112.8L163 F185 I186 S188 R189 N193 V194 W195L163-N191 HydrophobicContact CD2-CB 3.75Å; L163-N191 VanDerWaalsContact CD2-CG 3.4Å; F185-N191 PolarHBondContact O-ND2 3.22Å; I186-N191 WeakPolarHBondContact O-CB 3.38Å; I186-N191 PolarHBondContact O-ND2 3.04Å; S188-N191 WeakPolarHBondContact O-CB 3.26Å; S188-N191 PolarHBondContact O-N 2.83Å; S188-N191 PolarHBondContact OG-ND2 2.62Å; R189-N191 VanDerWaalsContact C-N 3.34Å; N191-N193 PolarHBondContact O-N 2.82Å; N191-V194 WeakPolarHBondContact O-CB 3.33Å; N191-V194 PolarHBondContact O-N 3.32Å; N191-W195 HydrophobicContact CB-CH2 3.85Å; N191-W195 HydrophobicContact CB-CZ2 4.15Å; N191-W195 HydrophobicContact CB-CZ3 4.45Å
192L58.3Low70.6Confident21 Ų2142.3 Ų42.311%0.1120%0.195CC..Hα-helixtrans-63.8-24.4-176.9-75.7168.9000114.6L187 S188 V194 W195 A200 C225 V226L187-L192 HydrophobicContact CD2-CD2 4.35Å; L187-L192 WeakPolarHBondContact O-CD1 3.24Å; L187-L192 WeakPolarHBondContact O-CG 3.45Å; S188-L192 PolarHBondContact O-N 3.24Å; L192-V194 PolarHBondContact O-N 2.84Å; L192-W195 HydrophobicContact CD2-CE3 3.75Å; L192-W195 HydrophobicContact CD2-CZ3 3.99Å; L192-W195 PolarHBondContact O-N 3.21Å; L192-A200 HydrophobicContact CD2-CB 3.57Å; L192-C225 VanDerWaalsContact CD1-C 3.44Å; L192-C225 HydrophobicContact CD1-CB 4.26Å; L192-C225 WeakPolarHBondContact CD1-O 3.44Å; L192-V226 HydrophobicContact CD1-CB 4.35Å; L192-V226 HydrophobicContact CD1-CG2 4.02Å; L192-V226 HydrophobicContact CD2-CG2 4.01Å
193N56.4Low70.6Confident81 Ų8140.7 Ų40.743%0.43319%0.188SC..THydrogen-bonded Turntrans-62.4-13.5178-66.5-40.7000113.1R189 N191 L295 N507R189-N193 PolarHBondContact O-ND2 2.88Å; R189-N193 VanDerWaalsContact O-ND2 3.13Å; N191-N193 PolarHBondContact O-N 2.82Å; N193-L295 HydrophobicContact CB-CD1 4.19Å; N193-L295 HydrophobicContact CB-CD2 3.95Å; N193-N507 VanDerWaalsContact O-CG 3.25Å; N193-N507 PolarHBondContact O-ND2 2.86Å
194V56.4Low70.5Confident12 Ų1240.7 Ų40.77%0.07319%0.188CC..THydrogen-bonded Turntrans-87.5-26.3177.8-176.90000112.1N191 L192 T272 A273 N507 Y556N191-V194 WeakPolarHBondContact O-CB 3.33Å; N191-V194 PolarHBondContact O-N 3.32Å; L192-V194 PolarHBondContact O-N 2.84Å; V194-T272 HydrophobicContact CG2-CG2 4.1Å; V194-A273 HydrophobicContact CG2-CB 4.29Å; V194-N507 WeakPolarHBondContact CA-OD1 3.37Å; V194-N507 WeakPolarHBondContact O-CA 3.4Å; V194-Y556 HydrophobicContact CG1-CE1 3.67Å; V194-Y556 HydrophobicContact CG2-CE1 4.32Å
195W66.1Low70.4Confident32 Ų3237.1 Ų37.112%0.12117%0.174CC..SBendtrans-107.2156.5-168.4-48.7-33.8000112.3L163 F166 I186 L187 N191 L192L163-W195 HydrophobicContact CD2-CH2 4.01Å; L163-W195 HydrophobicContact CD2-CZ2 3.7Å; L163-W195 PolarHBondContact O-NE1 2.78Å; F166-W195 HydrophobicContact CB-CD2 4.08Å; F166-W195 VanDerWaalsContact CB-CE2 3.46Å; F166-W195 HydrophobicContact CB-CG 4.47Å; F166-W195 HydrophobicContact CB-CH2 4.47Å; F166-W195 HydrophobicContact CB-CZ2 3.71Å; F166-W195 AromaticContact CD1-CD2 3.66Å; F166-W195 HydrophobicContact CD1-CD2 3.66Å; F166-W195 AromaticContact CD1-CE2 3.91Å; F166-W195 AromaticContact CD1-CE3 3.7Å; F166-W195 HydrophobicContact CD1-CE3 3.7Å; F166-W195 HydrophobicContact CD1-CG 4.19Å; F166-W195 HydrophobicContact CD1-CH2 4.31Å; F166-W195 HydrophobicContact CD1-CZ2 4.24Å; F166-W195 HydrophobicContact CD1-CZ3 4.05Å; F166-W195 AromaticContact CD2-CH2 3.94Å; F166-W195 HydrophobicContact CD2-CH2 3.94Å; F166-W195 AromaticContact CD2-CZ2 3.96Å; F166-W195 HydrophobicContact CD2-CZ2 3.96Å; F166-W195 HydrophobicContact CD2-CZ3 4.34Å; F166-W195 HydrophobicContact CE1-CD2 4.35Å; F166-W195 AromaticContact CE1-CE3 3.92Å; F166-W195 HydrophobicContact CE1-CE3 3.92Å; F166-W195 HydrophobicContact CE1-CZ3 4.08Å; F166-W195 HydrophobicContact CE2-CH2 4.26Å; F166-W195 HydrophobicContact CE2-CZ3 4.37Å; F166-W195 AromaticContact CG-CD2 3.93Å; F166-W195 HydrophobicContact CG-CD2 3.93Å; F166-W195 AromaticContact CG-CE2 3.65Å; F166-W195 HydrophobicContact CG-CE3 4.15Å; F166-W195 AromaticContact CG-CH2 3.97Å; F166-W195 HydrophobicContact CG-CH2 3.97Å; F166-W195 AromaticContact CG-CZ2 3.69Å; F166-W195 HydrophobicContact CG-CZ2 3.69Å; F166-W195 HydrophobicContact CG-CZ3 4.19Å; F166-W195 HydrophobicContact CZ-CZ3 4.24Å; I186-W195 HydrophobicContact CG2-CH2 3.68Å; I186-W195 HydrophobicContact CG2-CZ3 4.29Å; I186-W195 VanDerWaalsContact O-CH2 3.24Å; I186-W195 WeakPolarHBondContact O-CH2 3.3Å; L187-W195 HydrophobicContact CD2-CZ3 4.25Å; N191-W195 HydrophobicContact CB-CH2 3.85Å; N191-W195 HydrophobicContact CB-CZ2 4.15Å; N191-W195 HydrophobicContact CB-CZ3 4.45Å; L192-W195 HydrophobicContact CD2-CE3 3.75Å; L192-W195 HydrophobicContact CD2-CZ3 3.99Å; L192-W195 PolarHBondContact O-N 3.21Å
196Q65.4Low70.6Confident70 Ų7035.6 Ų35.633%0.32717%0.167SC..  trans-67.3133.6164.9-62.7-175-600109K198 T199 A200 E533Q196-K198 PolarHBondContact O-N 2.86Å; Q196-K198 VanDerWaalsContact O-N 3.11Å; Q196-T199 WeakPolarHBondContact O-CB 3.23Å; Q196-T199 PolarHBondContact O-N 2.82Å; Q196-A200 PolarHBondContact O-N 2.85Å; Q196-E533 PolarHBondContact NE2-OE1 2.72Å; Q196-E533 VanDerWaalsContact NE2-OE1 3.09Å
197E68.2Low71.1Confident73 Ų7335.6 Ų35.634%0.34117%0.167SC..Hα-helixtrans-53.1-36.6-179.9-65.8179.217100112T199 A200 I201 V226 L230E197-T199 PolarHBondContact O-N 2.91Å; E197-A200 PolarHBondContact O-N 3.14Å; E197-I201 WeakPolarHBondContact O-CG1 3.02Å; E197-I201 PolarHBondContact O-N 3.08Å; E197-I201 VanDerWaalsContact O-N 3.13Å; E197-V226 HydrophobicContact CB-CG1 4.27Å; E197-V226 HydrophobicContact CG-CG1 4.47Å; E197-L230 HydrophobicContact CB-CD1 4.49Å
198K70.5Confident71.4Confident98 Ų9836 Ų3643%0.42617%0.169SC..Hα-helixtrans-55.8-48.7176.4-170.6-174.2172.6-167.70112.5Q196 A200 I201 E202 Y234Q196-K198 PolarHBondContact O-N 2.86Å; Q196-K198 VanDerWaalsContact O-N 3.11Å; K198-A200 VanDerWaalsContact C-N 3.34Å; K198-A200 PolarHBondContact O-N 3.45Å; K198-I201 PolarHBondContact O-N 3.15Å; K198-E202 WeakPolarHBondContact CE-OE1 3.5Å; K198-E202 WeakPolarHBondContact O-CG 3.48Å; K198-E202 PolarHBondContact O-N 2.79Å; K198-Y234 WeakPolarHBondContact CE-OH 3.43Å; K198-Y234 HydrophobicContact CG-CE1 4.04Å; K198-Y234 WeakPolarHBondContact CG-OH 3.45Å
199T76.1Confident71.8Confident13 Ų1335.7 Ų35.78%0.0817%0.168CC..Hα-helixtrans-62.2-41.9-178.1-49.60000111.4F166 E167 W170 Q196 E197 E202 A203F166-T199 HydrophobicContact CD1-CG2 4.41Å; E167-T199 HydrophobicContact CB-CG2 4.35Å; E167-T199 HydrophobicContact CG-CG2 4.1Å; W170-T199 VanDerWaalsContact NE1-CG2 3.32Å; Q196-T199 WeakPolarHBondContact O-CB 3.23Å; Q196-T199 PolarHBondContact O-N 2.82Å; E197-T199 PolarHBondContact O-N 2.91Å; T199-E202 PolarHBondContact O-N 3.21Å; T199-A203 WeakPolarHBondContact O-CB 3.45Å; T199-A203 PolarHBondContact O-N 3.29Å
200A75.9Confident72.9Confident0 Ų035.5 Ų35.50%017%0.172CC..Hα-helixtrans-64.5-41.2177.400000112.1L187 L192 Q196 E197 K198 A203 V204 V226L187-A200 HydrophobicContact CD2-CB 4.16Å; L192-A200 HydrophobicContact CD2-CB 3.57Å; Q196-A200 PolarHBondContact O-N 2.85Å; E197-A200 PolarHBondContact O-N 3.14Å; K198-A200 VanDerWaalsContact C-N 3.34Å; K198-A200 PolarHBondContact O-N 3.45Å; A200-A203 PolarHBondContact O-N 2.87Å; A200-V204 WeakPolarHBondContact O-CG2 3.5Å; A200-V204 PolarHBondContact O-N 3.14Å; A200-V204 VanDerWaalsContact O-N 3.11Å; A200-V226 HydrophobicContact CB-CG1 4.47Å; A200-V226 HydrophobicContact CB-CG2 4.02Å
201I75.1Confident73.9Confident0 Ų034.4 Ų34.40%017%0.168CC..Hα-helixtrans-66-47.2177.8-66.3166.6000110.9E197 K198 A203 V204 V205 L223 V226 L230 L235E197-I201 WeakPolarHBondContact O-CG1 3.02Å; E197-I201 PolarHBondContact O-N 3.08Å; E197-I201 VanDerWaalsContact O-N 3.13Å; K198-I201 PolarHBondContact O-N 3.15Å; I201-A203 VanDerWaalsContact C-N 3.28Å; I201-A203 PolarHBondContact O-N 3.37Å; I201-V204 PolarHBondContact O-N 3.23Å; I201-V205 HydrophobicContact CG2-CG2 4.34Å; I201-V205 WeakPolarHBondContact O-CG2 3.4Å; I201-V205 PolarHBondContact O-N 3.16Å; I201-L223 HydrophobicContact CG1-CD2 4.24Å; I201-L223 HydrophobicContact CG2-CD2 4.48Å; I201-V226 HydrophobicContact CG1-CG1 4.26Å; I201-L230 HydrophobicContact CD1-CD1 3.58Å; I201-L235 HydrophobicContact CG2-CD2 4.34Å
202E78.1Confident74.6Confident64 Ų6435.9 Ų35.930%0.29918%0.177SC..Hα-helixtrans-58.9-40.5178.3-72.7-179.2170.800111.5W170 K198 T199 V205 K206 Y234W170-E202 HydrophobicContact CH2-CB 3.85Å; W170-E202 HydrophobicContact CZ2-CB 4.3Å; W170-E202 HydrophobicContact CZ3-CB 4.29Å; K198-E202 WeakPolarHBondContact CE-OE1 3.5Å; K198-E202 WeakPolarHBondContact O-CG 3.48Å; K198-E202 PolarHBondContact O-N 2.79Å; T199-E202 PolarHBondContact O-N 3.21Å; E202-V205 PolarHBondContact O-N 3.03Å; E202-K206 WeakPolarHBondContact O-CB 3.45Å; E202-K206 PolarHBondContact O-N 2.79Å; E202-Y234 PolarHBondContact OE1-OH 2.9Å
203A83.9Confident75.4Confident0 Ų043.4 Ų43.40%021%0.212CC..Hα-helixtrans-61.6-47.6175.200000112.7F166 W170 F175 T199 A200 I201 V205 K206 W207F166-A203 HydrophobicContact CE1-CB 4.07Å; F166-A203 HydrophobicContact CZ-CB 3.86Å; W170-A203 HydrophobicContact CB-CB 3.76Å; W170-A203 HydrophobicContact CD2-CB 3.9Å; W170-A203 HydrophobicContact CE3-CB 3.97Å; W170-A203 HydrophobicContact CG-CB 3.79Å; F175-A203 HydrophobicContact CE1-CB 4.15Å; F175-A203 HydrophobicContact CZ-CB 4.03Å; T199-A203 WeakPolarHBondContact O-CB 3.45Å; T199-A203 PolarHBondContact O-N 3.29Å; A200-A203 PolarHBondContact O-N 2.87Å; I201-A203 VanDerWaalsContact C-N 3.28Å; I201-A203 PolarHBondContact O-N 3.37Å; A203-V205 PolarHBondContact O-N 2.74Å; A203-K206 PolarHBondContact O-N 3.41Å; A203-W207 WeakPolarHBondContact O-CB 3.49Å; A203-W207 PolarHBondContact O-N 3.04Å
204V82.2Confident76.5Confident0 Ų046.3 Ų46.30%022%0.223CC..Hα-helixtrans-60.4-45.9177.2172.30000111.1L187 A200 I201 K206 W207 V208 I219 L222 L223L187-V204 HydrophobicContact CD1-CG2 3.3Å; L187-V204 HydrophobicContact CD2-CG2 4.28Å; L187-V204 HydrophobicContact CG-CG2 4.45Å; A200-V204 WeakPolarHBondContact O-CG2 3.5Å; A200-V204 PolarHBondContact O-N 3.14Å; A200-V204 VanDerWaalsContact O-N 3.11Å; I201-V204 PolarHBondContact O-N 3.23Å; V204-K206 PolarHBondContact O-N 2.71Å; V204-W207 PolarHBondContact O-N 2.6Å; V204-V208 HydrophobicContact CG1-CG2 4.36Å; V204-V208 WeakPolarHBondContact O-CG2 3.48Å; V204-V208 PolarHBondContact O-N 2.96Å; V204-I219 HydrophobicContact CG1-CG1 4.01Å; V204-L222 HydrophobicContact CG1-CB 4.08Å; V204-L222 HydrophobicContact CG1-CD1 4.25Å; V204-L222 HydrophobicContact CG2-CB 4.25Å; V204-L223 HydrophobicContact CB-CD2 4.31Å; V204-L223 HydrophobicContact CG1-CD2 4.1Å; V204-L223 HydrophobicContact CG1-CG 4.24Å
205V78.6Confident77.8Confident17 Ų1747.2 Ų47.210%0.10323%0.225CC..Hα-helixtrans-61.3-46.6-180172.20000110.5I201 E202 A203 W207 V208 A209I201-V205 HydrophobicContact CG2-CG2 4.34Å; I201-V205 WeakPolarHBondContact O-CG2 3.4Å; I201-V205 PolarHBondContact O-N 3.16Å; E202-V205 PolarHBondContact O-N 3.03Å; A203-V205 PolarHBondContact O-N 2.74Å; V205-W207 VanDerWaalsContact C-N 3.32Å; V205-W207 PolarHBondContact O-N 3.46Å; V205-V208 PolarHBondContact O-N 3.39Å; V205-A209 WeakPolarHBondContact O-CB 3.32Å; V205-A209 PolarHBondContact O-N 3.41Å
206K83.4Confident78Confident54 Ų5447.7 Ų47.724%0.23523%0.229CC..Hα-helixtrans-59-42.8177.3-172.6-174.1169.8-168.40111.7W170 K171 L176 E202 A203 V204 A209 H210W170-K206 HydrophobicContact CE3-CD 3.79Å; W170-K206 HydrophobicContact CZ3-CB 4.27Å; W170-K206 HydrophobicContact CZ3-CD 3.67Å; W170-K206 PolarHBondContact O-NZ 2.85Å; K171-K206 VanDerWaalsContact C-NZ 3.31Å; K171-K206 PolarHBondContact O-NZ 3.47Å; L176-K206 HydrophobicContact CD2-CD 4.43Å; L176-K206 HydrophobicContact CD2-CG 4.04Å; E202-K206 WeakPolarHBondContact O-CB 3.45Å; E202-K206 PolarHBondContact O-N 2.79Å; A203-K206 PolarHBondContact O-N 3.41Å; V204-K206 PolarHBondContact O-N 2.71Å; K206-A209 PolarHBondContact O-N 2.7Å; K206-H210 PolarHBondContact O-N 2.96Å
207W88Confident78.4Confident6 Ų651.8 Ų51.82%0.02325%0.248CC..Hα-helixtrans-66.6-43.2178.9-179.188.8000113.2F175 I178 K180 L183 A203 V204 V205 A209 H210 R215 C218 L222F175-W207 HydrophobicContact CE1-CB 4.05Å; I178-W207 WeakPolarHBondContact O-CZ2 3.4Å; I178-W207 PolarHBondContact O-NE1 3.32Å; K180-W207 HydrophobicContact CB-CH2 4.29Å; L183-W207 HydrophobicContact CD2-CB 4.09Å; L183-W207 HydrophobicContact CD2-CD2 3.37Å; L183-W207 HydrophobicContact CD2-CE3 3.65Å; L183-W207 HydrophobicContact CD2-CG 3.56Å; L183-W207 HydrophobicContact CD2-CZ2 4.36Å; L183-W207 HydrophobicContact CD2-CZ3 4.25Å; A203-W207 WeakPolarHBondContact O-CB 3.49Å; A203-W207 PolarHBondContact O-N 3.04Å; V204-W207 PolarHBondContact O-N 2.6Å; V205-W207 VanDerWaalsContact C-N 3.32Å; V205-W207 PolarHBondContact O-N 3.46Å; W207-A209 VanDerWaalsContact C-N 3.33Å; W207-A209 PolarHBondContact O-N 3Å; W207-H210 PolarHBondContact O-N 3.39Å; W207-R215 HydrophobicContact CE3-CB 4.17Å; W207-R215 HydrophobicContact CE3-CG 4.27Å; W207-R215 HydrophobicContact CH2-CB 3.98Å; W207-R215 HydrophobicContact CH2-CG 3.56Å; W207-R215 HydrophobicContact CZ2-CG 4.08Å; W207-R215 HydrophobicContact CZ3-CB 3.59Å; W207-R215 HydrophobicContact CZ3-CG 3.68Å; W207-R215 WeakPolarHBondContact O-CD 3.46Å; W207-R215 PolarHBondContact O-NH1 2.9Å; W207-C218 HydrophobicContact CZ3-CB 4.48Å; W207-L222 HydrophobicContact CE3-CD1 3.9Å; W207-L222 HydrophobicContact CH2-CD1 4.49Å; W207-L222 HydrophobicContact CZ3-CD1 3.68Å
208V81.8Confident78.7Confident7 Ų749.1 Ų49.14%0.04224%0.238CC..Hα-helixtrans-64.7-40.4177.1172.20000110.8V204 V205 H210 N211 V212 R215 I219V204-V208 HydrophobicContact CG1-CG2 4.36Å; V204-V208 WeakPolarHBondContact O-CG2 3.48Å; V204-V208 PolarHBondContact O-N 2.96Å; V205-V208 PolarHBondContact O-N 3.39Å; V208-H210 PolarHBondContact O-N 3.34Å; V208-N211 CarbonylContact O-C 3.5Å; V208-N211 PolarHBondContact O-N 2.87Å; V208-V212 WeakPolarHBondContact O-CA 3.5Å; V208-V212 PolarHBondContact O-N 3.28Å; V208-R215 HydrophobicContact CB-CB 4.48Å; V208-R215 HydrophobicContact CG1-CB 4.35Å; V208-R215 HydrophobicContact CG2-CB 4.35Å; V208-I219 HydrophobicContact CG1-CD1 4.46Å; V208-I219 HydrophobicContact CG2-CB 4.07Å; V208-I219 HydrophobicContact CG2-CD1 4.18Å; V208-I219 HydrophobicContact CG2-CG1 3.99Å
209A79.4Confident78.8Confident21 Ų2145.5 Ų45.517%0.17422%0.223CC..Hα-helixtrans-69-18.1-177.100000115.2V205 K206 W207V205-A209 WeakPolarHBondContact O-CB 3.32Å; V205-A209 PolarHBondContact O-N 3.41Å; K206-A209 PolarHBondContact O-N 2.7Å; W207-A209 VanDerWaalsContact C-N 3.33Å; W207-A209 PolarHBondContact O-N 3Å
210H84.4Confident78.4Confident104 Ų10449.3 Ų49.348%0.48124%0.236SC..Hα-helixtrans-67.3-36.9172.7-176.176.6000112L176 K206 W207 V208L176-H210 HydrophobicContact CB-CB 4.31Å; L176-H210 HydrophobicContact CD1-CB 4.45Å; L176-H210 HydrophobicContact CD2-CB 4.2Å; K206-H210 PolarHBondContact O-N 2.96Å; W207-H210 PolarHBondContact O-N 3.39Å; V208-H210 PolarHBondContact O-N 3.34Å
211N82.1Confident78.2Confident48 Ų4853.2 Ų53.226%0.25726%0.255SS..SBendtrans-142.880.1176.5-178.4-8.8000110.1V208 E213 E214 R215V208-N211 CarbonylContact O-C 3.5Å; V208-N211 PolarHBondContact O-N 2.87Å; N211-E213 VanDerWaalsContact C-N 3.33Å; N211-E213 PolarHBondContact O-N 3.15Å; N211-E214 PolarHBondContact ND2-OE2 2.97Å; N211-E214 PolarHBondContact OD1-N 2.88Å; N211-R215 HydrophobicContact CB-CG 4.25Å; N211-R215 WeakPolarHBondContact O-CB 3.39Å; N211-R215 VanDerWaalsContact O-CG 3.25Å; N211-R215 WeakPolarHBondContact O-CG 3.2Å; N211-R215 PolarHBondContact O-N 3.13Å; N211-R215 VanDerWaalsContact O-N 3.07Å
212V75.6Confident78.2Confident33 Ų3353.2 Ų53.220%0.226%0.255CS..Hα-helixtrans-64.1-38.2-172.7179.30000111.9V208 E214 I216 L247V208-V212 WeakPolarHBondContact O-CA 3.5Å; V208-V212 PolarHBondContact O-N 3.28Å; V212-E214 PolarHBondContact O-N 3.32Å; V212-I216 HydrophobicContact CG1-CD1 4.44Å; V212-I216 WeakPolarHBondContact O-CB 3.44Å; V212-I216 VanDerWaalsContact O-CG2 3.22Å; V212-I216 WeakPolarHBondContact O-CG2 3.09Å; V212-I216 PolarHBondContact O-N 3.42Å; V212-I216 VanDerWaalsContact O-N 3.15Å; V212-L247 HydrophobicContact CG1-CD1 4.18Å; V212-L247 HydrophobicContact CG1-CD2 3.82Å; V212-L247 HydrophobicContact CG1-CG 4.26Å
213E76Confident77.8Confident178 Ų17850.8 Ų50.883%0.83224%0.244SC*.Hα-helixtrans-64.1-43.4-172.7-64.3-175.9-179.800111.9N211N211-E213 VanDerWaalsContact C-N 3.33Å; N211-E213 PolarHBondContact O-N 3.15Å
214E79.9Confident77Confident143 Ų14352.7 Ų52.767%0.66826%0.257SS*.Hα-helixtrans-89.1-31.3-179.2-63.8-179.416300113.1N211 V212N211-E214 PolarHBondContact ND2-OE2 2.97Å; N211-E214 PolarHBondContact OD1-N 2.88Å; V212-E214 PolarHBondContact O-N 3.32Å
215R82.3Confident76.3Confident31 Ų3153.1 Ų53.112%0.11726%0.26CS..Hα-helixtrans-95.2-15.9-168.6-60.7177.4176.2-177.8-2.7114.3L176 W207 V208 N211 E217 C218 I219L176-R215 VanDerWaalsContact O-CZ 3.25Å; L176-R215 PolarHBondContact O-NH1 2.89Å; L176-R215 PolarHBondContact O-NH2 2.85Å; W207-R215 HydrophobicContact CE3-CB 4.17Å; W207-R215 HydrophobicContact CE3-CG 4.27Å; W207-R215 HydrophobicContact CH2-CB 3.98Å; W207-R215 HydrophobicContact CH2-CG 3.56Å; W207-R215 HydrophobicContact CZ2-CG 4.08Å; W207-R215 HydrophobicContact CZ3-CB 3.59Å; W207-R215 HydrophobicContact CZ3-CG 3.68Å; W207-R215 WeakPolarHBondContact O-CD 3.46Å; W207-R215 PolarHBondContact O-NH1 2.9Å; V208-R215 HydrophobicContact CB-CB 4.48Å; V208-R215 HydrophobicContact CG1-CB 4.35Å; V208-R215 HydrophobicContact CG2-CB 4.35Å; N211-R215 HydrophobicContact CB-CG 4.25Å; N211-R215 WeakPolarHBondContact O-CB 3.39Å; N211-R215 VanDerWaalsContact O-CG 3.25Å; N211-R215 WeakPolarHBondContact O-CG 3.2Å; N211-R215 PolarHBondContact O-N 3.13Å; N211-R215 VanDerWaalsContact O-N 3.07Å; R215-E217 PolarHBondContact O-N 3.34Å; R215-C218 WeakPolarHBondContact O-CB 3.41Å; R215-C218 PolarHBondContact O-N 3.32Å; R215-I219 PolarHBondContact O-N 3.43Å
216I71.5Confident75.7Confident41 Ų4152.7 Ų52.721%0.2126%0.257CS..G310 helixtrans-61.2-32.9-177.8-170.9159.3000113.1V212 C218 I219 L247V212-I216 HydrophobicContact CG1-CD1 4.44Å; V212-I216 WeakPolarHBondContact O-CB 3.44Å; V212-I216 VanDerWaalsContact O-CG2 3.22Å; V212-I216 WeakPolarHBondContact O-CG2 3.09Å; V212-I216 PolarHBondContact O-N 3.42Å; V212-I216 VanDerWaalsContact O-N 3.15Å; I216-C218 PolarHBondContact O-N 3.1Å; I216-I219 WeakPolarHBondContact O-CG2 3.47Å; I216-I219 PolarHBondContact O-N 2.87Å; I216-L247 HydrophobicContact CD1-CD1 3.43Å; I216-L247 VanDerWaalsContact CD1-CD1 3.43Å; I216-L247 HydrophobicContact CD1-CD2 3.09Å; I216-L247 HydrophobicContact CD1-CG 3.82Å
217E73.3Confident74.4Confident156 Ų15657.1 Ų57.173%0.72928%0.276SS*.G310 helixtrans-68.4-24.1177.9-57.9-164154.800111.8R215R215-E217 PolarHBondContact O-N 3.34Å
218C74Confident72.8Confident18 Ų1858 Ų5812%0.12228%0.282CS..G310 helixtrans-86.2-17.6-178.1-57.30000113.3K180 W207 R215 I216 Y220 E221 L222K180-C218 HydrophobicContact CD-CB 4.11Å; K180-C218 WeakPolarHBondContact CD-SG 3.33Å; K180-C218 VanDerWaalsContact CE-SG 3.51Å; K180-C218 HydrophobicContact CG-CB 4.16Å; W207-C218 HydrophobicContact CZ3-CB 4.48Å; R215-C218 WeakPolarHBondContact O-CB 3.41Å; R215-C218 PolarHBondContact O-N 3.32Å; I216-C218 PolarHBondContact O-N 3.1Å; C218-Y220 PolarHBondContact O-N 2.91Å; C218-Y220 VanDerWaalsContact O-N 3.16Å; C218-E221 PolarHBondContact O-N 2.89Å; C218-E221 VanDerWaalsContact O-N 3.15Å; C218-L222 WeakPolarHBondContact O-CG 3.4Å; C218-L222 PolarHBondContact O-N 2.79Å; C218-L222 VanDerWaalsContact O-N 3.12Å
219I73.8Confident71.1Confident21 Ų2165.3 Ų65.311%0.10832%0.32CS..Hα-helixtrans-57.7-35.2-174.8-160.3172.8000112V204 V208 R215 I216 L223 L239V204-I219 HydrophobicContact CG1-CG1 4.01Å; V208-I219 HydrophobicContact CG1-CD1 4.46Å; V208-I219 HydrophobicContact CG2-CB 4.07Å; V208-I219 HydrophobicContact CG2-CD1 4.18Å; V208-I219 HydrophobicContact CG2-CG1 3.99Å; R215-I219 PolarHBondContact O-N 3.43Å; I216-I219 WeakPolarHBondContact O-CG2 3.47Å; I216-I219 PolarHBondContact O-N 2.87Å; I219-L223 HydrophobicContact CD1-CD1 4.27Å; I219-L223 HydrophobicContact CG1-CD1 3.84Å; I219-L223 HydrophobicContact CG1-CG 4.13Å; I219-L223 VanDerWaalsContact O-CB 3.28Å; I219-L223 WeakPolarHBondContact O-CB 3.29Å; I219-L223 VanDerWaalsContact O-CG 3.3Å; I219-L223 WeakPolarHBondContact O-CG 3.31Å; I219-L223 PolarHBondContact O-N 2.81Å; I219-L239 HydrophobicContact CD1-CD2 4.43Å
220Y66.8Low69.6Low93 Ų9367 Ų6737%0.36533%0.326SS..Hα-helixtrans-63.2-49.5179.1170.6-96.3000111.6C218 L222 L223 S224 N258 A259C218-Y220 PolarHBondContact O-N 2.91Å; C218-Y220 VanDerWaalsContact O-N 3.16Å; Y220-L222 VanDerWaalsContact C-N 3.34Å; Y220-L222 PolarHBondContact O-N 2.96Å; Y220-L223 PolarHBondContact O-N 3.01Å; Y220-S224 WeakPolarHBondContact O-CB 3.43Å; Y220-S224 PolarHBondContact O-N 3.28Å; Y220-N258 HydrophobicContact CE2-CB 4.16Å; Y220-A259 HydrophobicContact CD2-CB 4.29Å; Y220-A259 HydrophobicContact CE2-CB 4.16Å
221E71.4Confident67.9Low83 Ų8367.6 Ų67.639%0.38833%0.333SS..Hα-helixtrans-64.2-41.8-179.6-68.3176.4-160.300111K180 C218 S224 C225K180-E221 WeakPolarHBondContact CE-OE2 3.47Å; K180-E221 VanDerWaalsContact NZ-CD 3.33Å; K180-E221 IonicContact NZ-OE1 2.81Å; K180-E221 PolarHBondContact NZ-OE1 2.67Å; K180-E221 IonicContact NZ-OE2 2.63Å; K180-E221 PolarHBondContact NZ-OE2 2.97Å; C218-E221 PolarHBondContact O-N 2.89Å; C218-E221 VanDerWaalsContact O-N 3.15Å; E221-S224 PolarHBondContact O-N 3.25Å; E221-S224 PolarHBondContact O-OG 3.21Å; E221-C225 PolarHBondContact O-SG 2.91Å; E221-C225 VanDerWaalsContact O-SG 3.33Å
222L75.3Confident66.4Low0 Ų068.6 Ų68.60%034%0.344CS..Hα-helixtrans-66.2-45.5178.5-64.2178.2000112.2L183 F184 L187 V204 W207 C218 Y220 S224 C225L183-L222 HydrophobicContact CD2-CD1 3.66Å; L183-L222 HydrophobicContact CD2-CD2 4.45Å; L183-L222 HydrophobicContact CG-CD1 4.28Å; L183-L222 HydrophobicContact CG-CD2 4.18Å; F184-L222 HydrophobicContact CB-CD2 3.95Å; F184-L222 HydrophobicContact CD2-CD2 4.26Å; L187-L222 HydrophobicContact CD1-CB 4.21Å; L187-L222 HydrophobicContact CD1-CD2 4.15Å; V204-L222 HydrophobicContact CG1-CB 4.08Å; V204-L222 HydrophobicContact CG1-CD1 4.25Å; V204-L222 HydrophobicContact CG2-CB 4.25Å; W207-L222 HydrophobicContact CE3-CD1 3.9Å; W207-L222 HydrophobicContact CH2-CD1 4.49Å; W207-L222 HydrophobicContact CZ3-CD1 3.68Å; C218-L222 WeakPolarHBondContact O-CG 3.4Å; C218-L222 PolarHBondContact O-N 2.79Å; C218-L222 VanDerWaalsContact O-N 3.12Å; Y220-L222 VanDerWaalsContact C-N 3.34Å; Y220-L222 PolarHBondContact O-N 2.96Å; L222-S224 VanDerWaalsContact C-N 3.33Å; L222-S224 PolarHBondContact O-N 3.12Å; L222-C225 WeakPolarHBondContact O-CB 3.4Å; L222-C225 PolarHBondContact O-N 3.05Å
223L70.2Confident64.8Low13 Ų1373.5 Ų73.57%0.06837%0.366CS..Hα-helixtrans-70.4-28.4178.5-72.4-179.6000112.7I201 V204 I219 Y220 C225 V226 I228I201-L223 HydrophobicContact CG1-CD2 4.24Å; I201-L223 HydrophobicContact CG2-CD2 4.48Å; V204-L223 HydrophobicContact CB-CD2 4.31Å; V204-L223 HydrophobicContact CG1-CD2 4.1Å; V204-L223 HydrophobicContact CG1-CG 4.24Å; I219-L223 HydrophobicContact CD1-CD1 4.27Å; I219-L223 HydrophobicContact CG1-CD1 3.84Å; I219-L223 HydrophobicContact CG1-CG 4.13Å; I219-L223 VanDerWaalsContact O-CB 3.28Å; I219-L223 WeakPolarHBondContact O-CB 3.29Å; I219-L223 VanDerWaalsContact O-CG 3.3Å; I219-L223 WeakPolarHBondContact O-CG 3.31Å; I219-L223 PolarHBondContact O-N 2.81Å; Y220-L223 PolarHBondContact O-N 3.01Å; L223-C225 PolarHBondContact O-N 3.26Å; L223-V226 PolarHBondContact O-N 3.36Å; L223-V226 VanDerWaalsContact O-O 3.07Å; L223-I228 HydrophobicContact CB-CD1 4.27Å
224S67.8Low63.6Low40 Ų4068.1 Ų68.128%0.2834%0.338SS..Hα-helixtrans-63.2-19.917577.70000113.6R189 Y220 E221 L222R189-S224 PolarHBondContact NH2-O 2.82Å; Y220-S224 WeakPolarHBondContact O-CB 3.43Å; Y220-S224 PolarHBondContact O-N 3.28Å; E221-S224 PolarHBondContact O-N 3.25Å; E221-S224 PolarHBondContact O-OG 3.21Å; L222-S224 VanDerWaalsContact C-N 3.33Å; L222-S224 PolarHBondContact O-N 3.12Å
225C66.9Low62.3Low9 Ų961.6 Ų61.66%0.06131%0.308CS..Hα-helixtrans-72.8-35.5174.5-59.50000111.5F184 L187 R189 L192 E221 L222 L223F184-C225 WeakPolarHBondContact CE2-SG 3.47Å; L187-C225 HydrophobicContact CB-CB 4.43Å; L187-C225 WeakPolarHBondContact O-CB 3.49Å; R189-C225 WeakPolarHBondContact CG-O 3.24Å; R189-C225 PolarHBondContact NE-O 3.37Å; L192-C225 VanDerWaalsContact CD1-C 3.44Å; L192-C225 HydrophobicContact CD1-CB 4.26Å; L192-C225 WeakPolarHBondContact CD1-O 3.44Å; E221-C225 PolarHBondContact O-SG 2.91Å; E221-C225 VanDerWaalsContact O-SG 3.33Å; L222-C225 WeakPolarHBondContact O-CB 3.4Å; L222-C225 PolarHBondContact O-N 3.05Å; L223-C225 PolarHBondContact O-N 3.26Å
226V64.8Low60.8Low7 Ų767.2 Ų67.24%0.04233%0.329CS..SBendtrans-80.5129.9178.5-168.50000109.3L192 E197 A200 I201 L223 I228L192-V226 HydrophobicContact CD1-CB 4.35Å; L192-V226 HydrophobicContact CD1-CG2 4.02Å; L192-V226 HydrophobicContact CD2-CG2 4.01Å; E197-V226 HydrophobicContact CB-CG1 4.27Å; E197-V226 HydrophobicContact CG-CG1 4.47Å; A200-V226 HydrophobicContact CB-CG1 4.47Å; A200-V226 HydrophobicContact CB-CG2 4.02Å; I201-V226 HydrophobicContact CG1-CG1 4.26Å; L223-V226 PolarHBondContact O-N 3.36Å; L223-V226 VanDerWaalsContact O-O 3.07Å; V226-I228 PolarHBondContact O-N 3.29Å
227K56.8Low59.8Low147 Ų14767.9 Ų67.964%0.63934%0.338SS*.  trans-66.8116.5166.1-83.4-174.3175.2-177.50106.8
228I53.9Low58.8Low26 Ų2661 Ų6113%0.13331%0.307CS..  trans-99.493.8176.7-57.7174.9000106.3L223 V226 L230 L235 L260L223-I228 HydrophobicContact CB-CD1 4.27Å; V226-I228 PolarHBondContact O-N 3.29Å; I228-L230 VanDerWaalsContact C-N 3.27Å; I228-L230 HydrophobicContact CG2-CB 4.24Å; I228-L235 HydrophobicContact CG2-CD1 4Å; I228-L260 HydrophobicContact CB-CD2 4.43Å; I228-L260 HydrophobicContact CG2-CD2 4.19Å
229D46.1Very low57.8Low160 Ų16062.2 Ų62.286%0.85631%0.313SS*.  trans-9514.4164.7-122.6-6.3000111.3
230L47.7Very low56.6Low57 Ų5765 Ų6530%0.29833%0.334SS..  trans-87137.4-171.5-86.8154.9000113.7E197 I201 I228 S232E197-L230 HydrophobicContact CB-CD1 4.49Å; I201-L230 HydrophobicContact CD1-CD1 3.58Å; I228-L230 VanDerWaalsContact C-N 3.27Å; I228-L230 HydrophobicContact CG2-CB 4.24Å; L230-S232 PolarHBondContact O-N 3.14Å
231D49.9Very low55.7Low116 Ų11667.2 Ų67.262%0.6235%0.352SS*.  trans-53.1130.3174.8-162.3-7.5000111.1M233 Y234D231-M233 PolarHBondContact O-N 3.06Å; D231-Y234 PolarHBondContact O-N 2.92Å
232S49.7Very low54.6Low69 Ų6966.8 Ų66.848%0.48335%0.349SS..Hα-helixtrans-52-14-175.964.80000115L230 R236L230-S232 PolarHBondContact O-N 3.14Å; S232-R236 WeakPolarHBondContact O-CD 3.04Å; S232-R236 VanDerWaalsContact O-CG 3.26Å; S232-R236 WeakPolarHBondContact O-CG 3.31Å
233M42.4Very low53.4Low136 Ų13676.9 Ų76.967%0.6739%0.394SS*.Hα-helixtrans-78.4-36179.2-155.8170.1-172.400113.6D231 R236 S237D231-M233 PolarHBondContact O-N 3.06Å; M233-R236 WeakPolarHBondContact O-CB 3.31Å; M233-R236 PolarHBondContact O-N 3.29Å; M233-S237 PolarHBondContact O-N 3.23Å; M233-S237 VanDerWaalsContact O-N 3.08Å; M233-S237 PolarHBondContact O-OG 2.9Å
234Y51.8Low52.2Low64 Ų6485.6 Ų85.625%0.25143%0.431SS..Hα-helixtrans-75.3-39.9-178-179.5-96.9000112.3K198 E202 D231 R236 S237 A238K198-Y234 WeakPolarHBondContact CE-OH 3.43Å; K198-Y234 HydrophobicContact CG-CE1 4.04Å; K198-Y234 WeakPolarHBondContact CG-OH 3.45Å; E202-Y234 PolarHBondContact OE1-OH 2.9Å; D231-Y234 PolarHBondContact O-N 2.92Å; Y234-R236 VanDerWaalsContact C-N 3.28Å; Y234-R236 PolarHBondContact O-N 2.76Å; Y234-S237 PolarHBondContact O-N 3.06Å; Y234-S237 VanDerWaalsContact O-N 3.13Å; Y234-A238 PolarHBondContact O-N 2.88Å
235L52.8Low51.1Low7 Ų785.3 Ų85.34%0.03743%0.428CS..Hα-helixtrans-57.1-42.2170.3-87.6162.1000111.3I201 I228 A238 L239 V256I201-L235 HydrophobicContact CG2-CD2 4.34Å; I228-L235 HydrophobicContact CG2-CD1 4Å; L235-A238 PolarHBondContact O-N 3.05Å; L235-L239 VanDerWaalsContact O-CB 3.29Å; L235-L239 WeakPolarHBondContact O-CB 3.34Å; L235-L239 VanDerWaalsContact O-CD1 3.29Å; L235-L239 WeakPolarHBondContact O-CD1 3.38Å; L235-L239 WeakPolarHBondContact O-CG 3.45Å; L235-L239 PolarHBondContact O-N 3.47Å; L235-V256 HydrophobicContact CD1-CG1 3.96Å
236R50.6Low50.2Low148 Ų14896.6 Ų96.656%0.55847%0.47SS*.Hα-helixtrans-60.9-45.1174.6-74.1173.3-169.2-176.56.1111.5S232 M233 Y234 S240S232-R236 WeakPolarHBondContact O-CD 3.04Å; S232-R236 VanDerWaalsContact O-CG 3.26Å; S232-R236 WeakPolarHBondContact O-CG 3.31Å; M233-R236 WeakPolarHBondContact O-CB 3.31Å; M233-R236 PolarHBondContact O-N 3.29Å; Y234-R236 VanDerWaalsContact C-N 3.28Å; Y234-R236 PolarHBondContact O-N 2.76Å; R236-S240 WeakPolarHBondContact O-CB 3.4Å; R236-S240 PolarHBondContact O-N 3.46Å; R236-S240 PolarHBondContact O-OG 2.86Å; R236-S240 VanDerWaalsContact O-OG 3.05Å
237S50.2Low49.5Very low55 Ų5598.6 Ų98.639%0.38548%0.48SS..Hα-helixtrans-62.6-48.5177.6-63.90000111.9M233 Y234 L239 S240 L241M233-S237 PolarHBondContact O-N 3.23Å; M233-S237 VanDerWaalsContact O-N 3.08Å; M233-S237 PolarHBondContact O-OG 2.9Å; Y234-S237 PolarHBondContact O-N 3.06Å; Y234-S237 VanDerWaalsContact O-N 3.13Å; S237-L239 PolarHBondContact O-N 2.81Å; S237-S240 WeakPolarHBondContact CA-OG 3.35Å; S237-S240 PolarHBondContact O-N 3.46Å; S237-S240 PolarHBondContact O-OG 3.43Å; S237-L241 WeakPolarHBondContact O-CB 3.45Å; S237-L241 WeakPolarHBondContact O-CD1 3.5Å; S237-L241 PolarHBondContact O-N 2.89Å
238A51Low49.1Very low11 Ų1198.2 Ų98.29%0.09149%0.485CS..Hα-helixtrans-62.4-42.5179.600000112.9Y234 L235 L241Y234-A238 PolarHBondContact O-N 2.88Å; L235-A238 PolarHBondContact O-N 3.05Å; A238-L241 PolarHBondContact O-N 2.74Å
239L53.5Low49Very low44 Ų44102.6 Ų102.623%0.2351%0.509CS..Hα-helixtrans-69.9-30.3175.3-74157.6000112.7I219 L235 S237 I252I219-L239 HydrophobicContact CD1-CD2 4.43Å; L235-L239 VanDerWaalsContact O-CB 3.29Å; L235-L239 WeakPolarHBondContact O-CB 3.34Å; L235-L239 VanDerWaalsContact O-CD1 3.29Å; L235-L239 WeakPolarHBondContact O-CD1 3.38Å; L235-L239 WeakPolarHBondContact O-CG 3.45Å; L235-L239 PolarHBondContact O-N 3.47Å; S237-L239 PolarHBondContact O-N 2.81Å; L239-I252 HydrophobicContact CD1-CG2 3.59Å; L239-I252 HydrophobicContact CD2-CD1 4.5Å
240S48.8Very low49.2Very low81 Ų81100.8 Ų100.857%0.56650%0.499SS*.Hα-helixtrans-80.4-19.2176.573.50000114.4R236 S237 Q242R236-S240 WeakPolarHBondContact O-CB 3.4Å; R236-S240 PolarHBondContact O-N 3.46Å; R236-S240 PolarHBondContact O-OG 2.86Å; R236-S240 VanDerWaalsContact O-OG 3.05Å; S237-S240 WeakPolarHBondContact CA-OG 3.35Å; S237-S240 PolarHBondContact O-N 3.46Å; S237-S240 PolarHBondContact O-OG 3.43Å; S240-Q242 VanDerWaalsContact C-N 3.32Å; S240-Q242 PolarHBondContact O-N 2.84Å
241L47.6Very low49.3Very low139 Ų139105.3 Ų105.373%0.72852%0.516SS*.SBendtrans-74-19.1-171-106.6149.3000113.6S237 A238S237-L241 WeakPolarHBondContact O-CB 3.45Å; S237-L241 WeakPolarHBondContact O-CD1 3.5Å; S237-L241 PolarHBondContact O-N 2.89Å; A238-L241 PolarHBondContact O-N 2.74Å
242Q49.8Very low49.4Very low73 Ų73101.3 Ų101.334%0.34150%0.495SS..  trans-101.292.7169.5-85.1170.1-37.800110.8S240 K244 C245S240-Q242 VanDerWaalsContact C-N 3.32Å; S240-Q242 PolarHBondContact O-N 2.84Å; Q242-K244 PolarHBondContact O-N 2.81Å; Q242-C245 PolarHBondContact O-N 2.9Å
243K48.2Very low49.3Very low213 Ų213105 Ų10593%0.92650%0.498SS*.THydrogen-bonded Turntrans-49.60.8172.5-76.6178.6174.6175.10116.3
244K46Very low49.8Very low195 Ų195101.5 Ų101.585%0.84849%0.487SS*.THydrogen-bonded Turntrans-97.8-20.2176-78.7-176.8174.6-179.80114.1Q242 R246Q242-K244 PolarHBondContact O-N 2.81Å; K244-R246 PolarHBondContact O-N 2.96Å
245C45.4Very low49.8Very low34 Ų34101.3 Ų101.323%0.2349%0.49CS..  trans-78.585.7178.6-69.20000109.8Q242 L247Q242-C245 PolarHBondContact O-N 2.9Å; C245-L247 HydrophobicContact CB-CD1 3.8Å; C245-L247 HydrophobicContact CB-CG 4Å; C245-L247 PolarHBondContact O-N 3.31Å
246R47.7Very low49.6Very low246 Ų246102.7 Ų102.793%0.92850%0.499SS*.  trans-69.770.3166.5-77.1-173.7173.8-178.6-0.6109.7K244K244-R246 PolarHBondContact O-N 2.96Å
247L48.8Very low49.5Very low49 Ų49103.9 Ų103.926%0.25750%0.504SS..  trans-106.4129.1-178.9-63.8174.4000109.5V212 I216 C245 D249 I252V212-L247 HydrophobicContact CG1-CD1 4.18Å; V212-L247 HydrophobicContact CG1-CD2 3.82Å; V212-L247 HydrophobicContact CG1-CG 4.26Å; I216-L247 HydrophobicContact CD1-CD1 3.43Å; I216-L247 VanDerWaalsContact CD1-CD1 3.43Å; I216-L247 HydrophobicContact CD1-CD2 3.09Å; I216-L247 HydrophobicContact CD1-CG 3.82Å; C245-L247 HydrophobicContact CB-CD1 3.8Å; C245-L247 HydrophobicContact CB-CG 4Å; C245-L247 PolarHBondContact O-N 3.31Å; L247-D249 PolarHBondContact O-N 2.66Å; L247-D249 VanDerWaalsContact O-N 3.15Å; L247-I252 HydrophobicContact CB-CD1 3.57Å; L247-I252 HydrophobicContact CB-CG1 4.46Å; L247-I252 HydrophobicContact CD1-CD1 3.92Å; L247-I252 HydrophobicContact CG-CD1 4.39Å
248N48.8Very low49.4Very low140 Ų140106.1 Ų106.175%0.74951%0.512SS*.  trans-63.2114.7175.7-82.2-12.2000109.6N250 K251N248-N250 PolarHBondContact O-N 2.94Å; N248-K251 PolarHBondContact O-N 2.91Å
249D53Low49.1Very low118 Ų118106.3 Ų106.363%0.63151%0.513SS*.Hα-helixtrans-45.8-28.1-177.9-91.4-28.9000114.8L247 R253L247-D249 PolarHBondContact O-N 2.66Å; L247-D249 VanDerWaalsContact O-N 3.15Å; D249-R253 WeakPolarHBondContact O-CB 3.15Å; D249-R253 VanDerWaalsContact O-CG 3.29Å; D249-R253 WeakPolarHBondContact O-CG 3.44Å; D249-R253 PolarHBondContact O-N 3.08Å
250N49.3Very low48.9Very low122 Ų122108.1 Ų108.165%0.65252%0.523SS*.Hα-helixtrans-77.6-28.3-177.4-69.6-19.2000114.2N248 S254N248-N250 PolarHBondContact O-N 2.94Å; N250-S254 PolarHBondContact O-N 2.74Å
251K50.6Low48.8Very low151 Ų151110.9 Ų110.966%0.65753%0.531SS*.Hα-helixtrans-80.4-34.8-178.6-148.3178.5-175.8-172.50111.3N248 S254 L255N248-K251 PolarHBondContact O-N 2.91Å; K251-S254 PolarHBondContact O-OG 2.9Å; K251-S254 VanDerWaalsContact O-OG 3.06Å; K251-L255 WeakPolarHBondContact O-CB 3.32Å; K251-L255 WeakPolarHBondContact O-CD1 3.39Å; K251-L255 WeakPolarHBondContact O-CG 3.18Å; K251-L255 PolarHBondContact O-N 3.25Å
252I51Low48.7Very low33 Ų33107.8 Ų107.817%0.16952%0.52CS..Hα-helixtrans-68.4-41.1172.7-65167.3000110.5L239 L247 S254 L255 V256L239-I252 HydrophobicContact CD1-CG2 3.59Å; L239-I252 HydrophobicContact CD2-CD1 4.5Å; L247-I252 HydrophobicContact CB-CD1 3.57Å; L247-I252 HydrophobicContact CB-CG1 4.46Å; L247-I252 HydrophobicContact CD1-CD1 3.92Å; L247-I252 HydrophobicContact CG-CD1 4.39Å; I252-S254 PolarHBondContact O-N 3.01Å; I252-L255 PolarHBondContact O-N 2.81Å; I252-V256 HydrophobicContact CG2-CG2 3.98Å; I252-V256 WeakPolarHBondContact O-CB 3.42Å; I252-V256 VanDerWaalsContact O-CG2 3.3Å; I252-V256 WeakPolarHBondContact O-CG2 3.28Å; I252-V256 PolarHBondContact O-N 2.79Å
253R48.8Very low48.2Very low145 Ų145108.9 Ų108.955%0.54754%0.535SS..Hα-helixtrans-57.4-42.8177.1-84.2176.8175.9175.6-0.2113.3D249 Y257D249-R253 WeakPolarHBondContact O-CB 3.15Å; D249-R253 VanDerWaalsContact O-CG 3.29Å; D249-R253 WeakPolarHBondContact O-CG 3.44Å; D249-R253 PolarHBondContact O-N 3.08Å; R253-Y257 WeakPolarHBondContact O-CB 3.4Å; R253-Y257 PolarHBondContact O-N 2.82Å
254S52.9Low47.9Very low63 Ų63104.8 Ų104.844%0.44153%0.53SS..Hα-helixtrans-72.4-35.2177.7600000112.9N250 K251 I252 N258N250-S254 PolarHBondContact O-N 2.74Å; K251-S254 PolarHBondContact O-OG 2.9Å; K251-S254 VanDerWaalsContact O-OG 3.06Å; I252-S254 PolarHBondContact O-N 3.01Å; S254-N258 PolarHBondContact O-N 3.19Å
255L49.9Very low47.6Very low61 Ų61104.1 Ų104.132%0.31953%0.527SS..Hα-helixtrans-68.8-41177.8-72.8169.4000112.6K251 I252 A259K251-L255 WeakPolarHBondContact O-CB 3.32Å; K251-L255 WeakPolarHBondContact O-CD1 3.39Å; K251-L255 WeakPolarHBondContact O-CG 3.18Å; K251-L255 PolarHBondContact O-N 3.25Å; I252-L255 PolarHBondContact O-N 2.81Å; L255-A259 PolarHBondContact O-N 2.87Å
256V50.3Low47.4Very low36 Ų36106.7 Ų106.722%0.21856%0.56CS.*Hα-helixtrans-68.7-38.2176.1173.10000111.2L235 I252 N258 A259L235-V256 HydrophobicContact CD1-CG1 3.96Å; I252-V256 HydrophobicContact CG2-CG2 3.98Å; I252-V256 WeakPolarHBondContact O-CB 3.42Å; I252-V256 VanDerWaalsContact O-CG2 3.3Å; I252-V256 WeakPolarHBondContact O-CG2 3.28Å; I252-V256 PolarHBondContact O-N 2.79Å; V256-N258 VanDerWaalsContact C-N 3.34Å; V256-N258 PolarHBondContact O-N 3.09Å; V256-A259 PolarHBondContact O-N 2.91Å
257Y47.7Very low47.2Very low173 Ų173100 Ų10068%0.67855%0.546SS*.Hα-helixtrans-67.1-33.1179.5-160.4-91.1000113R253R253-Y257 WeakPolarHBondContact O-CB 3.4Å; R253-Y257 PolarHBondContact O-N 2.82Å
258N47.8Very low46.9Very low101 Ų101102.1 Ų102.154%0.5457%0.565SS.*Hα-helixtrans-77.6-27.6175.8-76.1-13.9000113.2Y220 S254 V256 L260 N261Y220-N258 HydrophobicContact CE2-CB 4.16Å; S254-N258 PolarHBondContact O-N 3.19Å; V256-N258 VanDerWaalsContact C-N 3.34Å; V256-N258 PolarHBondContact O-N 3.09Å; N258-L260 VanDerWaalsContact C-N 3.26Å; N258-L260 PolarHBondContact O-N 3.35Å; N258-N261 PolarHBondContact O-N 2.87Å
259A44.7Very low47.1Very low15 Ų15103.6 Ų103.612%0.12457%0.565CS.*Hα-helixtrans-70.4-20.6178.100000113.4Y220 L255 V256 N261Y220-A259 HydrophobicContact CD2-CB 4.29Å; Y220-A259 HydrophobicContact CE2-CB 4.16Å; L255-A259 PolarHBondContact O-N 2.87Å; V256-A259 PolarHBondContact O-N 2.91Å; A259-N261 PolarHBondContact O-N 2.96Å
260L50.7Low47.1Very low83 Ų83107.1 Ų107.144%0.43557%0.569SS.*THydrogen-bonded Turntrans-74.2-4.2178.7-70.7164.7000114.1I228 N258I228-L260 HydrophobicContact CB-CD2 4.43Å; I228-L260 HydrophobicContact CG2-CD2 4.19Å; N258-L260 VanDerWaalsContact C-N 3.26Å; N258-L260 PolarHBondContact O-N 3.35Å
261N44.9Very low47.7Very low138 Ų138102.3 Ų102.374%0.73855%0.545SS*.  trans-124.576.8178.2-79.8-32.4000112.6N258 A259N258-N261 PolarHBondContact O-N 2.87Å; A259-N261 PolarHBondContact O-N 2.96Å
262P46.9Very low48.6Very low75 Ų7595.6 Ų95.649%0.48752%0.516SS..  trans-78.8128.917324.5-19.7000111
263S38.8Very low50.1Low95 Ų9594.1 Ų94.166%0.66451%0.509SS*.  trans-69.3134.6165.657.30000110.1K265S263-K265 PolarHBondContact O-N 3.33Å; S263-K265 VanDerWaalsContact O-N 3.07Å
264P41.8Very low52Low127 Ų12787.5 Ų87.583%0.82549%0.485SS*.  trans-79.597.2-176.829.8-30.8000109.5
265K40.3Very low53.9Low181 Ų18184.5 Ų84.579%0.78746%0.464SS*.  trans-88.8115.6159.3-73.3-172.1178.8-179.90108.2S263 V267S263-K265 PolarHBondContact O-N 3.33Å; S263-K265 VanDerWaalsContact O-N 3.07Å; K265-V267 PolarHBondContact O-N 3.18Å; K265-V267 VanDerWaalsContact O-N 3.1Å
266G41Very low56.2Low88 Ų8882.3 Ų82.391%0.90745%0.452SS*.  trans-66.3103.2175.900000110.2
267V43.6Very low58.4Low105 Ų10580.6 Ų80.664%0.63644%0.441SS*.  trans-97.9138.6165.9-177.30000107.3K265 K269K265-V267 PolarHBondContact O-N 3.18Å; K265-V267 VanDerWaalsContact O-N 3.1Å; V267-K269 PolarHBondContact O-N 2.91Å
268S41.3Very low60.7Low95 Ų9572.4 Ų72.466%0.66441%0.409SS*.  trans-53.7126.8177.5-172.90000110.2R270S268-R270 PolarHBondContact O-N 3.03Å
269K54.1Low63Low171 Ų17167.6 Ų67.674%0.74338%0.384SS*.  trans-84.2107.7-178.4-61.9177-178.5178.60108.8V267V267-K269 PolarHBondContact O-N 2.91Å
270R53Low65.4Low191 Ų19167 Ų6772%0.72138%0.378SS*.  trans-105.3130.9160.6-76.2-174.1174.8-176.8-1.6109.2S268S268-R270 PolarHBondContact O-N 3.03Å
271P60.7Low67.5Low22 Ų2264.9 Ų64.914%0.14337%0.365CS..  trans-73.4132.1175.930-35.1000110.9V274 D293 L295 N557P271-V274 HydrophobicContact CB-CG1 4.02Å; P271-V274 HydrophobicContact CG-CG1 3.63Å; P271-D293 VanDerWaalsContact CB-OD1 3.32Å; P271-D293 WeakPolarHBondContact CB-OD1 3.39Å; P271-D293 HydrophobicContact CG-CB 4.22Å; P271-D293 VanDerWaalsContact CG-CG 3.5Å; P271-L295 HydrophobicContact CB-CD1 4.06Å; P271-N557 PolarHBondContact O-ND2 3.06Å
272T71.3Confident69.8Low9 Ų962.2 Ų62.26%0.05535%0.345CS..SBendtrans-76.6-24.2176.9-54.60000112.2L163 E190 V194 Y556 N557L163-T272 HydrophobicContact CB-CG2 4.32Å; L163-T272 HydrophobicContact CD1-CG2 3.79Å; E190-T272 PolarHBondContact O-OG1 3Å; V194-T272 HydrophobicContact CG2-CG2 4.1Å; T272-Y556 HydrophobicContact CG2-CD1 4.36Å; T272-Y556 CarbonylContact O-C 3.48Å; T272-Y556 WeakPolarHBondContact O-CA 3.26Å; T272-Y556 WeakPolarHBondContact O-CD1 3.29Å; T272-N557 PolarHBondContact O-N 3.41Å
273A81.1Confident71.9Confident3 Ų367 Ų673%0.02535%0.354CS..EExtended strand (participates in β ladder)trans-132.7133.7175.900000110.4V194 L506 Y556V194-A273 HydrophobicContact CG2-CB 4.29Å; A273-L506 HydrophobicContact CB-CD2 4.04Å; A273-Y556 HydrophobicContact CB-CD1 3.87Å; A273-Y556 HydrophobicContact CB-CE1 3.59Å; A273-Y556 HydrophobicContact CB-CG 4.47Å
274V89.3Confident74.5Confident6 Ų667.4 Ų67.44%0.03635%0.345CS..EExtended strand (participates in β ladder)trans-132.8152178.2-67.30000110.6P271 Y276 V291 V555P271-V274 HydrophobicContact CB-CG1 4.02Å; P271-V274 HydrophobicContact CG-CG1 3.63Å; V274-Y276 HydrophobicContact CG2-CD2 4.07Å; V274-Y276 HydrophobicContact CG2-CE2 3.46Å; V274-Y276 VanDerWaalsContact CG2-CE2 3.46Å; V274-V291 HydrophobicContact CB-CG1 3.94Å; V274-V291 HydrophobicContact CG1-CG1 4.48Å; V274-V291 HydrophobicContact CG2-CG1 3.98Å; V274-V555 PolarHBondContact N-O 3.26Å; V274-V555 PolarHBondContact O-N 3.24Å
275M93.8Very high77Confident0 Ų062.3 Ų62.30%031%0.312CS..EExtended strand (participates in β ladder)trans-94.9126.7175.9-172.9169.863.900109.8V277 V291 W292 W299 V504 L506 T513 I527 C552M275-V277 HydrophobicContact CE-CG2 4.29Å; M275-V277 HydrophobicContact CG-CG2 4.4Å; M275-V291 CarbonylContact O-C 3.58Å; M275-V291 WeakPolarHBondContact O-CA 3.48Å; M275-W292 HydrophobicContact CB-CB 4.27Å; M275-W292 HydrophobicContact CB-CE3 4.17Å; M275-W292 HydrophobicContact CE-CB 3.93Å; M275-W292 HydrophobicContact CE-CD2 4.07Å; M275-W292 HydrophobicContact CE-CE3 3.72Å; M275-W292 HydrophobicContact CE-CG 4.2Å; M275-W292 PolarHBondContact N-O 3.18Å; M275-W292 PolarHBondContact O-N 3.25Å; M275-W299 HydrophobicContact CE-CH2 3.85Å; M275-W299 HydrophobicContact CE-CZ2 4.31Å; M275-V504 HydrophobicContact CG-CG2 3.87Å; M275-V504 HydrophobicContact SD-CG2 3.52Å; M275-V504 VanDerWaalsContact SD-CG2 3.52Å; M275-L506 HydrophobicContact CB-CD1 3.84Å; M275-L506 HydrophobicContact CG-CD1 4.38Å; M275-L506 HydrophobicContact SD-CD1 4.31Å; M275-T513 HydrophobicContact CE-CG2 3.77Å; M275-T513 HydrophobicContact SD-CG2 3.77Å; M275-I527 HydrophobicContact CE-CD1 4.46Å; M275-C552 VanDerWaalsContact SD-SG 3.67Å
276Y96.4Very high79.6Confident14 Ų1454 Ų546%0.05528%0.276CS..EExtended strand (participates in β ladder)trans-100.7125.2169.2-77.4-97.8000109.4V274 V289 V291 Y342 S344 C552 V553 V555V274-Y276 HydrophobicContact CG2-CD2 4.07Å; V274-Y276 HydrophobicContact CG2-CE2 3.46Å; V274-Y276 VanDerWaalsContact CG2-CE2 3.46Å; Y276-V289 HydrophobicContact CD1-CG1 3.93Å; Y276-V289 HydrophobicContact CE1-CG1 4.4Å; Y276-V291 HydrophobicContact CD1-CG2 3.66Å; Y276-V291 HydrophobicContact CD2-CG1 4.48Å; Y276-V291 HydrophobicContact CE1-CB 4.31Å; Y276-V291 HydrophobicContact CE1-CG1 4.17Å; Y276-V291 HydrophobicContact CE1-CG2 3.25Å; Y276-V291 HydrophobicContact CE2-CG1 4.09Å; Y276-V291 HydrophobicContact CG-CG2 4.47Å; Y276-Y342 HydrophobicContact CD1-CE1 4Å; Y276-Y342 AromaticContact CE1-CE1 3.6Å; Y276-Y342 HydrophobicContact CE1-CE1 3.6Å; Y276-S344 WeakPolarHBondContact OH-CB 3.46Å; Y276-C552 WeakPolarHBondContact O-CA 3.38Å; Y276-V553 PolarHBondContact N-O 2.91Å; Y276-V553 PolarHBondContact O-N 3.4Å; Y276-V555 HydrophobicContact CD2-CB 3.76Å; Y276-V555 HydrophobicContact CD2-CG2 3.51Å; Y276-V555 HydrophobicContact CE2-CB 3.68Å; Y276-V555 HydrophobicContact CE2-CG1 4.31Å; Y276-V555 HydrophobicContact CE2-CG2 3.82Å; Y276-V555 HydrophobicContact CG-CG2 4.37Å
277V97.2Very high82.2Confident1 Ų150.2 Ų50.21%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-108.7120.6170.8171.40000107.7M275 H290 W299 L543 M547 H550 G551M275-V277 HydrophobicContact CE-CG2 4.29Å; M275-V277 HydrophobicContact CG-CG2 4.4Å; V277-H290 HydrophobicContact CB-CB 4.28Å; V277-H290 PolarHBondContact N-O 3.23Å; V277-H290 PolarHBondContact O-N 3.28Å; V277-W299 HydrophobicContact CB-CZ3 4.37Å; V277-W299 HydrophobicContact CG2-CH2 3.95Å; V277-W299 HydrophobicContact CG2-CZ3 4.14Å; V277-L543 HydrophobicContact CG2-CD2 4.01Å; V277-M547 HydrophobicContact CG1-CE 4.26Å; V277-M547 HydrophobicContact CG1-SD 3.56Å; V277-M547 VanDerWaalsContact CG1-SD 3.56Å; V277-H550 HydrophobicContact CG1-CB 4.28Å; V277-G551 CarbonylContact C-O 3.58Å; V277-G551 VanDerWaalsContact CA-O 3.29Å; V277-G551 WeakPolarHBondContact CA-O 3.48Å
278I96.8Very high84.7Confident0 Ų047.8 Ų47.80%022%0.218CC..EExtended strand (participates in β ladder)trans-121.6111.5-171.5-58-177000110.2V289 Y313 V315 V322 V324 W349 G551I278-V289 HydrophobicContact CG1-CG1 4.42Å; I278-V289 HydrophobicContact CG1-CG2 4.44Å; I278-V289 HydrophobicContact CG2-CG2 4.42Å; I278-Y313 PolarHBondContact O-OH 3.24Å; I278-V315 HydrophobicContact CD1-CG1 4.4Å; I278-V322 HydrophobicContact CD1-CB 3.94Å; I278-V322 HydrophobicContact CD1-CG1 3.36Å; I278-V322 HydrophobicContact CD1-CG2 4.44Å; I278-V324 HydrophobicContact CG2-CG2 4.11Å; I278-W349 HydrophobicContact CG2-CH2 4.1Å; I278-W349 HydrophobicContact CG2-CZ2 4.44Å; I278-G551 PolarHBondContact N-O 3.19Å; I278-G551 PolarHBondContact O-N 3.44Å
279G95.1Very high87.4Confident1 Ų143.3 Ų43.31%0.0119%0.186CC..EExtended strand (participates in β ladder)trans55.8-133.7175.400000113.3L286 E288 Y313 H550G279-L286 WeakPolarHBondContact CA-O 3.27Å; G279-E288 PolarHBondContact N-O 3.07Å; G279-Y313 WeakPolarHBondContact CA-OH 3.45Å; G279-H550 WeakPolarHBondContact O-CB 3.25Å
280G94.6Very high89.4Confident1 Ų136 Ų361%0.0116%0.155CC..EExtended strand (participates in β ladder)trans116.5-150.9-177.600000111.8L286 Y313 R548G280-L286 PolarHBondContact N-O 3.47Å; G280-L286 PolarHBondContact O-N 3.28Å; G280-Y313 PolarHBondContact N-OH 2.71Å; G280-R548 CarbonylContact C-O 3.55Å; G280-R548 WeakPolarHBondContact CA-O 3.24Å
281Y94.7Very high91.4Very high40 Ų4027.9 Ų27.916%0.15713%0.126CC..EExtended strand (participates in β ladder)trans-141.5128.1-177.8-172.2-84.7000111.5W283 E311 Y523 M547 R548Y281-W283 PolarHBondContact OH-O 3.46Å; Y281-E311 WeakPolarHBondContact CD2-OE2 3.49Å; Y281-E311 WeakPolarHBondContact CE2-OE2 3.25Å; Y281-Y523 AromaticContact CD1-CE1 3.99Å; Y281-Y523 HydrophobicContact CD1-CE1 3.99Å; Y281-Y523 HydrophobicContact CE1-CE1 4.47Å; Y281-Y523 WeakPolarHBondContact CE1-OH 3.45Å; Y281-M547 WeakPolarHBondContact O-CA 3.35Å; Y281-R548 PolarHBondContact N-O 3.04Å; Y281-R548 PolarHBondContact O-N 2.76Å
282Y94.4Very high93Very high82 Ų8227.1 Ų27.132%0.32212%0.121SC..SBendtrans-144.186.1171.7178.8-117.1000110.2H284 Y523 P546Y282-H284 CarbonylContact C-O 3.57Å; Y282-H284 PolarHBondContact N-O 3.05Å; Y282-H284 PolarHBondContact O-CD2 3Å; Y282-H284 VanDerWaalsContact O-CD2 3.31Å; Y282-H284 PolarHBondContact O-N 3.49Å; Y282-Y523 HydrophobicContact CD2-CD1 4.42Å; Y282-Y523 AromaticContact CD2-CD2 3.77Å; Y282-Y523 HydrophobicContact CD2-CD2 3.77Å; Y282-Y523 HydrophobicContact CD2-CE2 4.41Å; Y282-Y523 AromaticContact CD2-CG 3.79Å; Y282-Y523 HydrophobicContact CD2-CG 3.79Å; Y282-Y523 AromaticContact CE2-CD2 3.9Å; Y282-Y523 HydrophobicContact CE2-CD2 3.9Å; Y282-Y523 HydrophobicContact CE2-CG 4.23Å; Y282-P546 WeakPolarHBondContact CB-O 3.42Å; Y282-P546 HydrophobicContact CD2-CB 4.03Å; Y282-P546 VanDerWaalsContact CD2-O 3.25Å; Y282-P546 WeakPolarHBondContact CD2-O 3.29Å; Y282-P546 HydrophobicContact CE2-CB 3.92Å; Y282-P546 HydrophobicContact CE2-CG 4.15Å
283W91.8Very high93.6Very high175 Ų17527.7 Ų27.766%0.66312%0.123SC*.SBendtrans61.3-22.3-170.3-57107.3000115.8Y281 Y523Y281-W283 PolarHBondContact OH-O 3.46Å; W283-Y523 AromaticContact CD2-CE2 3.97Å; W283-Y523 HydrophobicContact CD2-CE2 3.97Å; W283-Y523 AromaticContact CE2-CE2 3.6Å; W283-Y523 HydrophobicContact CE3-CE2 4.46Å; W283-Y523 HydrophobicContact CG-CE2 4.4Å; W283-Y523 HydrophobicContact CH2-CE2 4.33Å; W283-Y523 HydrophobicContact CZ2-CD2 4.45Å; W283-Y523 AromaticContact CZ2-CE2 3.81Å; W283-Y523 HydrophobicContact CZ2-CE2 3.81Å; W283-Y523 AromaticContact NE1-CE2 3.81Å
284H92.5Very high93.4Very high103 Ų10328.8 Ų28.848%0.47713%0.13SC..SBendtrans-141162.6168.657.283.9000108.9Y282 L286Y282-H284 CarbonylContact C-O 3.57Å; Y282-H284 PolarHBondContact N-O 3.05Å; Y282-H284 PolarHBondContact O-CD2 3Å; Y282-H284 VanDerWaalsContact O-CD2 3.31Å; Y282-H284 PolarHBondContact O-N 3.49Å; H284-L286 VanDerWaalsContact CE1-CD2 3.46Å; H284-L286 WeakPolarHBondContact CE1-CD2 3.45Å
285P94.3Very high92.7Very high20 Ų2031.8 Ų31.813%0.1315%0.145CC..EExtended strand (participates in β ladder)trans-58.3144.9169.9-24.235.7000111.8T330P285-T330 WeakPolarHBondContact CG-OG1 3.12Å
286L95.4Very high92.1Very high6 Ų635.5 Ų35.53%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-113145.8176.7-62.7179.1000109.1G279 G280 H284 E288 M547G279-L286 WeakPolarHBondContact CA-O 3.27Å; G280-L286 PolarHBondContact N-O 3.47Å; G280-L286 PolarHBondContact O-N 3.28Å; H284-L286 VanDerWaalsContact CE1-CD2 3.46Å; H284-L286 WeakPolarHBondContact CE1-CD2 3.45Å; L286-E288 WeakPolarHBondContact CA-OE2 3.47Å; L286-E288 VanDerWaalsContact CB-OE2 3.29Å; L286-E288 WeakPolarHBondContact CB-OE2 3.35Å; L286-M547 HydrophobicContact CD1-CB 3.76Å; L286-M547 HydrophobicContact CD1-CE 4.19Å
287S95.5Very high91.5Very high10 Ų1039.1 Ų39.17%0.0719%0.189CC..EExtended strand (participates in β ladder)trans-124.4-5.8179.753.20000113.1D304 M305 H308S287-D304 WeakPolarHBondContact O-CA 3.42Å; S287-M305 PolarHBondContact O-N 3.44Å; S287-H308 WeakPolarHBondContact CB-ND1 3.46Å; S287-H308 PolarHBondContact OG-ND1 2.88Å
288E96.4Very high91.1Very high54 Ų5441 Ų4125%0.25221%0.205SC..EExtended strand (participates in β ladder)trans-64.9140.5-173.7-60.690.415000111.1G279 L286 D304G279-E288 PolarHBondContact N-O 3.07Å; L286-E288 WeakPolarHBondContact CA-OE2 3.47Å; L286-E288 VanDerWaalsContact CB-OE2 3.29Å; L286-E288 WeakPolarHBondContact CB-OE2 3.35Å; E288-D304 WeakPolarHBondContact CA-OD1 3.2Å
289V97.3Very high91Very high0 Ų044.1 Ų44.10%022%0.217CC..EExtended strand (participates in β ladder)trans-104.2119.2170.8179.90000108.2Y276 I278 Q301 G302 T303 Y342 W349Y276-V289 HydrophobicContact CD1-CG1 3.93Å; Y276-V289 HydrophobicContact CE1-CG1 4.4Å; I278-V289 HydrophobicContact CG1-CG1 4.42Å; I278-V289 HydrophobicContact CG1-CG2 4.44Å; I278-V289 HydrophobicContact CG2-CG2 4.42Å; V289-Q301 CarbonylContact O-C 3.58Å; V289-Q301 WeakPolarHBondContact O-CA 3.45Å; V289-G302 PolarHBondContact O-N 3.31Å; V289-T303 VanDerWaalsContact CG2-O 3.23Å; V289-T303 WeakPolarHBondContact CG2-O 3.48Å; V289-Y342 HydrophobicContact CG1-CE1 4.13Å; V289-W349 HydrophobicContact CG2-CZ2 3.63Å
290H96.7Very high90.9Very high18 Ų1848.6 Ų48.68%0.08324%0.243CC..EExtended strand (participates in β ladder)trans-116.9127.3178-66.5-52000110.6V277 W299 P544V277-H290 HydrophobicContact CB-CB 4.28Å; V277-H290 PolarHBondContact N-O 3.23Å; V277-H290 PolarHBondContact O-N 3.28Å; H290-W299 HydrophobicContact CB-CE3 3.65Å; H290-W299 HydrophobicContact CB-CZ3 3.57Å; H290-P544 HydrophobicContact CB-CG 4.31Å
291V95.3Very high91Very high21 Ų2154 Ų5413%0.12727%0.268CS..EExtended strand (participates in β ladder)trans-108.3122.7179-166.90000108.6V274 M275 Y276 W299 V300V274-V291 HydrophobicContact CB-CG1 3.94Å; V274-V291 HydrophobicContact CG1-CG1 4.48Å; V274-V291 HydrophobicContact CG2-CG1 3.98Å; M275-V291 CarbonylContact O-C 3.58Å; M275-V291 WeakPolarHBondContact O-CA 3.48Å; Y276-V291 HydrophobicContact CD1-CG2 3.66Å; Y276-V291 HydrophobicContact CD2-CG1 4.48Å; Y276-V291 HydrophobicContact CE1-CB 4.31Å; Y276-V291 HydrophobicContact CE1-CG1 4.17Å; Y276-V291 HydrophobicContact CE1-CG2 3.25Å; Y276-V291 HydrophobicContact CE2-CG1 4.09Å; Y276-V291 HydrophobicContact CG-CG2 4.47Å; V291-W299 CarbonylContact O-C 3.48Å; V291-W299 WeakPolarHBondContact O-CA 3.36Å; V291-V300 PolarHBondContact N-O 2.79Å; V291-V300 PolarHBondContact O-N 2.75Å
292W92.8Very high91.1Very high6 Ų652.6 Ų52.62%0.02327%0.266CS..EExtended strand (participates in β ladder)trans-108.6127.4176.7-178.170.2000111.3M275 P294 N297 W299 L506 Y511M275-W292 HydrophobicContact CB-CB 4.27Å; M275-W292 HydrophobicContact CB-CE3 4.17Å; M275-W292 HydrophobicContact CE-CB 3.93Å; M275-W292 HydrophobicContact CE-CD2 4.07Å; M275-W292 HydrophobicContact CE-CE3 3.72Å; M275-W292 HydrophobicContact CE-CG 4.2Å; M275-W292 PolarHBondContact N-O 3.18Å; M275-W292 PolarHBondContact O-N 3.25Å; W292-P294 HydrophobicContact CE3-CB 4.19Å; W292-P294 HydrophobicContact CH2-CB 3.65Å; W292-P294 HydrophobicContact CZ2-CB 4.35Å; W292-P294 HydrophobicContact CZ3-CB 3.56Å; W292-P294 HydrophobicContact CZ3-CG 4.43Å; W292-N297 PolarHBondContact NE1-OD1 3.49Å; W292-W299 HydrophobicContact CB-CD2 3.89Å; W292-W299 HydrophobicContact CB-CE3 3.68Å; W292-W299 HydrophobicContact CB-CH2 3.59Å; W292-W299 HydrophobicContact CB-CZ2 3.75Å; W292-W299 HydrophobicContact CB-CZ3 3.56Å; W292-W299 AromaticContact CD1-CD1 3.9Å; W292-W299 AromaticContact CD1-CD2 3.82Å; W292-W299 AromaticContact CD1-CE2 3.41Å; W292-W299 VanDerWaalsContact CD1-CE2 3.41Å; W292-W299 AromaticContact CD1-CZ2 3.79Å; W292-W299 AromaticContact CD1-NE1 3.48Å; W292-W299 HydrophobicContact CG-CD2 4.22Å; W292-W299 AromaticContact CG-CE2 3.87Å; W292-W299 HydrophobicContact CG-CE3 4.48Å; W292-W299 HydrophobicContact CG-CH2 4.18Å; W292-W299 AromaticContact CG-CZ2 3.84Å; W292-W299 HydrophobicContact CG-CZ2 3.84Å; W292-W299 HydrophobicContact CG-CZ3 4.49Å; W292-L506 HydrophobicContact CE3-CD1 4.47Å; W292-L506 HydrophobicContact CZ3-CD1 4.22Å; W292-Y511 HydrophobicContact CH2-CD1 4.19Å; W292-Y511 AromaticContact CH2-CE1 3.67Å; W292-Y511 HydrophobicContact CH2-CE1 3.67Å; W292-Y511 HydrophobicContact CZ3-CD1 4.1Å; W292-Y511 AromaticContact CZ3-CE1 3.88Å; W292-Y511 HydrophobicContact CZ3-CE1 3.88Å
293D84.7Confident91.2Very high20 Ų2051.8 Ų51.811%0.10727%0.27CS..EExtended strand (participates in β ladder)trans-95.2114.7171.6175.43.3000110P271 L295 T296 N297 A298P271-D293 VanDerWaalsContact CB-OD1 3.32Å; P271-D293 WeakPolarHBondContact CB-OD1 3.39Å; P271-D293 HydrophobicContact CG-CB 4.22Å; P271-D293 VanDerWaalsContact CG-CG 3.5Å; D293-L295 PolarHBondContact O-N 2.82Å; D293-L295 WeakPolarHBondContact OD1-CB 3.44Å; D293-L295 PolarHBondContact OD1-N 2.82Å; D293-T296 WeakPolarHBondContact CB-OG1 3.26Å; D293-T296 WeakPolarHBondContact OD2-CB 3.45Å; D293-T296 VanDerWaalsContact OD2-CG2 3.24Å; D293-T296 WeakPolarHBondContact OD2-CG2 3.5Å; D293-T296 PolarHBondContact OD2-OG1 3.24Å; D293-N297 WeakPolarHBondContact O-CA 3.41Å; D293-N297 PolarHBondContact O-N 3.05Å; D293-A298 PolarHBondContact N-O 3.3Å
294P77.1Confident91.5Very high26 Ų2646.1 Ų46.117%0.16925%0.253CS..THydrogen-bonded Turntrans-66-22.2178.926.1-33.6000114.1W292W292-P294 HydrophobicContact CE3-CB 4.19Å; W292-P294 HydrophobicContact CH2-CB 3.65Å; W292-P294 HydrophobicContact CZ2-CB 4.35Å; W292-P294 HydrophobicContact CZ3-CB 3.56Å; W292-P294 HydrophobicContact CZ3-CG 4.43Å
295L75Confident91.6Very high69 Ų6941.2 Ų41.236%0.36123%0.23SC..THydrogen-bonded Turntrans-83.7-39.2-176.4-62.5178.1000112.7N193 P271 D293N193-L295 HydrophobicContact CB-CD1 4.19Å; N193-L295 HydrophobicContact CB-CD2 3.95Å; P271-L295 HydrophobicContact CB-CD1 4.06Å; D293-L295 PolarHBondContact O-N 2.82Å; D293-L295 WeakPolarHBondContact OD1-CB 3.44Å; D293-L295 PolarHBondContact OD1-N 2.82Å
296T80.1Confident91.7Very high79 Ų7943.2 Ų43.249%0.48524%0.243SC..THydrogen-bonded Turntrans-95.2-13.7177.759.20000112.4D293 A298D293-T296 WeakPolarHBondContact CB-OG1 3.26Å; D293-T296 WeakPolarHBondContact OD2-CB 3.45Å; D293-T296 VanDerWaalsContact OD2-CG2 3.24Å; D293-T296 WeakPolarHBondContact OD2-CG2 3.5Å; D293-T296 PolarHBondContact OD2-OG1 3.24Å; T296-A298 PolarHBondContact O-N 3.12Å; T296-A298 WeakPolarHBondContact OG1-CB 3.47Å; T296-A298 PolarHBondContact OG1-N 2.66Å
297N83.6Confident91.5Very high89 Ų8943.5 Ų43.548%0.47624%0.244SC..THydrogen-bonded Turntrans53.732.3-169.9-163.827.8000112.4W292 D293W292-N297 PolarHBondContact NE1-OD1 3.49Å; D293-N297 WeakPolarHBondContact O-CA 3.41Å; D293-N297 PolarHBondContact O-N 3.05Å
298A89.2Confident91.4Very high42 Ų4248 Ų4835%0.34726%0.264SS..EExtended strand (participates in β ladder)trans-100.7147.1-179.500000110.8D293 T296D293-A298 PolarHBondContact N-O 3.3Å; T296-A298 PolarHBondContact O-N 3.12Å; T296-A298 WeakPolarHBondContact OG1-CB 3.47Å; T296-A298 PolarHBondContact OG1-N 2.66Å
299W94.1Very high91.2Very high65 Ų6547.3 Ų47.325%0.24626%0.263CS..EExtended strand (participates in β ladder)trans-106137.1172-74.298.3000109.9M275 V277 H290 V291 W292 I527 N542 L543 P544M275-W299 HydrophobicContact CE-CH2 3.85Å; M275-W299 HydrophobicContact CE-CZ2 4.31Å; V277-W299 HydrophobicContact CB-CZ3 4.37Å; V277-W299 HydrophobicContact CG2-CH2 3.95Å; V277-W299 HydrophobicContact CG2-CZ3 4.14Å; H290-W299 HydrophobicContact CB-CE3 3.65Å; H290-W299 HydrophobicContact CB-CZ3 3.57Å; V291-W299 CarbonylContact O-C 3.48Å; V291-W299 WeakPolarHBondContact O-CA 3.36Å; W292-W299 HydrophobicContact CB-CD2 3.89Å; W292-W299 HydrophobicContact CB-CE3 3.68Å; W292-W299 HydrophobicContact CB-CH2 3.59Å; W292-W299 HydrophobicContact CB-CZ2 3.75Å; W292-W299 HydrophobicContact CB-CZ3 3.56Å; W292-W299 AromaticContact CD1-CD1 3.9Å; W292-W299 AromaticContact CD1-CD2 3.82Å; W292-W299 AromaticContact CD1-CE2 3.41Å; W292-W299 VanDerWaalsContact CD1-CE2 3.41Å; W292-W299 AromaticContact CD1-CZ2 3.79Å; W292-W299 AromaticContact CD1-NE1 3.48Å; W292-W299 HydrophobicContact CG-CD2 4.22Å; W292-W299 AromaticContact CG-CE2 3.87Å; W292-W299 HydrophobicContact CG-CE3 4.48Å; W292-W299 HydrophobicContact CG-CH2 4.18Å; W292-W299 AromaticContact CG-CZ2 3.84Å; W292-W299 HydrophobicContact CG-CZ2 3.84Å; W292-W299 HydrophobicContact CG-CZ3 4.49Å; W299-I527 HydrophobicContact CZ2-CD1 3.8Å; W299-N542 PolarHBondContact NE1-O 3.05Å; W299-L543 HydrophobicContact CH2-CD2 3.43Å; W299-L543 VanDerWaalsContact CH2-CD2 3.43Å; W299-L543 HydrophobicContact CZ2-CD2 3.7Å; W299-L543 HydrophobicContact CZ3-CD2 4.48Å; W299-P544 HydrophobicContact CB-CG 4.23Å; W299-P544 HydrophobicContact CD2-CG 3.72Å; W299-P544 HydrophobicContact CE3-CG 3.88Å; W299-P544 HydrophobicContact CG-CG 3.9Å; W299-P544 HydrophobicContact CZ3-CG 4.45Å
300V94.5Very high91.1Very high95 Ų9547.3 Ų47.358%0.57626%0.263SS*.EExtended strand (participates in β ladder)trans-124.5134.7172.7-177.40000108V291V291-V300 PolarHBondContact N-O 2.79Å; V291-V300 PolarHBondContact O-N 2.75Å
301Q95.9Very high90.9Very high113 Ų11346.7 Ų46.753%0.52826%0.261SS..EExtended strand (participates in β ladder)trans-86.5128.6171.4-178.5168.9-0.900109V289 D304V289-Q301 CarbonylContact O-C 3.58Å; V289-Q301 WeakPolarHBondContact O-CA 3.45Å; Q301-D304 PolarHBondContact NE2-OD1 2.89Å
302G95.8Very high90.8Very high11 Ų1146 Ų4611%0.11326%0.256CS..  trans-94.3-169.7168.400000111.3V289 D304V289-G302 PolarHBondContact O-N 3.31Å; G302-D304 PolarHBondContact O-N 2.83Å
303T97.4Very high91Very high65 Ų6546.5 Ų46.540%0.39926%0.259SS..PPolyproline II helixtrans-70.1127.4178.6-58.60000110.7V289 D347 W349V289-T303 VanDerWaalsContact CG2-O 3.23Å; V289-T303 WeakPolarHBondContact CG2-O 3.48Å; T303-D347 VanDerWaalsContact CB-OD1 3.22Å; T303-D347 WeakPolarHBondContact CB-OD1 3.3Å; T303-D347 PolarHBondContact N-OD1 3.03Å; T303-D347 VanDerWaalsContact OG1-CG 3.28Å; T303-D347 PolarHBondContact OG1-O 2.85Å; T303-D347 VanDerWaalsContact OG1-O 3.05Å; T303-D347 PolarHBondContact OG1-OD1 2.79Å; T303-D347 PolarHBondContact OG1-OD2 3.36Å; T303-W349 PolarHBondContact O-NE1 2.78Å
304D97.5Very high91.6Very high57 Ų5745.7 Ų45.731%0.30526%0.255SS..PPolyproline II helixtrans-64.7146.8179.8-60.3-18.2000111.7S287 E288 Q301 G302 W349S287-D304 WeakPolarHBondContact O-CA 3.42Å; E288-D304 WeakPolarHBondContact CA-OD1 3.2Å; Q301-D304 PolarHBondContact NE2-OD1 2.89Å; G302-D304 PolarHBondContact O-N 2.83Å; D304-W349 PolarHBondContact O-NE1 2.79Å
305M96.1Very high92.6Very high0 Ų045.7 Ų45.70%026%0.255CS..PPolyproline II helixtrans-60.3132.7175.3-178.817648.400110.4S287 D307 H308 R310 Y313 V324 W349S287-M305 PolarHBondContact O-N 3.44Å; M305-D307 WeakPolarHBondContact CE-O 3.13Å; M305-D307 PolarHBondContact O-N 3.18Å; M305-D307 VanDerWaalsContact O-N 3.1Å; M305-H308 PolarHBondContact O-CE1 2.99Å; M305-H308 PolarHBondContact O-ND1 2.79Å; M305-R310 HydrophobicContact CE-CB 4.42Å; M305-Y313 HydrophobicContact CE-CE1 4.34Å; M305-V324 HydrophobicContact SD-CB 4.48Å; M305-V324 HydrophobicContact SD-CG1 3.94Å; M305-W349 HydrophobicContact CB-CH2 3.94Å; M305-W349 HydrophobicContact CB-CZ2 3.62Å; M305-W349 HydrophobicContact CG-CH2 3.99Å; M305-W349 HydrophobicContact CG-CZ2 4.14Å; M305-W349 HydrophobicContact CG-CZ3 4.25Å; M305-W349 HydrophobicContact SD-CH2 4.38Å
306P95.5Very high93.7Very high61 Ų6142.9 Ų42.940%0.39624%0.241SC..SBendtrans-59.6-24.3-178.8-27.835.3000115.1W340 W349P306-W340 HydrophobicContact CB-CH2 3.89Å; P306-W340 HydrophobicContact CB-CZ2 3.91Å; P306-W340 HydrophobicContact CB-CZ3 4.28Å; P306-W340 HydrophobicContact CG-CD2 4.47Å; P306-W340 HydrophobicContact CG-CE3 4.12Å; P306-W340 HydrophobicContact CG-CH2 4.02Å; P306-W340 HydrophobicContact CG-CZ2 4.36Å; P306-W340 HydrophobicContact CG-CZ3 3.89Å; P306-W349 HydrophobicContact CG-CB 3.95Å; P306-W349 HydrophobicContact CG-CG 4.19Å
307D92Very high94.4Very high12 Ų1240.9 Ų40.96%0.06423%0.227CC..  trans-98.390.4179.4-166.3-16.4000112.1M305 T309 R310 R329M305-D307 WeakPolarHBondContact CE-O 3.13Å; M305-D307 PolarHBondContact O-N 3.18Å; M305-D307 VanDerWaalsContact O-N 3.1Å; D307-T309 PolarHBondContact O-N 2.85Å; D307-T309 PolarHBondContact OD1-N 3.4Å; D307-T309 PolarHBondContact OD1-OG1 3.19Å; D307-T309 VanDerWaalsContact OD1-OG1 3.1Å; D307-R310 HydrophobicContact CB-CB 4.3Å; D307-R329 VanDerWaalsContact CG-NH1 3.26Å; D307-R329 IonicContact OD1-CZ 3.36Å; D307-R329 IonicContact OD1-NH1 2.96Å; D307-R329 PolarHBondContact OD1-NH1 2.96Å; D307-R329 IonicContact OD1-NH2 3.33Å; D307-R329 IonicContact OD2-CZ 2.71Å; D307-R329 VanDerWaalsContact OD2-CZ 3.3Å; D307-R329 IonicContact OD2-NH1 3.83Å; D307-R329 PolarHBondContact OD2-NH1 3.36Å; D307-R329 VanDerWaalsContact OD2-NH1 3.07Å; D307-R329 IonicContact OD2-NH2 3.99Å; D307-R329 PolarHBondContact OD2-NH2 3.22Å
308H92.3Very high94.9Very high104 Ų10438.6 Ų38.648%0.48121%0.214SC..THydrogen-bonded Turntrans-75.1-3.9-174.6-53.7-68.5000115.6S287 M305S287-H308 WeakPolarHBondContact CB-ND1 3.46Å; S287-H308 PolarHBondContact OG-ND1 2.88Å; M305-H308 PolarHBondContact O-CE1 2.99Å; M305-H308 PolarHBondContact O-ND1 2.79Å
309T92.5Very high94.9Very high40 Ų4037.5 Ų37.525%0.24521%0.207CC..THydrogen-bonded Turntrans-111.93.7-172.862.40000113.5D307 R329 T330D307-T309 PolarHBondContact O-N 2.85Å; D307-T309 PolarHBondContact OD1-N 3.4Å; D307-T309 PolarHBondContact OD1-OG1 3.19Å; D307-T309 VanDerWaalsContact OD1-OG1 3.1Å; T309-R329 PolarHBondContact OG1-NH1 3.47Å; T309-T330 PolarHBondContact O-N 2.85Å
310R94.4Very high94.8Very high0 Ų034.6 Ų34.60%020%0.197CC..EExtended strand (participates in β ladder)trans-91.1131.5-168.9-179.2179.6179.5154.3-3.9110.9M305 D307 Y313 V324 T325 G326 L336 T338 W340M305-R310 HydrophobicContact CE-CB 4.42Å; D307-R310 HydrophobicContact CB-CB 4.3Å; R310-Y313 HydrophobicContact CG-CD1 3.78Å; R310-Y313 HydrophobicContact CG-CE1 4.45Å; R310-Y313 WeakPolarHBondContact O-CE1 3.38Å; R310-V324 PolarHBondContact NH2-O 2.97Å; R310-T325 VanDerWaalsContact NH2-CA 3.3Å; R310-T325 PolarHBondContact NH2-O 2.78Å; R310-G326 PolarHBondContact NE-O 3.3Å; R310-G326 PolarHBondContact NH2-O 2.89Å; R310-L336 HydrophobicContact CB-CD1 4.48Å; R310-L336 HydrophobicContact CG-CD1 3.96Å; R310-T338 PolarHBondContact NH1-O 3.1Å; R310-T338 PolarHBondContact NH1-OG1 2.97Å; R310-T338 VanDerWaalsContact NH1-OG1 3.17Å; R310-T338 PolarHBondContact NH2-O 3.19Å; R310-W340 VanDerWaalsContact NH1-CD1 3.3Å
311E93.3Very high94.9Very high6 Ų632.2 Ų32.23%0.02818%0.181CC..EExtended strand (participates in β ladder)trans-135.5166.6174.769.3179.5137.400112.3Y281 Y313 G327 Y328 T330Y281-E311 WeakPolarHBondContact CD2-OE2 3.49Å; Y281-E311 WeakPolarHBondContact CE2-OE2 3.25Å; E311-Y313 PolarHBondContact O-N 2.99Å; E311-G327 CarbonylContact O-C 3.6Å; E311-G327 WeakPolarHBondContact O-CA 3.32Å; E311-Y328 HydrophobicContact CG-CD1 4Å; E311-Y328 HydrophobicContact CG-CD2 4.3Å; E311-Y328 HydrophobicContact CG-CE1 3.54Å; E311-Y328 HydrophobicContact CG-CE2 3.87Å; E311-Y328 HydrophobicContact CG-CG 4.37Å; E311-Y328 VanDerWaalsContact CG-CZ 3.47Å; E311-Y328 PolarHBondContact N-O 3.31Å; E311-Y328 PolarHBondContact O-N 3.26Å; E311-Y328 WeakPolarHBondContact OE1-CE2 3.31Å; E311-Y328 PolarHBondContact OE1-OH 3.1Å; E311-Y328 VanDerWaalsContact OE1-OH 3.04Å; E311-Y328 PolarHBondContact OE2-OH 2.96Å; E311-T330 WeakPolarHBondContact OE1-CB 3.41Å; E311-T330 WeakPolarHBondContact OE1-CG2 3.15Å; E311-T330 PolarHBondContact OE1-OG1 2.84Å
312S93.9Very high95Very high5 Ų526.9 Ų26.94%0.03516%0.155CC..SBendtrans55.436.7175.1-50.70000114.4G327 Y328 Y361S312-G327 WeakPolarHBondContact O-CA 3.36Å; S312-Y328 WeakPolarHBondContact OG-CE1 3.47Å; S312-Y361 PolarHBondContact O-N 2.97Å; S312-Y361 VanDerWaalsContact OG-CE1 3.29Å; S312-Y361 WeakPolarHBondContact OG-CE1 3.43Å; S312-Y361 PolarHBondContact OG-OH 3.38Å
313Y96.9Very high95.1Very high17 Ų1726.8 Ų26.87%0.06715%0.152CC..  trans-86.6163.6175.348.6-95.2000111.5I278 G279 G280 M305 R310 E311 V315 V324 T325 G326I278-Y313 PolarHBondContact O-OH 3.24Å; G279-Y313 WeakPolarHBondContact CA-OH 3.45Å; G280-Y313 PolarHBondContact N-OH 2.71Å; M305-Y313 HydrophobicContact CE-CE1 4.34Å; R310-Y313 HydrophobicContact CG-CD1 3.78Å; R310-Y313 HydrophobicContact CG-CE1 4.45Å; R310-Y313 WeakPolarHBondContact O-CE1 3.38Å; E311-Y313 PolarHBondContact O-N 2.99Å; Y313-V315 HydrophobicContact CD2-CG2 3.42Å; Y313-V315 VanDerWaalsContact CD2-CG2 3.42Å; Y313-V315 HydrophobicContact CE2-CG2 3.42Å; Y313-V315 VanDerWaalsContact CE2-CG2 3.42Å; Y313-V324 HydrophobicContact CD1-CG1 4.48Å; Y313-V324 HydrophobicContact CD2-CG1 3.45Å; Y313-V324 VanDerWaalsContact CD2-CG1 3.45Å; Y313-V324 HydrophobicContact CE2-CG1 3.95Å; Y313-V324 HydrophobicContact CG-CG1 3.72Å; Y313-T325 WeakPolarHBondContact CA-O 3.5Å; Y313-T325 VanDerWaalsContact CB-O 3.31Å; Y313-T325 WeakPolarHBondContact CB-O 3.22Å; Y313-G326 WeakPolarHBondContact CB-O 3.41Å
314G97.1Very high95.1Very high4 Ų423.7 Ų23.74%0.04113%0.133CC..EExtended strand (participates in β ladder)trans-95.2136.2172.600000111.1V324 T325 H362G314-V324 WeakPolarHBondContact O-CA 3.23Å; G314-T325 PolarHBondContact N-O 2.88Å; G314-T325 PolarHBondContact O-N 3.44Å; G314-T325 PolarHBondContact O-OG1 2.91Å; G314-T325 VanDerWaalsContact O-OG1 3.08Å; G314-H362 PolarHBondContact N-CE1 2.98Å
315V97.9Very high95.2Very high26 Ų2621 Ų2116%0.15812%0.118CC..EExtended strand (participates in β ladder)trans-122.4133.8177.2-174.50000111.2I278 Y313 V322 Y323 V324 V553I278-V315 HydrophobicContact CD1-CG1 4.4Å; Y313-V315 HydrophobicContact CD2-CG2 3.42Å; Y313-V315 VanDerWaalsContact CD2-CG2 3.42Å; Y313-V315 HydrophobicContact CE2-CG2 3.42Å; Y313-V315 VanDerWaalsContact CE2-CG2 3.42Å; V315-V322 HydrophobicContact CG1-CG1 3.58Å; V315-Y323 VanDerWaalsContact CA-O 3.31Å; V315-Y323 WeakPolarHBondContact CA-O 3.35Å; V315-V324 HydrophobicContact CG2-CG2 4.2Å; V315-V553 HydrophobicContact CG1-CG1 3.9Å
316T97.5Very high95.2Very high10 Ų1021 Ų216%0.06112%0.118CC..EExtended strand (participates in β ladder)trans-152160.5170-1700000109.6Y323 A364 V365 S366 V371T316-Y323 PolarHBondContact N-O 2.82Å; T316-Y323 VanDerWaalsContact N-O 3.15Å; T316-Y323 PolarHBondContact O-N 3.2Å; T316-A364 HydrophobicContact CG2-CB 4.18Å; T316-V365 WeakPolarHBondContact OG1-CA 3.39Å; T316-S366 PolarHBondContact OG1-N 3.38Å; T316-S366 PolarHBondContact OG1-OG 2.74Å; T316-V371 HydrophobicContact CG2-CB 4.35Å; T316-V371 HydrophobicContact CG2-CG1 3.6Å; T316-V371 HydrophobicContact CG2-CG2 4.06Å
317N95.6Very high95.2Very high37 Ų3718.1 Ų18.120%0.19810%0.1CC..EExtended strand (participates in β ladder)trans-114.1150175.666.2-47.9000113N321 V322 S366 V553 C554N317-N321 CarbonylContact C-O 3.58Å; N317-N321 WeakPolarHBondContact CA-O 3.45Å; N317-V322 HydrophobicContact CB-CG2 4.18Å; N317-S366 WeakPolarHBondContact O-CB 3.44Å; N317-S366 PolarHBondContact O-OG 2.81Å; N317-V553 HydrophobicContact CB-CB 4.29Å; N317-V553 HydrophobicContact CB-CG1 4.48Å; N317-V553 HydrophobicContact CB-CG2 4.32Å; N317-C554 PolarHBondContact ND2-O 2.86Å
318L93.2Very high95.3Very high41 Ų4119.4 Ų19.422%0.21510%0.104CC..EExtended strand (participates in β ladder)trans-132.1105.1169.2-165.687000108.2P320 N321 Y323 G369 P391L318-P320 WeakPolarHBondContact O-CD 3.43Å; L318-N321 PolarHBondContact N-O 3.46Å; L318-N321 PolarHBondContact O-N 2.81Å; L318-N321 VanDerWaalsContact O-N 3.14Å; L318-Y323 HydrophobicContact CB-CD2 4.43Å; L318-Y323 HydrophobicContact CB-CE2 3.84Å; L318-G369 WeakPolarHBondContact CD2-O 3.29Å; L318-P391 HydrophobicContact CD2-CG 3.8Å
319G89.9Confident95.3Very high18 Ų1817.8 Ų17.819%0.1869%0.093CC..THydrogen-bonded Turntrans61-122.2-170.500000110.9E157E157-G319 WeakPolarHBondContact OE2-CA 3.15Å
320P91.9Very high94.9Very high5 Ų518.3 Ų18.33%0.03210%0.097CC..THydrogen-bonded Turntrans-90-7.3179.533.6-22000112.2E157 R160 L318 S344 E345E157-P320 WeakPolarHBondContact OE1-CD 3.13Å; R160-P320 VanDerWaalsContact NH1-N 3.11Å; L318-P320 WeakPolarHBondContact O-CD 3.43Å; P320-S344 WeakPolarHBondContact CA-OG 3.39Å; P320-S344 VanDerWaalsContact CB-OG 3.32Å; P320-S344 WeakPolarHBondContact CB-OG 3.44Å; P320-S344 VanDerWaalsContact O-CB 3.31Å; P320-S344 WeakPolarHBondContact O-CB 3.35Å; P320-S344 PolarHBondContact O-N 3.18Å; P320-S344 PolarHBondContact O-OG 2.97Å; P320-E345 HydrophobicContact CB-CG 3.91Å
321N95.8Very high94.4Very high45 Ų4526.6 Ų26.624%0.24114%0.136CC..EExtended strand (participates in β ladder)trans-92.5118.1-174.2-63.2-51.6000109N317 L318 Y323 I341 Y342 N343N317-N321 CarbonylContact C-O 3.58Å; N317-N321 WeakPolarHBondContact CA-O 3.45Å; L318-N321 PolarHBondContact N-O 3.46Å; L318-N321 PolarHBondContact O-N 2.81Å; L318-N321 VanDerWaalsContact O-N 3.14Å; N321-Y323 HydrophobicContact CB-CD2 4.4Å; N321-Y323 HydrophobicContact CB-CE2 3.7Å; N321-Y323 WeakPolarHBondContact O-CD2 3.2Å; N321-I341 HydrophobicContact CB-CG2 3.8Å; N321-Y342 CarbonylContact C-O 3.41Å; N321-Y342 WeakPolarHBondContact CA-O 3.04Å; N321-N343 PolarHBondContact OD1-ND2 2.69Å
322V97.9Very high93.9Very high0 Ų029.6 Ų29.60%016%0.157CC..EExtended strand (participates in β ladder)trans-97.4121.4173.7-169.40000109.1I278 V315 N317 I341 Y342 V553 V555I278-V322 HydrophobicContact CD1-CB 3.94Å; I278-V322 HydrophobicContact CD1-CG1 3.36Å; I278-V322 HydrophobicContact CD1-CG2 4.44Å; V315-V322 HydrophobicContact CG1-CG1 3.58Å; N317-V322 HydrophobicContact CB-CG2 4.18Å; V322-I341 WeakPolarHBondContact O-CA 3.25Å; V322-Y342 HydrophobicContact CG2-CD1 4.48Å; V322-Y342 PolarHBondContact N-O 3.45Å; V322-Y342 PolarHBondContact O-N 2.92Å; V322-V553 HydrophobicContact CG1-CG1 4.47Å; V322-V553 HydrophobicContact CG1-CG2 3.79Å; V322-V553 HydrophobicContact CG2-CG2 3.88Å; V322-V555 HydrophobicContact CG2-CG2 4.14Å
323Y98.4Very high93.5Very high10 Ų1035.8 Ų35.84%0.03919%0.189CC..EExtended strand (participates in β ladder)trans-98.6126.4-176.7-69.7-105.1000109.7V315 T316 L318 N321 V339 I341 V371 Y389V315-Y323 VanDerWaalsContact CA-O 3.31Å; V315-Y323 WeakPolarHBondContact CA-O 3.35Å; T316-Y323 PolarHBondContact N-O 2.82Å; T316-Y323 VanDerWaalsContact N-O 3.15Å; T316-Y323 PolarHBondContact O-N 3.2Å; L318-Y323 HydrophobicContact CB-CD2 4.43Å; L318-Y323 HydrophobicContact CB-CE2 3.84Å; N321-Y323 HydrophobicContact CB-CD2 4.4Å; N321-Y323 HydrophobicContact CB-CE2 3.7Å; N321-Y323 WeakPolarHBondContact O-CD2 3.2Å; Y323-V339 HydrophobicContact CD1-CG1 4.21Å; Y323-I341 HydrophobicContact CD1-CD1 4.01Å; Y323-I341 HydrophobicContact CD1-CG1 3.75Å; Y323-I341 HydrophobicContact CE1-CD1 3.49Å; Y323-I341 VanDerWaalsContact CE1-CD1 3.49Å; Y323-I341 HydrophobicContact CE1-CG1 3.75Å; Y323-I341 HydrophobicContact CE1-CG2 4.33Å; Y323-I341 HydrophobicContact CE2-CG2 4.38Å; Y323-I341 HydrophobicContact CG-CG1 4.48Å; Y323-V371 HydrophobicContact CD1-CG2 4.07Å; Y323-V371 HydrophobicContact CD2-CG2 3.73Å; Y323-V371 HydrophobicContact CE1-CG2 4.27Å; Y323-V371 HydrophobicContact CE2-CG2 3.97Å; Y323-V371 HydrophobicContact CG-CG2 3.8Å; Y323-Y389 AromaticContact CE1-CD1 3.9Å; Y323-Y389 HydrophobicContact CE1-CD1 3.9Å; Y323-Y389 AromaticContact CE1-CE1 3.82Å; Y323-Y389 HydrophobicContact CE1-CE1 3.82Å
324V98.3Very high93.2Very high0 Ų040.1 Ų40.10%021%0.209CC..EExtended strand (participates in β ladder)trans-110.2115.2171.5-177.90000108I278 M305 R310 Y313 G314 V315 V339 W340 W349I278-V324 HydrophobicContact CG2-CG2 4.11Å; M305-V324 HydrophobicContact SD-CB 4.48Å; M305-V324 HydrophobicContact SD-CG1 3.94Å; R310-V324 PolarHBondContact NH2-O 2.97Å; Y313-V324 HydrophobicContact CD1-CG1 4.48Å; Y313-V324 HydrophobicContact CD2-CG1 3.45Å; Y313-V324 VanDerWaalsContact CD2-CG1 3.45Å; Y313-V324 HydrophobicContact CE2-CG1 3.95Å; Y313-V324 HydrophobicContact CG-CG1 3.72Å; G314-V324 WeakPolarHBondContact O-CA 3.23Å; V315-V324 HydrophobicContact CG2-CG2 4.2Å; V324-V339 WeakPolarHBondContact O-CA 3.39Å; V324-W340 HydrophobicContact CB-CB 4.33Å; V324-W340 PolarHBondContact N-O 3.07Å; V324-W340 PolarHBondContact O-N 3.06Å; V324-W349 HydrophobicContact CG2-CH2 3.86Å; V324-W349 HydrophobicContact CG2-CZ3 3.96Å
325T98.2Very high93.1Very high0 Ų041.3 Ų41.30%022%0.219CC..EExtended strand (participates in β ladder)trans-122.3140.8-16959.70000111.2R310 Y313 G314 V339 H362 V371 W396R310-T325 VanDerWaalsContact NH2-CA 3.3Å; R310-T325 PolarHBondContact NH2-O 2.78Å; Y313-T325 WeakPolarHBondContact CA-O 3.5Å; Y313-T325 VanDerWaalsContact CB-O 3.31Å; Y313-T325 WeakPolarHBondContact CB-O 3.22Å; G314-T325 PolarHBondContact N-O 2.88Å; G314-T325 PolarHBondContact O-N 3.44Å; G314-T325 PolarHBondContact O-OG1 2.91Å; G314-T325 VanDerWaalsContact O-OG1 3.08Å; T325-V339 HydrophobicContact CG2-CG1 4.11Å; T325-V339 HydrophobicContact CG2-CG2 4.21Å; T325-H362 PolarHBondContact O-CE1 3.32Å; T325-H362 PolarHBondContact O-NE2 3.41Å; T325-H362 PolarHBondContact OG1-NE2 2.82Å; T325-V371 HydrophobicContact CG2-CG1 4.47Å; T325-W396 HydrophobicContact CG2-CH2 4.09Å; T325-W396 HydrophobicContact CG2-CZ2 4.18Å
326G97.2Very high93Very high0 Ų040.4 Ų40.40%021%0.213CC..  trans50.3-139.8179.300000117.3R310 Y313 L336 T338 M355 R359R310-G326 PolarHBondContact NE-O 3.3Å; R310-G326 PolarHBondContact NH2-O 2.89Å; Y313-G326 WeakPolarHBondContact CB-O 3.41Å; G326-L336 VanDerWaalsContact CA-O 3.24Å; G326-L336 WeakPolarHBondContact CA-O 3.49Å; G326-T338 PolarHBondContact N-O 2.89Å; G326-M355 VanDerWaalsContact N-CE 3.32Å; G326-R359 CarbonylContact C-O 3.55Å; G326-R359 WeakPolarHBondContact CA-O 3.35Å
327G95.9Very high93Very high0 Ų042.8 Ų42.80%023%0.226CC..  trans90.1-170.3-169.200000111.8E311 S312 L336 R359E311-G327 CarbonylContact O-C 3.6Å; E311-G327 WeakPolarHBondContact O-CA 3.32Å; S312-G327 WeakPolarHBondContact O-CA 3.36Å; G327-L336 PolarHBondContact O-N 2.78Å; G327-R359 PolarHBondContact N-O 2.87Å
328Y93.7Very high93.1Very high40 Ų4042.4 Ų42.416%0.15723%0.225CC..EExtended strand (participates in β ladder)trans-141.8158.7178.971.3-83.2000111.8E311 S312 E334 Y360 Y361E311-Y328 HydrophobicContact CG-CD1 4Å; E311-Y328 HydrophobicContact CG-CD2 4.3Å; E311-Y328 HydrophobicContact CG-CE1 3.54Å; E311-Y328 HydrophobicContact CG-CE2 3.87Å; E311-Y328 HydrophobicContact CG-CG 4.37Å; E311-Y328 VanDerWaalsContact CG-CZ 3.47Å; E311-Y328 PolarHBondContact N-O 3.31Å; E311-Y328 PolarHBondContact O-N 3.26Å; E311-Y328 WeakPolarHBondContact OE1-CE2 3.31Å; E311-Y328 PolarHBondContact OE1-OH 3.1Å; E311-Y328 VanDerWaalsContact OE1-OH 3.04Å; E311-Y328 PolarHBondContact OE2-OH 2.96Å; S312-Y328 WeakPolarHBondContact OG-CE1 3.47Å; Y328-E334 CarbonylContact C-O 3.53Å; Y328-E334 WeakPolarHBondContact CA-O 3.49Å; Y328-E334 VanDerWaalsContact CB-O 3.22Å; Y328-E334 WeakPolarHBondContact CB-O 3.26Å; Y328-Y360 AromaticContact CD1-CD2 3.61Å; Y328-Y360 HydrophobicContact CD1-CD2 3.61Å; Y328-Y360 HydrophobicContact CD1-CE2 4.39Å; Y328-Y360 AromaticContact CD1-CG 3.82Å; Y328-Y360 HydrophobicContact CD1-CG 3.82Å; Y328-Y360 AromaticContact CE1-CD2 3.97Å; Y328-Y360 HydrophobicContact CE1-CD2 3.97Å; Y328-Y360 HydrophobicContact CG-CD2 4.46Å; Y328-Y360 HydrophobicContact CG-CG 4.45Å; Y328-Y361 HydrophobicContact CE1-CE2 4.2Å
329R92.1Very high93.4Very high69 Ų6940.6 Ų40.626%0.2622%0.215SC..EExtended strand (participates in β ladder)trans-85.5124.4173.4-66-173.3-177.9-63.1-15.2110D307 T309 E331 S332 I333 E334 L336D307-R329 VanDerWaalsContact CG-NH1 3.26Å; D307-R329 IonicContact OD1-CZ 3.36Å; D307-R329 IonicContact OD1-NH1 2.96Å; D307-R329 PolarHBondContact OD1-NH1 2.96Å; D307-R329 IonicContact OD1-NH2 3.33Å; D307-R329 IonicContact OD2-CZ 2.71Å; D307-R329 VanDerWaalsContact OD2-CZ 3.3Å; D307-R329 IonicContact OD2-NH1 3.83Å; D307-R329 PolarHBondContact OD2-NH1 3.36Å; D307-R329 VanDerWaalsContact OD2-NH1 3.07Å; D307-R329 IonicContact OD2-NH2 3.99Å; D307-R329 PolarHBondContact OD2-NH2 3.22Å; T309-R329 PolarHBondContact OG1-NH1 3.47Å; R329-E331 VanDerWaalsContact C-N 3.27Å; R329-E331 PolarHBondContact O-N 3.18Å; R329-S332 WeakPolarHBondContact CB-OG 3.35Å; R329-I333 VanDerWaalsContact O-CA 3.26Å; R329-I333 WeakPolarHBondContact O-CA 3.35Å; R329-I333 PolarHBondContact O-N 3.43Å; R329-E334 PolarHBondContact N-O 2.79Å; R329-L336 HydrophobicContact CG-CD1 4.07Å; R329-L336 HydrophobicContact CG-CD2 4.1Å; R329-L336 HydrophobicContact CG-CG 4.36Å
330T84.1Confident93.7Very high51 Ų5142 Ų4231%0.31322%0.215SC..THydrogen-bonded Turntrans-60.1-36.9-177.8-51.70000112.7P285 T309 E311P285-T330 WeakPolarHBondContact CG-OG1 3.12Å; T309-T330 PolarHBondContact O-N 2.85Å; E311-T330 WeakPolarHBondContact OE1-CB 3.41Å; E311-T330 WeakPolarHBondContact OE1-CG2 3.15Å; E311-T330 PolarHBondContact OE1-OG1 2.84Å
331E82.8Confident94Very high175 Ų17542.4 Ų42.482%0.81822%0.217SC*.THydrogen-bonded Turntrans-72.9-43-175.8-62.3-177.4176.600113.4R329R329-E331 VanDerWaalsContact C-N 3.27Å; R329-E331 PolarHBondContact O-N 3.18Å
332S84.4Confident94.2Very high69 Ų6940.4 Ų40.448%0.48321%0.206SC..THydrogen-bonded Turntrans-99.4-10.8-175.960.20000113.9R329 E334R329-S332 WeakPolarHBondContact CB-OG 3.35Å; S332-E334 PolarHBondContact O-N 2.8Å; S332-E334 WeakPolarHBondContact OG-CB 3.37Å; S332-E334 PolarHBondContact OG-N 3.38Å
333I84.6Confident94.1Very high135 Ų13541.7 Ų41.769%0.69221%0.213SC*.THydrogen-bonded Turntrans54.529.3-171.3-48.7167.3000111.1R329R329-I333 VanDerWaalsContact O-CA 3.26Å; R329-I333 WeakPolarHBondContact O-CA 3.35Å; R329-I333 PolarHBondContact O-N 3.43Å
334E91.1Very high93.8Very high107 Ų10741.9 Ų41.950%0.522%0.215SC..EExtended strand (participates in β ladder)trans-84.5121.9179.4-179.1179-161.800109.7Y328 R329 S332Y328-E334 CarbonylContact C-O 3.53Å; Y328-E334 WeakPolarHBondContact CA-O 3.49Å; Y328-E334 VanDerWaalsContact CB-O 3.22Å; Y328-E334 WeakPolarHBondContact CB-O 3.26Å; R329-E334 PolarHBondContact N-O 2.79Å; S332-E334 PolarHBondContact O-N 2.8Å; S332-E334 WeakPolarHBondContact OG-CB 3.37Å; S332-E334 PolarHBondContact OG-N 3.38Å
335A94.7Very high93.5Very high29 Ų2945.4 Ų45.424%0.2423%0.232CC..EExtended strand (participates in β ladder)trans-69.7140.1169.600000110A358 Y360A335-A358 HydrophobicContact CB-CB 4.04Å; A335-A358 WeakPolarHBondContact O-CB 3.32Å; A335-Y360 HydrophobicContact CB-CD1 3.92Å; A335-Y360 HydrophobicContact CB-CE1 4.35Å
336L96.7Very high93.2Very high8 Ų853.4 Ų53.44%0.04226%0.262CS..  trans-107.7145.4-176.5-59.9173.8000111.1R310 G326 G327 R329 A358 R359R310-L336 HydrophobicContact CB-CD1 4.48Å; R310-L336 HydrophobicContact CG-CD1 3.96Å; G326-L336 VanDerWaalsContact CA-O 3.24Å; G326-L336 WeakPolarHBondContact CA-O 3.49Å; G327-L336 PolarHBondContact O-N 2.78Å; R329-L336 HydrophobicContact CG-CD1 4.07Å; R329-L336 HydrophobicContact CG-CD2 4.1Å; R329-L336 HydrophobicContact CG-CG 4.36Å; L336-A358 VanDerWaalsContact C-CB 3.46Å; L336-A358 VanDerWaalsContact O-CA 3.26Å; L336-A358 WeakPolarHBondContact O-CA 3.43Å; L336-R359 PolarHBondContact O-N 2.93Å; L336-R359 VanDerWaalsContact O-N 3.12Å
337D97.3Very high93.1Very high60 Ų6056.3 Ų56.332%0.32128%0.278SS..  trans-104.7-5.9164.957.3-0.8000111.9P354 M355 A358D337-P354 HydrophobicContact CB-CB 4.41Å; D337-P354 CarbonylContact O-C 3.6Å; D337-P354 WeakPolarHBondContact O-CA 3.4Å; D337-M355 HydrophobicContact CB-CB 4.16Å; D337-M355 PolarHBondContact O-N 3.01Å; D337-A358 HydrophobicContact CB-CB 4.08Å
338T97.6Very high93.2Very high29 Ų2961.5 Ų61.518%0.17830%0.302CS..  trans-65.5147-175.262.90000112.6R310 G326R310-T338 PolarHBondContact NH1-O 3.1Å; R310-T338 PolarHBondContact NH1-OG1 2.97Å; R310-T338 VanDerWaalsContact NH1-OG1 3.17Å; R310-T338 PolarHBondContact NH2-O 3.19Å; G326-T338 PolarHBondContact N-O 2.89Å
339V98.2Very high93.4Very high3 Ų361.2 Ų61.22%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-125.3125.9-178.1-178.70000109.1Y323 V324 T325 I341 G352 C353 M355 W396Y323-V339 HydrophobicContact CD1-CG1 4.21Å; V324-V339 WeakPolarHBondContact O-CA 3.39Å; T325-V339 HydrophobicContact CG2-CG1 4.11Å; T325-V339 HydrophobicContact CG2-CG2 4.21Å; V339-I341 HydrophobicContact CG1-CG1 4.23Å; V339-G352 PolarHBondContact O-N 2.8Å; V339-C353 VanDerWaalsContact CG2-O 3.26Å; V339-C353 WeakPolarHBondContact CG2-O 3.33Å; V339-M355 HydrophobicContact CG2-CG 4.01Å; V339-W396 HydrophobicContact CG2-CZ2 3.83Å
340W98.1Very high93.7Very high46 Ų4661.6 Ų61.617%0.17431%0.31CS..EExtended strand (participates in β ladder)trans-109.2137.5170.9-73.1114000109.7P306 R310 V324 W349 E351P306-W340 HydrophobicContact CB-CH2 3.89Å; P306-W340 HydrophobicContact CB-CZ2 3.91Å; P306-W340 HydrophobicContact CB-CZ3 4.28Å; P306-W340 HydrophobicContact CG-CD2 4.47Å; P306-W340 HydrophobicContact CG-CE3 4.12Å; P306-W340 HydrophobicContact CG-CH2 4.02Å; P306-W340 HydrophobicContact CG-CZ2 4.36Å; P306-W340 HydrophobicContact CG-CZ3 3.89Å; R310-W340 VanDerWaalsContact NH1-CD1 3.3Å; V324-W340 HydrophobicContact CB-CB 4.33Å; V324-W340 PolarHBondContact N-O 3.07Å; V324-W340 PolarHBondContact O-N 3.06Å; W340-W349 HydrophobicContact CB-CE3 3.69Å; W340-W349 HydrophobicContact CB-CZ3 3.59Å; W340-E351 HydrophobicContact CE3-CB 4.25Å; W340-E351 HydrophobicContact CH2-CB 4.29Å; W340-E351 HydrophobicContact CZ3-CB 3.86Å; W340-E351 HydrophobicContact CZ3-CG 4.46Å
341I98.2Very high94.3Very high14 Ų1465.6 Ų65.67%0.07233%0.326CS..EExtended strand (participates in β ladder)trans-121.4112.4-178.8-50.8174.5000108.1N321 V322 Y323 V339 W349 T350N321-I341 HydrophobicContact CB-CG2 3.8Å; V322-I341 WeakPolarHBondContact O-CA 3.25Å; Y323-I341 HydrophobicContact CD1-CD1 4.01Å; Y323-I341 HydrophobicContact CD1-CG1 3.75Å; Y323-I341 HydrophobicContact CE1-CD1 3.49Å; Y323-I341 VanDerWaalsContact CE1-CD1 3.49Å; Y323-I341 HydrophobicContact CE1-CG1 3.75Å; Y323-I341 HydrophobicContact CE1-CG2 4.33Å; Y323-I341 HydrophobicContact CE2-CG2 4.38Å; Y323-I341 HydrophobicContact CG-CG1 4.48Å; V339-I341 HydrophobicContact CG1-CG1 4.23Å; I341-W349 WeakPolarHBondContact O-CA 3.44Å; I341-T350 PolarHBondContact N-O 2.8Å; I341-T350 PolarHBondContact O-N 2.82Å; I341-T350 PolarHBondContact O-OG1 3.22Å
342Y98.1Very high94.9Very high4 Ų457.9 Ų57.92%0.01629%0.293CS..EExtended strand (participates in β ladder)trans-92.6122.5174.1179-105.2000110Y276 V289 N321 V322 D347 W349Y276-Y342 HydrophobicContact CD1-CE1 4Å; Y276-Y342 AromaticContact CE1-CE1 3.6Å; Y276-Y342 HydrophobicContact CE1-CE1 3.6Å; V289-Y342 HydrophobicContact CG1-CE1 4.13Å; N321-Y342 CarbonylContact C-O 3.41Å; N321-Y342 WeakPolarHBondContact CA-O 3.04Å; V322-Y342 HydrophobicContact CG2-CD1 4.48Å; V322-Y342 PolarHBondContact N-O 3.45Å; V322-Y342 PolarHBondContact O-N 2.92Å; Y342-D347 WeakPolarHBondContact CE2-OD1 3.33Å; Y342-D347 PolarHBondContact OH-OD1 3.39Å; Y342-W349 AromaticContact CD2-CD1 3.81Å; Y342-W349 AromaticContact CD2-CD2 3.85Å; Y342-W349 HydrophobicContact CD2-CD2 3.85Å; Y342-W349 AromaticContact CD2-CE2 3.46Å; Y342-W349 VanDerWaalsContact CD2-CE2 3.46Å; Y342-W349 HydrophobicContact CD2-CG 4.09Å; Y342-W349 AromaticContact CD2-CZ2 3.92Å; Y342-W349 HydrophobicContact CD2-CZ2 3.92Å; Y342-W349 AromaticContact CD2-NE1 3.4Å; Y342-W349 AromaticContact CE2-NE1 3.92Å; Y342-W349 HydrophobicContact CG-CD2 4.31Å; Y342-W349 AromaticContact CG-CE2 4Å; Y342-W349 HydrophobicContact CG-CH2 4.41Å; Y342-W349 HydrophobicContact CG-CZ2 4.07Å
343N95.9Very high95.5Very high27 Ų2756.6 Ų56.614%0.14428%0.284CS..EExtended strand (participates in β ladder)trans-91.1111.5174.6-173.9-76.7000110.1N321 E345 R346 D347 E348N321-N343 PolarHBondContact OD1-ND2 2.69Å; N343-E345 PolarHBondContact O-N 3.36Å; N343-E345 WeakPolarHBondContact OD1-CB 3.25Å; N343-E345 PolarHBondContact OD1-N 2.91Å; N343-E345 VanDerWaalsContact OD1-N 3.08Å; N343-R346 HydrophobicContact CB-CB 4.4Å; N343-R346 PolarHBondContact O-N 3.22Å; N343-R346 WeakPolarHBondContact OD1-CG 3.1Å; N343-R346 PolarHBondContact OD1-N 2.98Å; N343-D347 PolarHBondContact O-N 2.95Å; N343-E348 PolarHBondContact N-O 3.05Å
344S93.2Very high96.2Very high13 Ų1353.8 Ų53.89%0.09127%0.274CS..THydrogen-bonded Turntrans-67-21.1-176.169.50000114.6Y276 P320Y276-S344 WeakPolarHBondContact OH-CB 3.46Å; P320-S344 WeakPolarHBondContact CA-OG 3.39Å; P320-S344 VanDerWaalsContact CB-OG 3.32Å; P320-S344 WeakPolarHBondContact CB-OG 3.44Å; P320-S344 VanDerWaalsContact O-CB 3.31Å; P320-S344 WeakPolarHBondContact O-CB 3.35Å; P320-S344 PolarHBondContact O-N 3.18Å; P320-S344 PolarHBondContact O-OG 2.97Å
345E90.6Very high96.5Very high75 Ų7549 Ų4935%0.3525%0.252SS..THydrogen-bonded Turntrans-84-29.3179.7-67.1-178.1-163.400112.2K156 R160 P320 N343K156-E345 IonicContact NZ-OE2 3.86Å; K156-E345 PolarHBondContact NZ-OE2 3.12Å; R160-E345 IonicContact CZ-OE1 2.97Å; R160-E345 IonicContact NH2-OE1 3.8Å; R160-E345 PolarHBondContact NH2-OE1 3.32Å; P320-E345 HydrophobicContact CB-CG 3.91Å; N343-E345 PolarHBondContact O-N 3.36Å; N343-E345 WeakPolarHBondContact OD1-CB 3.25Å; N343-E345 PolarHBondContact OD1-N 2.91Å; N343-E345 VanDerWaalsContact OD1-N 3.08Å
346R93.1Very high96.7Very high167 Ų16751.8 Ų51.863%0.6326%0.262SS*.THydrogen-bonded Turntrans-103.9-15.2-176.9-62.8-179.1-173.8-171.41.5113.7N343 E348N343-R346 HydrophobicContact CB-CB 4.4Å; N343-R346 PolarHBondContact O-N 3.22Å; N343-R346 WeakPolarHBondContact OD1-CG 3.1Å; N343-R346 PolarHBondContact OD1-N 2.98Å; R346-E348 VanDerWaalsContact C-N 3.29Å; R346-E348 HydrophobicContact CB-CB 4.15Å; R346-E348 HydrophobicContact CB-CG 4.11Å
347D95.4Very high96.6Very high62 Ų6253.5 Ų53.533%0.33227%0.271SS..THydrogen-bonded Turntrans56.845.8-172.2-171.213.4000111.2T303 Y342 N343T303-D347 VanDerWaalsContact CB-OD1 3.22Å; T303-D347 WeakPolarHBondContact CB-OD1 3.3Å; T303-D347 PolarHBondContact N-OD1 3.03Å; T303-D347 VanDerWaalsContact OG1-CG 3.28Å; T303-D347 PolarHBondContact OG1-O 2.85Å; T303-D347 VanDerWaalsContact OG1-O 3.05Å; T303-D347 PolarHBondContact OG1-OD1 2.79Å; T303-D347 PolarHBondContact OG1-OD2 3.36Å; Y342-D347 WeakPolarHBondContact CE2-OD1 3.33Å; Y342-D347 PolarHBondContact OH-OD1 3.39Å; N343-D347 PolarHBondContact O-N 2.95Å
348E97.3Very high96.6Very high108 Ų10851.9 Ų51.951%0.50527%0.266SS..EExtended strand (participates in β ladder)trans-131.7140.5-174.5-74.9176.5169.400111.1N343 R346N343-E348 PolarHBondContact N-O 3.05Å; R346-E348 VanDerWaalsContact C-N 3.29Å; R346-E348 HydrophobicContact CB-CB 4.15Å; R346-E348 HydrophobicContact CB-CG 4.11Å
349W98.2Very high96.5Very high34 Ų3450.7 Ų50.713%0.12926%0.259CS..EExtended strand (participates in β ladder)trans-96.6139.7173-71.994.4000111.5I278 V289 T303 D304 M305 P306 V324 W340 I341 Y342I278-W349 HydrophobicContact CG2-CH2 4.1Å; I278-W349 HydrophobicContact CG2-CZ2 4.44Å; V289-W349 HydrophobicContact CG2-CZ2 3.63Å; T303-W349 PolarHBondContact O-NE1 2.78Å; D304-W349 PolarHBondContact O-NE1 2.79Å; M305-W349 HydrophobicContact CB-CH2 3.94Å; M305-W349 HydrophobicContact CB-CZ2 3.62Å; M305-W349 HydrophobicContact CG-CH2 3.99Å; M305-W349 HydrophobicContact CG-CZ2 4.14Å; M305-W349 HydrophobicContact CG-CZ3 4.25Å; M305-W349 HydrophobicContact SD-CH2 4.38Å; P306-W349 HydrophobicContact CG-CB 3.95Å; P306-W349 HydrophobicContact CG-CG 4.19Å; V324-W349 HydrophobicContact CG2-CH2 3.86Å; V324-W349 HydrophobicContact CG2-CZ3 3.96Å; W340-W349 HydrophobicContact CB-CE3 3.69Å; W340-W349 HydrophobicContact CB-CZ3 3.59Å; I341-W349 WeakPolarHBondContact O-CA 3.44Å; Y342-W349 AromaticContact CD2-CD1 3.81Å; Y342-W349 AromaticContact CD2-CD2 3.85Å; Y342-W349 HydrophobicContact CD2-CD2 3.85Å; Y342-W349 AromaticContact CD2-CE2 3.46Å; Y342-W349 VanDerWaalsContact CD2-CE2 3.46Å; Y342-W349 HydrophobicContact CD2-CG 4.09Å; Y342-W349 AromaticContact CD2-CZ2 3.92Å; Y342-W349 HydrophobicContact CD2-CZ2 3.92Å; Y342-W349 AromaticContact CD2-NE1 3.4Å; Y342-W349 AromaticContact CE2-NE1 3.92Å; Y342-W349 HydrophobicContact CG-CD2 4.31Å; Y342-W349 AromaticContact CG-CE2 4Å; Y342-W349 HydrophobicContact CG-CH2 4.41Å; Y342-W349 HydrophobicContact CG-CZ2 4.07Å
350T97.6Very high96.4Very high77 Ų7752.6 Ų52.647%0.47227%0.266SS..EExtended strand (participates in β ladder)trans-131.7146.3171.355.30000110.2I341I341-T350 PolarHBondContact N-O 2.8Å; I341-T350 PolarHBondContact O-N 2.82Å; I341-T350 PolarHBondContact O-OG1 3.22Å
351E97.3Very high96.2Very high135 Ų13552.8 Ų52.863%0.63127%0.267SS*.EExtended strand (participates in β ladder)trans-78.8130.1174-166.5175.4-170.800109.8W340W340-E351 HydrophobicContact CE3-CB 4.25Å; W340-E351 HydrophobicContact CH2-CB 4.29Å; W340-E351 HydrophobicContact CZ3-CB 3.86Å; W340-E351 HydrophobicContact CZ3-CG 4.46Å
352G96.3Very high96.2Very high13 Ų1352.6 Ų52.613%0.13427%0.266CS..PPolyproline II helixtrans-92.3172.917500000112.3V339V339-G352 PolarHBondContact O-N 2.8Å
353C97.1Very high96.1Very high42 Ų4253 Ų5328%0.28427%0.269SS..PPolyproline II helixtrans-65.9136.8172.3-60.30000110.4V339 Y389 K394 W396V339-C353 VanDerWaalsContact CG2-O 3.26Å; V339-C353 WeakPolarHBondContact CG2-O 3.33Å; C353-Y389 HydrophobicContact CB-CE2 3.99Å; C353-K394 PolarHBondContact SG-O 3.38Å; C353-W396 PolarHBondContact O-NE1 3.08Å
354P98Very high96.2Very high77 Ų7752.4 Ų52.450%0.527%0.268SS..PPolyproline II helixtrans-64.6146.3178.327.8-34.7000110.8D337 W396D337-P354 HydrophobicContact CB-CB 4.41Å; D337-P354 CarbonylContact O-C 3.6Å; D337-P354 WeakPolarHBondContact O-CA 3.4Å; P354-W396 PolarHBondContact O-NE1 3.06Å
355M98.3Very high96.4Very high6 Ų652.2 Ų52.23%0.0327%0.266CS..PPolyproline II helixtrans-59.1163171.7-66-172-55.500111.1G326 D337 V339 D357 R359 A373 W396G326-M355 VanDerWaalsContact N-CE 3.32Å; D337-M355 HydrophobicContact CB-CB 4.16Å; D337-M355 PolarHBondContact O-N 3.01Å; V339-M355 HydrophobicContact CG2-CG 4.01Å; M355-D357 VanDerWaalsContact C-N 3.28Å; M355-D357 PolarHBondContact O-N 3.29Å; M355-R359 HydrophobicContact CE-CG 3.6Å; M355-R359 HydrophobicContact SD-CG 4.38Å; M355-A373 HydrophobicContact SD-CB 3.86Å; M355-W396 HydrophobicContact CB-CD2 4.47Å; M355-W396 HydrophobicContact CG-CD2 4.1Å; M355-W396 HydrophobicContact CG-CE3 4.36Å; M355-W396 HydrophobicContact CG-CH2 3.87Å; M355-W396 HydrophobicContact CG-CZ2 3.56Å; M355-W396 HydrophobicContact CG-CZ3 4.26Å; M355-W396 HydrophobicContact SD-CH2 4.21Å; M355-W396 HydrophobicContact SD-CZ2 4.41Å
356L97.6Very high96.7Very high87 Ų8750.4 Ų50.446%0.45526%0.262SS..SBendtrans-67-34.9177.4-62.4170.3000111.8E387 W396 P398L356-E387 WeakPolarHBondContact CB-OE2 3.39Å; L356-E387 HydrophobicContact CD1-CB 4.28Å; L356-E387 WeakPolarHBondContact CD1-OE2 3.28Å; L356-E387 WeakPolarHBondContact CG-OE2 3.38Å; L356-E387 PolarHBondContact N-OE2 2.82Å; L356-W396 HydrophobicContact CD1-CB 4.48Å; L356-W396 HydrophobicContact CD2-CB 4.28Å; L356-W396 HydrophobicContact CG-CB 3.9Å; L356-P398 HydrophobicContact CD1-CB 4.04Å; L356-P398 HydrophobicContact CD1-CG 4.25Å
357D94.9Very high96.8Very high44 Ų4442.7 Ų42.724%0.23523%0.233CC..SBendtrans-137135.9-179.8-69.3-62.9000111.6M355 R359 R378M355-D357 VanDerWaalsContact C-N 3.28Å; M355-D357 PolarHBondContact O-N 3.29Å; D357-R359 PolarHBondContact O-N 3.26Å; D357-R378 IonicContact OD1-CZ 2.97Å; D357-R378 IonicContact OD1-NH1 2.81Å; D357-R378 PolarHBondContact OD1-NH1 2.94Å; D357-R378 IonicContact OD1-NH2 2.67Å; D357-R378 PolarHBondContact OD1-NH2 2.94Å; D357-R378 IonicContact OD2-NH1 3.32Å; D357-R378 PolarHBondContact OD2-NH1 2.66Å
358A96.8Very high96.6Very high26 Ų2641.2 Ų41.222%0.21523%0.232CC..  trans-65.8131.1172.400000111.9A335 L336 D337A335-A358 HydrophobicContact CB-CB 4.04Å; A335-A358 WeakPolarHBondContact O-CB 3.32Å; L336-A358 VanDerWaalsContact C-CB 3.46Å; L336-A358 VanDerWaalsContact O-CA 3.26Å; L336-A358 WeakPolarHBondContact O-CA 3.43Å; D337-A358 HydrophobicContact CB-CB 4.08Å
359R96.2Very high96.4Very high5 Ų536.9 Ų36.92%0.01922%0.217CC..  trans-155156.2-173.861179.879.6-142.58.3111.7G326 G327 L336 M355 D357 H362 G375 Y377 E385 E387G326-R359 CarbonylContact C-O 3.55Å; G326-R359 WeakPolarHBondContact CA-O 3.35Å; G327-R359 PolarHBondContact N-O 2.87Å; L336-R359 PolarHBondContact O-N 2.93Å; L336-R359 VanDerWaalsContact O-N 3.12Å; M355-R359 HydrophobicContact CE-CG 3.6Å; M355-R359 HydrophobicContact SD-CG 4.38Å; D357-R359 PolarHBondContact O-N 3.26Å; R359-H362 HydrophobicContact CG-CB 4.18Å; R359-G375 PolarHBondContact NH1-O 2.87Å; R359-Y377 WeakPolarHBondContact CA-O 3.41Å; R359-E385 PolarHBondContact NH1-O 3.15Å; R359-E387 IonicContact CZ-OE1 2.79Å; R359-E387 IonicContact NE-OE1 3.64Å; R359-E387 PolarHBondContact NE-OE1 3.38Å; R359-E387 IonicContact NH2-OE1 3.78Å; R359-E387 PolarHBondContact NH2-OE1 2.9Å
360Y95.7Very high96.3Very high43 Ų4335.3 Ų35.317%0.16921%0.211CC..BIsolated β-bridgetrans-142.1158.717761.3-77.6000111.2Y328 A335 H362 G376 Y377Y328-Y360 AromaticContact CD1-CD2 3.61Å; Y328-Y360 HydrophobicContact CD1-CD2 3.61Å; Y328-Y360 HydrophobicContact CD1-CE2 4.39Å; Y328-Y360 AromaticContact CD1-CG 3.82Å; Y328-Y360 HydrophobicContact CD1-CG 3.82Å; Y328-Y360 AromaticContact CE1-CD2 3.97Å; Y328-Y360 HydrophobicContact CE1-CD2 3.97Å; Y328-Y360 HydrophobicContact CG-CD2 4.46Å; Y328-Y360 HydrophobicContact CG-CG 4.45Å; A335-Y360 HydrophobicContact CB-CD1 3.92Å; A335-Y360 HydrophobicContact CB-CE1 4.35Å; Y360-H362 PolarHBondContact O-N 3.37Å; Y360-H362 VanDerWaalsContact O-N 3.17Å; Y360-G376 CarbonylContact O-C 3.59Å; Y360-G376 WeakPolarHBondContact O-CA 3.46Å; Y360-Y377 VanDerWaalsContact CD1-O 3.3Å; Y360-Y377 WeakPolarHBondContact CD1-O 3.29Å; Y360-Y377 WeakPolarHBondContact CE1-O 3.43Å; Y360-Y377 HydrophobicContact CE2-CD2 4.39Å; Y360-Y377 HydrophobicContact CE2-CG 4.19Å; Y360-Y377 PolarHBondContact N-O 2.82Å; Y360-Y377 PolarHBondContact O-N 3.42Å
361Y94.9Very high96.3Very high50 Ų5031.6 Ų31.620%0.19619%0.188CC..SBendtrans50.429.6-167.7-60.9-78.1000113.9S312 Y328 G376 Y377 N408S312-Y361 PolarHBondContact O-N 2.97Å; S312-Y361 VanDerWaalsContact OG-CE1 3.29Å; S312-Y361 WeakPolarHBondContact OG-CE1 3.43Å; S312-Y361 PolarHBondContact OG-OH 3.38Å; Y328-Y361 HydrophobicContact CE1-CE2 4.2Å; Y361-G376 WeakPolarHBondContact O-CA 3.22Å; Y361-Y377 HydrophobicContact CD2-CD2 4.09Å; Y361-Y377 HydrophobicContact CD2-CE2 4.39Å; Y361-Y377 HydrophobicContact CG-CD2 4.49Å; Y361-N408 HydrophobicContact CD1-CB 4.09Å; Y361-N408 HydrophobicContact CG-CB 4.35Å; Y361-N408 PolarHBondContact O-N 3.03Å
362H97Very high96.4Very high10 Ų1025.8 Ų25.85%0.04616%0.161CC..  trans-82.3158.4169.861.4-72.7000110.1G314 T325 R359 Y360 L374 G375G314-H362 PolarHBondContact N-CE1 2.98Å; T325-H362 PolarHBondContact O-CE1 3.32Å; T325-H362 PolarHBondContact O-NE2 3.41Å; T325-H362 PolarHBondContact OG1-NE2 2.82Å; R359-H362 HydrophobicContact CG-CB 4.18Å; Y360-H362 PolarHBondContact O-N 3.37Å; Y360-H362 VanDerWaalsContact O-N 3.17Å; H362-L374 WeakPolarHBondContact CB-O 3.35Å; H362-G375 WeakPolarHBondContact CB-O 3.44Å
363C97.4Very high96.5Very high12 Ų1225.2 Ų25.28%0.08115%0.154CC..EExtended strand (participates in β ladder)trans-82.6143.3170.6-52.20000109.6A373 L374 A409 A411C363-A373 WeakPolarHBondContact O-CA 3.4Å; C363-L374 HydrophobicContact CB-CB 4.24Å; C363-L374 PolarHBondContact N-O 2.86Å; C363-L374 PolarHBondContact O-N 3.45Å; C363-A409 VanDerWaalsContact SG-C 3.56Å; C363-A409 PolarHBondContact SG-O 3.24Å; C363-A409 VanDerWaalsContact SG-O 3.37Å; C363-A411 HydrophobicContact CB-CB 3.53Å
364A97.8Very high96.5Very high14 Ų1423.3 Ų23.312%0.11614%0.141CC..EExtended strand (participates in β ladder)trans-121.3131.5167.700000109.8T316 Y372T316-A364 HydrophobicContact CG2-CB 4.18Å; A364-Y372 VanDerWaalsContact CA-O 3.24Å; A364-Y372 WeakPolarHBondContact CA-O 3.44Å
365V97.9Very high96.4Very high10 Ų1019.6 Ų19.66%0.06112%0.117CC..EExtended strand (participates in β ladder)trans-143.6152.4177.9-64.90000110.6T316 Y372 L374 A411 V413 I418T316-V365 WeakPolarHBondContact OG1-CA 3.39Å; V365-Y372 PolarHBondContact N-O 2.8Å; V365-Y372 VanDerWaalsContact N-O 3.09Å; V365-Y372 PolarHBondContact O-N 2.91Å; V365-L374 HydrophobicContact CG2-CD1 3.95Å; V365-A411 HydrophobicContact CG1-CB 3.69Å; V365-V413 HydrophobicContact CB-CG2 4.05Å; V365-V413 HydrophobicContact CG2-CG2 4.15Å; V365-I418 HydrophobicContact CG2-CD1 3.88Å; V365-I418 HydrophobicContact CG2-CG1 3.94Å; V365-I418 HydrophobicContact CG2-CG2 4.32Å
366S96.3Very high96.3Very high37 Ų3719.3 Ų19.326%0.25912%0.116SC..EExtended strand (participates in β ladder)trans-100.9131.5171.250.10000110.6T316 N317 C370 V413T316-S366 PolarHBondContact OG1-N 3.38Å; T316-S366 PolarHBondContact OG1-OG 2.74Å; N317-S366 WeakPolarHBondContact O-CB 3.44Å; N317-S366 PolarHBondContact O-OG 2.81Å; S366-C370 VanDerWaalsContact CA-O 3.26Å; S366-C370 WeakPolarHBondContact CA-O 3.33Å; S366-V413 WeakPolarHBondContact O-CG2 3.26Å
367L95.2Very high96.1Very high5 Ų516.2 Ų16.23%0.02610%0.098CC..EExtended strand (participates in β ladder)trans-141.7129.4176.1167.666.1000108.9G369 C370 Y372 V413 E416 I418L367-G369 PolarHBondContact O-N 2.86Å; L367-C370 PolarHBondContact N-O 3.47Å; L367-C370 PolarHBondContact O-N 3.27Å; L367-Y372 HydrophobicContact CB-CD2 4.01Å; L367-Y372 HydrophobicContact CB-CE2 3.67Å; L367-Y372 HydrophobicContact CD2-CE2 4.32Å; L367-Y372 HydrophobicContact CG-CE2 4.26Å; L367-V413 HydrophobicContact CB-CG1 4.46Å; L367-V413 HydrophobicContact CB-CG2 4.19Å; L367-V413 HydrophobicContact CD1-CG1 3.73Å; L367-E416 VanDerWaalsContact CD1-CA 3.5Å; L367-E416 HydrophobicContact CD1-CB 4.14Å; L367-E416 WeakPolarHBondContact CD1-OE2 3.22Å; L367-E416 WeakPolarHBondContact CD2-O 3.38Å; L367-I418 HydrophobicContact CB-CD1 4.16Å; L367-I418 HydrophobicContact CB-CG1 4.31Å; L367-I418 HydrophobicContact CD2-CD1 3.78Å; L367-I418 HydrophobicContact CD2-CG1 3.86Å
368G91.1Very high95.8Very high30 Ų3018.2 Ų18.231%0.30910%0.102SC..THydrogen-bonded Turntrans41.363.4175.900000111.2R132 C370R132-G368 PolarHBondContact NH1-O 3.03Å; R132-G368 PolarHBondContact NH2-O 2.92Å; G368-C370 VanDerWaalsContact C-N 3.26Å; G368-C370 PolarHBondContact O-N 3.02Å; G368-C370 VanDerWaalsContact O-N 3.16Å
369G92.6Very high95.3Very high18 Ų1826.1 Ų26.119%0.18613%0.132CC..THydrogen-bonded Turntrans72.72.7173.700000117.3R132 L318 L367 P391R132-G369 VanDerWaalsContact CD-O 3.24Å; R132-G369 WeakPolarHBondContact CD-O 3.17Å; R132-G369 PolarHBondContact NE-O 3.07Å; L318-G369 WeakPolarHBondContact CD2-O 3.29Å; L367-G369 PolarHBondContact O-N 2.86Å; G369-P391 WeakPolarHBondContact O-CD 3.46Å
370C96.4Very high94.8Very high0 Ų027.8 Ų27.80%015%0.15CC..EExtended strand (participates in β ladder)trans-120.5163178.3-80.60000111.8R132 S366 L367 G368 Y372 F388 Y389R132-C370 PolarHBondContact NH2-SG 2.68Å; S366-C370 VanDerWaalsContact CA-O 3.26Å; S366-C370 WeakPolarHBondContact CA-O 3.33Å; L367-C370 PolarHBondContact N-O 3.47Å; L367-C370 PolarHBondContact O-N 3.27Å; G368-C370 VanDerWaalsContact C-N 3.26Å; G368-C370 PolarHBondContact O-N 3.02Å; G368-C370 VanDerWaalsContact O-N 3.16Å; C370-Y372 HydrophobicContact CB-CD2 4.4Å; C370-Y372 HydrophobicContact CB-CE2 3.85Å; C370-F388 HydrophobicContact CB-CB 4.44Å; C370-F388 HydrophobicContact CB-CD2 3.92Å; C370-F388 HydrophobicContact CB-CG 4.48Å; C370-F388 VanDerWaalsContact SG-CD2 3.51Å; C370-Y389 WeakPolarHBondContact CA-O 3.18Å; C370-Y389 VanDerWaalsContact CB-O 3.29Å; C370-Y389 WeakPolarHBondContact CB-O 3.41Å; C370-Y389 PolarHBondContact SG-O 3.18Å
371V98.2Very high94.5Very high0 Ų028 Ų280%016%0.162CC..EExtended strand (participates in β ladder)trans-108.4129172.2170.50000108.9T316 Y323 T325 F388 Y389 W396T316-V371 HydrophobicContact CG2-CB 4.35Å; T316-V371 HydrophobicContact CG2-CG1 3.6Å; T316-V371 HydrophobicContact CG2-CG2 4.06Å; Y323-V371 HydrophobicContact CD1-CG2 4.07Å; Y323-V371 HydrophobicContact CD2-CG2 3.73Å; Y323-V371 HydrophobicContact CE1-CG2 4.27Å; Y323-V371 HydrophobicContact CE2-CG2 3.97Å; Y323-V371 HydrophobicContact CG-CG2 3.8Å; T325-V371 HydrophobicContact CG2-CG1 4.47Å; V371-F388 CarbonylContact O-C 3.52Å; V371-F388 WeakPolarHBondContact O-CA 3.46Å; V371-F388 WeakPolarHBondContact O-CB 3.36Å; V371-Y389 PolarHBondContact N-O 3.02Å; V371-Y389 PolarHBondContact O-N 2.94Å; V371-W396 HydrophobicContact CG1-CH2 4.27Å
372Y98.6Very high94.4Very high13 Ų1326.9 Ų26.95%0.05116%0.16CC..EExtended strand (participates in β ladder)trans-108.6137.2-179.7-72-106.8000110.2A364 V365 L367 C370 L374 E387 F388 I399 I418 Y439A364-Y372 VanDerWaalsContact CA-O 3.24Å; A364-Y372 WeakPolarHBondContact CA-O 3.44Å; V365-Y372 PolarHBondContact N-O 2.8Å; V365-Y372 VanDerWaalsContact N-O 3.09Å; V365-Y372 PolarHBondContact O-N 2.91Å; L367-Y372 HydrophobicContact CB-CD2 4.01Å; L367-Y372 HydrophobicContact CB-CE2 3.67Å; L367-Y372 HydrophobicContact CD2-CE2 4.32Å; L367-Y372 HydrophobicContact CG-CE2 4.26Å; C370-Y372 HydrophobicContact CB-CD2 4.4Å; C370-Y372 HydrophobicContact CB-CE2 3.85Å; Y372-L374 HydrophobicContact CD1-CD2 4.37Å; Y372-E387 CarbonylContact C-O 3.43Å; Y372-E387 WeakPolarHBondContact CA-O 3.26Å; Y372-F388 HydrophobicContact CD1-CB 3.65Å; Y372-F388 HydrophobicContact CD2-CB 4.02Å; Y372-F388 HydrophobicContact CE1-CB 3.67Å; Y372-F388 HydrophobicContact CE1-CD1 4.06Å; Y372-F388 HydrophobicContact CE1-CG 4.15Å; Y372-F388 HydrophobicContact CE2-CB 4.03Å; Y372-F388 HydrophobicContact CG-CB 3.83Å; Y372-I399 HydrophobicContact CD1-CD1 4Å; Y372-I399 HydrophobicContact CE1-CD1 4.11Å; Y372-I418 HydrophobicContact CD1-CD1 3.66Å; Y372-I418 HydrophobicContact CD2-CD1 3.96Å; Y372-I418 HydrophobicContact CE1-CD1 3.99Å; Y372-I418 HydrophobicContact CE2-CD1 4.28Å; Y372-I418 HydrophobicContact CG-CD1 3.64Å; Y372-Y439 AromaticContact CE1-CE1 3.85Å; Y372-Y439 HydrophobicContact CE1-CE1 3.85Å
373A98.3Very high94.3Very high0 Ų027.3 Ų27.30%016%0.163CC..EExtended strand (participates in β ladder)trans-115.5120.8169.800000109M355 C363 A386 E387 W396M355-A373 HydrophobicContact SD-CB 3.86Å; C363-A373 WeakPolarHBondContact O-CA 3.4Å; A373-A386 WeakPolarHBondContact O-CA 3.43Å; A373-E387 HydrophobicContact CB-CG 4.08Å; A373-E387 PolarHBondContact N-O 3.48Å; A373-E387 PolarHBondContact O-N 3.44Å; A373-W396 HydrophobicContact CB-CH2 4.16Å; A373-W396 HydrophobicContact CB-CZ3 3.87Å
374L98Very high94.2Very high2 Ų230.8 Ų30.81%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-125.5119.8-165.5-48.6171.3000110.8H362 C363 V365 Y372 A386 I399 M402 A411 I418 V420 W446H362-L374 WeakPolarHBondContact CB-O 3.35Å; C363-L374 HydrophobicContact CB-CB 4.24Å; C363-L374 PolarHBondContact N-O 2.86Å; C363-L374 PolarHBondContact O-N 3.45Å; V365-L374 HydrophobicContact CG2-CD1 3.95Å; Y372-L374 HydrophobicContact CD1-CD2 4.37Å; L374-A386 HydrophobicContact CD2-CB 3.71Å; L374-I399 HydrophobicContact CD2-CD1 4.32Å; L374-M402 HydrophobicContact CB-SD 4.3Å; L374-A411 HydrophobicContact CD1-CB 4.13Å; L374-I418 HydrophobicContact CD1-CG2 3.5Å; L374-V420 HydrophobicContact CD1-CG2 3.83Å; L374-W446 HydrophobicContact CD1-CH2 4.49Å; L374-W446 HydrophobicContact CD2-CH2 4.33Å; L374-W446 HydrophobicContact CD2-CZ2 4.23Å
375G96.2Very high94.2Very high0 Ų033.5 Ų33.50%019%0.189CC..  trans65-134.6175.300000113.6R359 H362 V383 E385R359-G375 PolarHBondContact NH1-O 2.87Å; H362-G375 WeakPolarHBondContact CB-O 3.44Å; G375-V383 WeakPolarHBondContact CA-O 3.42Å; G375-V383 WeakPolarHBondContact O-CG2 3.41Å; G375-E385 PolarHBondContact N-O 3.22Å
376G95.3Very high94.2Very high0 Ų033.2 Ų33.20%019%0.187CC..  trans90.1-166.4-173.400000112.7Y360 Y361 P382 V383 V406Y360-G376 CarbonylContact O-C 3.59Å; Y360-G376 WeakPolarHBondContact O-CA 3.46Å; Y361-G376 WeakPolarHBondContact O-CA 3.22Å; G376-P382 CarbonylContact O-C 3.57Å; G376-P382 VanDerWaalsContact O-CA 3.28Å; G376-P382 WeakPolarHBondContact O-CA 3.28Å; G376-V383 WeakPolarHBondContact O-CG2 3.41Å; G376-V383 PolarHBondContact O-N 2.94Å; G376-V406 PolarHBondContact N-O 2.83Å
377Y93Very high94.3Very high22 Ų2231.5 Ų31.59%0.08618%0.175CC..EExtended strand (participates in β ladder)trans-106.2139.7176.5-72.2-95.6000111.2R359 Y360 Y361 A381 P382 H424R359-Y377 WeakPolarHBondContact CA-O 3.41Å; Y360-Y377 VanDerWaalsContact CD1-O 3.3Å; Y360-Y377 WeakPolarHBondContact CD1-O 3.29Å; Y360-Y377 WeakPolarHBondContact CE1-O 3.43Å; Y360-Y377 HydrophobicContact CE2-CD2 4.39Å; Y360-Y377 HydrophobicContact CE2-CG 4.19Å; Y360-Y377 PolarHBondContact N-O 2.82Å; Y360-Y377 PolarHBondContact O-N 3.42Å; Y361-Y377 HydrophobicContact CD2-CD2 4.09Å; Y361-Y377 HydrophobicContact CD2-CE2 4.39Å; Y361-Y377 HydrophobicContact CG-CD2 4.49Å; Y377-A381 WeakPolarHBondContact CA-O 3.4Å; Y377-P382 HydrophobicContact CD1-CG 4.14Å; Y377-P382 HydrophobicContact CE1-CG 3.63Å; Y377-H424 WeakPolarHBondContact OH-CB 3.46Å; Y377-H424 PolarHBondContact OH-ND1 3.34Å
378R89.8Confident94.4Very high85 Ų8533 Ų3332%0.32118%0.182SC..EExtended strand (participates in β ladder)trans-132.6129.7167.9-171.1-179.1179.5174.610.8108.3D357 G380 A381 V383D357-R378 IonicContact OD1-CZ 2.97Å; D357-R378 IonicContact OD1-NH1 2.81Å; D357-R378 PolarHBondContact OD1-NH1 2.94Å; D357-R378 IonicContact OD1-NH2 2.67Å; D357-R378 PolarHBondContact OD1-NH2 2.94Å; D357-R378 IonicContact OD2-NH1 3.32Å; D357-R378 PolarHBondContact OD2-NH1 2.66Å; R378-G380 PolarHBondContact O-N 3.02Å; R378-A381 PolarHBondContact N-O 2.81Å; R378-A381 PolarHBondContact O-N 3.2Å; R378-V383 HydrophobicContact CB-CG1 3.51Å
379K86.1Confident94.7Very high193 Ų19332.3 Ų32.384%0.83917%0.17SC*.THydrogen-bonded Turntrans49.736.3-179.1-60.3174.9-179.71790112.6
380G84.4Confident94.9Very high39 Ų3932 Ų3240%0.40216%0.164SC..THydrogen-bonded Turntrans80.36.7178.600000116.6R378R378-G380 PolarHBondContact O-N 3.02Å
381A89.7Confident94.8Very high49 Ų4933.6 Ų33.641%0.40517%0.174SC..EExtended strand (participates in β ladder)trans-122142.1177.600000112.1Y377 R378Y377-A381 WeakPolarHBondContact CA-O 3.4Å; R378-A381 PolarHBondContact N-O 2.81Å; R378-A381 PolarHBondContact O-N 3.2Å
382P93.4Very high94.4Very high26 Ų2636.6 Ų36.617%0.16919%0.19CC..EExtended strand (participates in β ladder)trans-61.6133.3171-22.533.5000111.9G376 Y377 G405G376-P382 CarbonylContact O-C 3.57Å; G376-P382 VanDerWaalsContact O-CA 3.28Å; G376-P382 WeakPolarHBondContact O-CA 3.28Å; Y377-P382 HydrophobicContact CD1-CG 4.14Å; Y377-P382 HydrophobicContact CE1-CG 3.63Å; P382-G405 WeakPolarHBondContact CB-O 3.48Å
383V94.5Very high94.1Very high18 Ų1843.2 Ų43.211%0.10922%0.219CC..  trans-109.4150.3-177.1-68.80000112.5G375 G376 R378 E385 M402 G405G375-V383 WeakPolarHBondContact CA-O 3.42Å; G375-V383 WeakPolarHBondContact O-CG2 3.41Å; G376-V383 WeakPolarHBondContact O-CG2 3.41Å; G376-V383 PolarHBondContact O-N 2.94Å; R378-V383 HydrophobicContact CB-CG1 3.51Å; V383-E385 VanDerWaalsContact CB-OE2 3.28Å; V383-E385 WeakPolarHBondContact CB-OE2 3.18Å; V383-M402 WeakPolarHBondContact O-CE 3.34Å; V383-G405 VanDerWaalsContact C-CA 3.44Å; V383-G405 WeakPolarHBondContact O-CA 3.25Å
384Q96.1Very high94Very high85 Ų8550 Ų5040%0.39725%0.249SC..  trans-89.8-18.8177.7-73.5169.647.800112.1N401 M402Q384-N401 HydrophobicContact CB-CB 4.1Å; Q384-M402 WeakPolarHBondContact CG-O 3.27Å; Q384-M402 WeakPolarHBondContact O-CB 3.26Å; Q384-M402 WeakPolarHBondContact O-CG 3.28Å; Q384-M402 PolarHBondContact O-N 2.76Å; Q384-M402 PolarHBondContact OE1-O 3.15Å
385E97Very high93.9Very high71 Ų7156.2 Ų56.233%0.33228%0.276SS..  trans-63135-173.2-67.787.4144.200110.5R359 G375 V383R359-E385 PolarHBondContact NH1-O 3.15Å; G375-E385 PolarHBondContact N-O 3.22Å; V383-E385 VanDerWaalsContact CB-OE2 3.28Å; V383-E385 WeakPolarHBondContact CB-OE2 3.18Å
386A97.5Very high94Very high4 Ų456.5 Ų56.53%0.03328%0.277CS..EExtended strand (participates in β ladder)trans-137.3149.5178.700000109.3A373 L374 I399 W446A373-A386 WeakPolarHBondContact O-CA 3.43Å; L374-A386 HydrophobicContact CD2-CB 3.71Å; A386-I399 VanDerWaalsContact C-CG1 3.47Å; A386-I399 HydrophobicContact CB-CD1 3.73Å; A386-I399 HydrophobicContact CB-CG1 3.63Å; A386-I399 VanDerWaalsContact O-CG1 3.28Å; A386-I399 WeakPolarHBondContact O-CG1 3.43Å; A386-I399 PolarHBondContact O-N 2.99Å; A386-W446 HydrophobicContact CB-CZ2 4.45Å
387E98.3Very high94.1Very high2 Ų258.8 Ų58.81%0.00929%0.29CS..EExtended strand (participates in β ladder)trans-148.2156.8-175.656.4-174.9140.600110.4L356 R359 Y372 A373 W396 V397L356-E387 WeakPolarHBondContact CB-OE2 3.39Å; L356-E387 HydrophobicContact CD1-CB 4.28Å; L356-E387 WeakPolarHBondContact CD1-OE2 3.28Å; L356-E387 WeakPolarHBondContact CG-OE2 3.38Å; L356-E387 PolarHBondContact N-OE2 2.82Å; R359-E387 IonicContact CZ-OE1 2.79Å; R359-E387 IonicContact NE-OE1 3.64Å; R359-E387 PolarHBondContact NE-OE1 3.38Å; R359-E387 IonicContact NH2-OE1 3.78Å; R359-E387 PolarHBondContact NH2-OE1 2.9Å; Y372-E387 CarbonylContact C-O 3.43Å; Y372-E387 WeakPolarHBondContact CA-O 3.26Å; A373-E387 HydrophobicContact CB-CG 4.08Å; A373-E387 PolarHBondContact N-O 3.48Å; A373-E387 PolarHBondContact O-N 3.44Å; E387-W396 HydrophobicContact CB-CE3 4.14Å; E387-W396 HydrophobicContact CG-CE3 3.64Å; E387-W396 HydrophobicContact CG-CZ3 3.91Å; E387-V397 WeakPolarHBondContact CA-O 3.38Å
388F98.1Very high94.4Very high37 Ų3762 Ų6216%0.16231%0.314CS..EExtended strand (participates in β ladder)trans-127.5148.7169.275.2-94000112.2C370 V371 Y372 D390 W396 V397 I399C370-F388 HydrophobicContact CB-CB 4.44Å; C370-F388 HydrophobicContact CB-CD2 3.92Å; C370-F388 HydrophobicContact CB-CG 4.48Å; C370-F388 VanDerWaalsContact SG-CD2 3.51Å; V371-F388 CarbonylContact O-C 3.52Å; V371-F388 WeakPolarHBondContact O-CA 3.46Å; V371-F388 WeakPolarHBondContact O-CB 3.36Å; Y372-F388 HydrophobicContact CD1-CB 3.65Å; Y372-F388 HydrophobicContact CD2-CB 4.02Å; Y372-F388 HydrophobicContact CE1-CB 3.67Å; Y372-F388 HydrophobicContact CE1-CD1 4.06Å; Y372-F388 HydrophobicContact CE1-CG 4.15Å; Y372-F388 HydrophobicContact CE2-CB 4.03Å; Y372-F388 HydrophobicContact CG-CB 3.83Å; F388-D390 HydrophobicContact CD2-CB 4.49Å; F388-D390 HydrophobicContact CE2-CB 4.1Å; F388-W396 VanDerWaalsContact C-CE3 3.43Å; F388-W396 CarbonylContact O-C 3.58Å; F388-W396 VanDerWaalsContact O-CA 3.32Å; F388-W396 WeakPolarHBondContact O-CA 3.44Å; F388-V397 HydrophobicContact CD1-CB 4.45Å; F388-V397 HydrophobicContact CE1-CB 3.94Å; F388-V397 HydrophobicContact CE1-CG1 4.11Å; F388-V397 HydrophobicContact CE2-CB 4.27Å; F388-V397 HydrophobicContact CE2-CG2 4.41Å; F388-V397 HydrophobicContact CZ-CB 3.84Å; F388-V397 HydrophobicContact CZ-CG1 4.15Å; F388-V397 HydrophobicContact CZ-CG2 4.25Å; F388-V397 PolarHBondContact N-O 3.34Å; F388-V397 PolarHBondContact O-N 2.83Å; F388-I399 HydrophobicContact CD1-CG2 3.41Å; F388-I399 VanDerWaalsContact CD1-CG2 3.41Å; F388-I399 HydrophobicContact CE1-CG2 3.7Å
389Y98.3Very high94.8Very high14 Ų1458.6 Ų58.66%0.05530%0.302CS..EExtended strand (participates in β ladder)trans-94.3126.7170.4-179.4-114.2000110.2Y323 C353 C370 V371 P391 W396Y323-Y389 AromaticContact CE1-CD1 3.9Å; Y323-Y389 HydrophobicContact CE1-CD1 3.9Å; Y323-Y389 AromaticContact CE1-CE1 3.82Å; Y323-Y389 HydrophobicContact CE1-CE1 3.82Å; C353-Y389 HydrophobicContact CB-CE2 3.99Å; C370-Y389 WeakPolarHBondContact CA-O 3.18Å; C370-Y389 VanDerWaalsContact CB-O 3.29Å; C370-Y389 WeakPolarHBondContact CB-O 3.41Å; C370-Y389 PolarHBondContact SG-O 3.18Å; V371-Y389 PolarHBondContact N-O 3.02Å; V371-Y389 PolarHBondContact O-N 2.94Å; Y389-P391 HydrophobicContact CD1-CG 3.97Å; Y389-P391 HydrophobicContact CE1-CB 4.01Å; Y389-P391 HydrophobicContact CE1-CG 3.91Å; Y389-P391 WeakPolarHBondContact O-CD 3.28Å; Y389-W396 AromaticContact CD2-CD1 3.76Å; Y389-W396 HydrophobicContact CD2-CD2 4.25Å; Y389-W396 AromaticContact CD2-CE2 3.93Å; Y389-W396 HydrophobicContact CD2-CG 4.16Å; Y389-W396 AromaticContact CD2-NE1 3.62Å; Y389-W396 HydrophobicContact CG-CD2 4.42Å; Y389-W396 HydrophobicContact CG-CZ2 4.26Å
390D95.9Very high95.3Very high12 Ų1250.8 Ų50.86%0.06427%0.274CS..EExtended strand (participates in β ladder)trans-98.1107.3169.4-174.1-16.5000109.5F388 L392 K393 K394 K395F388-D390 HydrophobicContact CD2-CB 4.49Å; F388-D390 HydrophobicContact CE2-CB 4.1Å; D390-L392 PolarHBondContact O-N 3.49Å; D390-L392 WeakPolarHBondContact OD1-CB 3.39Å; D390-L392 PolarHBondContact OD1-N 3.3Å; D390-K393 HydrophobicContact CB-CB 4.15Å; D390-K393 HydrophobicContact CB-CD 4.45Å; D390-K393 HydrophobicContact CB-CG 4.44Å; D390-K393 CarbonylContact O-C 3.56Å; D390-K393 PolarHBondContact O-N 3.5Å; D390-K393 VanDerWaalsContact OD2-CD 3.23Å; D390-K393 WeakPolarHBondContact OD2-CD 3.41Å; D390-K393 VanDerWaalsContact OD2-CE 3.27Å; D390-K393 WeakPolarHBondContact OD2-CE 3.41Å; D390-K393 WeakPolarHBondContact OD2-CG 3.38Å; D390-K393 IonicContact OD2-NZ 3.55Å; D390-K394 WeakPolarHBondContact O-CA 3.48Å; D390-K394 PolarHBondContact O-N 2.93Å; D390-K395 PolarHBondContact N-O 2.75Å; D390-K395 PolarHBondContact O-N 3.34Å
391P93.4Very high96Very high33 Ų3353.2 Ų53.221%0.21428%0.278CS..THydrogen-bonded Turntrans-62-25179.9-22.533.2000114L318 G369 Y389L318-P391 HydrophobicContact CD2-CG 3.8Å; G369-P391 WeakPolarHBondContact O-CD 3.46Å; Y389-P391 HydrophobicContact CD1-CG 3.97Å; Y389-P391 HydrophobicContact CE1-CB 4.01Å; Y389-P391 HydrophobicContact CE1-CG 3.91Å; Y389-P391 WeakPolarHBondContact O-CD 3.28Å
392L91.5Very high96.4Very high64 Ų6451 Ų5134%0.33526%0.259SS..THydrogen-bonded Turntrans-71.4-41.4176.3-65.5-173.1000111.6Q128 F129 R132 D390Q128-L392 HydrophobicContact CB-CD2 3.59Å; F129-L392 HydrophobicContact CD2-CD1 4.2Å; R132-L392 HydrophobicContact CB-CD1 3.61Å; R132-L392 HydrophobicContact CB-CD2 4.32Å; R132-L392 HydrophobicContact CB-CG 3.97Å; R132-L392 HydrophobicContact CG-CD1 3.52Å; R132-L392 HydrophobicContact CG-CG 3.96Å; D390-L392 PolarHBondContact O-N 3.49Å; D390-L392 WeakPolarHBondContact OD1-CB 3.39Å; D390-L392 PolarHBondContact OD1-N 3.3Å
393K92.1Very high96.5Very high151 Ų15153 Ų5366%0.65727%0.267SS*.THydrogen-bonded Turntrans-88.7-11.6-179.6-62.1177.6-169.9161.20112.8D390 K395D390-K393 HydrophobicContact CB-CB 4.15Å; D390-K393 HydrophobicContact CB-CD 4.45Å; D390-K393 HydrophobicContact CB-CG 4.44Å; D390-K393 CarbonylContact O-C 3.56Å; D390-K393 PolarHBondContact O-N 3.5Å; D390-K393 VanDerWaalsContact OD2-CD 3.23Å; D390-K393 WeakPolarHBondContact OD2-CD 3.41Å; D390-K393 VanDerWaalsContact OD2-CE 3.27Å; D390-K393 WeakPolarHBondContact OD2-CE 3.41Å; D390-K393 WeakPolarHBondContact OD2-CG 3.38Å; D390-K393 IonicContact OD2-NZ 3.55Å; K393-K395 VanDerWaalsContact C-N 3.25Å; K393-K395 HydrophobicContact CB-CB 4.31Å; K393-K395 PolarHBondContact O-N 2.86Å
394K94.5Very high96.5Very high144 Ų14455.9 Ų55.963%0.62628%0.278SS*.THydrogen-bonded Turntrans48.749.1-172.5-59.1-176178.1-174.50111.5C353 D390C353-K394 PolarHBondContact SG-O 3.38Å; D390-K394 WeakPolarHBondContact O-CA 3.48Å; D390-K394 PolarHBondContact O-N 2.93Å
395K96.9Very high96.5Very high132 Ų13252.1 Ų52.157%0.57426%0.263SS*.EExtended strand (participates in β ladder)trans-146.4139.5-173.3-172175.2179.5-179.50111.5D390 K393D390-K395 PolarHBondContact N-O 2.75Å; D390-K395 PolarHBondContact O-N 3.34Å; K393-K395 VanDerWaalsContact C-N 3.25Å; K393-K395 HydrophobicContact CB-CB 4.31Å; K393-K395 PolarHBondContact O-N 2.86Å
396W98.4Very high96.4Very high6 Ų648.9 Ų48.92%0.02325%0.248CC..EExtended strand (participates in β ladder)trans-83.3135.8167.2-69.490.5000111.1T325 V339 C353 P354 M355 L356 V371 A373 E387 F388 Y389T325-W396 HydrophobicContact CG2-CH2 4.09Å; T325-W396 HydrophobicContact CG2-CZ2 4.18Å; V339-W396 HydrophobicContact CG2-CZ2 3.83Å; C353-W396 PolarHBondContact O-NE1 3.08Å; P354-W396 PolarHBondContact O-NE1 3.06Å; M355-W396 HydrophobicContact CB-CD2 4.47Å; M355-W396 HydrophobicContact CG-CD2 4.1Å; M355-W396 HydrophobicContact CG-CE3 4.36Å; M355-W396 HydrophobicContact CG-CH2 3.87Å; M355-W396 HydrophobicContact CG-CZ2 3.56Å; M355-W396 HydrophobicContact CG-CZ3 4.26Å; M355-W396 HydrophobicContact SD-CH2 4.21Å; M355-W396 HydrophobicContact SD-CZ2 4.41Å; L356-W396 HydrophobicContact CD1-CB 4.48Å; L356-W396 HydrophobicContact CD2-CB 4.28Å; L356-W396 HydrophobicContact CG-CB 3.9Å; V371-W396 HydrophobicContact CG1-CH2 4.27Å; A373-W396 HydrophobicContact CB-CH2 4.16Å; A373-W396 HydrophobicContact CB-CZ3 3.87Å; E387-W396 HydrophobicContact CB-CE3 4.14Å; E387-W396 HydrophobicContact CG-CE3 3.64Å; E387-W396 HydrophobicContact CG-CZ3 3.91Å; F388-W396 VanDerWaalsContact C-CE3 3.43Å; F388-W396 CarbonylContact O-C 3.58Å; F388-W396 VanDerWaalsContact O-CA 3.32Å; F388-W396 WeakPolarHBondContact O-CA 3.44Å; Y389-W396 AromaticContact CD2-CD1 3.76Å; Y389-W396 HydrophobicContact CD2-CD2 4.25Å; Y389-W396 AromaticContact CD2-CE2 3.93Å; Y389-W396 HydrophobicContact CD2-CG 4.16Å; Y389-W396 AromaticContact CD2-NE1 3.62Å; Y389-W396 HydrophobicContact CG-CD2 4.42Å; Y389-W396 HydrophobicContact CG-CZ2 4.26Å
397V98Very high96.2Very high47 Ų4748.7 Ų48.729%0.28525%0.246SC..EExtended strand (participates in β ladder)trans-128.4129.1-177.5-177.40000108.3E387 F388E387-V397 WeakPolarHBondContact CA-O 3.38Å; F388-V397 HydrophobicContact CD1-CB 4.45Å; F388-V397 HydrophobicContact CE1-CB 3.94Å; F388-V397 HydrophobicContact CE1-CG1 4.11Å; F388-V397 HydrophobicContact CE2-CB 4.27Å; F388-V397 HydrophobicContact CE2-CG2 4.41Å; F388-V397 HydrophobicContact CZ-CB 3.84Å; F388-V397 HydrophobicContact CZ-CG1 4.15Å; F388-V397 HydrophobicContact CZ-CG2 4.25Å; F388-V397 PolarHBondContact N-O 3.34Å; F388-V397 PolarHBondContact O-N 2.83Å
398P98.1Very high96Very high90 Ų9049.7 Ų49.758%0.58425%0.251SS*.EExtended strand (participates in β ladder)trans-69.8144.6176.830.8-33.8000110.3L356L356-P398 HydrophobicContact CD1-CB 4.04Å; L356-P398 HydrophobicContact CD1-CG 4.25Å
399I97.9Very high95.8Very high13 Ų1348.6 Ų48.67%0.06725%0.249CC..  trans-113.1178.1171.155.6163.5000110.4Y372 L374 A386 F388 N401 Y439 N444 W446Y372-I399 HydrophobicContact CD1-CD1 4Å; Y372-I399 HydrophobicContact CE1-CD1 4.11Å; L374-I399 HydrophobicContact CD2-CD1 4.32Å; A386-I399 VanDerWaalsContact C-CG1 3.47Å; A386-I399 HydrophobicContact CB-CD1 3.73Å; A386-I399 HydrophobicContact CB-CG1 3.63Å; A386-I399 VanDerWaalsContact O-CG1 3.28Å; A386-I399 WeakPolarHBondContact O-CG1 3.43Å; A386-I399 PolarHBondContact O-N 2.99Å; F388-I399 HydrophobicContact CD1-CG2 3.41Å; F388-I399 VanDerWaalsContact CD1-CG2 3.41Å; F388-I399 HydrophobicContact CE1-CG2 3.7Å; I399-N401 PolarHBondContact O-N 3.29Å; I399-Y439 HydrophobicContact CB-CE2 4.4Å; I399-Y439 HydrophobicContact CD1-CD1 4.41Å; I399-Y439 HydrophobicContact CD1-CD2 4.35Å; I399-Y439 HydrophobicContact CD1-CE1 3.95Å; I399-Y439 HydrophobicContact CD1-CE2 3.88Å; I399-Y439 WeakPolarHBondContact CG2-OH 3.16Å; I399-N444 WeakPolarHBondContact CB-OD1 3.48Å; I399-W446 HydrophobicContact CD1-CZ2 4.4Å
400A97.9Very high95.7Very high30 Ų3048.6 Ų48.625%0.24825%0.251CS..PPolyproline II helixtrans-54.7139.7173.600000110.6N444 W446A400-N444 WeakPolarHBondContact CB-O 3.49Å; A400-N444 WeakPolarHBondContact CB-OD1 3.46Å; A400-N444 PolarHBondContact N-OD1 3.33Å; A400-W446 PolarHBondContact O-NE1 3Å
401N97.9Very high95.8Very high90 Ų9048.8 Ų48.848%0.48125%0.254SS..PPolyproline II helixtrans-65.1140.7177.2-72.7-14.7000110.5Q384 I399Q384-N401 HydrophobicContact CB-CB 4.1Å; I399-N401 PolarHBondContact O-N 3.29Å
402M97.6Very high96Very high1 Ų147.7 Ų47.71%0.00525%0.247CC..PPolyproline II helixtrans-58.9151.3171.3-61.7-172.1-58.100110.7L374 V383 Q384 K404 V406 V420 W446L374-M402 HydrophobicContact CB-SD 4.3Å; V383-M402 WeakPolarHBondContact O-CE 3.34Å; Q384-M402 WeakPolarHBondContact CG-O 3.27Å; Q384-M402 WeakPolarHBondContact O-CB 3.26Å; Q384-M402 WeakPolarHBondContact O-CG 3.28Å; Q384-M402 PolarHBondContact O-N 2.76Å; Q384-M402 PolarHBondContact OE1-O 3.15Å; M402-K404 PolarHBondContact O-N 3.06Å; M402-V406 HydrophobicContact CE-CG2 4.14Å; M402-V420 HydrophobicContact SD-CG1 4.45Å; M402-V420 HydrophobicContact SD-CG2 4.49Å; M402-W446 HydrophobicContact CB-CD2 4.41Å; M402-W446 HydrophobicContact CG-CD2 4.12Å; M402-W446 HydrophobicContact CG-CE3 4.33Å; M402-W446 HydrophobicContact CG-CH2 3.75Å; M402-W446 HydrophobicContact CG-CZ2 3.49Å; M402-W446 VanDerWaalsContact CG-CZ2 3.49Å; M402-W446 HydrophobicContact CG-CZ3 4.16Å; M402-W446 HydrophobicContact SD-CH2 4.08Å; M402-W446 HydrophobicContact SD-CZ2 4.32Å
403I96.7Very high96.2Very high68 Ų6846.3 Ų46.335%0.34924%0.241SC..SBendtrans-63.3-35.5178.5-60.8167.9000111Q437 W446 I448I403-Q437 VanDerWaalsContact CB-OE1 3.29Å; I403-W446 HydrophobicContact CD1-CB 4.1Å; I403-W446 HydrophobicContact CG1-CB 3.84Å; I403-I448 HydrophobicContact CD1-CD1 4.33Å; I403-I448 HydrophobicContact CD1-CG1 3.72Å; I403-I448 HydrophobicContact CG2-CD1 4.19Å
404K95.2Very high96.4Very high80 Ų8039.7 Ų39.735%0.34821%0.212SC..SBendtrans-133.5133.2173.4-164.363.659.5-172.40110.6M402 V406 Y425 Y433 Q437M402-K404 PolarHBondContact O-N 3.06Å; K404-V406 HydrophobicContact CG-CG1 4.46Å; K404-Y425 HydrophobicContact CD-CD2 4.07Å; K404-Y425 HydrophobicContact CG-CD2 4.27Å; K404-Y425 HydrophobicContact CG-CG 4.37Å; K404-Y433 HydrophobicContact CB-CD2 4.17Å; K404-Y433 HydrophobicContact CB-CE1 4.15Å; K404-Y433 HydrophobicContact CB-CE2 3.62Å; K404-Y433 HydrophobicContact CG-CD2 3.8Å; K404-Y433 HydrophobicContact CG-CE2 3.63Å; K404-Y433 HydrophobicContact CG-CG 4.44Å; K404-Q437 PolarHBondContact O-NE2 3.23Å
405G94.5Very high96.1Very high6 Ų637.4 Ų37.46%0.06220%0.204CC..  trans-75126.117200000110P382 V383P382-G405 WeakPolarHBondContact CB-O 3.48Å; V383-G405 VanDerWaalsContact C-CA 3.44Å; V383-G405 WeakPolarHBondContact O-CA 3.25Å
406V95.2Very high95.8Very high3 Ų336.5 Ų36.52%0.01820%0.202CC..  trans-134.1143.9-175.1-66.20000109.6G376 M402 K404 A409 V420 H424 Y433G376-V406 PolarHBondContact N-O 2.83Å; M402-V406 HydrophobicContact CE-CG2 4.14Å; K404-V406 HydrophobicContact CG-CG1 4.46Å; V406-A409 HydrophobicContact CB-CB 3.96Å; V406-A409 HydrophobicContact CG2-CB 3.57Å; V406-V420 HydrophobicContact CG2-CG1 3.86Å; V406-H424 WeakPolarHBondContact CA-O 3.41Å; V406-Y433 HydrophobicContact CG1-CD1 3.94Å; V406-Y433 HydrophobicContact CG1-CG 3.96Å
407G93.4Very high95.7Very high0 Ų037.5 Ų37.50%021%0.207CC..BIsolated β-bridgetrans-130.5149.7171.900000111A409 G423 H424G407-A409 PolarHBondContact O-N 3.32Å; G407-G423 CarbonylContact O-C 3.52Å; G407-G423 WeakPolarHBondContact O-CA 3.45Å; G407-H424 PolarHBondContact N-O 3.36Å; G407-H424 PolarHBondContact O-N 2.79Å
408N93.6Very high95.7Very high23 Ų2335.2 Ų35.212%0.12319%0.194CC..SBendtrans55.931.3-168.5-153.29.9000112.5Y361 G423 G458 E500Y361-N408 HydrophobicContact CD1-CB 4.09Å; Y361-N408 HydrophobicContact CG-CB 4.35Å; Y361-N408 PolarHBondContact O-N 3.03Å; N408-G423 WeakPolarHBondContact O-CA 3.3Å; N408-G458 PolarHBondContact O-N 3.2Å; N408-G458 VanDerWaalsContact O-N 3.09Å; N408-E500 PolarHBondContact ND2-OE1 3.37Å
409A95.6Very high95.7Very high14 Ų1431.4 Ų31.412%0.11617%0.167CC..  trans-83177171.500000110C363 V406 G407 V420 G422C363-A409 VanDerWaalsContact SG-C 3.56Å; C363-A409 PolarHBondContact SG-O 3.24Å; C363-A409 VanDerWaalsContact SG-O 3.37Å; V406-A409 HydrophobicContact CB-CB 3.96Å; V406-A409 HydrophobicContact CG2-CB 3.57Å; G407-A409 PolarHBondContact O-N 3.32Å; A409-V420 HydrophobicContact CB-CG1 4.28Å; A409-G422 WeakPolarHBondContact CB-O 3.49Å
410T96.1Very high95.7Very high14 Ų1430.8 Ų30.89%0.08616%0.164CC..EExtended strand (participates in β ladder)trans-118.5152.6170.8-1730000111V420 T421 L459 S461 F470T410-V420 WeakPolarHBondContact O-CA 3.37Å; T410-T421 WeakPolarHBondContact CG2-O 3.27Å; T410-T421 PolarHBondContact N-O 3.5Å; T410-T421 PolarHBondContact O-N 3.24Å; T410-L459 WeakPolarHBondContact CB-O 3.45Å; T410-L459 HydrophobicContact CG2-CD1 3.63Å; T410-L459 HydrophobicContact CG2-CD2 4.12Å; T410-L459 HydrophobicContact CG2-CG 3.62Å; T410-S461 WeakPolarHBondContact CG2-OG 3.48Å; T410-S461 WeakPolarHBondContact OG1-CB 3.41Å; T410-S461 PolarHBondContact OG1-N 3.47Å; T410-S461 PolarHBondContact OG1-OG 3.29Å; T410-F470 HydrophobicContact CG2-CD1 4.44Å; T410-F470 HydrophobicContact CG2-CE1 4.49Å
411A97.6Very high95.6Very high15 Ų1529.6 Ų29.612%0.12415%0.154CC..EExtended strand (participates in β ladder)trans-137.6150.7171.800000112.2C363 V365 L374 Y419 V420 S461C363-A411 HydrophobicContact CB-CB 3.53Å; V365-A411 HydrophobicContact CG1-CB 3.69Å; L374-A411 HydrophobicContact CD1-CB 4.13Å; A411-Y419 CarbonylContact C-O 3.56Å; A411-Y419 WeakPolarHBondContact CA-O 3.29Å; A411-Y419 WeakPolarHBondContact CB-O 3.48Å; A411-V420 HydrophobicContact CB-CG2 4.01Å; A411-S461 PolarHBondContact N-OG 2.87Å; A411-S461 PolarHBondContact O-OG 3.32Å
412C97.1Very high95.4Very high10 Ų1025.3 Ų25.37%0.06813%0.131CC..EExtended strand (participates in β ladder)trans-147.6165172.563.30000110.9Y419 T463 I468C412-Y419 PolarHBondContact N-O 3.37Å; C412-Y419 PolarHBondContact O-N 3.43Å; C412-T463 HydrophobicContact CB-CG2 4.15Å; C412-I468 VanDerWaalsContact SG-CG2 3.56Å
413V96.8Very high95.1Very high36 Ų3625.3 Ų25.322%0.21813%0.131CC..EExtended strand (participates in β ladder)trans-114.9126.6178.9177.20000110.1V365 S366 L367 I417 I418 T463V365-V413 HydrophobicContact CB-CG2 4.05Å; V365-V413 HydrophobicContact CG2-CG2 4.15Å; S366-V413 WeakPolarHBondContact O-CG2 3.26Å; L367-V413 HydrophobicContact CB-CG1 4.46Å; L367-V413 HydrophobicContact CB-CG2 4.19Å; L367-V413 HydrophobicContact CD1-CG1 3.73Å; V413-I417 WeakPolarHBondContact CA-O 3.33Å; V413-I418 HydrophobicContact CG2-CG1 3.77Å; V413-T463 VanDerWaalsContact O-CG2 3.28Å; V413-T463 WeakPolarHBondContact O-CG2 3.13Å; V413-T463 PolarHBondContact O-OG1 3Å
414L94.8Very high94.8Very high11 Ų1123.9 Ų23.96%0.05812%0.123CC..EExtended strand (participates in β ladder)trans-134.4130.1173-173.870.9000109.2E416 I417 Y419 T463 I468 P483L414-E416 VanDerWaalsContact C-N 3.34Å; L414-E416 PolarHBondContact O-N 3.4Å; L414-I417 PolarHBondContact N-O 2.86Å; L414-I417 WeakPolarHBondContact O-CA 3.37Å; L414-I417 WeakPolarHBondContact O-CB 3.32Å; L414-I417 PolarHBondContact O-N 3.49Å; L414-Y419 HydrophobicContact CB-CD2 4.28Å; L414-Y419 HydrophobicContact CB-CE2 3.85Å; L414-T463 HydrophobicContact CB-CG2 3.82Å; L414-T463 HydrophobicContact CD1-CG2 3.99Å; L414-T463 HydrophobicContact CG-CG2 4.43Å; L414-I468 HydrophobicContact CD2-CG1 4.13Å; L414-P483 HydrophobicContact CD2-CG 3.69Å
415H89.3Confident94.4Very high96 Ų9623.5 Ų23.544%0.44412%0.12SC..THydrogen-bonded Turntrans47.850.9176.6-53.5135.6000113.7I417 N466 E484H415-I417 PolarHBondContact O-N 3.42Å; H415-I417 VanDerWaalsContact O-N 3.14Å; H415-N466 VanDerWaalsContact NE2-CG 3.3Å; H415-N466 PolarHBondContact NE2-OD1 3.06Å; H415-E484 IonicContact CE1-OE1 3.62Å
416E90.9Very high93.5Very high114 Ų11424.9 Ų24.953%0.53314%0.135SC..THydrogen-bonded Turntrans62.512.7-177.8-61.6-67116.100115.8L367 L414L367-E416 VanDerWaalsContact CD1-CA 3.5Å; L367-E416 HydrophobicContact CD1-CB 4.14Å; L367-E416 WeakPolarHBondContact CD1-OE2 3.22Å; L367-E416 WeakPolarHBondContact CD2-O 3.38Å; L414-E416 VanDerWaalsContact C-N 3.34Å; L414-E416 PolarHBondContact O-N 3.4Å
417I96.3Very high92.1Very high26 Ų2633.6 Ų33.613%0.13317%0.168CC..EExtended strand (participates in β ladder)trans-113.2133.6179.1-61166.1000109.2V413 L414 H415 Y419 R438 Y439 H440V413-I417 WeakPolarHBondContact CA-O 3.33Å; L414-I417 PolarHBondContact N-O 2.86Å; L414-I417 WeakPolarHBondContact O-CA 3.37Å; L414-I417 WeakPolarHBondContact O-CB 3.32Å; L414-I417 PolarHBondContact O-N 3.49Å; H415-I417 PolarHBondContact O-N 3.42Å; H415-I417 VanDerWaalsContact O-N 3.14Å; I417-Y419 HydrophobicContact CB-CD2 4.43Å; I417-Y419 HydrophobicContact CB-CE2 3.69Å; I417-Y419 HydrophobicContact CG2-CD2 4.01Å; I417-Y419 HydrophobicContact CG2-CE1 4.43Å; I417-Y419 HydrophobicContact CG2-CE2 3.46Å; I417-Y419 VanDerWaalsContact CG2-CE2 3.46Å; I417-Y419 WeakPolarHBondContact O-CD2 3.4Å; I417-R438 HydrophobicContact CG2-CB 3.81Å; I417-R438 HydrophobicContact CG2-CG 4.45Å; I417-Y439 WeakPolarHBondContact CG2-O 3.38Å; I417-H440 VanDerWaalsContact CD1-CE1 3.46Å; I417-H440 WeakPolarHBondContact CD1-CE1 3.39Å
418I98.4Very high90.7Very high0 Ų043.1 Ų43.10%020%0.204CC..EExtended strand (participates in β ladder)trans-87.6131.7171.6-72.6163.9000108.6V365 L367 Y372 L374 V413 V420 R438 Y439 W446V365-I418 HydrophobicContact CG2-CD1 3.88Å; V365-I418 HydrophobicContact CG2-CG1 3.94Å; V365-I418 HydrophobicContact CG2-CG2 4.32Å; L367-I418 HydrophobicContact CB-CD1 4.16Å; L367-I418 HydrophobicContact CB-CG1 4.31Å; L367-I418 HydrophobicContact CD2-CD1 3.78Å; L367-I418 HydrophobicContact CD2-CG1 3.86Å; Y372-I418 HydrophobicContact CD1-CD1 3.66Å; Y372-I418 HydrophobicContact CD2-CD1 3.96Å; Y372-I418 HydrophobicContact CE1-CD1 3.99Å; Y372-I418 HydrophobicContact CE2-CD1 4.28Å; Y372-I418 HydrophobicContact CG-CD1 3.64Å; L374-I418 HydrophobicContact CD1-CG2 3.5Å; V413-I418 HydrophobicContact CG2-CG1 3.77Å; I418-V420 HydrophobicContact CG2-CG2 4.08Å; I418-R438 CarbonylContact O-C 3.53Å; I418-R438 WeakPolarHBondContact O-CA 3.48Å; I418-Y439 HydrophobicContact CB-CD1 4.47Å; I418-Y439 HydrophobicContact CD1-CD1 4.07Å; I418-Y439 PolarHBondContact N-O 3.17Å; I418-Y439 PolarHBondContact O-N 2.86Å; I418-W446 HydrophobicContact CG2-CH2 4.32Å
419Y98.1Very high89.3Confident9 Ų942.5 Ų42.54%0.03520%0.203CC..EExtended strand (participates in β ladder)trans-113.5134.2172.6-64.8-100.3000109.2A411 C412 L414 I417 I436 Q437 R438 V449 I468 P483A411-Y419 CarbonylContact C-O 3.56Å; A411-Y419 WeakPolarHBondContact CA-O 3.29Å; A411-Y419 WeakPolarHBondContact CB-O 3.48Å; C412-Y419 PolarHBondContact N-O 3.37Å; C412-Y419 PolarHBondContact O-N 3.43Å; L414-Y419 HydrophobicContact CB-CD2 4.28Å; L414-Y419 HydrophobicContact CB-CE2 3.85Å; I417-Y419 HydrophobicContact CB-CD2 4.43Å; I417-Y419 HydrophobicContact CB-CE2 3.69Å; I417-Y419 HydrophobicContact CG2-CD2 4.01Å; I417-Y419 HydrophobicContact CG2-CE1 4.43Å; I417-Y419 HydrophobicContact CG2-CE2 3.46Å; I417-Y419 VanDerWaalsContact CG2-CE2 3.46Å; I417-Y419 WeakPolarHBondContact O-CD2 3.4Å; Y419-I436 HydrophobicContact CD1-CG2 3.83Å; Y419-Q437 CarbonylContact C-O 3.47Å; Y419-Q437 WeakPolarHBondContact CA-O 3.13Å; Y419-R438 HydrophobicContact CD1-CB 3.93Å; Y419-R438 HydrophobicContact CE1-CB 3.96Å; Y419-V449 HydrophobicContact CD1-CG1 4.39Å; Y419-V449 HydrophobicContact CE1-CG1 4.25Å; Y419-I468 HydrophobicContact CD1-CD1 3.77Å; Y419-I468 HydrophobicContact CD2-CD1 3.73Å; Y419-I468 HydrophobicContact CE1-CD1 4.1Å; Y419-I468 HydrophobicContact CE2-CD1 4.1Å; Y419-I468 HydrophobicContact CG-CD1 3.56Å; Y419-P483 HydrophobicContact CE1-CB 4.42Å; Y419-P483 HydrophobicContact CE1-CG 4.45Å
420V97.7Very high88.2Confident1 Ų146.2 Ų46.21%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-125.7126.4176.3-177.40000108.9L374 M402 V406 A409 T410 A411 I418 Q437 W446L374-V420 HydrophobicContact CD1-CG2 3.83Å; M402-V420 HydrophobicContact SD-CG1 4.45Å; M402-V420 HydrophobicContact SD-CG2 4.49Å; V406-V420 HydrophobicContact CG2-CG1 3.86Å; A409-V420 HydrophobicContact CB-CG1 4.28Å; T410-V420 WeakPolarHBondContact O-CA 3.37Å; A411-V420 HydrophobicContact CB-CG2 4.01Å; I418-V420 HydrophobicContact CG2-CG2 4.08Å; V420-Q437 PolarHBondContact N-O 3.35Å; V420-Q437 PolarHBondContact O-N 3.42Å; V420-W446 HydrophobicContact CB-CZ3 4.34Å; V420-W446 HydrophobicContact CG2-CH2 3.77Å; V420-W446 HydrophobicContact CG2-CZ3 3.78Å
421T95.4Very high87.6Confident4 Ų448 Ų483%0.02524%0.241CC..EExtended strand (participates in β ladder)trans-139.7149.1-173.7-53.20000111T410 I436 F470T410-T421 WeakPolarHBondContact CG2-O 3.27Å; T410-T421 PolarHBondContact N-O 3.5Å; T410-T421 PolarHBondContact O-N 3.24Å; T421-I436 HydrophobicContact CG2-CD1 4.35Å; T421-I436 HydrophobicContact CG2-CG1 3.82Å; T421-I436 WeakPolarHBondContact OG1-CG1 3.35Å; T421-F470 HydrophobicContact CG2-CD1 4.45Å; T421-F470 HydrophobicContact CG2-CE1 3.81Å; T421-F470 HydrophobicContact CG2-CZ 4.27Å
422G92.9Very high87.3Confident1 Ų149.6 Ų49.61%0.0125%0.249CC..  trans74.3-156.4171.800000113.4A409 Y433 E456A409-G422 WeakPolarHBondContact CB-O 3.49Å; G422-Y433 VanDerWaalsContact CA-O 3.25Å; G422-Y433 WeakPolarHBondContact CA-O 3.33Å; G422-E456 CarbonylContact C-O 3.57Å; G422-E456 VanDerWaalsContact CA-O 3.25Å; G422-E456 WeakPolarHBondContact CA-O 3.17Å
423G91.6Very high87.1Confident0 Ų049.6 Ų49.60%025%0.248CC..  trans78174.4-179.800000113.5G407 N408 T432 Y433 E456G407-G423 CarbonylContact O-C 3.52Å; G407-G423 WeakPolarHBondContact O-CA 3.45Å; N408-G423 WeakPolarHBondContact O-CA 3.3Å; G423-T432 CarbonylContact O-C 3.54Å; G423-T432 WeakPolarHBondContact O-CA 3.19Å; G423-Y433 PolarHBondContact O-N 2.84Å; G423-E456 PolarHBondContact N-O 3.13Å
424H91.1Very high86.9Confident38 Ų3850.6 Ų50.618%0.17625%0.252CS..EExtended strand (participates in β ladder)trans-83.9138.9-179.1-68.1167.4000111.6Y377 V406 G407 C431 Y457Y377-H424 WeakPolarHBondContact OH-CB 3.46Å; Y377-H424 PolarHBondContact OH-ND1 3.34Å; V406-H424 WeakPolarHBondContact CA-O 3.41Å; G407-H424 PolarHBondContact N-O 3.36Å; G407-H424 PolarHBondContact O-N 2.79Å; H424-C431 WeakPolarHBondContact CA-O 3.46Å; H424-Y457 AromaticContact CD2-CD1 3.66Å; H424-Y457 AromaticContact CD2-CG 3.59Å; H424-Y457 AromaticContact CE1-CD2 3.81Å; H424-Y457 AromaticContact CE1-CE2 3.92Å; H424-Y457 AromaticContact CE1-CG 3.98Å; H424-Y457 AromaticContact NE2-CD1 3.15Å; H424-Y457 WeakPolarHBondContact NE2-CD1 3.17Å; H424-Y457 AromaticContact NE2-CD2 3.35Å; H424-Y457 VanDerWaalsContact NE2-CD2 3.35Å; H424-Y457 WeakPolarHBondContact NE2-CD2 3.24Å; H424-Y457 AromaticContact NE2-CE1 3.41Å; H424-Y457 WeakPolarHBondContact NE2-CE1 3.24Å; H424-Y457 AromaticContact NE2-CE2 3.58Å; H424-Y457 AromaticContact NE2-CG 3.1Å; H424-Y457 AromaticContact NE2-CZ 3.6Å
425Y86.8Confident86.9Confident72 Ų7253.9 Ų53.928%0.28227%0.266SS..EExtended strand (participates in β ladder)trans-135.6167.7167.382.1-75.7000111K404 G429 C431 T432 Y433K404-Y425 HydrophobicContact CD-CD2 4.07Å; K404-Y425 HydrophobicContact CG-CD2 4.27Å; K404-Y425 HydrophobicContact CG-CG 4.37Å; Y425-G429 CarbonylContact O-C 3.52Å; Y425-C431 HydrophobicContact CD1-CB 3.83Å; Y425-C431 VanDerWaalsContact CD1-O 3.28Å; Y425-C431 WeakPolarHBondContact CD1-O 3.3Å; Y425-C431 HydrophobicContact CE1-CB 3.3Å; Y425-C431 HydrophobicContact CE2-CB 4.4Å; Y425-C431 PolarHBondContact N-O 2.67Å; Y425-C431 PolarHBondContact O-N 3.29Å; Y425-T432 WeakPolarHBondContact CE1-O 3.38Å; Y425-Y433 HydrophobicContact CD1-CD2 4.05Å; Y425-Y433 HydrophobicContact CD1-CG 4.37Å; Y425-Y433 HydrophobicContact CE1-CD2 4.22Å; Y425-Y433 HydrophobicContact CG-CD2 4.29Å
426G74.6Confident87.2Confident36 Ų3649.3 Ų49.337%0.37124%0.244SC..SBendtrans85.6-179.3-179.500000113.9R428 G429G426-R428 PolarHBondContact O-N 2.88Å; G426-G429 PolarHBondContact O-N 2.87Å; G426-G429 VanDerWaalsContact O-N 3.08Å
427Y66.9Low87.6Confident186 Ų18643.9 Ų43.973%0.72922%0.219SC*.G310 helixtrans-63120.1-175.9-175.5-101.3000110.5G429 S430Y427-G429 PolarHBondContact O-N 2.75Å; Y427-S430 PolarHBondContact O-N 3.02Å
428R64.4Low87.6Confident200 Ų20046.3 Ų46.376%0.75523%0.227SC*.G310 helixtrans55.823.5-173.8-60.9-176.3177.8-141.70114.9G426G426-R428 PolarHBondContact O-N 2.88Å
429G63.2Low87.6Confident9 Ų946.5 Ų46.59%0.09323%0.227CC..G310 helixtrans7033.9176.400000114.5Y425 G426 Y427 C431Y425-G429 CarbonylContact O-C 3.52Å; G426-G429 PolarHBondContact O-N 2.87Å; G426-G429 VanDerWaalsContact O-N 3.08Å; Y427-G429 PolarHBondContact O-N 2.75Å; G429-C431 PolarHBondContact O-N 3.46Å; G429-C431 VanDerWaalsContact O-N 3.16Å
430S72.8Confident87.5Confident92 Ų9248.9 Ų48.964%0.64324%0.238SC*.  trans-66.8-11.6-175.961.40000115.3Y427Y427-S430 PolarHBondContact O-N 3.02Å
431C84.1Confident87.4Confident53 Ų5351.2 Ų51.236%0.35826%0.255SS..EExtended strand (participates in β ladder)trans-135.5147.3-174.7-58.20000111.2H424 Y425 G429H424-C431 WeakPolarHBondContact CA-O 3.46Å; Y425-C431 HydrophobicContact CD1-CB 3.83Å; Y425-C431 VanDerWaalsContact CD1-O 3.28Å; Y425-C431 WeakPolarHBondContact CD1-O 3.3Å; Y425-C431 HydrophobicContact CE1-CB 3.3Å; Y425-C431 HydrophobicContact CE2-CB 4.4Å; Y425-C431 PolarHBondContact N-O 2.67Å; Y425-C431 PolarHBondContact O-N 3.29Å; G429-C431 PolarHBondContact O-N 3.46Å; G429-C431 VanDerWaalsContact O-N 3.16Å
432T90.1Very high87.2Confident47 Ų4755 Ų5529%0.28829%0.294SS..EExtended strand (participates in β ladder)trans-91.8130.1173.2-49.10000110.1G423 Y425 P455 E456G423-T432 CarbonylContact O-C 3.54Å; G423-T432 WeakPolarHBondContact O-CA 3.19Å; Y425-T432 WeakPolarHBondContact CE1-O 3.38Å; T432-P455 HydrophobicContact CG2-CB 4.17Å; T432-P455 WeakPolarHBondContact CG2-O 3.46Å; T432-E456 VanDerWaalsContact CG2-C 3.46Å; T432-E456 WeakPolarHBondContact CG2-O 3.47Å
433Y92.9Very high87.3Confident11 Ų1157.9 Ų57.94%0.04332%0.315CS..  trans-78.6124.7-179.1-169.1-115.2000110.4K404 V406 G422 G423 Y425 K435 Q437K404-Y433 HydrophobicContact CB-CD2 4.17Å; K404-Y433 HydrophobicContact CB-CE1 4.15Å; K404-Y433 HydrophobicContact CB-CE2 3.62Å; K404-Y433 HydrophobicContact CG-CD2 3.8Å; K404-Y433 HydrophobicContact CG-CE2 3.63Å; K404-Y433 HydrophobicContact CG-CG 4.44Å; V406-Y433 HydrophobicContact CG1-CD1 3.94Å; V406-Y433 HydrophobicContact CG1-CG 3.96Å; G422-Y433 VanDerWaalsContact CA-O 3.25Å; G422-Y433 WeakPolarHBondContact CA-O 3.33Å; G423-Y433 PolarHBondContact O-N 2.84Å; Y425-Y433 HydrophobicContact CD1-CD2 4.05Å; Y425-Y433 HydrophobicContact CD1-CG 4.37Å; Y425-Y433 HydrophobicContact CE1-CD2 4.22Å; Y425-Y433 HydrophobicContact CG-CD2 4.29Å; Y433-K435 VanDerWaalsContact CD1-O 3.27Å; Y433-K435 WeakPolarHBondContact CD1-O 3.36Å; Y433-K435 HydrophobicContact CE1-CB 3.77Å; Y433-K435 WeakPolarHBondContact CE1-O 3.44Å; Y433-K435 HydrophobicContact CE2-CB 4.41Å; Y433-Q437 HydrophobicContact CE1-CG 3.64Å
434D92.8Very high87.6Confident56 Ų5661.2 Ų61.230%0.29933%0.332SS..  trans-98.1-9.7-170.463.9-20.1000114.4T451 S452 P455D434-T451 HydrophobicContact CB-CG2 4.05Å; D434-T451 CarbonylContact O-C 3.36Å; D434-T451 WeakPolarHBondContact O-CA 3.46Å; D434-T451 WeakPolarHBondContact O-CG2 3.5Å; D434-S452 PolarHBondContact O-N 3.28Å; D434-P455 HydrophobicContact CB-CB 3.73Å; D434-P455 HydrophobicContact CB-CG 3.98Å
435K95.2Very high87.9Confident81 Ų8165.3 Ų65.335%0.35235%0.352SS..EExtended strand (participates in β ladder)trans-97.8149.8-177-52.6-176.9-176.2179.30112.1Y433 I448 A450Y433-K435 VanDerWaalsContact CD1-O 3.27Å; Y433-K435 WeakPolarHBondContact CD1-O 3.36Å; Y433-K435 HydrophobicContact CE1-CB 3.77Å; Y433-K435 WeakPolarHBondContact CE1-O 3.44Å; Y433-K435 HydrophobicContact CE2-CB 4.41Å; K435-I448 HydrophobicContact CB-CG2 4.02Å; K435-I448 HydrophobicContact CD-CD1 3.86Å; K435-I448 HydrophobicContact CD-CG2 4.12Å; K435-I448 HydrophobicContact CG-CG2 4.49Å; K435-A450 WeakPolarHBondContact CA-O 3.38Å
436I96.3Very high88.5Confident0 Ų063.2 Ų63.20%034%0.343CS..EExtended strand (participates in β ladder)trans-91.6118.4170.7-54.4-167.7000108.7Y419 T421 I448 V449 A450 F470 Y481 W488Y419-I436 HydrophobicContact CD1-CG2 3.83Å; T421-I436 HydrophobicContact CG2-CD1 4.35Å; T421-I436 HydrophobicContact CG2-CG1 3.82Å; T421-I436 WeakPolarHBondContact OG1-CG1 3.35Å; I436-I448 WeakPolarHBondContact O-CA 3.34Å; I436-V449 HydrophobicContact CB-CG1 3.76Å; I436-V449 HydrophobicContact CG2-CG1 3.59Å; I436-V449 PolarHBondContact O-N 2.76Å; I436-A450 HydrophobicContact CD1-CB 4.45Å; I436-A450 PolarHBondContact N-O 2.81Å; I436-F470 HydrophobicContact CD1-CE2 4.29Å; I436-F470 HydrophobicContact CD1-CZ 3.84Å; I436-Y481 HydrophobicContact CD1-CD1 4.07Å; I436-Y481 HydrophobicContact CD1-CE1 4.26Å; I436-Y481 HydrophobicContact CD1-CG 4.49Å; I436-W488 HydrophobicContact CD1-CH2 3.79Å; I436-W488 HydrophobicContact CD1-CZ2 3.52Å; I436-W488 HydrophobicContact CG1-CZ2 4.44Å
437Q97.3Very high89.6Confident0 Ų063.2 Ų63.20%034%0.337CS..EExtended strand (participates in β ladder)trans-95.2129.9172.4-43.2-17673.200108.1I403 K404 Y419 V420 Y433 W446I403-Q437 VanDerWaalsContact CB-OE1 3.29Å; K404-Q437 PolarHBondContact O-NE2 3.23Å; Y419-Q437 CarbonylContact C-O 3.47Å; Y419-Q437 WeakPolarHBondContact CA-O 3.13Å; V420-Q437 PolarHBondContact N-O 3.35Å; V420-Q437 PolarHBondContact O-N 3.42Å; Y433-Q437 HydrophobicContact CE1-CG 3.64Å; Q437-W446 HydrophobicContact CB-CE3 3.87Å; Q437-W446 HydrophobicContact CB-CZ3 4.11Å
438R97.2Very high91Very high77 Ų7758 Ų5829%0.29132%0.321SS..EExtended strand (participates in β ladder)trans-115.1143.7173.872.5173.2-178.3-166.6-1111.1I417 I418 Y419 H440 W446 S447 V449I417-R438 HydrophobicContact CG2-CB 3.81Å; I417-R438 HydrophobicContact CG2-CG 4.45Å; I418-R438 CarbonylContact O-C 3.53Å; I418-R438 WeakPolarHBondContact O-CA 3.48Å; Y419-R438 HydrophobicContact CD1-CB 3.93Å; Y419-R438 HydrophobicContact CE1-CB 3.96Å; R438-H440 PolarHBondContact NE-NE2 2.64Å; R438-W446 CarbonylContact O-C 3.58Å; R438-W446 VanDerWaalsContact O-CA 3.32Å; R438-W446 WeakPolarHBondContact O-CA 3.38Å; R438-S447 WeakPolarHBondContact CG-OG 3.01Å; R438-S447 PolarHBondContact N-O 2.79Å; R438-S447 PolarHBondContact NE-OG 2.78Å; R438-S447 PolarHBondContact O-N 2.86Å; R438-V449 HydrophobicContact CG-CB 4.49Å
439Y98.4Very high92.4Very high4 Ų450 Ų502%0.01629%0.294CS..EExtended strand (participates in β ladder)trans-118.1130.3179172.6-103.5000111.5Y372 I399 I417 I418 N444 E445 W446Y372-Y439 AromaticContact CE1-CE1 3.85Å; Y372-Y439 HydrophobicContact CE1-CE1 3.85Å; I399-Y439 HydrophobicContact CB-CE2 4.4Å; I399-Y439 HydrophobicContact CD1-CD1 4.41Å; I399-Y439 HydrophobicContact CD1-CD2 4.35Å; I399-Y439 HydrophobicContact CD1-CE1 3.95Å; I399-Y439 HydrophobicContact CD1-CE2 3.88Å; I399-Y439 WeakPolarHBondContact CG2-OH 3.16Å; I417-Y439 WeakPolarHBondContact CG2-O 3.38Å; I418-Y439 HydrophobicContact CB-CD1 4.47Å; I418-Y439 HydrophobicContact CD1-CD1 4.07Å; I418-Y439 PolarHBondContact N-O 3.17Å; I418-Y439 PolarHBondContact O-N 2.86Å; Y439-N444 WeakPolarHBondContact CE2-OD1 3.25Å; Y439-N444 PolarHBondContact OH-OD1 3.23Å; Y439-E445 WeakPolarHBondContact CA-O 3.33Å; Y439-E445 WeakPolarHBondContact CD2-O 3.42Å; Y439-W446 AromaticContact CD2-CD1 3.81Å; Y439-W446 AromaticContact CD2-CD2 3.99Å; Y439-W446 HydrophobicContact CD2-CD2 3.99Å; Y439-W446 AromaticContact CD2-CE2 3.55Å; Y439-W446 HydrophobicContact CD2-CG 4.13Å; Y439-W446 AromaticContact CD2-CZ2 3.99Å; Y439-W446 HydrophobicContact CD2-CZ2 3.99Å; Y439-W446 AromaticContact CD2-NE1 3.44Å; Y439-W446 HydrophobicContact CG-CD2 4.28Å; Y439-W446 AromaticContact CG-CE2 3.87Å; Y439-W446 HydrophobicContact CG-CH2 4.34Å; Y439-W446 AromaticContact CG-CZ2 3.9Å; Y439-W446 HydrophobicContact CG-CZ2 3.9Å
440H96.6Very high93.9Very high58 Ų5850.1 Ų50.127%0.26930%0.295SS..EExtended strand (participates in β ladder)trans-101.1111.9174.7-71.5-83000109.7I417 R438 G442 S443 N444 E445I417-H440 VanDerWaalsContact CD1-CE1 3.46Å; I417-H440 WeakPolarHBondContact CD1-CE1 3.39Å; R438-H440 PolarHBondContact NE-NE2 2.64Å; H440-G442 VanDerWaalsContact C-N 3.27Å; H440-G442 PolarHBondContact O-N 3.03Å; H440-S443 WeakPolarHBondContact CB-OG 3.48Å; H440-S443 PolarHBondContact O-N 2.72Å; H440-N444 WeakPolarHBondContact O-CA 3.37Å; H440-N444 PolarHBondContact O-N 3.46Å; H440-E445 PolarHBondContact N-O 2.92Å; H440-E445 PolarHBondContact O-N 3.42Å
441S94.4Very high95Very high50 Ų5049.2 Ų49.235%0.3529%0.285SS..THydrogen-bonded Turntrans-64.8-30.4-178.861.80000113.3
442G92.3Very high95.4Very high83 Ų8347.1 Ų47.186%0.85627%0.272SS*.THydrogen-bonded Turntrans-70.7-38.118000000114.5H440H440-G442 VanDerWaalsContact C-N 3.27Å; H440-G442 PolarHBondContact O-N 3.03Å
443S95.3Very high95.5Very high62 Ų6248 Ų4843%0.43428%0.278SS..THydrogen-bonded Turntrans-96.8-12.9176.559.70000113.5H440H440-S443 WeakPolarHBondContact CB-OG 3.48Å; H440-S443 PolarHBondContact O-N 2.72Å
444N97.1Very high95.3Very high70 Ų7050.9 Ų50.937%0.37429%0.292SS..THydrogen-bonded Turntrans55.950.3-171.7-175.234.9000111.7I399 A400 Y439 H440I399-N444 WeakPolarHBondContact CB-OD1 3.48Å; A400-N444 WeakPolarHBondContact CB-O 3.49Å; A400-N444 WeakPolarHBondContact CB-OD1 3.46Å; A400-N444 PolarHBondContact N-OD1 3.33Å; Y439-N444 WeakPolarHBondContact CE2-OD1 3.25Å; Y439-N444 PolarHBondContact OH-OD1 3.23Å; H440-N444 WeakPolarHBondContact O-CA 3.37Å; H440-N444 PolarHBondContact O-N 3.46Å
445E97.6Very high95Very high125 Ų12550.4 Ų50.458%0.58429%0.292SS*.EExtended strand (participates in β ladder)trans-133.5147.2-176.6-69.1177.3165.100112.2Y439 H440Y439-E445 WeakPolarHBondContact CA-O 3.33Å; Y439-E445 WeakPolarHBondContact CD2-O 3.42Å; H440-E445 PolarHBondContact N-O 2.92Å; H440-E445 PolarHBondContact O-N 3.42Å
446W98.4Very high94.7Very high28 Ų2848 Ų4811%0.10628%0.282CS..EExtended strand (participates in β ladder)trans-104.4142.4173.1-68.988.4000111.1L374 A386 I399 A400 M402 I403 I418 V420 Q437 R438 Y439L374-W446 HydrophobicContact CD1-CH2 4.49Å; L374-W446 HydrophobicContact CD2-CH2 4.33Å; L374-W446 HydrophobicContact CD2-CZ2 4.23Å; A386-W446 HydrophobicContact CB-CZ2 4.45Å; I399-W446 HydrophobicContact CD1-CZ2 4.4Å; A400-W446 PolarHBondContact O-NE1 3Å; M402-W446 HydrophobicContact CB-CD2 4.41Å; M402-W446 HydrophobicContact CG-CD2 4.12Å; M402-W446 HydrophobicContact CG-CE3 4.33Å; M402-W446 HydrophobicContact CG-CH2 3.75Å; M402-W446 HydrophobicContact CG-CZ2 3.49Å; M402-W446 VanDerWaalsContact CG-CZ2 3.49Å; M402-W446 HydrophobicContact CG-CZ3 4.16Å; M402-W446 HydrophobicContact SD-CH2 4.08Å; M402-W446 HydrophobicContact SD-CZ2 4.32Å; I403-W446 HydrophobicContact CD1-CB 4.1Å; I403-W446 HydrophobicContact CG1-CB 3.84Å; I418-W446 HydrophobicContact CG2-CH2 4.32Å; V420-W446 HydrophobicContact CB-CZ3 4.34Å; V420-W446 HydrophobicContact CG2-CH2 3.77Å; V420-W446 HydrophobicContact CG2-CZ3 3.78Å; Q437-W446 HydrophobicContact CB-CE3 3.87Å; Q437-W446 HydrophobicContact CB-CZ3 4.11Å; R438-W446 CarbonylContact O-C 3.58Å; R438-W446 VanDerWaalsContact O-CA 3.32Å; R438-W446 WeakPolarHBondContact O-CA 3.38Å; Y439-W446 AromaticContact CD2-CD1 3.81Å; Y439-W446 AromaticContact CD2-CD2 3.99Å; Y439-W446 HydrophobicContact CD2-CD2 3.99Å; Y439-W446 AromaticContact CD2-CE2 3.55Å; Y439-W446 HydrophobicContact CD2-CG 4.13Å; Y439-W446 AromaticContact CD2-CZ2 3.99Å; Y439-W446 HydrophobicContact CD2-CZ2 3.99Å; Y439-W446 AromaticContact CD2-NE1 3.44Å; Y439-W446 HydrophobicContact CG-CD2 4.28Å; Y439-W446 AromaticContact CG-CE2 3.87Å; Y439-W446 HydrophobicContact CG-CH2 4.34Å; Y439-W446 AromaticContact CG-CZ2 3.9Å; Y439-W446 HydrophobicContact CG-CZ2 3.9Å
447S97.5Very high94.3Very high35 Ų3549.9 Ų49.925%0.24529%0.289CS..EExtended strand (participates in β ladder)trans-140.3155.7172.568.90000111.1R438R438-S447 WeakPolarHBondContact CG-OG 3.01Å; R438-S447 PolarHBondContact N-O 2.79Å; R438-S447 PolarHBondContact NE-OG 2.78Å; R438-S447 PolarHBondContact O-N 2.86Å
448I97.1Very high93.8Very high76 Ų7650 Ų5039%0.3929%0.291SS..EExtended strand (participates in β ladder)trans-89.9134.5171.4-63.8166000108.8I403 K435 I436I403-I448 HydrophobicContact CD1-CD1 4.33Å; I403-I448 HydrophobicContact CD1-CG1 3.72Å; I403-I448 HydrophobicContact CG2-CD1 4.19Å; K435-I448 HydrophobicContact CB-CG2 4.02Å; K435-I448 HydrophobicContact CD-CD1 3.86Å; K435-I448 HydrophobicContact CD-CG2 4.12Å; K435-I448 HydrophobicContact CG-CG2 4.49Å; I436-I448 WeakPolarHBondContact O-CA 3.34Å
449V94.9Very high93.6Very high32 Ų3247.2 Ų47.219%0.19428%0.281CS..EExtended strand (participates in β ladder)trans-110.8-41.9-17869.30000113.7Y419 I436 R438 Y481Y419-V449 HydrophobicContact CD1-CG1 4.39Å; Y419-V449 HydrophobicContact CE1-CG1 4.25Å; I436-V449 HydrophobicContact CB-CG1 3.76Å; I436-V449 HydrophobicContact CG2-CG1 3.59Å; I436-V449 PolarHBondContact O-N 2.76Å; R438-V449 HydrophobicContact CG-CB 4.49Å; V449-Y481 HydrophobicContact CG1-CE1 4.34Å; V449-Y481 WeakPolarHBondContact CG2-OH 2.98Å
450A94Very high93.4Very high12 Ų1247.9 Ų47.910%0.09929%0.286CS..EExtended strand (participates in β ladder)trans-154.3170-176.900000111.1K435 I436 Y481K435-A450 WeakPolarHBondContact CA-O 3.38Å; I436-A450 HydrophobicContact CD1-CB 4.45Å; I436-A450 PolarHBondContact N-O 2.81Å; A450-Y481 HydrophobicContact CB-CE2 3.82Å
451T94.8Very high93.4Very high73 Ų7345.6 Ų45.645%0.44828%0.277SS..EExtended strand (participates in β ladder)trans-108.6132.3169.1-56.40000108.4D434 W488D434-T451 HydrophobicContact CB-CG2 4.05Å; D434-T451 CarbonylContact O-C 3.36Å; D434-T451 WeakPolarHBondContact O-CA 3.46Å; D434-T451 WeakPolarHBondContact O-CG2 3.5Å; T451-W488 PolarHBondContact O-NE1 2.96Å
452S92.7Very high93.5Very high10 Ų1044.3 Ų44.37%0.0727%0.266CS..  trans-68.7131.3173.7-177.30000110D434 H454D434-S452 PolarHBondContact O-N 3.28Å; S452-H454 PolarHBondContact O-N 3.19Å; S452-H454 PolarHBondContact OG-N 3.31Å; S452-H454 PolarHBondContact OG-O 3.03Å
453P92.4Very high93.6Very high66 Ų6642.4 Ų42.443%0.42924%0.238SC..SBendtrans-66.2-29.4174.527.3-33.5000112.1W488P453-W488 HydrophobicContact CG-CD2 4.01Å; P453-W488 HydrophobicContact CG-CE3 3.88Å; P453-W488 HydrophobicContact CG-CG 4.35Å; P453-W488 HydrophobicContact CG-CZ3 4.32Å
454H89.9Confident93.5Very high70 Ų7040.2 Ų40.232%0.32422%0.221SC..SBendtrans-127.882.9-179.8-53.2103000109.3S452 E456 D479S452-H454 PolarHBondContact O-N 3.19Å; S452-H454 PolarHBondContact OG-N 3.31Å; S452-H454 PolarHBondContact OG-O 3.03Å; H454-E456 PolarHBondContact O-N 3.21Å; H454-D479 IonicContact CE1-OD2 3.81Å; H454-D479 IonicContact CG-OD2 3.51Å; H454-D479 IonicContact ND1-OD1 2.66Å; H454-D479 IonicContact ND1-OD2 3.06Å; H454-D479 PolarHBondContact ND1-OD2 3.11Å
455P86.3Confident93Very high47 Ų4740.5 Ų40.531%0.30522%0.22SC..  trans-75.9122.7-178.232.2-36.1000111.3T432 D434T432-P455 HydrophobicContact CG2-CB 4.17Å; T432-P455 WeakPolarHBondContact CG2-O 3.46Å; D434-P455 HydrophobicContact CB-CB 3.73Å; D434-P455 HydrophobicContact CB-CG 3.98Å
456E88.1Confident92.6Very high30 Ų3037.7 Ų37.714%0.1421%0.209CC..  trans-132.2170.5-174.3-70.5-67.716800111.6G422 G423 T432 H454 L459 Q474 T475G422-E456 CarbonylContact C-O 3.57Å; G422-E456 VanDerWaalsContact CA-O 3.25Å; G422-E456 WeakPolarHBondContact CA-O 3.17Å; G423-E456 PolarHBondContact N-O 3.13Å; T432-E456 VanDerWaalsContact CG2-C 3.46Å; T432-E456 WeakPolarHBondContact CG2-O 3.47Å; H454-E456 PolarHBondContact O-N 3.21Å; E456-L459 VanDerWaalsContact C-CD2 3.43Å; E456-L459 HydrophobicContact CB-CB 4.4Å; E456-L459 HydrophobicContact CB-CD2 3.97Å; E456-L459 WeakPolarHBondContact O-CD2 3.34Å; E456-Q474 WeakPolarHBondContact OE2-CB 3.43Å; E456-Q474 WeakPolarHBondContact OE2-CG 3.22Å; E456-Q474 PolarHBondContact OE2-N 3.44Å; E456-T475 WeakPolarHBondContact OE1-CG2 3.45Å
457Y87.6Confident92.5Very high40 Ų4039.8 Ų39.816%0.15722%0.219CC..SBendtrans-124.4156.3168.465.9-90.2000109.7H424 L459 Q474 M499H424-Y457 AromaticContact CD2-CD1 3.66Å; H424-Y457 AromaticContact CD2-CG 3.59Å; H424-Y457 AromaticContact CE1-CD2 3.81Å; H424-Y457 AromaticContact CE1-CE2 3.92Å; H424-Y457 AromaticContact CE1-CG 3.98Å; H424-Y457 AromaticContact NE2-CD1 3.15Å; H424-Y457 WeakPolarHBondContact NE2-CD1 3.17Å; H424-Y457 AromaticContact NE2-CD2 3.35Å; H424-Y457 VanDerWaalsContact NE2-CD2 3.35Å; H424-Y457 WeakPolarHBondContact NE2-CD2 3.24Å; H424-Y457 AromaticContact NE2-CE1 3.41Å; H424-Y457 WeakPolarHBondContact NE2-CE1 3.24Å; H424-Y457 AromaticContact NE2-CE2 3.58Å; H424-Y457 AromaticContact NE2-CG 3.1Å; H424-Y457 AromaticContact NE2-CZ 3.6Å; Y457-L459 PolarHBondContact O-N 3.23Å; Y457-Q474 PolarHBondContact OH-NE2 3.02Å; Y457-M499 HydrophobicContact CD2-CE 4.36Å; Y457-M499 HydrophobicContact CD2-SD 4.21Å; Y457-M499 HydrophobicContact CE2-CE 3.58Å; Y457-M499 HydrophobicContact CE2-SD 3.62Å
458G87.4Confident92.5Very high3 Ų338.1 Ų38.13%0.03121%0.208CC..SBendtrans60.924.1-173.300000113.2N408 E500N408-G458 PolarHBondContact O-N 3.2Å; N408-G458 VanDerWaalsContact O-N 3.09Å; G458-E500 PolarHBondContact O-N 2.68Å
459L92.3Very high92.5Very high17 Ų1734.9 Ų34.99%0.08919%0.191CC..EExtended strand (participates in β ladder)trans-84.5169.2168.273.3144.1000110.4T410 E456 Y457 F470T410-L459 WeakPolarHBondContact CB-O 3.45Å; T410-L459 HydrophobicContact CG2-CD1 3.63Å; T410-L459 HydrophobicContact CG2-CD2 4.12Å; T410-L459 HydrophobicContact CG2-CG 3.62Å; E456-L459 VanDerWaalsContact C-CD2 3.43Å; E456-L459 HydrophobicContact CB-CB 4.4Å; E456-L459 HydrophobicContact CB-CD2 3.97Å; E456-L459 WeakPolarHBondContact O-CD2 3.34Å; Y457-L459 PolarHBondContact O-N 3.23Å; L459-F470 HydrophobicContact CD1-CB 4.02Å; L459-F470 HydrophobicContact CD1-CD1 3.59Å; L459-F470 HydrophobicContact CD1-CG 4.25Å
460C95.3Very high92.6Very high18 Ų1833.9 Ų33.912%0.12218%0.183CC..EExtended strand (participates in β ladder)trans-116.9137.1167.5-57.40000110.5F470 V471 C501 A503C460-F470 WeakPolarHBondContact O-CA 3.31Å; C460-V471 HydrophobicContact CB-CG2 4.02Å; C460-V471 PolarHBondContact N-O 3.46Å; C460-V471 PolarHBondContact O-N 2.84Å; C460-C501 PolarHBondContact SG-O 3.15Å; C460-C501 VanDerWaalsContact SG-SG 3.62Å; C460-A503 HydrophobicContact CB-CB 3.55Å
461S96.3Very high92.6Very high11 Ų1133.3 Ų33.38%0.07718%0.179CC..EExtended strand (participates in β ladder)trans-106.6131.2168.256.30000108.9T410 A411 Y469T410-S461 WeakPolarHBondContact CG2-OG 3.48Å; T410-S461 WeakPolarHBondContact OG1-CB 3.41Å; T410-S461 PolarHBondContact OG1-N 3.47Å; T410-S461 PolarHBondContact OG1-OG 3.29Å; A411-S461 PolarHBondContact N-OG 2.87Å; A411-S461 PolarHBondContact O-OG 3.32Å; S461-Y469 CarbonylContact C-O 3.58Å; S461-Y469 VanDerWaalsContact CA-O 3.26Å; S461-Y469 WeakPolarHBondContact CA-O 3.38Å
462I95.9Very high92.5Very high23 Ų2330 Ų3012%0.11816%0.16CC..EExtended strand (participates in β ladder)trans-143.4150.5178.3-164.6152.6000112.2Y469 V505 I510I462-Y469 PolarHBondContact N-O 2.98Å; I462-Y469 PolarHBondContact O-N 2.82Å; I462-V505 HydrophobicContact CD1-CB 4.26Å; I462-V505 HydrophobicContact CD1-CG2 3.75Å; I462-V505 VanDerWaalsContact CD1-N 3.28Å; I462-V505 HydrophobicContact CG1-CG2 3.73Å; I462-V505 HydrophobicContact CG2-CG2 4.43Å; I462-I510 HydrophobicContact CG2-CD1 3.9Å; I462-I510 HydrophobicContact CG2-CG1 4.08Å; I462-I510 HydrophobicContact CG2-CG2 3.97Å
463T95.1Very high92.4Very high42 Ų4229.6 Ų29.626%0.25816%0.156SC..EExtended strand (participates in β ladder)trans-101.3131.3-175.9490000112.1C412 V413 L414 K467 I468C412-T463 HydrophobicContact CB-CG2 4.15Å; V413-T463 VanDerWaalsContact O-CG2 3.28Å; V413-T463 WeakPolarHBondContact O-CG2 3.13Å; V413-T463 PolarHBondContact O-OG1 3Å; L414-T463 HydrophobicContact CB-CG2 3.82Å; L414-T463 HydrophobicContact CD1-CG2 3.99Å; L414-T463 HydrophobicContact CG-CG2 4.43Å; T463-K467 VanDerWaalsContact CA-O 3.28Å; T463-K467 WeakPolarHBondContact CA-O 3.35Å; T463-I468 HydrophobicContact CG2-CG1 4.13Å
464L92.1Very high92.1Very high17 Ų1730.1 Ų30.19%0.08915%0.153CC..EExtended strand (participates in β ladder)trans-151.8135.3177.4177.960.8000108.8N466 K467 Y469 V505 I510 P532L464-N466 VanDerWaalsContact C-N 3.33Å; L464-N466 PolarHBondContact O-N 3.08Å; L464-K467 PolarHBondContact N-O 3.33Å; L464-K467 PolarHBondContact O-N 3.22Å; L464-Y469 HydrophobicContact CB-CD2 4.05Å; L464-Y469 HydrophobicContact CB-CE2 3.89Å; L464-Y469 HydrophobicContact CG-CE2 4.47Å; L464-V505 HydrophobicContact CB-CG2 4.13Å; L464-V505 HydrophobicContact CD1-CG1 3.9Å; L464-I510 HydrophobicContact CD2-CD1 4.15Å; L464-I510 HydrophobicContact CD2-CG1 3.76Å; L464-P532 HydrophobicContact CD2-CB 4.38Å; L464-P532 HydrophobicContact CD2-CG 3.97Å
465Q87.4Confident92.1Very high75 Ų7528.5 Ų28.535%0.3515%0.148SC..THydrogen-bonded Turntrans5147.5177.2-64.3176-20.800113.3K467 E533Q465-K467 PolarHBondContact O-N 3.05Å; Q465-E533 PolarHBondContact NE2-OE1 3.02Å; Q465-E533 VanDerWaalsContact NE2-OE1 3.09Å
466N89.9Confident92.4Very high66 Ų6628.4 Ų28.435%0.35315%0.147SC..THydrogen-bonded Turntrans59.918.3-177-68.8-12.8000116.1H415 L464H415-N466 VanDerWaalsContact NE2-CG 3.3Å; H415-N466 PolarHBondContact NE2-OD1 3.06Å; L464-N466 VanDerWaalsContact C-N 3.33Å; L464-N466 PolarHBondContact O-N 3.08Å
467K95.1Very high92.8Very high73 Ų7328.4 Ų28.432%0.31715%0.148SC..EExtended strand (participates in β ladder)trans-126.2160.8180-62.4-176.7-173.6-153.70111.3T463 L464 Q465 Y469 D482T463-K467 VanDerWaalsContact CA-O 3.28Å; T463-K467 WeakPolarHBondContact CA-O 3.35Å; L464-K467 PolarHBondContact N-O 3.33Å; L464-K467 PolarHBondContact O-N 3.22Å; Q465-K467 PolarHBondContact O-N 3.05Å; K467-Y469 HydrophobicContact CB-CE2 4.06Å; K467-D482 HydrophobicContact CD-CB 4.42Å; K467-D482 WeakPolarHBondContact CE-OD2 3.37Å; K467-D482 HydrophobicContact CG-CB 4.47Å; K467-D482 IonicContact NZ-OD2 2.72Å; K467-D482 PolarHBondContact NZ-OD2 3.4Å
468I97.5Very high93.2Very high0 Ų026.5 Ų26.50%014%0.14CC..EExtended strand (participates in β ladder)trans-105123.7176.8-53178.4000108.4C412 L414 Y419 T463 F470 C480 Y481 P483C412-I468 VanDerWaalsContact SG-CG2 3.56Å; L414-I468 HydrophobicContact CD2-CG1 4.13Å; Y419-I468 HydrophobicContact CD1-CD1 3.77Å; Y419-I468 HydrophobicContact CD2-CD1 3.73Å; Y419-I468 HydrophobicContact CE1-CD1 4.1Å; Y419-I468 HydrophobicContact CE2-CD1 4.1Å; Y419-I468 HydrophobicContact CG-CD1 3.56Å; T463-I468 HydrophobicContact CG2-CG1 4.13Å; I468-F470 HydrophobicContact CB-CE2 4.21Å; I468-F470 HydrophobicContact CB-CZ 4.38Å; I468-F470 HydrophobicContact CG2-CD2 4.35Å; I468-F470 HydrophobicContact CG2-CE1 4.05Å; I468-F470 HydrophobicContact CG2-CE2 3.68Å; I468-F470 HydrophobicContact CG2-CZ 3.51Å; I468-C480 CarbonylContact O-C 3.58Å; I468-C480 WeakPolarHBondContact O-CA 3.41Å; I468-Y481 HydrophobicContact CD1-CD1 4.33Å; I468-Y481 PolarHBondContact N-O 2.66Å; I468-Y481 PolarHBondContact O-N 3.38Å; I468-P483 HydrophobicContact CD1-CG 3.95Å; I468-P483 HydrophobicContact CG1-CG 4.17Å
469Y97.3Very high93.6Very high8 Ų826.8 Ų26.83%0.03114%0.141CC..EExtended strand (participates in β ladder)trans-104.1134.3175-70.7-100.8000109.7S461 I462 L464 K467 T478 D479 C480 M491 I510 Y530S461-Y469 CarbonylContact C-O 3.58Å; S461-Y469 VanDerWaalsContact CA-O 3.26Å; S461-Y469 WeakPolarHBondContact CA-O 3.38Å; I462-Y469 PolarHBondContact N-O 2.98Å; I462-Y469 PolarHBondContact O-N 2.82Å; L464-Y469 HydrophobicContact CB-CD2 4.05Å; L464-Y469 HydrophobicContact CB-CE2 3.89Å; L464-Y469 HydrophobicContact CG-CE2 4.47Å; K467-Y469 HydrophobicContact CB-CE2 4.06Å; Y469-T478 HydrophobicContact CD1-CG2 4.34Å; Y469-D479 CarbonylContact C-O 3.56Å; Y469-D479 WeakPolarHBondContact CA-O 3.47Å; Y469-C480 HydrophobicContact CD1-CB 4.04Å; Y469-C480 HydrophobicContact CE1-CB 3.86Å; Y469-M491 HydrophobicContact CE1-CG 4.13Å; Y469-I510 HydrophobicContact CD1-CD1 3.78Å; Y469-I510 HydrophobicContact CD2-CD1 3.87Å; Y469-I510 HydrophobicContact CE1-CD1 4.44Å; Y469-I510 HydrophobicContact CG-CD1 3.45Å; Y469-I510 VanDerWaalsContact CG-CD1 3.45Å; Y469-Y530 HydrophobicContact CD1-CE1 4.35Å; Y469-Y530 AromaticContact CE1-CE1 3.82Å; Y469-Y530 HydrophobicContact CE1-CE1 3.82Å
470F96.3Very high93.8Very high10 Ų1026.3 Ų26.34%0.04414%0.139CC..EExtended strand (participates in β ladder)trans-111.1120.6174.8-59.9-84.4000108.7T410 T421 I436 L459 C460 I468 T478 D479 W488T410-F470 HydrophobicContact CG2-CD1 4.44Å; T410-F470 HydrophobicContact CG2-CE1 4.49Å; T421-F470 HydrophobicContact CG2-CD1 4.45Å; T421-F470 HydrophobicContact CG2-CE1 3.81Å; T421-F470 HydrophobicContact CG2-CZ 4.27Å; I436-F470 HydrophobicContact CD1-CE2 4.29Å; I436-F470 HydrophobicContact CD1-CZ 3.84Å; L459-F470 HydrophobicContact CD1-CB 4.02Å; L459-F470 HydrophobicContact CD1-CD1 3.59Å; L459-F470 HydrophobicContact CD1-CG 4.25Å; C460-F470 WeakPolarHBondContact O-CA 3.31Å; I468-F470 HydrophobicContact CB-CE2 4.21Å; I468-F470 HydrophobicContact CB-CZ 4.38Å; I468-F470 HydrophobicContact CG2-CD2 4.35Å; I468-F470 HydrophobicContact CG2-CE1 4.05Å; I468-F470 HydrophobicContact CG2-CE2 3.68Å; I468-F470 HydrophobicContact CG2-CZ 3.51Å; F470-T478 WeakPolarHBondContact O-CA 3.41Å; F470-D479 HydrophobicContact CB-CB 4.46Å; F470-D479 PolarHBondContact N-O 3.09Å; F470-D479 PolarHBondContact O-N 3.09Å; F470-D479 VanDerWaalsContact O-N 3.15Å; F470-W488 AromaticContact CD2-CH2 3.77Å; F470-W488 HydrophobicContact CD2-CH2 3.77Å; F470-W488 AromaticContact CD2-CZ3 3.53Å; F470-W488 HydrophobicContact CD2-CZ3 3.53Å; F470-W488 AromaticContact CE2-CH2 3.42Å; F470-W488 HydrophobicContact CE2-CH2 3.42Å; F470-W488 VanDerWaalsContact CE2-CH2 3.42Å; F470-W488 HydrophobicContact CE2-CZ2 4.49Å; F470-W488 AromaticContact CE2-CZ3 3.61Å; F470-W488 HydrophobicContact CE2-CZ3 3.61Å; F470-W488 HydrophobicContact CZ-CH2 4.13Å
471V95.6Very high93.9Very high1 Ų125.5 Ų25.51%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-135.3151.3-173.8-64.60000110.7C460 T478 M494 A503 V512 W537C460-V471 HydrophobicContact CB-CG2 4.02Å; C460-V471 PolarHBondContact N-O 3.46Å; C460-V471 PolarHBondContact O-N 2.84Å; V471-T478 HydrophobicContact CG1-CG2 3.78Å; V471-M494 HydrophobicContact CB-SD 4.09Å; V471-A503 HydrophobicContact CG2-CB 4.11Å; V471-V512 HydrophobicContact CB-CG2 4.19Å; V471-V512 HydrophobicContact CG2-CG2 3.74Å; V471-W537 HydrophobicContact CB-CH2 4.49Å; V471-W537 HydrophobicContact CG1-CH2 3.94Å; V471-W537 HydrophobicContact CG1-CZ2 3.79Å
472G92Very high93.9Very high4 Ų426 Ų264%0.04114%0.135CC..EExtended strand (participates in β ladder)trans79.9-156.6-178.500000113.6M494 R498G472-M494 PolarHBondContact N-SD 3.36Å; G472-M494 VanDerWaalsContact N-SD 3.42Å; G472-R498 CarbonylContact C-O 3.59Å; G472-R498 VanDerWaalsContact CA-O 3.27Å; G472-R498 WeakPolarHBondContact CA-O 2.97Å
473G90Very high93.8Very high0 Ų026 Ų260%014%0.136CC..THydrogen-bonded Turntrans82.7-153-170.100000112.3T475 R498 M499G473-T475 VanDerWaalsContact C-N 3.28Å; G473-T475 PolarHBondContact O-N 3.11Å; G473-R498 PolarHBondContact N-O 2.98Å; G473-R498 CarbonylContact O-C 3.52Å; G473-R498 PolarHBondContact O-N 3.25Å; G473-M499 WeakPolarHBondContact O-CG 3.07Å
474Q87.2Confident93.7Very high78 Ų7830.5 Ų30.536%0.36416%0.155SC..THydrogen-bonded Turntrans-81-6-175.8-62-168.9-2.300114.4E456 Y457 R497 M499E456-Q474 WeakPolarHBondContact OE2-CB 3.43Å; E456-Q474 WeakPolarHBondContact OE2-CG 3.22Å; E456-Q474 PolarHBondContact OE2-N 3.44Å; Y457-Q474 PolarHBondContact OH-NE2 3.02Å; Q474-R497 WeakPolarHBondContact O-CD 3.37Å; Q474-M499 HydrophobicContact CG-CG 4.21Å; Q474-M499 HydrophobicContact CG-SD 3.53Å; Q474-M499 VanDerWaalsContact CG-SD 3.53Å
475T89.8Confident93.7Very high36 Ų3635.5 Ų35.522%0.22118%0.178CC..SBendtrans-118.5172.9-176.178.10000111.5E456 G473 I477 R497E456-T475 WeakPolarHBondContact OE1-CG2 3.45Å; G473-T475 VanDerWaalsContact C-N 3.28Å; G473-T475 PolarHBondContact O-N 3.11Å; T475-I477 WeakPolarHBondContact OG1-CB 3.46Å; T475-I477 PolarHBondContact OG1-N 3.01Å; T475-I477 VanDerWaalsContact OG1-N 3.15Å; T475-R497 WeakPolarHBondContact O-CB 3.39Å
476T92.9Very high94Very high45 Ų4536.2 Ų36.228%0.27618%0.184SC..  trans-97.35.7167.855.70000112.1H493 M494 R497T476-H493 CarbonylContact O-C 3.47Å; T476-H493 VanDerWaalsContact O-CA 3.25Å; T476-H493 WeakPolarHBondContact O-CA 3.28Å; T476-M494 WeakPolarHBondContact CB-O 3.25Å; T476-M494 PolarHBondContact O-N 3.39Å; T476-R497 HydrophobicContact CG2-CB 4.06Å
477I95Very high94.3Very high30 Ų3039 Ų3915%0.15419%0.194CC..  trans-70.2135.7-175.5-62.6174.4000108.7T475 Q490T475-I477 WeakPolarHBondContact OG1-CB 3.46Å; T475-I477 PolarHBondContact OG1-N 3.01Å; T475-I477 VanDerWaalsContact OG1-N 3.15Å; I477-Q490 HydrophobicContact CG2-CG 4.16Å
478T96Very high94.4Very high0 Ų038.8 Ų38.80%019%0.192CC..  trans-112.8115.2168.2-61.30000107.7Y469 F470 V471 M491 A492 W537Y469-T478 HydrophobicContact CD1-CG2 4.34Å; F470-T478 WeakPolarHBondContact O-CA 3.41Å; V471-T478 HydrophobicContact CG1-CG2 3.78Å; T478-M491 HydrophobicContact CG2-CB 3.93Å; T478-M491 HydrophobicContact CG2-CG 4.38Å; T478-M491 PolarHBondContact O-N 3.49Å; T478-A492 WeakPolarHBondContact CB-O 3.32Å; T478-A492 PolarHBondContact OG1-O 3.23Å; T478-W537 HydrophobicContact CG2-CZ2 4.22Å; T478-W537 WeakPolarHBondContact OG1-CZ2 3.36Å; T478-W537 PolarHBondContact OG1-NE1 3.48Å
479D95.9Very high94.4Very high9 Ų945.2 Ų45.25%0.04822%0.22CC..EExtended strand (participates in β ladder)trans-105138177.2-75.7-37.7000110.3H454 Y469 F470 W488H454-D479 IonicContact CE1-OD2 3.81Å; H454-D479 IonicContact CG-OD2 3.51Å; H454-D479 IonicContact ND1-OD1 2.66Å; H454-D479 IonicContact ND1-OD2 3.06Å; H454-D479 PolarHBondContact ND1-OD2 3.11Å; Y469-D479 CarbonylContact C-O 3.56Å; Y469-D479 WeakPolarHBondContact CA-O 3.47Å; F470-D479 HydrophobicContact CB-CB 4.46Å; F470-D479 PolarHBondContact N-O 3.09Å; F470-D479 PolarHBondContact O-N 3.09Å; F470-D479 VanDerWaalsContact O-N 3.15Å; D479-W488 HydrophobicContact CB-CE3 3.89Å; D479-W488 HydrophobicContact CB-CZ3 3.79Å
480C96.8Very high94.3Very high7 Ų749.4 Ų49.45%0.04724%0.24CC..EExtended strand (participates in β ladder)trans-114124.2173.4-178.70000108.5I468 Y469 W488 K489 M491I468-C480 CarbonylContact O-C 3.58Å; I468-C480 WeakPolarHBondContact O-CA 3.41Å; Y469-C480 HydrophobicContact CD1-CB 4.04Å; Y469-C480 HydrophobicContact CE1-CB 3.86Å; C480-W488 CarbonylContact O-C 3.43Å; C480-W488 WeakPolarHBondContact O-CA 3.2Å; C480-K489 PolarHBondContact N-O 3.12Å; C480-K489 PolarHBondContact O-N 3.43Å; C480-M491 HydrophobicContact CB-CG 3.71Å; C480-M491 HydrophobicContact CB-SD 3.94Å
481Y97.3Very high94.4Very high0 Ų049.9 Ų49.90%024%0.242CC..EExtended strand (participates in β ladder)trans-109.2129.7175.3177.8-121000109.5I436 V449 A450 I468 P483 N486 E487 W488I436-Y481 HydrophobicContact CD1-CD1 4.07Å; I436-Y481 HydrophobicContact CD1-CE1 4.26Å; I436-Y481 HydrophobicContact CD1-CG 4.49Å; V449-Y481 HydrophobicContact CG1-CE1 4.34Å; V449-Y481 WeakPolarHBondContact CG2-OH 2.98Å; A450-Y481 HydrophobicContact CB-CE2 3.82Å; I468-Y481 HydrophobicContact CD1-CD1 4.33Å; I468-Y481 PolarHBondContact N-O 2.66Å; I468-Y481 PolarHBondContact O-N 3.38Å; Y481-P483 HydrophobicContact CD1-CG 3.83Å; Y481-P483 HydrophobicContact CE1-CB 3.95Å; Y481-P483 HydrophobicContact CE1-CG 3.73Å; Y481-P483 WeakPolarHBondContact O-CD 3.39Å; Y481-N486 WeakPolarHBondContact CE2-OD1 3.09Å; Y481-N486 PolarHBondContact OH-OD1 3.06Å; Y481-E487 WeakPolarHBondContact CA-O 3.47Å; Y481-E487 WeakPolarHBondContact CD2-O 3.33Å; Y481-W488 AromaticContact CD2-CD1 3.89Å; Y481-W488 AromaticContact CD2-CD2 3.86Å; Y481-W488 HydrophobicContact CD2-CD2 3.86Å; Y481-W488 AromaticContact CD2-CE2 3.49Å; Y481-W488 VanDerWaalsContact CD2-CE2 3.49Å; Y481-W488 HydrophobicContact CD2-CG 4.13Å; Y481-W488 AromaticContact CD2-CZ2 3.93Å; Y481-W488 HydrophobicContact CD2-CZ2 3.93Å; Y481-W488 AromaticContact CD2-NE1 3.49Å; Y481-W488 AromaticContact CE2-NE1 3.78Å; Y481-W488 HydrophobicContact CG-CD2 4.34Å; Y481-W488 AromaticContact CG-CE2 4Å; Y481-W488 HydrophobicContact CG-CH2 4.36Å; Y481-W488 HydrophobicContact CG-CZ2 4.01Å
482D96.1Very high94.4Very high21 Ų2151 Ų5111%0.11225%0.252CS..EExtended strand (participates in β ladder)trans-102.8104.9174-170.8-40.8000108.7K467 E484 Q485 N486 E487K467-D482 HydrophobicContact CD-CB 4.42Å; K467-D482 WeakPolarHBondContact CE-OD2 3.37Å; K467-D482 HydrophobicContact CG-CB 4.47Å; K467-D482 IonicContact NZ-OD2 2.72Å; K467-D482 PolarHBondContact NZ-OD2 3.4Å; D482-E484 VanDerWaalsContact C-N 3.27Å; D482-E484 PolarHBondContact O-N 3.16Å; D482-E484 WeakPolarHBondContact OD1-CB 3.33Å; D482-E484 PolarHBondContact OD1-N 2.97Å; D482-Q485 HydrophobicContact CB-CB 4.36Å; D482-Q485 PolarHBondContact OD1-N 3.24Å; D482-Q485 VanDerWaalsContact OD1-N 3.08Å; D482-N486 WeakPolarHBondContact O-CA 3.33Å; D482-N486 PolarHBondContact O-N 3.37Å; D482-E487 PolarHBondContact N-O 3.15Å; D482-E487 PolarHBondContact O-N 2.96Å
483P94Very high94.6Very high23 Ų2355.4 Ų55.415%0.14927%0.271CS..THydrogen-bonded Turntrans-71.3-18.9-177.3-21.936.7000114.2L414 Y419 I468 Y481L414-P483 HydrophobicContact CD2-CG 3.69Å; Y419-P483 HydrophobicContact CE1-CB 4.42Å; Y419-P483 HydrophobicContact CE1-CG 4.45Å; I468-P483 HydrophobicContact CD1-CG 3.95Å; I468-P483 HydrophobicContact CG1-CG 4.17Å; Y481-P483 HydrophobicContact CD1-CG 3.83Å; Y481-P483 HydrophobicContact CE1-CB 3.95Å; Y481-P483 HydrophobicContact CE1-CG 3.73Å; Y481-P483 WeakPolarHBondContact O-CD 3.39Å
484E92.7Very high94.9Very high137 Ų13755.8 Ų55.864%0.6427%0.273SS*.THydrogen-bonded Turntrans-77.5-45.1178.3-64.9-175.5178.400110.8H415 D482H415-E484 IonicContact CE1-OE1 3.62Å; D482-E484 VanDerWaalsContact C-N 3.27Å; D482-E484 PolarHBondContact O-N 3.16Å; D482-E484 WeakPolarHBondContact OD1-CB 3.33Å; D482-E484 PolarHBondContact OD1-N 2.97Å
485Q93.6Very high95.1Very high123 Ų12357.4 Ų57.458%0.57528%0.282SS*.THydrogen-bonded Turntrans-85.3-15.8176.8-61-65.9-30.600112.7D482 E487D482-Q485 HydrophobicContact CB-CB 4.36Å; D482-Q485 PolarHBondContact OD1-N 3.24Å; D482-Q485 VanDerWaalsContact OD1-N 3.08Å; Q485-E487 VanDerWaalsContact C-N 3.29Å; Q485-E487 HydrophobicContact CB-CB 4.2Å; Q485-E487 HydrophobicContact CB-CG 3.95Å
486N93.8Very high95.2Very high89 Ų8957 Ų5748%0.47628%0.277SS..THydrogen-bonded Turntrans55.143.2-169-168.438.4000112.7Y481 D482Y481-N486 WeakPolarHBondContact CE2-OD1 3.09Å; Y481-N486 PolarHBondContact OH-OD1 3.06Å; D482-N486 WeakPolarHBondContact O-CA 3.33Å; D482-N486 PolarHBondContact O-N 3.37Å
487E95.9Very high95.1Very high124 Ų12460.1 Ų60.158%0.57928%0.284SS*.EExtended strand (participates in β ladder)trans-117.4147.6-176.3-71.7-173.3164.700112Y481 D482 Q485Y481-E487 WeakPolarHBondContact CA-O 3.47Å; Y481-E487 WeakPolarHBondContact CD2-O 3.33Å; D482-E487 PolarHBondContact N-O 3.15Å; D482-E487 PolarHBondContact O-N 2.96Å; Q485-E487 VanDerWaalsContact C-N 3.29Å; Q485-E487 HydrophobicContact CB-CB 4.2Å; Q485-E487 HydrophobicContact CB-CG 3.95Å
488W97Very high95.1Very high69 Ų6958.7 Ų58.726%0.26128%0.276SS..EExtended strand (participates in β ladder)trans-109.3138.7174.3-71.788.1000110.4I436 T451 P453 F470 D479 C480 Y481I436-W488 HydrophobicContact CD1-CH2 3.79Å; I436-W488 HydrophobicContact CD1-CZ2 3.52Å; I436-W488 HydrophobicContact CG1-CZ2 4.44Å; T451-W488 PolarHBondContact O-NE1 2.96Å; P453-W488 HydrophobicContact CG-CD2 4.01Å; P453-W488 HydrophobicContact CG-CE3 3.88Å; P453-W488 HydrophobicContact CG-CG 4.35Å; P453-W488 HydrophobicContact CG-CZ3 4.32Å; F470-W488 AromaticContact CD2-CH2 3.77Å; F470-W488 HydrophobicContact CD2-CH2 3.77Å; F470-W488 AromaticContact CD2-CZ3 3.53Å; F470-W488 HydrophobicContact CD2-CZ3 3.53Å; F470-W488 AromaticContact CE2-CH2 3.42Å; F470-W488 HydrophobicContact CE2-CH2 3.42Å; F470-W488 VanDerWaalsContact CE2-CH2 3.42Å; F470-W488 HydrophobicContact CE2-CZ2 4.49Å; F470-W488 AromaticContact CE2-CZ3 3.61Å; F470-W488 HydrophobicContact CE2-CZ3 3.61Å; F470-W488 HydrophobicContact CZ-CH2 4.13Å; D479-W488 HydrophobicContact CB-CE3 3.89Å; D479-W488 HydrophobicContact CB-CZ3 3.79Å; C480-W488 CarbonylContact O-C 3.43Å; C480-W488 WeakPolarHBondContact O-CA 3.2Å; Y481-W488 AromaticContact CD2-CD1 3.89Å; Y481-W488 AromaticContact CD2-CD2 3.86Å; Y481-W488 HydrophobicContact CD2-CD2 3.86Å; Y481-W488 AromaticContact CD2-CE2 3.49Å; Y481-W488 VanDerWaalsContact CD2-CE2 3.49Å; Y481-W488 HydrophobicContact CD2-CG 4.13Å; Y481-W488 AromaticContact CD2-CZ2 3.93Å; Y481-W488 HydrophobicContact CD2-CZ2 3.93Å; Y481-W488 AromaticContact CD2-NE1 3.49Å; Y481-W488 AromaticContact CE2-NE1 3.78Å; Y481-W488 HydrophobicContact CG-CD2 4.34Å; Y481-W488 AromaticContact CG-CE2 4Å; Y481-W488 HydrophobicContact CG-CH2 4.36Å; Y481-W488 HydrophobicContact CG-CZ2 4.01Å
489K96.5Very high95Very high136 Ų13658.9 Ų58.959%0.59128%0.278SS*.EExtended strand (participates in β ladder)trans-135.3126.4173.3-171.7177.1178.6-179.80109.9C480 M491C480-K489 PolarHBondContact N-O 3.12Å; C480-K489 PolarHBondContact O-N 3.43Å; K489-M491 HydrophobicContact CB-SD 4.3Å; K489-M491 HydrophobicContact CD-SD 3.93Å; K489-M491 HydrophobicContact CG-SD 3.87Å
490Q96.6Very high94.9Very high96 Ų9659.5 Ų59.545%0.44928%0.28SS..EExtended strand (participates in β ladder)trans-75.2130.9169.9-168174.933.600109.5I477 H493I477-Q490 HydrophobicContact CG2-CG 4.16Å; Q490-H493 PolarHBondContact NE2-CE1 3.28Å
491M96.9Very high94.8Very high20 Ų2059.7 Ų59.710%0.09928%0.281CS..  trans-103-176.3178.3-52.3-51.4-65.400110.1Y469 T478 C480 K489 H493 Y530Y469-M491 HydrophobicContact CE1-CG 4.13Å; T478-M491 HydrophobicContact CG2-CB 3.93Å; T478-M491 HydrophobicContact CG2-CG 4.38Å; T478-M491 PolarHBondContact O-N 3.49Å; C480-M491 HydrophobicContact CB-CG 3.71Å; C480-M491 HydrophobicContact CB-SD 3.94Å; K489-M491 HydrophobicContact CB-SD 4.3Å; K489-M491 HydrophobicContact CD-SD 3.93Å; K489-M491 HydrophobicContact CG-SD 3.87Å; M491-H493 PolarHBondContact O-N 3.49Å; M491-Y530 HydrophobicContact CB-CE2 4.43Å; M491-Y530 WeakPolarHBondContact CE-OH 3.15Å
492A96.4Very high94.8Very high24 Ų2459.9 Ų59.920%0.19828%0.283CS..PPolyproline II helixtrans-57.7141.1175.500000111.4T478 Y530 N535 W537T478-A492 WeakPolarHBondContact CB-O 3.32Å; T478-A492 PolarHBondContact OG1-O 3.23Å; A492-Y530 HydrophobicContact CB-CE2 4.36Å; A492-N535 WeakPolarHBondContact CB-O 3.3Å; A492-N535 WeakPolarHBondContact CB-OD1 3.49Å; A492-N535 PolarHBondContact N-OD1 2.97Å; A492-W537 VanDerWaalsContact O-CD1 3.23Å; A492-W537 PolarHBondContact O-NE1 2.95Å
493H96.2Very high94.8Very high97 Ų9759.7 Ų59.745%0.44929%0.285SS..PPolyproline II helixtrans-71.7143.8179.4-64.9-96.6000111.2T476 Q490 M491 W537T476-H493 CarbonylContact O-C 3.47Å; T476-H493 VanDerWaalsContact O-CA 3.25Å; T476-H493 WeakPolarHBondContact O-CA 3.28Å; Q490-H493 PolarHBondContact NE2-CE1 3.28Å; M491-H493 PolarHBondContact O-N 3.49Å; H493-W537 VanDerWaalsContact C-CD1 3.41Å
494M95.4Very high94.8Very high7 Ų758.8 Ų58.83%0.03428%0.279CS..PPolyproline II helixtrans-60.7156167.9-61.5-175.16700110.9V471 G472 T476 R498 V512 W537V471-M494 HydrophobicContact CB-SD 4.09Å; G472-M494 PolarHBondContact N-SD 3.36Å; G472-M494 VanDerWaalsContact N-SD 3.42Å; T476-M494 WeakPolarHBondContact CB-O 3.25Å; T476-M494 PolarHBondContact O-N 3.39Å; M494-R498 HydrophobicContact CE-CG 3.83Å; M494-V512 HydrophobicContact CE-CB 4.01Å; M494-V512 HydrophobicContact CE-CG1 4.06Å; M494-V512 HydrophobicContact CE-CG2 4.15Å; M494-W537 HydrophobicContact CE-CH2 4.33Å; M494-W537 HydrophobicContact CE-CZ3 4.41Å; M494-W537 HydrophobicContact CG-CD2 4.15Å; M494-W537 HydrophobicContact CG-CH2 4.2Å; M494-W537 HydrophobicContact CG-CZ2 3.68Å; M494-W537 HydrophobicContact SD-CH2 4.45Å; M494-W537 HydrophobicContact SD-CZ2 4.35Å
495M93.1Very high94.8Very high112 Ų11253.8 Ų53.855%0.55226%0.258SS*.SBendtrans-73.7-38.2176.7-60.9-175.7160.200111.6E528 W537 A539M495-E528 WeakPolarHBondContact CB-OE2 3.39Å; M495-E528 PolarHBondContact N-OE2 3.44Å; M495-W537 WeakPolarHBondContact CE-O 3.36Å; M495-A539 HydrophobicContact SD-CB 4.18Å
496E90.8Very high94.4Very high27 Ų2748 Ų4813%0.12623%0.23CC..SBendtrans-131.2136.9-179.7-172.564.8-141.500111S517 K520 L524 E528E496-S517 WeakPolarHBondContact OE1-CB 3.44Å; E496-S517 PolarHBondContact OE1-OG 2.69Å; E496-K520 WeakPolarHBondContact OE2-CE 3.29Å; E496-K520 IonicContact OE2-NZ 3.99Å; E496-K520 PolarHBondContact OE2-NZ 3.44Å; E496-L524 HydrophobicContact CG-CD1 3.69Å; E496-L524 HydrophobicContact CG-CD2 4.13Å; E496-E528 PolarHBondContact N-OE1 3.4Å
497R92Very high93.7Very high111 Ų11145.7 Ų45.742%0.41922%0.218SC..  trans-72.8136.3170.870.4-175.4115-169-2.3109.7Q474 T475 T476 S519Q474-R497 WeakPolarHBondContact O-CD 3.37Å; T475-R497 WeakPolarHBondContact O-CB 3.39Å; T476-R497 HydrophobicContact CG2-CB 4.06Å; R497-S519 PolarHBondContact NE-OG 3.36Å
498R94Very high93Very high0 Ų041 Ų410%020%0.203CC..  trans-149114.4-172.652.117874.7-136.811.2110.8G472 G473 M494 C501 V512 G514 L524 S526 E528G472-R498 CarbonylContact C-O 3.59Å; G472-R498 VanDerWaalsContact CA-O 3.27Å; G472-R498 WeakPolarHBondContact CA-O 2.97Å; G473-R498 PolarHBondContact N-O 2.98Å; G473-R498 CarbonylContact O-C 3.52Å; G473-R498 PolarHBondContact O-N 3.25Å; M494-R498 HydrophobicContact CE-CG 3.83Å; R498-C501 HydrophobicContact CB-CB 4.28Å; R498-C501 HydrophobicContact CG-CB 4Å; R498-V512 VanDerWaalsContact CD-CG1 3.45Å; R498-V512 HydrophobicContact CG-CG1 4.38Å; R498-G514 PolarHBondContact NH1-O 3.31Å; R498-L524 HydrophobicContact CB-CD1 3.7Å; R498-S526 PolarHBondContact NH1-O 2.92Å; R498-S526 PolarHBondContact NH2-O 3.33Å; R498-S526 PolarHBondContact NH2-OG 3.46Å; R498-E528 IonicContact CZ-OE1 3.46Å; R498-E528 IonicContact NE-OE1 3.4Å; R498-E528 PolarHBondContact NE-OE1 2.96Å; R498-E528 IonicContact NH2-OE1 2.66Å; R498-E528 PolarHBondContact NH2-OE1 3.48Å
499M93.6Very high92.7Very high5 Ų538.2 Ų38.23%0.02519%0.194CC..BIsolated β-bridgetrans-88.8150.1170.7-64.6-154.1-29.500111.3Y457 G473 Q474 C501 G515 Y516 Y518Y457-M499 HydrophobicContact CD2-CE 4.36Å; Y457-M499 HydrophobicContact CD2-SD 4.21Å; Y457-M499 HydrophobicContact CE2-CE 3.58Å; Y457-M499 HydrophobicContact CE2-SD 3.62Å; G473-M499 WeakPolarHBondContact O-CG 3.07Å; Q474-M499 HydrophobicContact CG-CG 4.21Å; Q474-M499 HydrophobicContact CG-SD 3.53Å; Q474-M499 VanDerWaalsContact CG-SD 3.53Å; M499-C501 PolarHBondContact O-N 3.18Å; M499-G515 CarbonylContact O-C 3.55Å; M499-G515 WeakPolarHBondContact O-CA 3.03Å; M499-Y516 PolarHBondContact N-O 3.17Å; M499-Y516 PolarHBondContact O-N 3Å; M499-Y518 HydrophobicContact CE-CD2 4.12Å; M499-Y518 HydrophobicContact CE-CE2 3.13Å; M499-Y518 WeakPolarHBondContact CE-OH 3.32Å; M499-Y518 HydrophobicContact CG-CD2 4.42Å; M499-Y518 HydrophobicContact CG-CE2 4.29Å; M499-Y518 HydrophobicContact SD-CD2 4.09Å; M499-Y518 HydrophobicContact SD-CE2 3.52Å; M499-Y518 VanDerWaalsContact SD-CE2 3.52Å
500E94.5Very high92.6Very high22 Ų2231.8 Ų31.810%0.10317%0.166CC..SBendtrans52.639.8175.8-57.5176.116700110.9N408 G458 R548 S549N408-E500 PolarHBondContact ND2-OE1 3.37Å; G458-E500 PolarHBondContact O-N 2.68Å; E500-R548 HydrophobicContact CB-CB 4.29Å; E500-R548 WeakPolarHBondContact OE2-CD 3.48Å; E500-R548 IonicContact OE2-CZ 2.71Å; E500-R548 IonicContact OE2-NE 3.23Å; E500-R548 IonicContact OE2-NH1 3.74Å; E500-R548 PolarHBondContact OE2-NH1 3.5Å; E500-S549 PolarHBondContact O-N 3.4Å; E500-S549 PolarHBondContact OE2-OG 3.01Å
501C95.5Very high92.6Very high10 Ų1027.9 Ų27.97%0.06815%0.147CC..  trans-77.7169.7171.155.40000110.7C460 R498 M499 V512 T513C460-C501 PolarHBondContact SG-O 3.15Å; C460-C501 VanDerWaalsContact SG-SG 3.62Å; R498-C501 HydrophobicContact CB-CB 4.28Å; R498-C501 HydrophobicContact CG-CB 4Å; M499-C501 PolarHBondContact O-N 3.18Å; C501-V512 HydrophobicContact CB-CG1 3.76Å; C501-V512 WeakPolarHBondContact SG-CG1 3.46Å; C501-T513 WeakPolarHBondContact CA-O 3.38Å; C501-T513 VanDerWaalsContact CB-O 3.26Å; C501-T513 WeakPolarHBondContact CB-O 3.43Å
502G95.7Very high92.6Very high4 Ų427 Ų274%0.04114%0.143CC..EExtended strand (participates in β ladder)trans-102.7140.2166.600000110.4V512 T513 H550G502-V512 CarbonylContact O-C 3.59Å; G502-V512 WeakPolarHBondContact O-CA 3.46Å; G502-T513 PolarHBondContact N-O 3.07Å; G502-T513 PolarHBondContact O-N 3.41Å; G502-T513 PolarHBondContact O-OG1 3.47Å; G502-H550 PolarHBondContact N-CE1 3.45Å; G502-H550 PolarHBondContact N-NE2 3.04Å
503A96.1Very high92.6Very high17 Ų1725.8 Ų25.814%0.1413%0.133CC..EExtended strand (participates in β ladder)trans-131.5137.5176.800000111.9C460 V471 Y511 V512C460-A503 HydrophobicContact CB-CB 3.55Å; V471-A503 HydrophobicContact CG2-CB 4.11Å; A503-Y511 CarbonylContact C-O 3.32Å; A503-Y511 VanDerWaalsContact CA-O 3.22Å; A503-Y511 WeakPolarHBondContact CA-O 3.39Å; A503-V512 HydrophobicContact CB-CG2 4.26Å
504V95.1Very high92.6Very high5 Ų521.2 Ų21.23%0.0311%0.112CC..EExtended strand (participates in β ladder)trans-141.3154177.4-66.40000110.9M275 L506 Y511 C552 C554M275-V504 HydrophobicContact CG-CG2 3.87Å; M275-V504 HydrophobicContact SD-CG2 3.52Å; M275-V504 VanDerWaalsContact SD-CG2 3.52Å; V504-L506 HydrophobicContact CG2-CD1 3.69Å; V504-L506 HydrophobicContact CG2-CG 4.06Å; V504-Y511 PolarHBondContact N-O 3.48Å; V504-Y511 PolarHBondContact O-N 2.85Å; V504-C552 VanDerWaalsContact CG1-C 3.46Å; V504-C552 HydrophobicContact CG1-CB 4.12Å; V504-C552 WeakPolarHBondContact CG1-O 3.37Å; V504-C552 VanDerWaalsContact CG1-SG 3.52Å; V504-C554 HydrophobicContact CB-CB 4.44Å
505V92Very high92.6Very high32 Ų3220.9 Ų20.919%0.19411%0.11CC..EExtended strand (participates in β ladder)trans-98.1125.7169.2165.50000108.3I462 L464 C509 I510I462-V505 HydrophobicContact CD1-CB 4.26Å; I462-V505 HydrophobicContact CD1-CG2 3.75Å; I462-V505 VanDerWaalsContact CD1-N 3.28Å; I462-V505 HydrophobicContact CG1-CG2 3.73Å; I462-V505 HydrophobicContact CG2-CG2 4.43Å; L464-V505 HydrophobicContact CB-CG2 4.13Å; L464-V505 HydrophobicContact CD1-CG1 3.9Å; V505-C509 WeakPolarHBondContact CA-O 3.33Å; V505-I510 HydrophobicContact CG2-CG1 3.94Å
506L86.2Confident92.7Very high0 Ų018 Ų180%09%0.094CC..EExtended strand (participates in β ladder)trans-137.4130177.3-70.3161.6000108.2A273 M275 W292 V504 G508 C509 Y511 C554A273-L506 HydrophobicContact CB-CD2 4.04Å; M275-L506 HydrophobicContact CB-CD1 3.84Å; M275-L506 HydrophobicContact CG-CD1 4.38Å; M275-L506 HydrophobicContact SD-CD1 4.31Å; W292-L506 HydrophobicContact CE3-CD1 4.47Å; W292-L506 HydrophobicContact CZ3-CD1 4.22Å; V504-L506 HydrophobicContact CG2-CD1 3.69Å; V504-L506 HydrophobicContact CG2-CG 4.06Å; L506-G508 VanDerWaalsContact C-N 3.25Å; L506-G508 PolarHBondContact O-N 2.98Å; L506-C509 PolarHBondContact N-O 3.41Å; L506-C509 PolarHBondContact O-N 2.63Å; L506-Y511 HydrophobicContact CB-CD2 3.78Å; L506-Y511 HydrophobicContact CB-CE2 3.63Å; L506-Y511 HydrophobicContact CD1-CD2 4.12Å; L506-Y511 HydrophobicContact CD1-CE2 4.46Å; L506-Y511 HydrophobicContact CD1-CG 4.42Å; L506-Y511 HydrophobicContact CG-CD2 4.4Å; L506-Y511 WeakPolarHBondContact O-CE2 3.22Å; L506-C554 HydrophobicContact CD2-CB 3.9Å; L506-C554 WeakPolarHBondContact CD2-SG 3.44Å; L506-C554 HydrophobicContact CG-CB 4.47Å
507N77.3Confident92.9Very high41 Ų4116.8 Ų16.822%0.2199%0.088CC..THydrogen-bonded Turntrans49.944.5175.8-51.3-13.6000113.1N193 V194 C509N193-N507 VanDerWaalsContact O-CG 3.25Å; N193-N507 PolarHBondContact O-ND2 2.86Å; V194-N507 WeakPolarHBondContact CA-OD1 3.37Å; V194-N507 WeakPolarHBondContact O-CA 3.4Å; N507-C509 PolarHBondContact O-N 3.1Å
508G82.4Confident92.6Very high25 Ų2517.9 Ų17.926%0.2589%0.093SC..THydrogen-bonded Turntrans69.910.2179.800000115.8L506 P532L506-G508 VanDerWaalsContact C-N 3.25Å; L506-G508 PolarHBondContact O-N 2.98Å; G508-P532 WeakPolarHBondContact O-CD 3.36Å; G508-P532 WeakPolarHBondContact O-CG 3.14Å
509C90.5Very high92.2Very high12 Ų1220.9 Ų20.98%0.08111%0.114CC..EExtended strand (participates in β ladder)trans-119.6153.2176.9-640000110.6V505 L506 N507 Y511 K529 Y530V505-C509 WeakPolarHBondContact CA-O 3.33Å; L506-C509 PolarHBondContact N-O 3.41Å; L506-C509 PolarHBondContact O-N 2.63Å; N507-C509 PolarHBondContact O-N 3.1Å; C509-Y511 HydrophobicContact CB-CD2 4.43Å; C509-Y511 HydrophobicContact CB-CE2 3.83Å; C509-K529 HydrophobicContact CB-CD 4.38Å; C509-K529 HydrophobicContact CB-CG 3.91Å; C509-K529 WeakPolarHBondContact SG-CE 3.28Å; C509-Y530 WeakPolarHBondContact CA-O 3.19Å; C509-Y530 VanDerWaalsContact CB-O 3.28Å; C509-Y530 WeakPolarHBondContact CB-O 3.17Å
510I95.3Very high91.9Very high0 Ų026.8 Ų26.80%014%0.139CC..EExtended strand (participates in β ladder)trans-91.7130.2172.5-58.6169.7000108.1I462 L464 Y469 V505 V512 K529 Y530 W537I462-I510 HydrophobicContact CG2-CD1 3.9Å; I462-I510 HydrophobicContact CG2-CG1 4.08Å; I462-I510 HydrophobicContact CG2-CG2 3.97Å; L464-I510 HydrophobicContact CD2-CD1 4.15Å; L464-I510 HydrophobicContact CD2-CG1 3.76Å; Y469-I510 HydrophobicContact CD1-CD1 3.78Å; Y469-I510 HydrophobicContact CD2-CD1 3.87Å; Y469-I510 HydrophobicContact CE1-CD1 4.44Å; Y469-I510 HydrophobicContact CG-CD1 3.45Å; Y469-I510 VanDerWaalsContact CG-CD1 3.45Å; V505-I510 HydrophobicContact CG2-CG1 3.94Å; I510-V512 HydrophobicContact CG2-CG2 4.1Å; I510-K529 CarbonylContact O-C 3.58Å; I510-K529 VanDerWaalsContact O-CA 3.31Å; I510-K529 WeakPolarHBondContact O-CA 3.35Å; I510-Y530 HydrophobicContact CD1-CD1 4.07Å; I510-Y530 HydrophobicContact CG1-CD1 4.46Å; I510-Y530 PolarHBondContact N-O 3.39Å; I510-Y530 VanDerWaalsContact N-O 3.08Å; I510-Y530 PolarHBondContact O-N 2.88Å; I510-W537 HydrophobicContact CG2-CH2 4.38Å
511Y95.4Very high91.7Very high15 Ų1527.9 Ų27.96%0.05916%0.157CC..EExtended strand (participates in β ladder)trans-111.2133.4172.2-69-104.3000108.7W292 A503 V504 L506 C509 I527 E528 K529 V540W292-Y511 HydrophobicContact CH2-CD1 4.19Å; W292-Y511 AromaticContact CH2-CE1 3.67Å; W292-Y511 HydrophobicContact CH2-CE1 3.67Å; W292-Y511 HydrophobicContact CZ3-CD1 4.1Å; W292-Y511 AromaticContact CZ3-CE1 3.88Å; W292-Y511 HydrophobicContact CZ3-CE1 3.88Å; A503-Y511 CarbonylContact C-O 3.32Å; A503-Y511 VanDerWaalsContact CA-O 3.22Å; A503-Y511 WeakPolarHBondContact CA-O 3.39Å; V504-Y511 PolarHBondContact N-O 3.48Å; V504-Y511 PolarHBondContact O-N 2.85Å; L506-Y511 HydrophobicContact CB-CD2 3.78Å; L506-Y511 HydrophobicContact CB-CE2 3.63Å; L506-Y511 HydrophobicContact CD1-CD2 4.12Å; L506-Y511 HydrophobicContact CD1-CE2 4.46Å; L506-Y511 HydrophobicContact CD1-CG 4.42Å; L506-Y511 HydrophobicContact CG-CD2 4.4Å; L506-Y511 WeakPolarHBondContact O-CE2 3.22Å; C509-Y511 HydrophobicContact CB-CD2 4.43Å; C509-Y511 HydrophobicContact CB-CE2 3.83Å; Y511-I527 HydrophobicContact CD1-CG2 4.15Å; Y511-E528 CarbonylContact C-O 3.14Å; Y511-E528 WeakPolarHBondContact CA-O 3.39Å; Y511-K529 HydrophobicContact CD1-CB 3.99Å; Y511-K529 HydrophobicContact CD1-CG 4.25Å; Y511-K529 HydrophobicContact CE1-CB 3.83Å; Y511-K529 HydrophobicContact CE1-CD 3.8Å; Y511-K529 HydrophobicContact CE1-CG 3.79Å; Y511-K529 HydrophobicContact CE2-CD 4.36Å; Y511-K529 HydrophobicContact CE2-CG 4.09Å; Y511-K529 WeakPolarHBondContact OH-CD 3.19Å; Y511-V540 HydrophobicContact CD1-CG2 4.08Å; Y511-V540 HydrophobicContact CE1-CG2 4.04Å
512V96.6Very high91.7Very high0 Ų030.4 Ų30.40%017%0.172CC..EExtended strand (participates in β ladder)trans-122.6132.3174.7-165.60000109.2V471 M494 R498 C501 G502 A503 I510 I527 E528 W537V471-V512 HydrophobicContact CB-CG2 4.19Å; V471-V512 HydrophobicContact CG2-CG2 3.74Å; M494-V512 HydrophobicContact CE-CB 4.01Å; M494-V512 HydrophobicContact CE-CG1 4.06Å; M494-V512 HydrophobicContact CE-CG2 4.15Å; R498-V512 VanDerWaalsContact CD-CG1 3.45Å; R498-V512 HydrophobicContact CG-CG1 4.38Å; C501-V512 HydrophobicContact CB-CG1 3.76Å; C501-V512 WeakPolarHBondContact SG-CG1 3.46Å; G502-V512 CarbonylContact O-C 3.59Å; G502-V512 WeakPolarHBondContact O-CA 3.46Å; A503-V512 HydrophobicContact CB-CG2 4.26Å; I510-V512 HydrophobicContact CG2-CG2 4.1Å; V512-I527 WeakPolarHBondContact O-CA 3.13Å; V512-E528 PolarHBondContact N-O 2.8Å; V512-E528 PolarHBondContact O-N 3.48Å; V512-W537 HydrophobicContact CB-CZ3 4.4Å; V512-W537 HydrophobicContact CG2-CH2 3.54Å; V512-W537 HydrophobicContact CG2-CZ3 3.74Å
513T96.3Very high91.7Very high0 Ų031.2 Ų31.20%017%0.174CC..EExtended strand (participates in β ladder)trans-127.9138.5-165.756.10000110.5M275 C501 G502 I527 L543 H550M275-T513 HydrophobicContact CE-CG2 3.77Å; M275-T513 HydrophobicContact SD-CG2 3.77Å; C501-T513 WeakPolarHBondContact CA-O 3.38Å; C501-T513 VanDerWaalsContact CB-O 3.26Å; C501-T513 WeakPolarHBondContact CB-O 3.43Å; G502-T513 PolarHBondContact N-O 3.07Å; G502-T513 PolarHBondContact O-N 3.41Å; G502-T513 PolarHBondContact O-OG1 3.47Å; T513-I527 HydrophobicContact CG2-CB 4.5Å; T513-I527 HydrophobicContact CG2-CD1 4.45Å; T513-I527 HydrophobicContact CG2-CG1 4.09Å; T513-I527 HydrophobicContact CG2-CG2 3.89Å; T513-L543 HydrophobicContact CG2-CD2 4.27Å; T513-H550 PolarHBondContact O-CE1 3.23Å; T513-H550 PolarHBondContact OG1-NE2 2.78Å
514G96.3Very high91.7Very high0 Ų031 Ų310%017%0.17CC..  trans53.5-144.2172.200000115.2R498 L524 S526R498-G514 PolarHBondContact NH1-O 3.31Å; G514-L524 VanDerWaalsContact CA-O 3.29Å; G514-L524 WeakPolarHBondContact CA-O 3.16Å; G514-S526 PolarHBondContact N-O 3.4Å
515G96.1Very high91.8Very high0 Ų034.6 Ų34.60%019%0.187CC..  trans92.1-178-173.600000113.1M499 L524 M547M499-G515 CarbonylContact O-C 3.55Å; M499-G515 WeakPolarHBondContact O-CA 3.03Å; G515-L524 WeakPolarHBondContact O-CB 3.42Å; G515-L524 PolarHBondContact O-N 3.13Å; G515-M547 PolarHBondContact N-O 3.15Å
516Y95.6Very high91.9Very high53 Ų5334.5 Ų34.521%0.20819%0.188CC..EExtended strand (participates in β ladder)trans-112.6129-178.4-172.9-98.6000111.3M499 Y518 Y523M499-Y516 PolarHBondContact N-O 3.17Å; M499-Y516 PolarHBondContact O-N 3Å; Y516-Y518 HydrophobicContact CD1-CD1 4.05Å; Y516-Y518 HydrophobicContact CD1-CD2 4.35Å; Y516-Y518 HydrophobicContact CD1-CE1 4.04Å; Y516-Y518 HydrophobicContact CD1-CE2 4.45Å; Y516-Y518 HydrophobicContact CD1-CG 4.15Å; Y516-Y518 AromaticContact CE1-CD1 3.47Å; Y516-Y518 HydrophobicContact CE1-CD1 3.47Å; Y516-Y518 VanDerWaalsContact CE1-CD1 3.47Å; Y516-Y518 AromaticContact CE1-CE1 3.58Å; Y516-Y518 HydrophobicContact CE1-CE1 3.58Å; Y516-Y518 AromaticContact CE1-CG 3.95Å; Y516-Y518 HydrophobicContact CE1-CG 3.95Å; Y516-Y523 HydrophobicContact CD2-CD1 4.02Å; Y516-Y523 HydrophobicContact CD2-CD2 4.42Å; Y516-Y523 HydrophobicContact CD2-CE1 4.05Å; Y516-Y523 HydrophobicContact CD2-CE2 4.44Å; Y516-Y523 HydrophobicContact CD2-CG 4.2Å; Y516-Y523 HydrophobicContact CE2-CE2 4.34Å
517S93.8Very high92.4Very high0 Ų034.5 Ų34.50%019%0.188CC..EExtended strand (participates in β ladder)trans-99.6107.8173.4173.80000109.8E496 S519 K520 G521 T522E496-S517 WeakPolarHBondContact OE1-CB 3.44Å; E496-S517 PolarHBondContact OE1-OG 2.69Å; S517-S519 VanDerWaalsContact C-N 3.27Å; S517-S519 PolarHBondContact O-N 3.06Å; S517-S519 PolarHBondContact OG-OG 2.96Å; S517-K520 PolarHBondContact O-N 3.18Å; S517-K520 PolarHBondContact OG-N 3.47Å; S517-G521 WeakPolarHBondContact O-CA 3.41Å; S517-G521 PolarHBondContact O-N 3.28Å; S517-T522 PolarHBondContact N-O 3.47Å; S517-T522 PolarHBondContact O-N 3.45Å
518Y86.5Confident93.3Very high134 Ų13432.8 Ų32.853%0.52518%0.178SC..THydrogen-bonded Turntrans-62.7-33.1174.2-81.2-68.6000113M499 Y516 K520 G521M499-Y518 HydrophobicContact CE-CD2 4.12Å; M499-Y518 HydrophobicContact CE-CE2 3.13Å; M499-Y518 WeakPolarHBondContact CE-OH 3.32Å; M499-Y518 HydrophobicContact CG-CD2 4.42Å; M499-Y518 HydrophobicContact CG-CE2 4.29Å; M499-Y518 HydrophobicContact SD-CD2 4.09Å; M499-Y518 HydrophobicContact SD-CE2 3.52Å; M499-Y518 VanDerWaalsContact SD-CE2 3.52Å; Y516-Y518 HydrophobicContact CD1-CD1 4.05Å; Y516-Y518 HydrophobicContact CD1-CD2 4.35Å; Y516-Y518 HydrophobicContact CD1-CE1 4.04Å; Y516-Y518 HydrophobicContact CD1-CE2 4.45Å; Y516-Y518 HydrophobicContact CD1-CG 4.15Å; Y516-Y518 AromaticContact CE1-CD1 3.47Å; Y516-Y518 HydrophobicContact CE1-CD1 3.47Å; Y516-Y518 VanDerWaalsContact CE1-CD1 3.47Å; Y516-Y518 AromaticContact CE1-CE1 3.58Å; Y516-Y518 HydrophobicContact CE1-CE1 3.58Å; Y516-Y518 AromaticContact CE1-CG 3.95Å; Y516-Y518 HydrophobicContact CE1-CG 3.95Å; Y518-K520 VanDerWaalsContact C-N 3.25Å; Y518-K520 PolarHBondContact O-N 3.45Å; Y518-G521 PolarHBondContact O-N 2.83Å
519S85.7Confident93.9Very high63 Ų6333.4 Ų33.444%0.44117%0.174SC..THydrogen-bonded Turntrans-65.9-31.117840.30000113R497 S517R497-S519 PolarHBondContact NE-OG 3.36Å; S517-S519 VanDerWaalsContact C-N 3.27Å; S517-S519 PolarHBondContact O-N 3.06Å; S517-S519 PolarHBondContact OG-OG 2.96Å
520K88.2Confident94.2Very high129 Ų12932.9 Ų32.956%0.56117%0.17SC*.THydrogen-bonded Turntrans-97.4-13.7178.2-67.9178.6169.6171.30112.8E496 S517 Y518 T522E496-K520 WeakPolarHBondContact OE2-CE 3.29Å; E496-K520 IonicContact OE2-NZ 3.99Å; E496-K520 PolarHBondContact OE2-NZ 3.44Å; S517-K520 PolarHBondContact O-N 3.18Å; S517-K520 PolarHBondContact OG-N 3.47Å; Y518-K520 VanDerWaalsContact C-N 3.25Å; Y518-K520 PolarHBondContact O-N 3.45Å; K520-T522 VanDerWaalsContact C-N 3.26Å; K520-T522 HydrophobicContact CB-CG2 3.71Å; K520-T522 PolarHBondContact O-N 2.96Å
521G90.1Very high94Very high45 Ų4534.6 Ų34.646%0.46418%0.179SC..THydrogen-bonded Turntrans62.431.1-174.800000113.2S517 Y518S517-G521 WeakPolarHBondContact O-CA 3.41Å; S517-G521 PolarHBondContact O-N 3.28Å; Y518-G521 PolarHBondContact O-N 2.83Å
522T94.9Very high93.8Very high63 Ų6334.7 Ų34.739%0.38718%0.182SC..EExtended strand (participates in β ladder)trans-141.4152.9-173.4-168.80000112.8S517 K520 L524S517-T522 PolarHBondContact N-O 3.47Å; S517-T522 PolarHBondContact O-N 3.45Å; K520-T522 VanDerWaalsContact C-N 3.26Å; K520-T522 HydrophobicContact CB-CG2 3.71Å; K520-T522 PolarHBondContact O-N 2.96Å; T522-L524 HydrophobicContact CG2-CD2 4.42Å
523Y96.2Very high93.5Very high22 Ų2240.4 Ų40.49%0.08621%0.208CC..EExtended strand (participates in β ladder)trans-68.2138.6164-56-90.4000109.4Y281 Y282 W283 Y516 R548Y281-Y523 AromaticContact CD1-CE1 3.99Å; Y281-Y523 HydrophobicContact CD1-CE1 3.99Å; Y281-Y523 HydrophobicContact CE1-CE1 4.47Å; Y281-Y523 WeakPolarHBondContact CE1-OH 3.45Å; Y282-Y523 HydrophobicContact CD2-CD1 4.42Å; Y282-Y523 AromaticContact CD2-CD2 3.77Å; Y282-Y523 HydrophobicContact CD2-CD2 3.77Å; Y282-Y523 HydrophobicContact CD2-CE2 4.41Å; Y282-Y523 AromaticContact CD2-CG 3.79Å; Y282-Y523 HydrophobicContact CD2-CG 3.79Å; Y282-Y523 AromaticContact CE2-CD2 3.9Å; Y282-Y523 HydrophobicContact CE2-CD2 3.9Å; Y282-Y523 HydrophobicContact CE2-CG 4.23Å; W283-Y523 AromaticContact CD2-CE2 3.97Å; W283-Y523 HydrophobicContact CD2-CE2 3.97Å; W283-Y523 AromaticContact CE2-CE2 3.6Å; W283-Y523 HydrophobicContact CE3-CE2 4.46Å; W283-Y523 HydrophobicContact CG-CE2 4.4Å; W283-Y523 HydrophobicContact CH2-CE2 4.33Å; W283-Y523 HydrophobicContact CZ2-CD2 4.45Å; W283-Y523 AromaticContact CZ2-CE2 3.81Å; W283-Y523 HydrophobicContact CZ2-CE2 3.81Å; W283-Y523 AromaticContact NE1-CE2 3.81Å; Y516-Y523 HydrophobicContact CD2-CD1 4.02Å; Y516-Y523 HydrophobicContact CD2-CD2 4.42Å; Y516-Y523 HydrophobicContact CD2-CE1 4.05Å; Y516-Y523 HydrophobicContact CD2-CE2 4.44Å; Y516-Y523 HydrophobicContact CD2-CG 4.2Å; Y516-Y523 HydrophobicContact CE2-CE2 4.34Å; Y523-R548 HydrophobicContact CD1-CB 4.36Å; Y523-R548 HydrophobicContact CD1-CG 4.12Å; Y523-R548 HydrophobicContact CE1-CG 3.91Å
524L96.1Very high93.2Very high12 Ų1246.3 Ų46.36%0.06324%0.239CC..  trans-96.6145.2178.6-59175.5000109.4E496 R498 G514 G515 T522 P546 M547E496-L524 HydrophobicContact CG-CD1 3.69Å; E496-L524 HydrophobicContact CG-CD2 4.13Å; R498-L524 HydrophobicContact CB-CD1 3.7Å; G514-L524 VanDerWaalsContact CA-O 3.29Å; G514-L524 WeakPolarHBondContact CA-O 3.16Å; G515-L524 WeakPolarHBondContact O-CB 3.42Å; G515-L524 PolarHBondContact O-N 3.13Å; T522-L524 HydrophobicContact CG2-CD2 4.42Å; L524-P546 WeakPolarHBondContact O-CA 3.33Å; L524-M547 PolarHBondContact O-N 2.9Å
525Q95.8Very high93.2Very high81 Ų8149.6 Ų49.638%0.37926%0.257SS..  trans-108.7-11.1165.562-177.115.100111.4N542 L543 P546Q525-N542 HydrophobicContact CB-CB 4.29Å; Q525-N542 HydrophobicContact CG-CB 3.97Å; Q525-N542 CarbonylContact O-C 3.57Å; Q525-N542 WeakPolarHBondContact O-CA 3.33Å; Q525-L543 HydrophobicContact CB-CB 4.43Å; Q525-L543 PolarHBondContact O-N 3.47Å; Q525-P546 HydrophobicContact CB-CB 4.37Å; Q525-P546 HydrophobicContact CB-CG 4.23Å
526S95.5Very high93.2Very high30 Ų3055.7 Ų55.721%0.2128%0.283CS..EExtended strand (participates in β ladder)trans-68.6146.4-172.256.30000112.7R498 G514 N542R498-S526 PolarHBondContact NH1-O 2.92Å; R498-S526 PolarHBondContact NH2-O 3.33Å; R498-S526 PolarHBondContact NH2-OG 3.46Å; G514-S526 PolarHBondContact N-O 3.4Å; S526-N542 WeakPolarHBondContact CA-OD1 3.45Å
527I95.7Very high93.3Very high0 Ų053.5 Ų53.50%028%0.275CS..EExtended strand (participates in β ladder)trans-113.2125.4174-49.4175.2000108.2M275 W299 Y511 V512 T513 V540 G541 L543M275-I527 HydrophobicContact CE-CD1 4.46Å; W299-I527 HydrophobicContact CZ2-CD1 3.8Å; Y511-I527 HydrophobicContact CD1-CG2 4.15Å; V512-I527 WeakPolarHBondContact O-CA 3.13Å; T513-I527 HydrophobicContact CG2-CB 4.5Å; T513-I527 HydrophobicContact CG2-CD1 4.45Å; T513-I527 HydrophobicContact CG2-CG1 4.09Å; T513-I527 HydrophobicContact CG2-CG2 3.89Å; I527-V540 HydrophobicContact CB-CG2 3.87Å; I527-V540 HydrophobicContact CG2-CG2 3.52Å; I527-V540 PolarHBondContact O-N 2.89Å; I527-G541 PolarHBondContact N-O 3.38Å; I527-L543 HydrophobicContact CD1-CD2 4.27Å; I527-L543 HydrophobicContact CG1-CD2 4.42Å; I527-L543 HydrophobicContact CG1-CG 4.43Å
528E96Very high93.4Very high4 Ų457.3 Ų57.32%0.01929%0.292CS..EExtended strand (participates in β ladder)trans-111.5137.6175-67.4179.5-128.600109.5M495 E496 R498 Y511 V512 W537 E538M495-E528 WeakPolarHBondContact CB-OE2 3.39Å; M495-E528 PolarHBondContact N-OE2 3.44Å; E496-E528 PolarHBondContact N-OE1 3.4Å; R498-E528 IonicContact CZ-OE1 3.46Å; R498-E528 IonicContact NE-OE1 3.4Å; R498-E528 PolarHBondContact NE-OE1 2.96Å; R498-E528 IonicContact NH2-OE1 2.66Å; R498-E528 PolarHBondContact NH2-OE1 3.48Å; Y511-E528 CarbonylContact C-O 3.14Å; Y511-E528 WeakPolarHBondContact CA-O 3.39Å; V512-E528 PolarHBondContact N-O 2.8Å; V512-E528 PolarHBondContact O-N 3.48Å; E528-W537 HydrophobicContact CB-CE3 3.72Å; E528-W537 HydrophobicContact CB-CZ3 4.02Å; E528-E538 CarbonylContact C-O 3.53Å; E528-E538 WeakPolarHBondContact CA-O 3.4Å
529K95.2Very high93.8Very high39 Ų3954.4 Ų54.417%0.1730%0.296CS..EExtended strand (participates in β ladder)trans-115.3131176.9175.4-170163.8-153.40109.3C509 I510 Y511 W537 E538 V540C509-K529 HydrophobicContact CB-CD 4.38Å; C509-K529 HydrophobicContact CB-CG 3.91Å; C509-K529 WeakPolarHBondContact SG-CE 3.28Å; I510-K529 CarbonylContact O-C 3.58Å; I510-K529 VanDerWaalsContact O-CA 3.31Å; I510-K529 WeakPolarHBondContact O-CA 3.35Å; Y511-K529 HydrophobicContact CD1-CB 3.99Å; Y511-K529 HydrophobicContact CD1-CG 4.25Å; Y511-K529 HydrophobicContact CE1-CB 3.83Å; Y511-K529 HydrophobicContact CE1-CD 3.8Å; Y511-K529 HydrophobicContact CE1-CG 3.79Å; Y511-K529 HydrophobicContact CE2-CD 4.36Å; Y511-K529 HydrophobicContact CE2-CG 4.09Å; Y511-K529 WeakPolarHBondContact OH-CD 3.19Å; K529-W537 CarbonylContact O-C 3.51Å; K529-W537 VanDerWaalsContact O-CA 3.29Å; K529-W537 WeakPolarHBondContact O-CA 3.3Å; K529-E538 HydrophobicContact CB-CG 4.07Å; K529-E538 HydrophobicContact CD-CG 4.32Å; K529-E538 VanDerWaalsContact CD-OE1 3.32Å; K529-E538 WeakPolarHBondContact CD-OE1 3.2Å; K529-E538 WeakPolarHBondContact CE-OE1 3.45Å; K529-E538 PolarHBondContact N-O 3.45Å; K529-E538 IonicContact NZ-OE1 2.8Å; K529-E538 PolarHBondContact NZ-OE1 3.13Å; K529-E538 PolarHBondContact O-N 3.41Å; K529-V540 HydrophobicContact CB-CB 4.45Å; K529-V540 HydrophobicContact CB-CG1 3.49Å; K529-V540 VanDerWaalsContact CB-CG1 3.49Å; K529-V540 HydrophobicContact CB-CG2 4.1Å; K529-V540 HydrophobicContact CD-CG1 3.85Å; K529-V540 HydrophobicContact CG-CG1 4.35Å
530Y96.4Very high94.1Very high0 Ų053.2 Ų53.20%029%0.286CS..EExtended strand (participates in β ladder)trans-104.7124.3172.4177.2-106.6000110.5Y469 M491 A492 C509 I510 P532 N535 K536 W537Y469-Y530 HydrophobicContact CD1-CE1 4.35Å; Y469-Y530 AromaticContact CE1-CE1 3.82Å; Y469-Y530 HydrophobicContact CE1-CE1 3.82Å; M491-Y530 HydrophobicContact CB-CE2 4.43Å; M491-Y530 WeakPolarHBondContact CE-OH 3.15Å; A492-Y530 HydrophobicContact CB-CE2 4.36Å; C509-Y530 WeakPolarHBondContact CA-O 3.19Å; C509-Y530 VanDerWaalsContact CB-O 3.28Å; C509-Y530 WeakPolarHBondContact CB-O 3.17Å; I510-Y530 HydrophobicContact CD1-CD1 4.07Å; I510-Y530 HydrophobicContact CG1-CD1 4.46Å; I510-Y530 PolarHBondContact N-O 3.39Å; I510-Y530 VanDerWaalsContact N-O 3.08Å; I510-Y530 PolarHBondContact O-N 2.88Å; Y530-P532 HydrophobicContact CE1-CB 3.98Å; Y530-N535 PolarHBondContact OH-OD1 2.94Å; Y530-K536 WeakPolarHBondContact CA-O 3.02Å; Y530-W537 AromaticContact CD2-CD1 3.75Å; Y530-W537 AromaticContact CD2-CD2 4Å; Y530-W537 HydrophobicContact CD2-CD2 4Å; Y530-W537 AromaticContact CD2-CE2 3.64Å; Y530-W537 HydrophobicContact CD2-CG 4.08Å; Y530-W537 HydrophobicContact CD2-CZ2 4.17Å; Y530-W537 AromaticContact CD2-NE1 3.48Å; Y530-W537 HydrophobicContact CG-CD2 4.26Å; Y530-W537 AromaticContact CG-CE2 3.9Å; Y530-W537 HydrophobicContact CG-CH2 4.43Å; Y530-W537 HydrophobicContact CG-CZ2 4Å
531N92.6Very high94.2Very high37 Ų3748.2 Ų48.220%0.19827%0.271CS..EExtended strand (participates in β ladder)trans-98.4115.2170.7-175.8-27.1000109.4E533 L534 N535 K536N531-E533 VanDerWaalsContact C-N 3.34Å; N531-E533 PolarHBondContact O-N 2.76Å; N531-E533 WeakPolarHBondContact OD1-CB 3.41Å; N531-E533 PolarHBondContact OD1-N 3.18Å; N531-L534 HydrophobicContact CB-CB 4.33Å; N531-L534 PolarHBondContact O-N 2.82Å; N531-L534 PolarHBondContact OD1-N 3.07Å; N531-N535 WeakPolarHBondContact O-CA 3.33Å; N531-N535 PolarHBondContact O-N 3.34Å; N531-K536 PolarHBondContact N-O 3.08Å; N531-K536 PolarHBondContact O-N 3.27Å
532P91.1Very high94.5Very high16 Ų1649.9 Ų49.910%0.10427%0.27CS..THydrogen-bonded Turntrans-66.2-32.2-178.729.2-37.7000113.4L464 G508 Y530 N535L464-P532 HydrophobicContact CD2-CB 4.38Å; L464-P532 HydrophobicContact CD2-CG 3.97Å; G508-P532 WeakPolarHBondContact O-CD 3.36Å; G508-P532 WeakPolarHBondContact O-CG 3.14Å; Y530-P532 HydrophobicContact CE1-CB 3.98Å; P532-N535 PolarHBondContact O-N 3.3Å
533E88.5Confident94.5Very high120 Ų12047.2 Ų47.256%0.56125%0.253SS*.THydrogen-bonded Turntrans-68.5-38.8-179.1-59.2-60144.700111.6Q196 Q465 N531Q196-E533 PolarHBondContact NE2-OE1 2.72Å; Q196-E533 VanDerWaalsContact NE2-OE1 3.09Å; Q465-E533 PolarHBondContact NE2-OE1 3.02Å; Q465-E533 VanDerWaalsContact NE2-OE1 3.09Å; N531-E533 VanDerWaalsContact C-N 3.34Å; N531-E533 PolarHBondContact O-N 2.76Å; N531-E533 WeakPolarHBondContact OD1-CB 3.41Å; N531-E533 PolarHBondContact OD1-N 3.18Å
534L91.9Very high94.4Very high125 Ų12549.2 Ų49.265%0.65427%0.269SS*.THydrogen-bonded Turntrans-89.8-10.5178.7-60.1179.8000112.7N531 K536N531-L534 HydrophobicContact CB-CB 4.33Å; N531-L534 PolarHBondContact O-N 2.82Å; N531-L534 PolarHBondContact OD1-N 3.07Å; L534-K536 VanDerWaalsContact C-N 3.32Å; L534-K536 HydrophobicContact CB-CB 4.22Å; L534-K536 PolarHBondContact O-N 3.24Å
535N95.3Very high94.3Very high68 Ų6850 Ų5036%0.36428%0.275SS..THydrogen-bonded Turntrans43.858-168.8-176.330.1000111.2A492 Y530 N531 P532A492-N535 WeakPolarHBondContact CB-O 3.3Å; A492-N535 WeakPolarHBondContact CB-OD1 3.49Å; A492-N535 PolarHBondContact N-OD1 2.97Å; Y530-N535 PolarHBondContact OH-OD1 2.94Å; N531-N535 WeakPolarHBondContact O-CA 3.33Å; N531-N535 PolarHBondContact O-N 3.34Å; P532-N535 PolarHBondContact O-N 3.3Å
536K96.7Very high94.3Very high128 Ų12847.5 Ų47.556%0.55727%0.266SS*.EExtended strand (participates in β ladder)trans-146.6139.9-173.7-174.6179176.4-169.80112Y530 N531 L534Y530-K536 WeakPolarHBondContact CA-O 3.02Å; N531-K536 PolarHBondContact N-O 3.08Å; N531-K536 PolarHBondContact O-N 3.27Å; L534-K536 VanDerWaalsContact C-N 3.32Å; L534-K536 HydrophobicContact CB-CB 4.22Å; L534-K536 PolarHBondContact O-N 3.24Å
537W97.4Very high94.3Very high7 Ų746.2 Ų46.23%0.02726%0.256CS..EExtended strand (participates in β ladder)trans-91.9142.4168.2-69.293000111.7V471 T478 A492 H493 M494 M495 I510 V512 E528 K529 Y530V471-W537 HydrophobicContact CB-CH2 4.49Å; V471-W537 HydrophobicContact CG1-CH2 3.94Å; V471-W537 HydrophobicContact CG1-CZ2 3.79Å; T478-W537 HydrophobicContact CG2-CZ2 4.22Å; T478-W537 WeakPolarHBondContact OG1-CZ2 3.36Å; T478-W537 PolarHBondContact OG1-NE1 3.48Å; A492-W537 VanDerWaalsContact O-CD1 3.23Å; A492-W537 PolarHBondContact O-NE1 2.95Å; H493-W537 VanDerWaalsContact C-CD1 3.41Å; M494-W537 HydrophobicContact CE-CH2 4.33Å; M494-W537 HydrophobicContact CE-CZ3 4.41Å; M494-W537 HydrophobicContact CG-CD2 4.15Å; M494-W537 HydrophobicContact CG-CH2 4.2Å; M494-W537 HydrophobicContact CG-CZ2 3.68Å; M494-W537 HydrophobicContact SD-CH2 4.45Å; M494-W537 HydrophobicContact SD-CZ2 4.35Å; M495-W537 WeakPolarHBondContact CE-O 3.36Å; I510-W537 HydrophobicContact CG2-CH2 4.38Å; V512-W537 HydrophobicContact CB-CZ3 4.4Å; V512-W537 HydrophobicContact CG2-CH2 3.54Å; V512-W537 HydrophobicContact CG2-CZ3 3.74Å; E528-W537 HydrophobicContact CB-CE3 3.72Å; E528-W537 HydrophobicContact CB-CZ3 4.02Å; K529-W537 CarbonylContact O-C 3.51Å; K529-W537 VanDerWaalsContact O-CA 3.29Å; K529-W537 WeakPolarHBondContact O-CA 3.3Å; Y530-W537 AromaticContact CD2-CD1 3.75Å; Y530-W537 AromaticContact CD2-CD2 4Å; Y530-W537 HydrophobicContact CD2-CD2 4Å; Y530-W537 AromaticContact CD2-CE2 3.64Å; Y530-W537 HydrophobicContact CD2-CG 4.08Å; Y530-W537 HydrophobicContact CD2-CZ2 4.17Å; Y530-W537 AromaticContact CD2-NE1 3.48Å; Y530-W537 HydrophobicContact CG-CD2 4.26Å; Y530-W537 AromaticContact CG-CE2 3.9Å; Y530-W537 HydrophobicContact CG-CH2 4.43Å; Y530-W537 HydrophobicContact CG-CZ2 4Å
538E95.8Very high94.2Very high80 Ų8047.9 Ų47.937%0.37426%0.263SS..EExtended strand (participates in β ladder)trans-138143.5173.362.3-175.4177.200111E528 K529 V540E528-E538 CarbonylContact C-O 3.53Å; E528-E538 WeakPolarHBondContact CA-O 3.4Å; K529-E538 HydrophobicContact CB-CG 4.07Å; K529-E538 HydrophobicContact CD-CG 4.32Å; K529-E538 VanDerWaalsContact CD-OE1 3.32Å; K529-E538 WeakPolarHBondContact CD-OE1 3.2Å; K529-E538 WeakPolarHBondContact CE-OE1 3.45Å; K529-E538 PolarHBondContact N-O 3.45Å; K529-E538 IonicContact NZ-OE1 2.8Å; K529-E538 PolarHBondContact NZ-OE1 3.13Å; K529-E538 PolarHBondContact O-N 3.41Å; E538-V540 HydrophobicContact CG-CG1 3.9Å
539A94.6Very high94.2Very high73 Ų7348.7 Ų48.760%0.60327%0.269SS*.EExtended strand (participates in β ladder)trans-78.5125.7171.900000109.3M495M495-A539 HydrophobicContact SD-CB 4.18Å
540V92.3Very high94.2Very high38 Ų3847.4 Ų47.423%0.2326%0.263CS..EExtended strand (participates in β ladder)trans-115.7-13.5-172.8-65.80000114.2Y511 I527 K529 E538Y511-V540 HydrophobicContact CD1-CG2 4.08Å; Y511-V540 HydrophobicContact CE1-CG2 4.04Å; I527-V540 HydrophobicContact CB-CG2 3.87Å; I527-V540 HydrophobicContact CG2-CG2 3.52Å; I527-V540 PolarHBondContact O-N 2.89Å; K529-V540 HydrophobicContact CB-CB 4.45Å; K529-V540 HydrophobicContact CB-CG1 3.49Å; K529-V540 VanDerWaalsContact CB-CG1 3.49Å; K529-V540 HydrophobicContact CB-CG2 4.1Å; K529-V540 HydrophobicContact CD-CG1 3.85Å; K529-V540 HydrophobicContact CG-CG1 4.35Å; E538-V540 HydrophobicContact CG-CG1 3.9Å
541G91.1Very high94.2Very high24 Ų2447.6 Ų47.625%0.24727%0.266CS..EExtended strand (participates in β ladder)trans164.2-164.8179.400000112.7I527I527-G541 PolarHBondContact N-O 3.38Å
542N94.9Very high94.3Very high81 Ų8146.8 Ų46.843%0.43326%0.262SS..EExtended strand (participates in β ladder)trans-131.9150.6176-62.2-53.9000110.4W299 Q525 S526W299-N542 PolarHBondContact NE1-O 3.05Å; Q525-N542 HydrophobicContact CB-CB 4.29Å; Q525-N542 HydrophobicContact CG-CB 3.97Å; Q525-N542 CarbonylContact O-C 3.57Å; Q525-N542 WeakPolarHBondContact O-CA 3.33Å; S526-N542 WeakPolarHBondContact CA-OD1 3.45Å
543L95.6Very high94.6Very high6 Ų646.4 Ų46.43%0.03126%0.26CS..  trans-61.8156.7162.1-63.2178.1000110.1V277 W299 T513 Q525 I527 S545 M547V277-L543 HydrophobicContact CG2-CD2 4.01Å; W299-L543 HydrophobicContact CH2-CD2 3.43Å; W299-L543 VanDerWaalsContact CH2-CD2 3.43Å; W299-L543 HydrophobicContact CZ2-CD2 3.7Å; W299-L543 HydrophobicContact CZ3-CD2 4.48Å; T513-L543 HydrophobicContact CG2-CD2 4.27Å; Q525-L543 HydrophobicContact CB-CB 4.43Å; Q525-L543 PolarHBondContact O-N 3.47Å; I527-L543 HydrophobicContact CD1-CD2 4.27Å; I527-L543 HydrophobicContact CG1-CD2 4.42Å; I527-L543 HydrophobicContact CG1-CG 4.43Å; L543-S545 VanDerWaalsContact CB-O 3.3Å; L543-S545 WeakPolarHBondContact CB-O 3.29Å; L543-S545 PolarHBondContact O-N 2.91Å; L543-M547 HydrophobicContact CD1-CE 4.38Å; L543-M547 HydrophobicContact CD1-CG 3.7Å; L543-M547 HydrophobicContact CD1-SD 4.02Å
544P94.4Very high94.8Very high65 Ų6541.6 Ų41.642%0.42224%0.239SC..SBendtrans-58.3-31.6175.2-26.337.2000113.5H290 W299H290-P544 HydrophobicContact CB-CG 4.31Å; W299-P544 HydrophobicContact CB-CG 4.23Å; W299-P544 HydrophobicContact CD2-CG 3.72Å; W299-P544 HydrophobicContact CE3-CG 3.88Å; W299-P544 HydrophobicContact CG-CG 3.9Å; W299-P544 HydrophobicContact CZ3-CG 4.45Å
545S92.9Very high94.7Very high29 Ų2935.6 Ų35.620%0.20321%0.208CC..SBendtrans-142.7155.4175.559.70000111L543 M547L543-S545 VanDerWaalsContact CB-O 3.3Å; L543-S545 WeakPolarHBondContact CB-O 3.29Å; L543-S545 PolarHBondContact O-N 2.91Å; S545-M547 WeakPolarHBondContact OG-CE 3.13Å
546P95.7Very high94.1Very high27 Ų2733.2 Ų33.218%0.17519%0.194CC..  trans-66.5139.3170.9-15.929.8000110.8Y282 L524 Q525Y282-P546 WeakPolarHBondContact CB-O 3.42Å; Y282-P546 HydrophobicContact CD2-CB 4.03Å; Y282-P546 VanDerWaalsContact CD2-O 3.25Å; Y282-P546 WeakPolarHBondContact CD2-O 3.29Å; Y282-P546 HydrophobicContact CE2-CB 3.92Å; Y282-P546 HydrophobicContact CE2-CG 4.15Å; L524-P546 WeakPolarHBondContact O-CA 3.33Å; Q525-P546 HydrophobicContact CB-CB 4.37Å; Q525-P546 HydrophobicContact CB-CG 4.23Å
547M95.4Very high93.2Very high3 Ų329.9 Ų29.92%0.01518%0.182CC..  trans-160.8160.4179.960.8-175.672.500111.9V277 Y281 L286 G515 L524 L543 S545 H550V277-M547 HydrophobicContact CG1-CE 4.26Å; V277-M547 HydrophobicContact CG1-SD 3.56Å; V277-M547 VanDerWaalsContact CG1-SD 3.56Å; Y281-M547 WeakPolarHBondContact O-CA 3.35Å; L286-M547 HydrophobicContact CD1-CB 3.76Å; L286-M547 HydrophobicContact CD1-CE 4.19Å; G515-M547 PolarHBondContact N-O 3.15Å; L524-M547 PolarHBondContact O-N 2.9Å; L543-M547 HydrophobicContact CD1-CE 4.38Å; L543-M547 HydrophobicContact CD1-CG 3.7Å; L543-M547 HydrophobicContact CD1-SD 4.02Å; S545-M547 WeakPolarHBondContact OG-CE 3.13Å; M547-H550 HydrophobicContact CG-CB 4.26Å; M547-H550 HydrophobicContact SD-CB 3.63Å
548R95.2Very high92Very high36 Ų3632.2 Ų32.214%0.13620%0.197CC..BIsolated β-bridgetrans-129.5168.4165.570.8178.117778.214.2110.2G280 Y281 E500 Y523 H550G280-R548 CarbonylContact C-O 3.55Å; G280-R548 WeakPolarHBondContact CA-O 3.24Å; Y281-R548 PolarHBondContact N-O 3.04Å; Y281-R548 PolarHBondContact O-N 2.76Å; E500-R548 HydrophobicContact CB-CB 4.29Å; E500-R548 WeakPolarHBondContact OE2-CD 3.48Å; E500-R548 IonicContact OE2-CZ 2.71Å; E500-R548 IonicContact OE2-NE 3.23Å; E500-R548 IonicContact OE2-NH1 3.74Å; E500-R548 PolarHBondContact OE2-NH1 3.5Å; Y523-R548 HydrophobicContact CD1-CB 4.36Å; Y523-R548 HydrophobicContact CD1-CG 4.12Å; Y523-R548 HydrophobicContact CE1-CG 3.91Å; R548-H550 PolarHBondContact O-N 3.32Å; R548-H550 VanDerWaalsContact O-N 3.08Å
549S94.9Very high91.8Very high20 Ų2029.8 Ų29.814%0.1419%0.188CC..SBendtrans56.522.8175.4-42.90000114.2E500E500-S549 PolarHBondContact O-N 3.4Å; E500-S549 PolarHBondContact OE2-OG 3.01Å
550H96.1Very high91.7Very high12 Ų1227.5 Ų27.56%0.05617%0.166CC..  trans-78.2150.5175.857.7-78.1000110.8V277 G279 G502 T513 M547 R548V277-H550 HydrophobicContact CG1-CB 4.28Å; G279-H550 WeakPolarHBondContact O-CB 3.25Å; G502-H550 PolarHBondContact N-CE1 3.45Å; G502-H550 PolarHBondContact N-NE2 3.04Å; T513-H550 PolarHBondContact O-CE1 3.23Å; T513-H550 PolarHBondContact OG1-NE2 2.78Å; M547-H550 HydrophobicContact CG-CB 4.26Å; M547-H550 HydrophobicContact SD-CB 3.63Å; R548-H550 PolarHBondContact O-N 3.32Å; R548-H550 VanDerWaalsContact O-N 3.08Å
551G95.3Very high91.7Very high5 Ų526.9 Ų26.95%0.05216%0.163CC..EExtended strand (participates in β ladder)trans-69.3138.416700000110.3V277 I278V277-G551 CarbonylContact C-O 3.58Å; V277-G551 VanDerWaalsContact CA-O 3.29Å; V277-G551 WeakPolarHBondContact CA-O 3.48Å; I278-G551 PolarHBondContact N-O 3.19Å; I278-G551 PolarHBondContact O-N 3.44Å
552C95.8Very high91.7Very high19 Ų1927.1 Ų27.113%0.12816%0.158CC..EExtended strand (participates in β ladder)trans-137.8113.9174.9-162.40000109M275 Y276 V504M275-C552 VanDerWaalsContact SD-SG 3.67Å; Y276-C552 WeakPolarHBondContact O-CA 3.38Å; V504-C552 VanDerWaalsContact CG1-C 3.46Å; V504-C552 HydrophobicContact CG1-CB 4.12Å; V504-C552 WeakPolarHBondContact CG1-O 3.37Å; V504-C552 VanDerWaalsContact CG1-SG 3.52Å
553V95.9Very high91.5Very high8 Ų823.8 Ų23.85%0.04814%0.141CC..EExtended strand (participates in β ladder)trans-134.8147.4-178.5-62.40000111.1Y276 V315 N317 V322 V555Y276-V553 PolarHBondContact N-O 2.91Å; Y276-V553 PolarHBondContact O-N 3.4Å; V315-V553 HydrophobicContact CG1-CG1 3.9Å; N317-V553 HydrophobicContact CB-CB 4.29Å; N317-V553 HydrophobicContact CB-CG1 4.48Å; N317-V553 HydrophobicContact CB-CG2 4.32Å; V322-V553 HydrophobicContact CG1-CG1 4.47Å; V322-V553 HydrophobicContact CG1-CG2 3.79Å; V322-V553 HydrophobicContact CG2-CG2 3.88Å; V553-V555 HydrophobicContact CG2-CG2 4.23Å
554C92.6Very high91.2Very high19 Ų1924.9 Ų24.913%0.12815%0.148CC..EExtended strand (participates in β ladder)trans-93.9125.9170.8171.80000109.1N317 V504 L506 Y556N317-C554 PolarHBondContact ND2-O 2.86Å; V504-C554 HydrophobicContact CB-CB 4.44Å; L506-C554 HydrophobicContact CD2-CB 3.9Å; L506-C554 WeakPolarHBondContact CD2-SG 3.44Å; L506-C554 HydrophobicContact CG-CB 4.47Å; C554-Y556 WeakPolarHBondContact SG-CE2 3.49Å
555V90.3Very high91Very high0 Ų022.1 Ų22.10%013%0.128CC..EExtended strand (participates in β ladder)trans-117.9134.2174.5-178.40000109.3V274 Y276 V322 V553V274-V555 PolarHBondContact N-O 3.26Å; V274-V555 PolarHBondContact O-N 3.24Å; Y276-V555 HydrophobicContact CD2-CB 3.76Å; Y276-V555 HydrophobicContact CD2-CG2 3.51Å; Y276-V555 HydrophobicContact CE2-CB 3.68Å; Y276-V555 HydrophobicContact CE2-CG1 4.31Å; Y276-V555 HydrophobicContact CE2-CG2 3.82Å; Y276-V555 HydrophobicContact CG-CG2 4.37Å; V322-V555 HydrophobicContact CG2-CG2 4.14Å; V553-V555 HydrophobicContact CG2-CG2 4.23Å
556Y83.3Confident90.8Very high18 Ų1821.5 Ų21.57%0.07112%0.122CC..EExtended strand (participates in β ladder)trans-95.2118.8177.9-77-93.8000110.1R160 W164 V194 T272 A273 C554R160-Y556 PolarHBondContact NE-O 3.39Å; W164-Y556 HydrophobicContact CB-CD1 4.24Å; W164-Y556 HydrophobicContact CB-CD2 3.83Å; W164-Y556 HydrophobicContact CB-CE1 4.18Å; W164-Y556 HydrophobicContact CB-CE2 3.79Å; W164-Y556 HydrophobicContact CB-CG 4.07Å; W164-Y556 AromaticContact CD1-CD2 3.88Å; W164-Y556 AromaticContact CD1-CE2 3.04Å; W164-Y556 AromaticContact CD1-CZ 3.31Å; W164-Y556 AromaticContact CG-CD2 3.87Å; W164-Y556 HydrophobicContact CG-CD2 3.87Å; W164-Y556 AromaticContact CG-CE2 3.5Å; W164-Y556 HydrophobicContact CG-CE2 3.5Å; W164-Y556 AromaticContact CG-CZ 3.93Å; W164-Y556 AromaticContact NE1-CE2 3.78Å; V194-Y556 HydrophobicContact CG1-CE1 3.67Å; V194-Y556 HydrophobicContact CG2-CE1 4.32Å; T272-Y556 HydrophobicContact CG2-CD1 4.36Å; T272-Y556 CarbonylContact O-C 3.48Å; T272-Y556 WeakPolarHBondContact O-CA 3.26Å; T272-Y556 WeakPolarHBondContact O-CD1 3.29Å; A273-Y556 HydrophobicContact CB-CD1 3.87Å; A273-Y556 HydrophobicContact CB-CE1 3.59Å; A273-Y556 HydrophobicContact CB-CG 4.47Å; C554-Y556 WeakPolarHBondContact SG-CE2 3.49Å
557N77.6Confident90.4Very high58 Ų5821.1 Ų21.131%0.3112%0.118SC..  trans-80.6139.2177.6-63.6-35.3000109.6P271 T272P271-N557 PolarHBondContact O-ND2 3.06Å; T272-N557 PolarHBondContact O-N 3.41Å
558V72.6Confident90Very high55 Ų5522.7 Ų22.733%0.33313%0.127SC..  trans-1320-175.3-162.20000111R159 R160R159-V558 HydrophobicContact CB-CG1 3.66Å; R159-V558 HydrophobicContact CG-CG1 3.48Å; R159-V558 VanDerWaalsContact CG-CG1 3.48Å; R159-V558 VanDerWaalsContact CZ-OXT 3.29Å; R159-V558 PolarHBondContact NH1-OXT 3.3Å; R159-V558 PolarHBondContact NH2-OXT 3.01Å; R160-V558 HydrophobicContact CB-CG2 3.67Å; R160-V558 HydrophobicContact CG-CG2 3.93Å

Retrieved 558 of 558 residues in 437.5 ms (Link to these results)

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