A0A087Y8K6_POEFO Loading...

Meiosis specific with OB-fold

AlphaFold DB , UniProt , Accession A0A087Y8K6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 471 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
1S32.9Very low52.2Low164 Ų164120.8 Ų120.8100%1.14771%0.706SS**  0117.70-169.80000107.1H3S1-H3 PolarHBondContact O-N 2.93Å; S1-H3 VanDerWaalsContact O-N 3.14Å
2A31.6Very low55.7Low100 Ų100113.3 Ų113.383%0.82667%0.665SS**  trans-66.6107.1-177.900000109.1Q4A2-Q4 PolarHBondContact O-N 3.17Å
3H33.3Very low58.8Low183 Ų183104.6 Ų104.685%0.84761%0.614SS**  trans-74.499.4167.2-98.1-58.7000108.2S1 M5S1-H3 PolarHBondContact O-N 2.93Å; S1-H3 VanDerWaalsContact O-N 3.14Å; H3-M5 PolarHBondContact O-N 3Å
4Q34.9Very low61.4Low187 Ų187101.8 Ų101.887%0.87460%0.603SS**  trans-45101.3165.5-158.3168.47.300109.4A2 A6A2-Q4 PolarHBondContact O-N 3.17Å; Q4-A6 PolarHBondContact O-N 3.34Å
5M35.3Very low63.6Low187 Ų187103.1 Ų103.192%0.92160%0.6SS**  trans-65.2100.3167.1-79.9-168.5163.300107.4H3 S7H3-M5 PolarHBondContact O-N 3Å; M5-S7 PolarHBondContact O-N 3.08Å; M5-S7 VanDerWaalsContact O-N 3.1Å
6A37Very low65.5Low86 Ų8696.9 Ų96.971%0.71156%0.564SS**  trans-60.9113.1163.400000107Q4 Q8Q4-A6 PolarHBondContact O-N 3.34Å; A6-Q8 PolarHBondContact O-N 3.21Å
7S45.3Very low67.1Low112 Ų11295.2 Ų95.278%0.78355%0.55SS*.  trans-56.9102.9169.253.10000107.8M5 S9M5-S7 PolarHBondContact O-N 3.08Å; M5-S7 VanDerWaalsContact O-N 3.1Å; S7-S9 PolarHBondContact O-N 3.5Å
8Q58.8Low68.5Low106 Ų10693.2 Ų93.250%0.49554%0.54SS..  trans-62.8109.9171.3-70.6-170.414.800107.1A6 Y10A6-Q8 PolarHBondContact O-N 3.21Å; Q8-Y10 HydrophobicContact CB-CE1 4.27Å; Q8-Y10 HydrophobicContact CB-CE2 3.91Å; Q8-Y10 VanDerWaalsContact O-CD2 3.29Å; Q8-Y10 WeakPolarHBondContact O-CD2 3.4Å; Q8-Y10 WeakPolarHBondContact O-CE2 3.36Å; Q8-Y10 PolarHBondContact O-N 2.83Å; Q8-Y10 PolarHBondContact OE1-OH 3.22Å
9S81.4Confident69.6Low103 Ų10396.2 Ų96.272%0.7255%0.554SS**  trans-78100.8179.5-175.90000108.7S7S7-S9 PolarHBondContact O-N 3.5Å
10Y90.5Very high70.5Confident63 Ų6393.9 Ų93.925%0.24754%0.539CS..PPolyproline II helixtrans-86.8142.2170.5-52.7-76000109.7Q8 K24 F26 I88Q8-Y10 HydrophobicContact CB-CE1 4.27Å; Q8-Y10 HydrophobicContact CB-CE2 3.91Å; Q8-Y10 VanDerWaalsContact O-CD2 3.29Å; Q8-Y10 WeakPolarHBondContact O-CD2 3.4Å; Q8-Y10 WeakPolarHBondContact O-CE2 3.36Å; Q8-Y10 PolarHBondContact O-N 2.83Å; Q8-Y10 PolarHBondContact OE1-OH 3.22Å; Y10-K24 CarbonylContact C-O 3.55Å; Y10-K24 WeakPolarHBondContact CA-O 3.34Å; Y10-K24 HydrophobicContact CD1-CD 4.49Å; Y10-K24 HydrophobicContact CD1-CG 4.02Å; Y10-K24 HydrophobicContact CE1-CD 4.47Å; Y10-K24 HydrophobicContact CE1-CG 4.36Å; Y10-F26 HydrophobicContact CD1-CB 3.55Å; Y10-F26 HydrophobicContact CD1-CG 4.48Å; Y10-F26 HydrophobicContact CD2-CB 4.28Å; Y10-F26 HydrophobicContact CE1-CB 3.96Å; Y10-F26 HydrophobicContact CE1-CG 4.48Å; Y10-F26 HydrophobicContact CG-CB 3.73Å; Y10-I88 HydrophobicContact CE1-CD1 4.09Å; Y10-I88 HydrophobicContact CE1-CG1 4.08Å; Y10-I88 HydrophobicContact CE1-CG2 4.31Å
11I93.8Very high71.1Confident38 Ų3894 Ų9420%0.19555%0.545CS..PPolyproline II helixtrans-88.9130.8173.4-54.3-179.1000108E15 L16 L20 A23 K24I11-E15 HydrophobicContact CG2-CB 4.12Å; I11-L16 HydrophobicContact CG2-CD2 4.16Å; I11-L20 HydrophobicContact CD1-CD1 3.99Å; I11-L20 HydrophobicContact CD1-CD2 4.36Å; I11-L20 HydrophobicContact CG2-CD1 4.07Å; I11-A23 HydrophobicContact CD1-CB 4.06Å; I11-K24 PolarHBondContact N-O 3.25Å
12S94.3Very high73.6Confident30 Ų3093.6 Ų93.621%0.2153%0.525CS..PPolyproline II helixtrans-70.7151.2175.7670000111.3S14 E15 L16 D57S12-S14 PolarHBondContact O-N 2.64Å; S12-S14 PolarHBondContact OG-OG 3.44Å; S12-S14 VanDerWaalsContact OG-OG 3.14Å; S12-E15 PolarHBondContact O-N 2.76Å; S12-E15 VanDerWaalsContact O-N 3.11Å; S12-E15 WeakPolarHBondContact OG-CB 3.23Å; S12-E15 WeakPolarHBondContact OG-CG 3.39Å; S12-E15 PolarHBondContact OG-OE2 3.18Å; S12-L16 PolarHBondContact O-N 3.4Å; S12-D57 WeakPolarHBondContact CA-OD2 3.35Å
13I96.1Very high76.4Confident1 Ų188.9 Ų88.91%0.00549%0.487CS..G310 helixtrans-61.2-32.8-179.9-68.3173.4000111.1E15 L16 V25 I55 D57 F61 I63I13-E15 VanDerWaalsContact C-N 3.3Å; I13-E15 PolarHBondContact O-N 2.65Å; I13-L16 HydrophobicContact CB-CD1 4.47Å; I13-L16 HydrophobicContact CG2-CD1 4.45Å; I13-L16 PolarHBondContact O-N 2.93Å; I13-V25 HydrophobicContact CG1-CG1 4.07Å; I13-I55 HydrophobicContact CD1-CD1 4.36Å; I13-I55 HydrophobicContact CD1-CG1 4.13Å; I13-D57 HydrophobicContact CD1-CB 3.74Å; I13-D57 HydrophobicContact CG1-CB 4.03Å; I13-D57 WeakPolarHBondContact CG1-OD2 3.27Å; I13-D57 PolarHBondContact N-OD2 2.9Å; I13-F61 HydrophobicContact CB-CB 4.1Å; I13-F61 HydrophobicContact CG2-CB 4Å; I13-I63 HydrophobicContact CD1-CG2 3.83Å; I13-I63 HydrophobicContact CG1-CG2 4.04Å; I13-I63 HydrophobicContact CG2-CB 3.76Å; I13-I63 HydrophobicContact CG2-CD1 4.43Å; I13-I63 HydrophobicContact CG2-CG2 4Å
14S94.7Very high79.3Confident65 Ų6582.4 Ų82.446%0.45546%0.456SS..G310 helixtrans-69.1-25.317854.80000113.5S12S12-S14 PolarHBondContact O-N 2.64Å; S12-S14 PolarHBondContact OG-OG 3.44Å; S12-S14 VanDerWaalsContact OG-OG 3.14Å
15E93.7Very high82.2Confident122 Ų12273.5 Ų73.557%0.5741%0.414SS*.G310 helixtrans-93.8-4.7-179.2-69.3166.6159.900113.3I11 S12 I13 H17I11-E15 HydrophobicContact CG2-CB 4.12Å; S12-E15 PolarHBondContact O-N 2.76Å; S12-E15 VanDerWaalsContact O-N 3.11Å; S12-E15 WeakPolarHBondContact OG-CB 3.23Å; S12-E15 WeakPolarHBondContact OG-CG 3.39Å; S12-E15 PolarHBondContact OG-OE2 3.18Å; I13-E15 VanDerWaalsContact C-N 3.3Å; I13-E15 PolarHBondContact O-N 2.65Å; E15-H17 PolarHBondContact O-N 3.1Å
16L94.3Very high85.1Confident3 Ų365.1 Ų65.12%0.01637%0.373CS..  trans-61.7136.1179.7-72.6172.8000111.4I11 S12 I13 L20 A23 V25 I63 V94 Y113 L115I11-L16 HydrophobicContact CG2-CD2 4.16Å; S12-L16 PolarHBondContact O-N 3.4Å; I13-L16 HydrophobicContact CB-CD1 4.47Å; I13-L16 HydrophobicContact CG2-CD1 4.45Å; I13-L16 PolarHBondContact O-N 2.93Å; L16-L20 HydrophobicContact CD2-CD1 4.02Å; L16-A23 HydrophobicContact CD2-CB 4.48Å; L16-V25 HydrophobicContact CD1-CG2 4.36Å; L16-V25 HydrophobicContact CD2-CG2 3.89Å; L16-I63 HydrophobicContact CD1-CD1 3.72Å; L16-V94 HydrophobicContact CB-CG1 4.35Å; L16-V94 HydrophobicContact CD2-CG2 4.12Å; L16-Y113 WeakPolarHBondContact O-CD2 3.49Å; L16-Y113 WeakPolarHBondContact O-CE2 3.26Å; L16-L115 HydrophobicContact CD1-CD2 3.96Å
17H92.6Very high87.9Confident69 Ų6961 Ų6132%0.31934%0.339SS..  trans-152.5158.4169.663.769.5000111.2E15 N19 L20 Y113E15-H17 PolarHBondContact O-N 3.1Å; H17-N19 PolarHBondContact ND1-N 3.49Å; H17-N19 PolarHBondContact O-N 3.46Å; H17-N19 VanDerWaalsContact O-N 3.11Å; H17-L20 VanDerWaalsContact CE1-CG 3.46Å; H17-L20 WeakPolarHBondContact CE1-CG 3.21Å; H17-L20 PolarHBondContact ND1-N 3.37Å; H17-L20 WeakPolarHBondContact NE2-CD2 3.43Å; H17-L20 WeakPolarHBondContact O-CB 3.27Å; H17-L20 WeakPolarHBondContact O-CG 3.32Å; H17-L20 PolarHBondContact O-N 3.43Å; H17-L20 VanDerWaalsContact O-N 3.1Å; H17-Y113 HydrophobicContact CB-CE2 4.4Å
18P92.4Very high90.3Very high58 Ų5855.7 Ų55.738%0.37730%0.301SS..THydrogen-bonded Turntrans-60.6-26.4-173.7-26.936.5000115L20 Y113P18-L20 PolarHBondContact O-N 3.18Å; P18-Y113 VanDerWaalsContact CD-CE1 3.42Å; P18-Y113 HydrophobicContact CG-CD1 4.09Å; P18-Y113 HydrophobicContact CG-CE1 3.83Å
19N89.8Confident92.1Very high150 Ų15050.6 Ų50.680%0.80228%0.278SS*.THydrogen-bonded Turntrans-780.2179.8-57.3-25.2000114.2H17 S21H17-N19 PolarHBondContact ND1-N 3.49Å; H17-N19 PolarHBondContact O-N 3.46Å; H17-N19 VanDerWaalsContact O-N 3.11Å; N19-S21 PolarHBondContact O-N 3.18Å
20L87.4Confident92.9Very high50 Ų5046.3 Ų46.326%0.26225%0.247SC..  trans-74.3123.5176.7-70.3173.9000110.5I11 L16 H17 P18 A23I11-L20 HydrophobicContact CD1-CD1 3.99Å; I11-L20 HydrophobicContact CD1-CD2 4.36Å; I11-L20 HydrophobicContact CG2-CD1 4.07Å; L16-L20 HydrophobicContact CD2-CD1 4.02Å; H17-L20 VanDerWaalsContact CE1-CG 3.46Å; H17-L20 WeakPolarHBondContact CE1-CG 3.21Å; H17-L20 PolarHBondContact ND1-N 3.37Å; H17-L20 WeakPolarHBondContact NE2-CD2 3.43Å; H17-L20 WeakPolarHBondContact O-CB 3.27Å; H17-L20 WeakPolarHBondContact O-CG 3.32Å; H17-L20 PolarHBondContact O-N 3.43Å; H17-L20 VanDerWaalsContact O-N 3.1Å; P18-L20 PolarHBondContact O-N 3.18Å; L20-A23 HydrophobicContact CB-CB 4.46Å
21S82.8Confident93.1Very high96 Ų9643.7 Ų43.767%0.67124%0.239SC*.SBendtrans-90.7140.6166.657.60000110.3N19 A23N19-S21 PolarHBondContact O-N 3.18Å; S21-A23 VanDerWaalsContact C-N 3.33Å; S21-A23 PolarHBondContact O-N 3.24Å
22H85.7Confident93.2Very high156 Ų15642.6 Ų42.672%0.72223%0.233SC*.SBendtrans56.641.9174.5-55.1-66.9000114.7K24 N91H22-K24 PolarHBondContact O-N 2.77Å; H22-N91 VanDerWaalsContact CA-OD1 3.26Å; H22-N91 WeakPolarHBondContact CA-OD1 3.48Å; H22-N91 PolarHBondContact ND1-OD1 3.47Å
23A91Very high93.2Very high2 Ų242.2 Ų42.22%0.01723%0.229CC..  trans-59.5138.8177.300000111.1I11 L16 L20 S21 N91 P92I11-A23 HydrophobicContact CD1-CB 4.06Å; L16-A23 HydrophobicContact CD2-CB 4.48Å; L20-A23 HydrophobicContact CB-CB 4.46Å; S21-A23 VanDerWaalsContact C-N 3.33Å; S21-A23 PolarHBondContact O-N 3.24Å; A23-N91 PolarHBondContact O-N 3.33Å; A23-P92 HydrophobicContact CB-CG 4.27Å; A23-P92 WeakPolarHBondContact O-CD 3.49Å
24K94.5Very high93Very high46 Ų4644.3 Ų44.320%0.224%0.24CC..EExtended strand (participates in β ladder)trans-129.9111.9175.5-176.5165.1178.1159.10108.5Y10 I11 H22 I88 I89 E90Y10-K24 CarbonylContact C-O 3.55Å; Y10-K24 WeakPolarHBondContact CA-O 3.34Å; Y10-K24 HydrophobicContact CD1-CD 4.49Å; Y10-K24 HydrophobicContact CD1-CG 4.02Å; Y10-K24 HydrophobicContact CE1-CD 4.47Å; Y10-K24 HydrophobicContact CE1-CG 4.36Å; I11-K24 PolarHBondContact N-O 3.25Å; H22-K24 PolarHBondContact O-N 2.77Å; K24-I88 HydrophobicContact CD-CG2 4.39Å; K24-I88 HydrophobicContact CG-CG2 4.06Å; K24-I89 CarbonylContact C-O 3.56Å; K24-I89 WeakPolarHBondContact CA-O 3.41Å; K24-E90 HydrophobicContact CD-CG 4.12Å; K24-E90 VanDerWaalsContact CE-OE1 3.26Å; K24-E90 WeakPolarHBondContact CE-OE1 3.12Å; K24-E90 HydrophobicContact CG-CG 4.12Å; K24-E90 IonicContact NZ-OE1 3.02Å; K24-E90 PolarHBondContact NZ-OE1 3.02Å
25V95.4Very high92.8Very high0 Ų043.9 Ų43.90%024%0.235CC..EExtended strand (participates in β ladder)trans-114.2136.8-172.3-173.40000109.1I13 L16 I55 I88 I89 L115I13-V25 HydrophobicContact CG1-CG1 4.07Å; L16-V25 HydrophobicContact CD1-CG2 4.36Å; L16-V25 HydrophobicContact CD2-CG2 3.89Å; V25-I55 HydrophobicContact CG1-CD1 3.71Å; V25-I88 WeakPolarHBondContact O-CA 3.42Å; V25-I89 PolarHBondContact N-O 3.25Å; V25-I89 PolarHBondContact O-N 2.7Å; V25-L115 HydrophobicContact CG2-CD1 4.27Å
26F95.3Very high92.6Very high11 Ų1143.8 Ų43.85%0.04823%0.229CC..EExtended strand (participates in β ladder)trans-120.5127.1176.3178.1-121.6000109.6Y10 C86 V87 I88 C127 V131 R133 L134Y10-F26 HydrophobicContact CD1-CB 3.55Å; Y10-F26 HydrophobicContact CD1-CG 4.48Å; Y10-F26 HydrophobicContact CD2-CB 4.28Å; Y10-F26 HydrophobicContact CE1-CB 3.96Å; Y10-F26 HydrophobicContact CE1-CG 4.48Å; Y10-F26 HydrophobicContact CG-CB 3.73Å; F26-C86 HydrophobicContact CE2-CB 3.92Å; F26-C86 HydrophobicContact CZ-CB 4.13Å; F26-V87 WeakPolarHBondContact CA-O 3.3Å; F26-V87 WeakPolarHBondContact CD2-O 2.79Å; F26-I88 HydrophobicContact CD2-CG1 3.64Å; F26-I88 HydrophobicContact CE2-CG1 4.26Å; F26-C127 HydrophobicContact CD2-CB 4.38Å; F26-C127 HydrophobicContact CE2-CB 3.6Å; F26-C127 HydrophobicContact CZ-CB 4.38Å; F26-V131 HydrophobicContact CZ-CG1 4.45Å; F26-R133 VanDerWaalsContact CE1-NH2 3.33Å; F26-L134 HydrophobicContact CD1-CD1 3.64Å; F26-L134 HydrophobicContact CD1-CG 4.36Å; F26-L134 HydrophobicContact CD2-CD1 4.35Å; F26-L134 HydrophobicContact CE1-CD1 3.26Å; F26-L134 HydrophobicContact CE1-CG 3.83Å; F26-L134 HydrophobicContact CE2-CD1 4Å; F26-L134 HydrophobicContact CG-CD1 4.21Å; F26-L134 HydrophobicContact CZ-CD1 3.48Å; F26-L134 VanDerWaalsContact CZ-CD1 3.48Å; F26-L134 HydrophobicContact CZ-CG 4.32Å
27G95.9Very high92.4Very high0 Ų046.8 Ų46.80%025%0.25CS..EExtended strand (participates in β ladder)trans-164.1163.4-177.600000112.9R56 C86 V87G27-R56 CarbonylContact C-O 3.6Å; G27-R56 VanDerWaalsContact CA-O 3.22Å; G27-R56 WeakPolarHBondContact CA-O 3.28Å; G27-C86 WeakPolarHBondContact O-CA 3.32Å; G27-V87 PolarHBondContact N-O 2.83Å; G27-V87 VanDerWaalsContact N-O 3.11Å; G27-V87 PolarHBondContact O-N 3.04Å
28V96.6Very high92Very high0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-94.5138.8176.264.40000110.2I30 I55 R56 G84 L134 L137 L138V28-I30 HydrophobicContact CG1-CG2 4.26Å; V28-I30 PolarHBondContact O-N 2.87Å; V28-I55 CarbonylContact O-C 3.59Å; V28-I55 VanDerWaalsContact O-CA 3.25Å; V28-I55 WeakPolarHBondContact O-CA 3.36Å; V28-R56 HydrophobicContact CG1-CB 4.19Å; V28-R56 PolarHBondContact N-O 3.19Å; V28-R56 PolarHBondContact O-N 2.86Å; V28-G84 WeakPolarHBondContact CG2-O 3.29Å; V28-L134 HydrophobicContact CB-CB 4.08Å; V28-L134 HydrophobicContact CB-CD1 4.43Å; V28-L134 HydrophobicContact CG1-CB 4.26Å; V28-L137 HydrophobicContact CG1-CB 4.31Å; V28-L138 HydrophobicContact CG1-CD2 4.34Å; V28-L138 HydrophobicContact CG1-CG 4.49Å; V28-L138 HydrophobicContact CG2-CD1 4.1Å; V28-L138 HydrophobicContact CG2-CD2 3.59Å; V28-L138 HydrophobicContact CG2-CG 3.84Å
29I97.1Very high91.7Very high0 Ų047.4 Ų47.40%025%0.254CS..EExtended strand (participates in β ladder)trans-76.9117.6179.1-60.8171.8000109.5K32 F53 T54 I55 F81 I83 G84 D85 V87I29-K32 HydrophobicContact CG2-CB 4.48Å; I29-F53 HydrophobicContact CD1-CD2 4.48Å; I29-F53 HydrophobicContact CG1-CD2 4.29Å; I29-F53 HydrophobicContact CG2-CB 4.48Å; I29-T54 WeakPolarHBondContact CA-O 3.33Å; I29-I55 HydrophobicContact CG1-CG2 4.11Å; I29-F81 HydrophobicContact CD1-CB 4.04Å; I29-F81 HydrophobicContact CD1-CD2 3.12Å; I29-F81 HydrophobicContact CD1-CE2 3.61Å; I29-F81 HydrophobicContact CD1-CG 3.7Å; I29-I83 HydrophobicContact CG2-CG1 4.32Å; I29-G84 PolarHBondContact O-N 3.36Å; I29-D85 PolarHBondContact N-O 3.33Å; I29-V87 HydrophobicContact CD1-CG1 3.67Å; I29-V87 HydrophobicContact CD1-CG2 4.19Å; I29-V87 HydrophobicContact CG1-CG1 4.24Å; I29-V87 HydrophobicContact CG1-CG2 3.98Å
30I96.7Very high91.3Very high12 Ų1241 Ų416%0.06222%0.219CC..EExtended strand (participates in β ladder)trans-106.4-9.8179.260.5165.2000113.3V28 T54 R56 F62 L138 V142 I252V28-I30 HydrophobicContact CG1-CG2 4.26Å; V28-I30 PolarHBondContact O-N 2.87Å; I30-T54 HydrophobicContact CD1-CG2 3.83Å; I30-T54 HydrophobicContact CG1-CG2 3.77Å; I30-T54 WeakPolarHBondContact CG1-O 3.41Å; I30-T54 PolarHBondContact N-O 3.19Å; I30-R56 HydrophobicContact CD1-CB 4.16Å; I30-R56 HydrophobicContact CG1-CB 4.44Å; I30-R56 HydrophobicContact CG2-CB 3.82Å; I30-F62 HydrophobicContact CD1-CB 3.99Å; I30-F62 HydrophobicContact CD1-CD2 4.01Å; I30-F62 HydrophobicContact CD1-CG 4.1Å; I30-L138 HydrophobicContact CG2-CD2 4.21Å; I30-V142 HydrophobicContact CD1-CG1 3.72Å; I30-I252 HydrophobicContact CD1-CD1 4.08Å
31G96.1Very high90.9Very high8 Ų850.3 Ų50.38%0.08225%0.251CS..EExtended strand (participates in β ladder)trans-163.7148.417700000111.2F53 T54G31-F53 CarbonylContact O-C 3.46Å; G31-F53 WeakPolarHBondContact O-CA 3.38Å; G31-F53 VanDerWaalsContact O-CB 3.31Å; G31-F53 WeakPolarHBondContact O-CB 3.45Å; G31-T54 PolarHBondContact O-N 3.42Å
32K95.7Very high90.9Very high15 Ų1555.1 Ų55.17%0.06526%0.26CS..EExtended strand (participates in β ladder)trans-153.4149.2-177.1-171.2177.4165.6-153.60109.4I29 F51 F53 A78 F81 I83 E212I29-K32 HydrophobicContact CG2-CB 4.48Å; K32-F51 HydrophobicContact CG-CD2 4.46Å; K32-F53 HydrophobicContact CB-CB 4.16Å; K32-F53 HydrophobicContact CG-CB 4.06Å; K32-A78 WeakPolarHBondContact CE-O 3.35Å; K32-A78 PolarHBondContact NZ-O 3.4Å; K32-F81 HydrophobicContact CD-CD2 4.21Å; K32-F81 HydrophobicContact CD-CE2 4.03Å; K32-F81 PolarHBondContact NZ-O 3.4Å; K32-I83 HydrophobicContact CB-CD1 4.19Å; K32-I83 HydrophobicContact CB-CG1 3.79Å; K32-E212 HydrophobicContact CB-CB 4.1Å; K32-E212 HydrophobicContact CB-CG 4.3Å; K32-E212 HydrophobicContact CD-CB 4.45Å; K32-E212 HydrophobicContact CD-CG 3.99Å; K32-E212 VanDerWaalsContact CD-OE2 3.27Å; K32-E212 WeakPolarHBondContact CD-OE2 3.5Å; K32-E212 VanDerWaalsContact CE-OE2 3.26Å; K32-E212 WeakPolarHBondContact CE-OE2 3.38Å; K32-E212 HydrophobicContact CG-CB 4.28Å; K32-E212 HydrophobicContact CG-CG 3.91Å; K32-E212 IonicContact NZ-OE1 3.88Å; K32-E212 PolarHBondContact NZ-OE1 2.95Å; K32-E212 IonicContact NZ-OE2 3.53Å; K32-E212 PolarHBondContact NZ-OE2 2.79Å
33T93.3Very high90.6Very high23 Ų2350.8 Ų50.814%0.14124%0.242CC..  trans-119156179.168.10000111.3G52T33-G52 PolarHBondContact N-O 3.44Å; T33-G52 PolarHBondContact OG1-N 3.28Å; T33-G52 PolarHBondContact OG1-O 2.78Å
34D91.3Very high90.1Very high45 Ų4557.4 Ų57.424%0.24128%0.276CS..  trans-55.4150.6170.1-69.8-13.7000113.6D210 R211D34-D210 VanDerWaalsContact CG-OD2 3.26Å; D34-D210 PolarHBondContact N-OD2 2.84Å; D34-D210 WeakPolarHBondContact OD2-CA 3.35Å; D34-R211 WeakPolarHBondContact OD1-CA 3.35Å; D34-R211 WeakPolarHBondContact OD1-CB 3.2Å; D34-R211 PolarHBondContact OD1-N 3.19Å; D34-R211 PolarHBondContact OD2-N 2.97Å
35V91.9Very high89.4Confident55 Ų5563.9 Ų63.933%0.33331%0.307SS..  trans-65132.3169.21760000109.8F49 F51 I74 A78V35-F49 HydrophobicContact CG1-CB 4.45Å; V35-F49 HydrophobicContact CG1-CD1 3.96Å; V35-F51 HydrophobicContact CG2-CB 4.21Å; V35-F51 HydrophobicContact CG2-CG 4.48Å; V35-I74 HydrophobicContact CB-CG2 4.47Å; V35-I74 HydrophobicContact CG1-CG2 3.7Å; V35-I74 HydrophobicContact CG2-CG2 3.97Å; V35-A78 HydrophobicContact CG2-CB 3.56Å
36R89.8Confident88.8Confident121 Ų12167.9 Ų67.946%0.45733%0.328SS..EExtended strand (participates in β ladder)trans-120.1136.5176.9-60.3-178.2-176.2179.71.8109.8F49 T50R36-F49 CarbonylContact O-C 3.24Å; R36-F49 WeakPolarHBondContact O-CA 3.36Å; R36-T50 HydrophobicContact CB-CG2 4.33Å; R36-T50 PolarHBondContact N-O 3.37Å; R36-T50 PolarHBondContact O-N 3.46Å
37S88.9Confident88.4Confident65 Ų6572.7 Ų72.746%0.45535%0.35SS..EExtended strand (participates in β ladder)trans-102151.7168.368.50000111.3R48S37-R48 CarbonylContact C-O 3.6Å; S37-R48 VanDerWaalsContact CA-O 3.28Å; S37-R48 WeakPolarHBondContact CA-O 3.48Å
38F85.1Confident88.1Confident65 Ų6578.3 Ų78.329%0.28537%0.371SS..EExtended strand (participates in β ladder)trans-153.9150.8172.658.3-83.9000109.8R48 T50 W68F38-R48 WeakPolarHBondContact CD1-O 3.28Å; F38-R48 HydrophobicContact CD2-CB 4.27Å; F38-R48 HydrophobicContact CE1-CB 3.95Å; F38-R48 HydrophobicContact CE2-CB 3.6Å; F38-R48 HydrophobicContact CE2-CG 4.38Å; F38-R48 HydrophobicContact CZ-CB 3.38Å; F38-R48 HydrophobicContact CZ-CG 4.41Å; F38-R48 PolarHBondContact N-O 3.23Å; F38-R48 PolarHBondContact O-N 3.46Å; F38-T50 HydrophobicContact CD1-CG2 4.3Å; F38-T50 HydrophobicContact CE1-CG2 3.82Å; F38-W68 AromaticContact CE1-CE3 3.92Å; F38-W68 HydrophobicContact CE1-CE3 3.92Å; F38-W68 AromaticContact CE1-CZ3 3.47Å; F38-W68 HydrophobicContact CE1-CZ3 3.47Å; F38-W68 VanDerWaalsContact CE1-CZ3 3.47Å; F38-W68 HydrophobicContact CE2-CZ3 4.35Å; F38-W68 AromaticContact CZ-CE3 3.65Å; F38-W68 HydrophobicContact CZ-CE3 3.65Å; F38-W68 AromaticContact CZ-CZ3 3.33Å; F38-W68 HydrophobicContact CZ-CZ3 3.33Å
39P84.5Confident88Confident76 Ų7679.3 Ų79.349%0.49438%0.376SS..EExtended strand (participates in β ladder)trans-67.5139178.426.5-33.5000111.2R41 I44P39-R41 PolarHBondContact O-N 2.98Å; P39-I44 HydrophobicContact CB-CG2 4.39Å
40D82.3Confident87.8Confident14 Ų1480.2 Ų80.28%0.07538%0.381CS..  trans-64.2131.9175.7-179.3-46.5000110.1K42 N43 I44 I46 R48D40-K42 PolarHBondContact O-N 3.5Å; D40-K42 WeakPolarHBondContact OD1-CA 3.48Å; D40-K42 WeakPolarHBondContact OD1-CB 3.35Å; D40-K42 PolarHBondContact OD1-N 2.82Å; D40-N43 WeakPolarHBondContact CB-O 2.97Å; D40-N43 CarbonylContact O-C 3.57Å; D40-N43 VanDerWaalsContact O-C 3.24Å; D40-N43 PolarHBondContact O-N 2.93Å; D40-N43 PolarHBondContact OD1-N 3.38Å; D40-N43 VanDerWaalsContact OD1-N 3.12Å; D40-I44 PolarHBondContact O-N 2.92Å; D40-I46 HydrophobicContact CB-CB 4.22Å; D40-I46 WeakPolarHBondContact CB-O 3.5Å; D40-I46 PolarHBondContact N-O 3.09Å; D40-R48 HydrophobicContact CB-CG 4.18Å; D40-R48 IonicContact OD2-CZ 2.72Å; D40-R48 IonicContact OD2-NE 3.9Å; D40-R48 PolarHBondContact OD2-NE 3Å; D40-R48 IonicContact OD2-NH2 3.54Å; D40-R48 PolarHBondContact OD2-NH2 3.11Å
41R79.4Confident87.7Confident246 Ų24679.8 Ų79.893%0.92838%0.379SS*.SBendtrans-63.9-28.7-177.3-69-175.3179.1179.80.2113.6P39P39-R41 PolarHBondContact O-N 2.98Å
42K82.4Confident87.6Confident197 Ų19780.1 Ų80.186%0.85738%0.383SS*.SBendtrans-90.9-30.9179.2-62.8-175.8178.6-177.40111.6D40D40-K42 PolarHBondContact O-N 3.5Å; D40-K42 WeakPolarHBondContact OD1-CA 3.48Å; D40-K42 WeakPolarHBondContact OD1-CB 3.35Å; D40-K42 PolarHBondContact OD1-N 2.82Å
43N80.1Confident87.7Confident66 Ų6679.6 Ų79.635%0.35338%0.38SS..  trans-138.797.7177.5-169.1-4.9000111.6D40 E45 I46D40-N43 WeakPolarHBondContact CB-O 2.97Å; D40-N43 CarbonylContact O-C 3.57Å; D40-N43 VanDerWaalsContact O-C 3.24Å; D40-N43 PolarHBondContact O-N 2.93Å; D40-N43 PolarHBondContact OD1-N 3.38Å; D40-N43 VanDerWaalsContact OD1-N 3.12Å; N43-E45 PolarHBondContact O-N 3.28Å; N43-E45 PolarHBondContact OD1-N 3.44Å; N43-I46 HydrophobicContact CB-CB 4.48Å; N43-I46 HydrophobicContact CB-CD1 4.05Å; N43-I46 HydrophobicContact CB-CG1 4.22Å; N43-I46 VanDerWaalsContact ND2-CD1 3.34Å; N43-I46 WeakPolarHBondContact ND2-CD1 3.2Å; N43-I46 PolarHBondContact O-N 3.16Å
44I80.2Confident87.9Confident140 Ų14078.7 Ų78.772%0.71838%0.375SS*.THydrogen-bonded Turntrans-59.8-22.2-174.2-60.5168.2000112.3P39 D40 I46P39-I44 HydrophobicContact CB-CG2 4.39Å; D40-I44 PolarHBondContact O-N 2.92Å; I44-I46 VanDerWaalsContact C-N 3.3Å; I44-I46 PolarHBondContact O-N 3.01Å
45E80.1Confident88.2Confident182 Ų18276.5 Ų76.585%0.8536%0.363SS*.THydrogen-bonded Turntrans-76.4-13.9177.5-60.1-176169.600113.7N43N43-E45 PolarHBondContact O-N 3.28Å; N43-E45 PolarHBondContact OD1-N 3.44Å
46I82.8Confident88.4Confident85 Ų8574.3 Ų74.344%0.43635%0.349SS..SBendtrans-102.7122.9179.4-60.5177.3000108.9D40 N43 I44D40-I46 HydrophobicContact CB-CB 4.22Å; D40-I46 WeakPolarHBondContact CB-O 3.5Å; D40-I46 PolarHBondContact N-O 3.09Å; N43-I46 HydrophobicContact CB-CB 4.48Å; N43-I46 HydrophobicContact CB-CD1 4.05Å; N43-I46 HydrophobicContact CB-CG1 4.22Å; N43-I46 VanDerWaalsContact ND2-CD1 3.34Å; N43-I46 WeakPolarHBondContact ND2-CD1 3.2Å; N43-I46 PolarHBondContact O-N 3.16Å; I44-I46 VanDerWaalsContact C-N 3.3Å; I44-I46 PolarHBondContact O-N 3.01Å
47E86.9Confident88.7Confident111 Ų11170 Ų7052%0.51934%0.335SS..EExtended strand (participates in β ladder)trans-83.1138.9170-66.8-163.5159.900111.2F49E47-F49 HydrophobicContact CB-CE2 3.74Å; E47-F49 HydrophobicContact CB-CZ 4.13Å
48R89.4Confident89Confident119 Ų11968.5 Ų68.545%0.44933%0.325SS..EExtended strand (participates in β ladder)trans-109.7149.9168.2-73.1-169.4-174.3-162.6-3.6110.3S37 F38 D40S37-R48 CarbonylContact C-O 3.6Å; S37-R48 VanDerWaalsContact CA-O 3.28Å; S37-R48 WeakPolarHBondContact CA-O 3.48Å; F38-R48 WeakPolarHBondContact CD1-O 3.28Å; F38-R48 HydrophobicContact CD2-CB 4.27Å; F38-R48 HydrophobicContact CE1-CB 3.95Å; F38-R48 HydrophobicContact CE2-CB 3.6Å; F38-R48 HydrophobicContact CE2-CG 4.38Å; F38-R48 HydrophobicContact CZ-CB 3.38Å; F38-R48 HydrophobicContact CZ-CG 4.41Å; F38-R48 PolarHBondContact N-O 3.23Å; F38-R48 PolarHBondContact O-N 3.46Å; D40-R48 HydrophobicContact CB-CG 4.18Å; D40-R48 IonicContact OD2-CZ 2.72Å; D40-R48 IonicContact OD2-NE 3.9Å; D40-R48 PolarHBondContact OD2-NE 3Å; D40-R48 IonicContact OD2-NH2 3.54Å; D40-R48 PolarHBondContact OD2-NH2 3.11Å
49F93.3Very high89.3Confident20 Ų2068.2 Ų68.29%0.08833%0.334CS..EExtended strand (participates in β ladder)trans-119.8146.1-175.6-65-102.9000110.4V35 R36 E47 G69 E71 I74V35-F49 HydrophobicContact CG1-CB 4.45Å; V35-F49 HydrophobicContact CG1-CD1 3.96Å; R36-F49 CarbonylContact O-C 3.24Å; R36-F49 WeakPolarHBondContact O-CA 3.36Å; E47-F49 HydrophobicContact CB-CE2 3.74Å; E47-F49 HydrophobicContact CB-CZ 4.13Å; F49-G69 PolarHBondContact N-O 2.76Å; F49-G69 VanDerWaalsContact N-O 3.17Å; F49-G69 PolarHBondContact O-N 3.23Å; F49-E71 HydrophobicContact CD1-CB 4.4Å; F49-E71 HydrophobicContact CD1-CG 4.24Å; F49-E71 HydrophobicContact CD2-CB 3.76Å; F49-E71 HydrophobicContact CD2-CG 4.44Å; F49-E71 HydrophobicContact CE1-CB 4.16Å; F49-E71 HydrophobicContact CE1-CG 3.8Å; F49-E71 HydrophobicContact CE2-CB 3.52Å; F49-E71 HydrophobicContact CE2-CG 4.07Å; F49-E71 HydrophobicContact CG-CB 4.22Å; F49-E71 HydrophobicContact CZ-CB 3.73Å; F49-E71 HydrophobicContact CZ-CG 3.72Å; F49-I74 HydrophobicContact CB-CB 3.75Å; F49-I74 HydrophobicContact CB-CG1 3.84Å; F49-I74 HydrophobicContact CB-CG2 3.8Å
50T93.4Very high89.7Confident19 Ų1971.6 Ų71.612%0.11734%0.343CS..EExtended strand (participates in β ladder)trans-151151.3176.1-171.10000111.5R36 F38 A67 W68R36-T50 HydrophobicContact CB-CG2 4.33Å; R36-T50 PolarHBondContact N-O 3.37Å; R36-T50 PolarHBondContact O-N 3.46Å; F38-T50 HydrophobicContact CD1-CG2 4.3Å; F38-T50 HydrophobicContact CE1-CG2 3.82Å; T50-A67 VanDerWaalsContact CA-O 3.24Å; T50-A67 WeakPolarHBondContact CA-O 3.49Å; T50-A67 WeakPolarHBondContact CB-O 3.18Å; T50-A67 PolarHBondContact OG1-O 2.87Å; T50-W68 HydrophobicContact CG2-CE3 4.21Å; T50-W68 HydrophobicContact CG2-CH2 4.08Å; T50-W68 HydrophobicContact CG2-CZ3 3.82Å
51F94.6Very high90.3Very high3 Ų374 Ų741%0.01335%0.353CS..EExtended strand (participates in β ladder)trans-148.4161.516376.9-72.8000109.3K32 V35 F53 A67 I74 L77 A78 F81K32-F51 HydrophobicContact CG-CD2 4.46Å; V35-F51 HydrophobicContact CG2-CB 4.21Å; V35-F51 HydrophobicContact CG2-CG 4.48Å; F51-F53 HydrophobicContact CD2-CD1 4.26Å; F51-F53 AromaticContact CE2-CD1 3.62Å; F51-F53 HydrophobicContact CE2-CD1 3.62Å; F51-F53 HydrophobicContact CE2-CE1 4.12Å; F51-F53 HydrophobicContact CZ-CD1 4.18Å; F51-F53 HydrophobicContact CZ-CE1 4.22Å; F51-A67 HydrophobicContact CD1-CB 3.95Å; F51-A67 HydrophobicContact CE1-CB 3.65Å; F51-A67 HydrophobicContact CZ-CB 4.35Å; F51-A67 PolarHBondContact N-O 3.07Å; F51-A67 PolarHBondContact O-N 3.5Å; F51-I74 HydrophobicContact CD1-CD1 4.36Å; F51-I74 HydrophobicContact CD1-CG2 3.81Å; F51-I74 HydrophobicContact CE1-CD1 4.42Å; F51-I74 HydrophobicContact CE1-CG2 4.34Å; F51-L77 HydrophobicContact CE1-CB 4.25Å; F51-L77 HydrophobicContact CE1-CD2 3.92Å; F51-L77 HydrophobicContact CE1-CG 4.09Å; F51-L77 HydrophobicContact CZ-CB 4.38Å; F51-L77 HydrophobicContact CZ-CD2 3.99Å; F51-L77 HydrophobicContact CZ-CG 3.89Å; F51-A78 HydrophobicContact CD1-CB 4.19Å; F51-A78 HydrophobicContact CD2-CB 4.33Å; F51-A78 HydrophobicContact CE1-CB 4Å; F51-A78 HydrophobicContact CE2-CB 4.17Å; F51-A78 HydrophobicContact CG-CB 4.34Å; F51-A78 HydrophobicContact CZ-CB 3.99Å; F51-F81 HydrophobicContact CE2-CE2 4.04Å; F51-F81 AromaticContact CE2-CZ 3.81Å; F51-F81 HydrophobicContact CE2-CZ 3.81Å; F51-F81 HydrophobicContact CZ-CE2 4.43Å; F51-F81 AromaticContact CZ-CZ 3.77Å; F51-F81 HydrophobicContact CZ-CZ 3.77Å
52G95Very high91.2Very high16 Ų1663 Ų6317%0.16531%0.312CS..EExtended strand (participates in β ladder)trans-119.3153177.200000112T33 V65T33-G52 PolarHBondContact N-O 3.44Å; T33-G52 PolarHBondContact OG1-N 3.28Å; T33-G52 PolarHBondContact OG1-O 2.78Å; G52-V65 VanDerWaalsContact CA-O 3.27Å; G52-V65 WeakPolarHBondContact CA-O 3.5Å
53F97.1Very high91.8Very high4 Ų453.6 Ų53.62%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-148.1163.1168.961.3-82.4000110.3I29 G31 K32 F51 I55 V65 F81 I89 L117I29-F53 HydrophobicContact CD1-CD2 4.48Å; I29-F53 HydrophobicContact CG1-CD2 4.29Å; I29-F53 HydrophobicContact CG2-CB 4.48Å; G31-F53 CarbonylContact O-C 3.46Å; G31-F53 WeakPolarHBondContact O-CA 3.38Å; G31-F53 VanDerWaalsContact O-CB 3.31Å; G31-F53 WeakPolarHBondContact O-CB 3.45Å; K32-F53 HydrophobicContact CB-CB 4.16Å; K32-F53 HydrophobicContact CG-CB 4.06Å; F51-F53 HydrophobicContact CD2-CD1 4.26Å; F51-F53 AromaticContact CE2-CD1 3.62Å; F51-F53 HydrophobicContact CE2-CD1 3.62Å; F51-F53 HydrophobicContact CE2-CE1 4.12Å; F51-F53 HydrophobicContact CZ-CD1 4.18Å; F51-F53 HydrophobicContact CZ-CE1 4.22Å; F53-I55 HydrophobicContact CD2-CG2 3.74Å; F53-I55 HydrophobicContact CE2-CG2 3.71Å; F53-V65 HydrophobicContact CD1-CB 4.09Å; F53-V65 HydrophobicContact CD1-CG1 4.32Å; F53-V65 HydrophobicContact CD2-CB 4.02Å; F53-V65 HydrophobicContact CD2-CG2 4.11Å; F53-V65 HydrophobicContact CE1-CB 3.84Å; F53-V65 HydrophobicContact CE1-CG1 3.6Å; F53-V65 HydrophobicContact CE2-CB 3.77Å; F53-V65 HydrophobicContact CE2-CG1 3.98Å; F53-V65 HydrophobicContact CE2-CG2 3.78Å; F53-V65 HydrophobicContact CG-CB 4.18Å; F53-V65 HydrophobicContact CZ-CB 3.69Å; F53-V65 HydrophobicContact CZ-CG1 3.41Å; F53-V65 VanDerWaalsContact CZ-CG1 3.41Å; F53-V65 HydrophobicContact CZ-CG2 4.13Å; F53-V65 PolarHBondContact N-O 3.35Å; F53-V65 WeakPolarHBondContact O-CA 3.45Å; F53-V65 PolarHBondContact O-N 2.85Å; F53-F81 HydrophobicContact CD1-CE2 4.21Å; F53-F81 HydrophobicContact CD1-CZ 4.01Å; F53-F81 HydrophobicContact CD2-CE2 4.42Å; F53-F81 HydrophobicContact CE1-CE2 4.41Å; F53-F81 AromaticContact CE1-CZ 3.79Å; F53-F81 HydrophobicContact CE1-CZ 3.79Å; F53-F81 HydrophobicContact CE2-CZ 4.38Å; F53-F81 HydrophobicContact CG-CE2 4.21Å; F53-F81 HydrophobicContact CG-CZ 4.39Å; F53-F81 AromaticContact CZ-CZ 3.97Å; F53-F81 HydrophobicContact CZ-CZ 3.97Å; F53-I89 HydrophobicContact CE2-CD1 3.96Å; F53-I89 HydrophobicContact CZ-CD1 4.09Å; F53-L117 HydrophobicContact CE1-CD1 3.9Å; F53-L117 HydrophobicContact CZ-CD1 3.84Å
54T97.5Very high92.6Very high3 Ų350.8 Ų50.82%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-121.9128.4-177.6-510000108.3I29 I30 G31 F62 I63 N64 T109 I252I29-T54 WeakPolarHBondContact CA-O 3.33Å; I30-T54 HydrophobicContact CD1-CG2 3.83Å; I30-T54 HydrophobicContact CG1-CG2 3.77Å; I30-T54 WeakPolarHBondContact CG1-O 3.41Å; I30-T54 PolarHBondContact N-O 3.19Å; G31-T54 PolarHBondContact O-N 3.42Å; T54-F62 HydrophobicContact CG2-CB 4.46Å; T54-F62 HydrophobicContact CG2-CD2 3.91Å; T54-I63 WeakPolarHBondContact CA-O 3.4Å; T54-N64 PolarHBondContact OG1-OD1 3.46Å; T54-N64 VanDerWaalsContact OG1-OD1 3.13Å; T54-T109 HydrophobicContact CG2-CG2 4.12Å; T54-I252 HydrophobicContact CG2-CD1 4.39Å
55I97.4Very high93.4Very high0 Ų044.1 Ų44.10%022%0.222CC..EExtended strand (participates in β ladder)trans-112.5150.3176.664.6167.2000111.2I13 V25 V28 I29 F53 F62 I63 V65 V87 I89 L115I13-I55 HydrophobicContact CD1-CD1 4.36Å; I13-I55 HydrophobicContact CD1-CG1 4.13Å; V25-I55 HydrophobicContact CG1-CD1 3.71Å; V28-I55 CarbonylContact O-C 3.59Å; V28-I55 VanDerWaalsContact O-CA 3.25Å; V28-I55 WeakPolarHBondContact O-CA 3.36Å; I29-I55 HydrophobicContact CG1-CG2 4.11Å; F53-I55 HydrophobicContact CD2-CG2 3.74Å; F53-I55 HydrophobicContact CE2-CG2 3.71Å; I55-F62 CarbonylContact O-C 3.59Å; I55-F62 WeakPolarHBondContact O-CA 3.47Å; I55-F62 VanDerWaalsContact O-CB 3.23Å; I55-F62 WeakPolarHBondContact O-CB 3.33Å; I55-I63 HydrophobicContact CD1-CG2 4.12Å; I55-I63 HydrophobicContact CG1-CG2 3.63Å; I55-I63 PolarHBondContact N-O 2.94Å; I55-I63 PolarHBondContact O-N 3.24Å; I55-V65 HydrophobicContact CD1-CG2 4.43Å; I55-V65 HydrophobicContact CG1-CG2 4.12Å; I55-V65 HydrophobicContact CG2-CG2 4.37Å; I55-V87 HydrophobicContact CG2-CG2 3.96Å; I55-I89 HydrophobicContact CD1-CD1 3.77Å; I55-I89 HydrophobicContact CG2-CD1 4.48Å; I55-L115 HydrophobicContact CD1-CD1 4.37Å
56R97.1Very high94.1Very high8 Ų836.8 Ų36.83%0.0319%0.191CC..EExtended strand (participates in β ladder)trans-127.3135.1177.5-172.6173.5-166.4163.212.9110.2G27 V28 I30 S58 A59 F61 F62 L137 L140 P141G27-R56 CarbonylContact C-O 3.6Å; G27-R56 VanDerWaalsContact CA-O 3.22Å; G27-R56 WeakPolarHBondContact CA-O 3.28Å; V28-R56 HydrophobicContact CG1-CB 4.19Å; V28-R56 PolarHBondContact N-O 3.19Å; V28-R56 PolarHBondContact O-N 2.86Å; I30-R56 HydrophobicContact CD1-CB 4.16Å; I30-R56 HydrophobicContact CG1-CB 4.44Å; I30-R56 HydrophobicContact CG2-CB 3.82Å; R56-S58 WeakPolarHBondContact CG-O 2.96Å; R56-S58 PolarHBondContact NE-O 3.34Å; R56-A59 PolarHBondContact NH2-O 3.48Å; R56-F61 WeakPolarHBondContact CG-O 3.5Å; R56-F62 HydrophobicContact CB-CB 3.97Å; R56-F62 HydrophobicContact CG-CB 4.11Å; R56-L137 HydrophobicContact CG-CB 4.31Å; R56-L137 HydrophobicContact CG-CD1 4.31Å; R56-L137 PolarHBondContact NH1-O 3.3Å; R56-L137 VanDerWaalsContact NH1-O 3.13Å; R56-L140 PolarHBondContact NH1-O 3.31Å; R56-P141 PolarHBondContact NH2-O 2.84Å
57D95.4Very high94.7Very high31 Ų3132.7 Ų32.717%0.16617%0.17CC..SBendtrans-116.5-16.8178.275-20.5000113.1S12 I13 F61 L137S12-D57 WeakPolarHBondContact CA-OD2 3.35Å; I13-D57 HydrophobicContact CD1-CB 3.74Å; I13-D57 HydrophobicContact CG1-CB 4.03Å; I13-D57 WeakPolarHBondContact CG1-OD2 3.27Å; I13-D57 PolarHBondContact N-OD2 2.9Å; D57-F61 PolarHBondContact N-O 2.7Å; D57-L137 VanDerWaalsContact C-CD1 3.43Å; D57-L137 WeakPolarHBondContact O-CD1 3.32Å
58S95Very high95Very high34 Ų3433 Ų3324%0.23817%0.166CC..SBendtrans-151.1173.5-175.160.90000111.5R56 E60 F61R56-S58 WeakPolarHBondContact CG-O 2.96Å; R56-S58 PolarHBondContact NE-O 3.34Å; S58-E60 VanDerWaalsContact C-N 3.27Å; S58-E60 PolarHBondContact O-N 3.11Å; S58-F61 WeakPolarHBondContact OG-CB 3.34Å; S58-F61 PolarHBondContact OG-N 3.03Å; S58-F61 VanDerWaalsContact OG-N 3.12Å
59A92.6Very high95.1Very high58 Ų5828.3 Ų28.348%0.47916%0.155SC..SBendtrans-62.5-34.4178.700000112.4R56 L140R56-A59 PolarHBondContact NH2-O 3.48Å; A59-L140 HydrophobicContact CB-CD1 3.85Å
60E92.8Very high95.1Very high148 Ų14828.8 Ų28.869%0.69217%0.165SC*.SBendtrans-103.1-22.9-172.9-63.6-176.2177.100113.6S58 P110S58-E60 VanDerWaalsContact C-N 3.27Å; S58-E60 PolarHBondContact O-N 3.11Å; E60-P110 VanDerWaalsContact O-CG 3.24Å; E60-P110 WeakPolarHBondContact O-CG 3.34Å
61F94.9Very high95Very high65 Ų6533.6 Ų33.629%0.28519%0.187SC..  trans-115.3129.6-173.2-62.9-90.4000113.1I13 R56 D57 S58I13-F61 HydrophobicContact CB-CB 4.1Å; I13-F61 HydrophobicContact CG2-CB 4Å; R56-F61 WeakPolarHBondContact CG-O 3.5Å; D57-F61 PolarHBondContact N-O 2.7Å; S58-F61 WeakPolarHBondContact OG-CB 3.34Å; S58-F61 PolarHBondContact OG-N 3.03Å; S58-F61 VanDerWaalsContact OG-N 3.12Å
62F96.5Very high94.9Very high13 Ų1337.6 Ų37.66%0.05722%0.221CC..EExtended strand (participates in β ladder)trans-147.1156171.155.4-79.5000108.8I30 T54 I55 R56 A108 T109 P110 V142I30-F62 HydrophobicContact CD1-CB 3.99Å; I30-F62 HydrophobicContact CD1-CD2 4.01Å; I30-F62 HydrophobicContact CD1-CG 4.1Å; T54-F62 HydrophobicContact CG2-CB 4.46Å; T54-F62 HydrophobicContact CG2-CD2 3.91Å; I55-F62 CarbonylContact O-C 3.59Å; I55-F62 WeakPolarHBondContact O-CA 3.47Å; I55-F62 VanDerWaalsContact O-CB 3.23Å; I55-F62 WeakPolarHBondContact O-CB 3.33Å; R56-F62 HydrophobicContact CB-CB 3.97Å; R56-F62 HydrophobicContact CG-CB 4.11Å; F62-A108 WeakPolarHBondContact CE2-O 3.3Å; F62-T109 HydrophobicContact CD2-CG2 3.46Å; F62-T109 VanDerWaalsContact CD2-CG2 3.46Å; F62-T109 HydrophobicContact CE2-CG2 3.57Å; F62-T109 WeakPolarHBondContact O-CB 3.49Å; F62-P110 HydrophobicContact CD1-CG 3.77Å; F62-P110 HydrophobicContact CE1-CG 3.68Å; F62-P110 HydrophobicContact CG-CG 4.37Å; F62-P110 HydrophobicContact CZ-CG 4.22Å; F62-V142 HydrophobicContact CE1-CB 4.23Å; F62-V142 HydrophobicContact CE1-CG1 4.35Å; F62-V142 HydrophobicContact CE2-CB 4.17Å; F62-V142 HydrophobicContact CE2-CG1 4.2Å; F62-V142 HydrophobicContact CZ-CB 3.75Å; F62-V142 HydrophobicContact CZ-CG1 4.09Å
63I96.6Very high94.8Very high0 Ų039 Ų390%022%0.222CC..EExtended strand (participates in β ladder)trans-144.1145.1-172-165.7167.5000111.8I13 L16 T54 I55 Y113 L115I13-I63 HydrophobicContact CD1-CG2 3.83Å; I13-I63 HydrophobicContact CG1-CG2 4.04Å; I13-I63 HydrophobicContact CG2-CB 3.76Å; I13-I63 HydrophobicContact CG2-CD1 4.43Å; I13-I63 HydrophobicContact CG2-CG2 4Å; L16-I63 HydrophobicContact CD1-CD1 3.72Å; T54-I63 WeakPolarHBondContact CA-O 3.4Å; I55-I63 HydrophobicContact CD1-CG2 4.12Å; I55-I63 HydrophobicContact CG1-CG2 3.63Å; I55-I63 PolarHBondContact N-O 2.94Å; I55-I63 PolarHBondContact O-N 3.24Å; I63-Y113 WeakPolarHBondContact CD1-O 3.46Å; I63-Y113 WeakPolarHBondContact CG1-O 3.34Å; I63-L115 HydrophobicContact CD1-CD2 4.28Å; I63-L115 HydrophobicContact CD1-CG 4.05Å; I63-L115 HydrophobicContact CG2-CD1 4.22Å; I63-L115 HydrophobicContact CG2-CG 4.4Å
64N96.4Very high94.8Very high7 Ų738.8 Ų38.84%0.03722%0.221CC..EExtended strand (participates in β ladder)trans-79.2137.8173.4-68.2-35.1000110.7T54 C106 P107 T109 R114 L115T54-N64 PolarHBondContact OG1-OD1 3.46Å; T54-N64 VanDerWaalsContact OG1-OD1 3.13Å; N64-C106 PolarHBondContact ND2-SG 3.37Å; N64-P107 PolarHBondContact ND2-O 3.21Å; N64-T109 VanDerWaalsContact OD1-CG2 3.32Å; N64-T109 WeakPolarHBondContact OD1-CG2 3.1Å; N64-R114 WeakPolarHBondContact O-CA 3.49Å; N64-L115 PolarHBondContact O-N 2.82Å
65V96.6Very high94.6Very high1 Ų140.5 Ų40.51%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-119136.1174.4-168.80000108.4G52 F53 I55 I89 L115 L117G52-V65 VanDerWaalsContact CA-O 3.27Å; G52-V65 WeakPolarHBondContact CA-O 3.5Å; F53-V65 HydrophobicContact CD1-CB 4.09Å; F53-V65 HydrophobicContact CD1-CG1 4.32Å; F53-V65 HydrophobicContact CD2-CB 4.02Å; F53-V65 HydrophobicContact CD2-CG2 4.11Å; F53-V65 HydrophobicContact CE1-CB 3.84Å; F53-V65 HydrophobicContact CE1-CG1 3.6Å; F53-V65 HydrophobicContact CE2-CB 3.77Å; F53-V65 HydrophobicContact CE2-CG1 3.98Å; F53-V65 HydrophobicContact CE2-CG2 3.78Å; F53-V65 HydrophobicContact CG-CB 4.18Å; F53-V65 HydrophobicContact CZ-CB 3.69Å; F53-V65 HydrophobicContact CZ-CG1 3.41Å; F53-V65 VanDerWaalsContact CZ-CG1 3.41Å; F53-V65 HydrophobicContact CZ-CG2 4.13Å; F53-V65 PolarHBondContact N-O 3.35Å; F53-V65 WeakPolarHBondContact O-CA 3.45Å; F53-V65 PolarHBondContact O-N 2.85Å; I55-V65 HydrophobicContact CD1-CG2 4.43Å; I55-V65 HydrophobicContact CG1-CG2 4.12Å; I55-V65 HydrophobicContact CG2-CG2 4.37Å; V65-I89 HydrophobicContact CG1-CD1 4.22Å; V65-I89 HydrophobicContact CG2-CD1 3.91Å; V65-L115 CarbonylContact C-O 3.59Å; V65-L115 WeakPolarHBondContact CA-O 3.46Å; V65-L115 HydrophobicContact CB-CB 4.35Å; V65-L115 HydrophobicContact CG1-CB 4Å; V65-L115 HydrophobicContact CG2-CB 4.09Å; V65-L115 HydrophobicContact CG2-CD1 4.16Å; V65-L115 HydrophobicContact CG2-CG 4.5Å; V65-L117 HydrophobicContact CG1-CD1 3.6Å; V65-L117 HydrophobicContact CG1-CD2 4.13Å; V65-L117 HydrophobicContact CG1-CG 3.63Å
66S95.2Very high94.4Very high27 Ų2742.6 Ų42.619%0.18926%0.255CS..EExtended strand (participates in β ladder)trans-129.3125.9175-530000110.4L115 L116 L117S66-L115 PolarHBondContact N-O 2.89Å; S66-L116 WeakPolarHBondContact O-CA 3.05Å; S66-L117 PolarHBondContact O-N 2.92Å
67A95.3Very high94.4Very high0 Ų043 Ų430%026%0.257CS..EExtended strand (participates in β ladder)trans-100.4138.6176.600000110.7T50 F51 I74 L77 L117T50-A67 VanDerWaalsContact CA-O 3.24Å; T50-A67 WeakPolarHBondContact CA-O 3.49Å; T50-A67 WeakPolarHBondContact CB-O 3.18Å; T50-A67 PolarHBondContact OG1-O 2.87Å; F51-A67 HydrophobicContact CD1-CB 3.95Å; F51-A67 HydrophobicContact CE1-CB 3.65Å; F51-A67 HydrophobicContact CZ-CB 4.35Å; F51-A67 PolarHBondContact N-O 3.07Å; F51-A67 PolarHBondContact O-N 3.5Å; A67-I74 HydrophobicContact CB-CD1 3.69Å; A67-L77 HydrophobicContact CB-CD2 3.92Å; A67-L117 HydrophobicContact CB-CB 4.09Å; A67-L117 HydrophobicContact CB-CD1 4.39Å
68W92.9Very high94.3Very high116 Ų11641.7 Ų41.744%0.43925%0.251SS..EExtended strand (participates in β ladder)trans-135134.3177.1-57.383.8000109.9F38 T50 L117F38-W68 AromaticContact CE1-CE3 3.92Å; F38-W68 HydrophobicContact CE1-CE3 3.92Å; F38-W68 AromaticContact CE1-CZ3 3.47Å; F38-W68 HydrophobicContact CE1-CZ3 3.47Å; F38-W68 VanDerWaalsContact CE1-CZ3 3.47Å; F38-W68 HydrophobicContact CE2-CZ3 4.35Å; F38-W68 AromaticContact CZ-CE3 3.65Å; F38-W68 HydrophobicContact CZ-CE3 3.65Å; F38-W68 AromaticContact CZ-CZ3 3.33Å; F38-W68 HydrophobicContact CZ-CZ3 3.33Å; T50-W68 HydrophobicContact CG2-CE3 4.21Å; T50-W68 HydrophobicContact CG2-CH2 4.08Å; T50-W68 HydrophobicContact CG2-CZ3 3.82Å; W68-L117 PolarHBondContact N-O 2.84Å
69G92.5Very high94.3Very high22 Ų2245 Ų4523%0.22727%0.266CS..EExtended strand (participates in β ladder)trans174.9-164.2-179.700000113.5F49F49-G69 PolarHBondContact N-O 2.76Å; F49-G69 VanDerWaalsContact N-O 3.17Å; F49-G69 PolarHBondContact O-N 3.23Å
70G92.3Very high94.4Very high29 Ų2945 Ų4530%0.29926%0.263SS..  trans-73166.5171.700000112.9A72 F73 I74 E119G70-A72 PolarHBondContact O-N 3.11Å; G70-F73 PolarHBondContact O-N 3.09Å; G70-I74 WeakPolarHBondContact O-CB 3.37Å; G70-I74 WeakPolarHBondContact O-CG1 3.31Å; G70-I74 PolarHBondContact O-N 3.44Å; G70-E119 PolarHBondContact N-OE2 3.32Å
71E92.3Very high94.5Very high120 Ų12038.1 Ų38.156%0.56123%0.231SC*.Hα-helixtrans-55.7-51.7-178.3-172.8178.5-172.800112.5F49 F73 I74 S75F49-E71 HydrophobicContact CD1-CB 4.4Å; F49-E71 HydrophobicContact CD1-CG 4.24Å; F49-E71 HydrophobicContact CD2-CB 3.76Å; F49-E71 HydrophobicContact CD2-CG 4.44Å; F49-E71 HydrophobicContact CE1-CB 4.16Å; F49-E71 HydrophobicContact CE1-CG 3.8Å; F49-E71 HydrophobicContact CE2-CB 3.52Å; F49-E71 HydrophobicContact CE2-CG 4.07Å; F49-E71 HydrophobicContact CG-CB 4.22Å; F49-E71 HydrophobicContact CZ-CB 3.73Å; F49-E71 HydrophobicContact CZ-CG 3.72Å; E71-F73 VanDerWaalsContact C-N 3.34Å; E71-F73 PolarHBondContact O-N 3.43Å; E71-I74 PolarHBondContact O-N 3.02Å; E71-S75 VanDerWaalsContact O-CB 3.29Å; E71-S75 WeakPolarHBondContact O-CB 3.49Å; E71-S75 PolarHBondContact O-N 3.5Å; E71-S75 PolarHBondContact O-OG 3.4Å
72A92.3Very high94.5Very high88 Ų8837.6 Ų37.673%0.72724%0.235SC*.Hα-helixtrans-61-42.6-175.800000112.3G70 G76G70-A72 PolarHBondContact O-N 3.11Å; A72-G76 PolarHBondContact O-N 3.29Å
73F93.5Very high94.4Very high44 Ų4438.7 Ų38.719%0.19324%0.241CC..Hα-helixtrans-65.5-49.3176.8171-106.7000111.4G70 E71 L77 E119G70-F73 PolarHBondContact O-N 3.09Å; E71-F73 VanDerWaalsContact C-N 3.34Å; E71-F73 PolarHBondContact O-N 3.43Å; F73-L77 HydrophobicContact CE1-CD2 4.35Å; F73-L77 HydrophobicContact CZ-CD2 4.03Å; F73-L77 WeakPolarHBondContact O-CB 3.42Å; F73-L77 PolarHBondContact O-N 2.9Å; F73-E119 HydrophobicContact CB-CB 4.46Å; F73-E119 HydrophobicContact CB-CG 3.94Å; F73-E119 HydrophobicContact CD1-CB 3.8Å; F73-E119 HydrophobicContact CD1-CG 4.18Å; F73-E119 HydrophobicContact CD2-CB 4.13Å; F73-E119 HydrophobicContact CD2-CG 3.84Å; F73-E119 HydrophobicContact CE1-CB 4.02Å; F73-E119 HydrophobicContact CE2-CB 4.34Å; F73-E119 HydrophobicContact CE2-CG 4.41Å; F73-E119 HydrophobicContact CG-CB 3.86Å; F73-E119 HydrophobicContact CG-CG 3.71Å; F73-E119 HydrophobicContact CZ-CB 4.28Å
74I95.4Very high94.1Very high0 Ų039.8 Ų39.80%025%0.252CS..Hα-helixtrans-68.7-45.9-175.2-69.9-64.7000111.9V35 F49 F51 A67 G70 E71 L77 A78V35-I74 HydrophobicContact CB-CG2 4.47Å; V35-I74 HydrophobicContact CG1-CG2 3.7Å; V35-I74 HydrophobicContact CG2-CG2 3.97Å; F49-I74 HydrophobicContact CB-CB 3.75Å; F49-I74 HydrophobicContact CB-CG1 3.84Å; F49-I74 HydrophobicContact CB-CG2 3.8Å; F51-I74 HydrophobicContact CD1-CD1 4.36Å; F51-I74 HydrophobicContact CD1-CG2 3.81Å; F51-I74 HydrophobicContact CE1-CD1 4.42Å; F51-I74 HydrophobicContact CE1-CG2 4.34Å; A67-I74 HydrophobicContact CB-CD1 3.69Å; G70-I74 WeakPolarHBondContact O-CB 3.37Å; G70-I74 WeakPolarHBondContact O-CG1 3.31Å; G70-I74 PolarHBondContact O-N 3.44Å; E71-I74 PolarHBondContact O-N 3.02Å; I74-L77 PolarHBondContact O-N 3.49Å; I74-A78 VanDerWaalsContact O-CB 3.25Å; I74-A78 WeakPolarHBondContact O-CB 3.35Å; I74-A78 PolarHBondContact O-N 3.31Å
75S93.9Very high94Very high39 Ų3942.1 Ų42.127%0.27326%0.264SS..Hα-helixtrans-65.1-43.2177.5-61.40000111E71 L77 A78 D79E71-S75 VanDerWaalsContact O-CB 3.29Å; E71-S75 WeakPolarHBondContact O-CB 3.49Å; E71-S75 PolarHBondContact O-N 3.5Å; E71-S75 PolarHBondContact O-OG 3.4Å; S75-L77 PolarHBondContact O-N 3.41Å; S75-A78 PolarHBondContact O-N 3.41Å; S75-D79 WeakPolarHBondContact O-CB 3.48Å; S75-D79 PolarHBondContact O-N 3.41Å
76G94.3Very high93.9Very high44 Ų4442.3 Ų42.345%0.45427%0.266SS..Hα-helixtrans-61.9-41.417600000113A72 S80A72-G76 PolarHBondContact O-N 3.29Å; G76-S80 WeakPolarHBondContact O-CB 3.35Å; G76-S80 PolarHBondContact O-N 3.3Å
77L95.3Very high94Very high16 Ų1641 Ų418%0.08426%0.257CS..Hα-helixtrans-67.6-46175.9-175.364.6000111.5F51 A67 F73 I74 S75 D79 S80 F81 L117 V124F51-L77 HydrophobicContact CE1-CB 4.25Å; F51-L77 HydrophobicContact CE1-CD2 3.92Å; F51-L77 HydrophobicContact CE1-CG 4.09Å; F51-L77 HydrophobicContact CZ-CB 4.38Å; F51-L77 HydrophobicContact CZ-CD2 3.99Å; F51-L77 HydrophobicContact CZ-CG 3.89Å; A67-L77 HydrophobicContact CB-CD2 3.92Å; F73-L77 HydrophobicContact CE1-CD2 4.35Å; F73-L77 HydrophobicContact CZ-CD2 4.03Å; F73-L77 WeakPolarHBondContact O-CB 3.42Å; F73-L77 PolarHBondContact O-N 2.9Å; I74-L77 PolarHBondContact O-N 3.49Å; S75-L77 PolarHBondContact O-N 3.41Å; L77-D79 VanDerWaalsContact C-N 3.32Å; L77-D79 PolarHBondContact O-N 3.29Å; L77-S80 WeakPolarHBondContact O-CB 3.31Å; L77-S80 PolarHBondContact O-N 3.2Å; L77-S80 VanDerWaalsContact O-N 3.17Å; L77-S80 PolarHBondContact O-OG 3.42Å; L77-F81 HydrophobicContact CD1-CE1 3.81Å; L77-F81 HydrophobicContact CG-CE1 4Å; L77-F81 HydrophobicContact CG-CZ 4.45Å; L77-F81 VanDerWaalsContact O-CE1 3.3Å; L77-F81 WeakPolarHBondContact O-CE1 3.38Å; L77-L117 HydrophobicContact CD2-CD1 4.28Å; L77-V124 HydrophobicContact CD1-CB 3.74Å; L77-V124 HydrophobicContact CD1-CG2 3.91Å; L77-V124 HydrophobicContact CD2-CG2 4.5Å
78A94.7Very high94Very high4 Ų441.6 Ų41.63%0.03326%0.26CS..Hα-helixtrans-62.6-37.4179.600000112.2K32 V35 F51 I74 S75 S80K32-A78 WeakPolarHBondContact CE-O 3.35Å; K32-A78 PolarHBondContact NZ-O 3.4Å; V35-A78 HydrophobicContact CG2-CB 3.56Å; F51-A78 HydrophobicContact CD1-CB 4.19Å; F51-A78 HydrophobicContact CD2-CB 4.33Å; F51-A78 HydrophobicContact CE1-CB 4Å; F51-A78 HydrophobicContact CE2-CB 4.17Å; F51-A78 HydrophobicContact CG-CB 4.34Å; F51-A78 HydrophobicContact CZ-CB 3.99Å; I74-A78 VanDerWaalsContact O-CB 3.25Å; I74-A78 WeakPolarHBondContact O-CB 3.35Å; I74-A78 PolarHBondContact O-N 3.31Å; S75-A78 PolarHBondContact O-N 3.41Å; A78-S80 VanDerWaalsContact C-N 3.3Å; A78-S80 PolarHBondContact O-N 3.34Å
79D94.9Very high94.2Very high104 Ų10436.1 Ų36.156%0.55624%0.239SC*.Hα-helixtrans-80.4-8.9178-73.8-35.1000113.6S75 L77 F81 R211S75-D79 WeakPolarHBondContact O-CB 3.48Å; S75-D79 PolarHBondContact O-N 3.41Å; L77-D79 VanDerWaalsContact C-N 3.32Å; L77-D79 PolarHBondContact O-N 3.29Å; D79-F81 PolarHBondContact O-N 3.14Å; D79-R211 IonicContact OD1-CZ 3.54Å; D79-R211 IonicContact OD1-NH1 3.42Å; D79-R211 PolarHBondContact OD1-NH1 3Å; D79-R211 IonicContact OD1-NH2 2.7Å; D79-R211 PolarHBondContact OD1-NH2 2.81Å
80S95.1Very high94.3Very high58 Ų5837.3 Ų37.341%0.40624%0.239SC..THydrogen-bonded Turntrans-78.7-14.7-176.371.50000115.3G76 L77 A78 V126G76-S80 WeakPolarHBondContact O-CB 3.35Å; G76-S80 PolarHBondContact O-N 3.3Å; L77-S80 WeakPolarHBondContact O-CB 3.31Å; L77-S80 PolarHBondContact O-N 3.2Å; L77-S80 VanDerWaalsContact O-N 3.17Å; L77-S80 PolarHBondContact O-OG 3.42Å; A78-S80 VanDerWaalsContact C-N 3.3Å; A78-S80 PolarHBondContact O-N 3.34Å; S80-V126 WeakPolarHBondContact O-CG2 3.32Å
81F94.9Very high94.4Very high4 Ų439 Ų392%0.01824%0.241CC..  trans-153.9159.4-178.155.5-106.2000111.8I29 K32 F51 F53 L77 D79 D85 V87 V124 V126I29-F81 HydrophobicContact CD1-CB 4.04Å; I29-F81 HydrophobicContact CD1-CD2 3.12Å; I29-F81 HydrophobicContact CD1-CE2 3.61Å; I29-F81 HydrophobicContact CD1-CG 3.7Å; K32-F81 HydrophobicContact CD-CD2 4.21Å; K32-F81 HydrophobicContact CD-CE2 4.03Å; K32-F81 PolarHBondContact NZ-O 3.4Å; F51-F81 HydrophobicContact CE2-CE2 4.04Å; F51-F81 AromaticContact CE2-CZ 3.81Å; F51-F81 HydrophobicContact CE2-CZ 3.81Å; F51-F81 HydrophobicContact CZ-CE2 4.43Å; F51-F81 AromaticContact CZ-CZ 3.77Å; F51-F81 HydrophobicContact CZ-CZ 3.77Å; F53-F81 HydrophobicContact CD1-CE2 4.21Å; F53-F81 HydrophobicContact CD1-CZ 4.01Å; F53-F81 HydrophobicContact CD2-CE2 4.42Å; F53-F81 HydrophobicContact CE1-CE2 4.41Å; F53-F81 AromaticContact CE1-CZ 3.79Å; F53-F81 HydrophobicContact CE1-CZ 3.79Å; F53-F81 HydrophobicContact CE2-CZ 4.38Å; F53-F81 HydrophobicContact CG-CE2 4.21Å; F53-F81 HydrophobicContact CG-CZ 4.39Å; F53-F81 AromaticContact CZ-CZ 3.97Å; F53-F81 HydrophobicContact CZ-CZ 3.97Å; L77-F81 HydrophobicContact CD1-CE1 3.81Å; L77-F81 HydrophobicContact CG-CE1 4Å; L77-F81 HydrophobicContact CG-CZ 4.45Å; L77-F81 VanDerWaalsContact O-CE1 3.3Å; L77-F81 WeakPolarHBondContact O-CE1 3.38Å; D79-F81 PolarHBondContact O-N 3.14Å; F81-D85 WeakPolarHBondContact CA-OD2 3.48Å; F81-D85 HydrophobicContact CB-CB 4.27Å; F81-V87 HydrophobicContact CB-CG1 4.21Å; F81-V87 HydrophobicContact CD1-CG1 4.33Å; F81-V87 HydrophobicContact CG-CG1 4.25Å; F81-V124 HydrophobicContact CD1-CG1 4.28Å; F81-V124 HydrophobicContact CE1-CG1 3.98Å; F81-V126 HydrophobicContact CB-CG2 3.8Å
82S93.3Very high94.6Very high53 Ų5333.8 Ų33.837%0.37122%0.217SC..  trans-125.5170.4179.6-60.20000111.8G84 D85S82-G84 PolarHBondContact O-N 3.11Å; S82-D85 PolarHBondContact N-OD2 3.04Å; S82-D85 WeakPolarHBondContact O-CB 3.47Å; S82-D85 PolarHBondContact O-N 3.32Å; S82-D85 VanDerWaalsContact O-N 3.14Å
83I94.2Very high94.7Very high37 Ų3734.6 Ų34.619%0.1921%0.209CC..THydrogen-bonded Turntrans-59.8131.2168.6-59.8172.1000108.4I29 K32 E212 L216I29-I83 HydrophobicContact CG2-CG1 4.32Å; K32-I83 HydrophobicContact CB-CD1 4.19Å; K32-I83 HydrophobicContact CB-CG1 3.79Å; I83-E212 HydrophobicContact CD1-CB 4.43Å; I83-L216 HydrophobicContact CD1-CD2 4.48Å; I83-L216 HydrophobicContact CG2-CD2 4.35Å
84G91.6Very high94.8Very high22 Ų2232.9 Ų32.923%0.22720%0.202CC..THydrogen-bonded Turntrans102.9-21.8-172.700000114.4V28 I29 S82V28-G84 WeakPolarHBondContact CG2-O 3.29Å; I29-G84 PolarHBondContact O-N 3.36Å; S82-G84 PolarHBondContact O-N 3.11Å
85D93.4Very high94.6Very high56 Ų5634.9 Ų34.930%0.29922%0.216SC..  trans-74.8143.7179.8-69.2-25.6000111.7I29 F81 S82 V126I29-D85 PolarHBondContact N-O 3.33Å; F81-D85 WeakPolarHBondContact CA-OD2 3.48Å; F81-D85 HydrophobicContact CB-CB 4.27Å; S82-D85 PolarHBondContact N-OD2 3.04Å; S82-D85 WeakPolarHBondContact O-CB 3.47Å; S82-D85 PolarHBondContact O-N 3.32Å; S82-D85 VanDerWaalsContact O-N 3.14Å; D85-V126 HydrophobicContact CB-CG1 4.49Å
86C95.4Very high94.5Very high6 Ų637 Ų374%0.04123%0.228CC..EExtended strand (participates in β ladder)trans-90.3125.6171.6-66.30000109.5F26 G27 C127 V131 L134F26-C86 HydrophobicContact CE2-CB 3.92Å; F26-C86 HydrophobicContact CZ-CB 4.13Å; G27-C86 WeakPolarHBondContact O-CA 3.32Å; C86-C127 PolarHBondContact O-N 3.48Å; C86-V131 HydrophobicContact CB-CB 4.26Å; C86-V131 HydrophobicContact CB-CG1 3.56Å; C86-L134 HydrophobicContact CB-CD1 4.36Å
87V96.1Very high94.3Very high0 Ų036.2 Ų36.20%021%0.212CC..EExtended strand (participates in β ladder)trans-122.5145.4-176.1-64.70000112F26 G27 I29 I55 F81 I89 V124 S125 V126F26-V87 WeakPolarHBondContact CA-O 3.3Å; F26-V87 WeakPolarHBondContact CD2-O 2.79Å; G27-V87 PolarHBondContact N-O 2.83Å; G27-V87 VanDerWaalsContact N-O 3.11Å; G27-V87 PolarHBondContact O-N 3.04Å; I29-V87 HydrophobicContact CD1-CG1 3.67Å; I29-V87 HydrophobicContact CD1-CG2 4.19Å; I29-V87 HydrophobicContact CG1-CG1 4.24Å; I29-V87 HydrophobicContact CG1-CG2 3.98Å; I55-V87 HydrophobicContact CG2-CG2 3.96Å; F81-V87 HydrophobicContact CB-CG1 4.21Å; F81-V87 HydrophobicContact CD1-CG1 4.33Å; F81-V87 HydrophobicContact CG-CG1 4.25Å; V87-I89 HydrophobicContact CG2-CG1 4.3Å; V87-V124 HydrophobicContact CB-CG1 3.89Å; V87-V124 HydrophobicContact CG1-CG1 4.15Å; V87-V124 HydrophobicContact CG2-CG1 4.44Å; V87-S125 CarbonylContact C-O 3.43Å; V87-S125 WeakPolarHBondContact CA-O 3.43Å; V87-V126 HydrophobicContact CG1-CG2 4.42Å
88I96.3Very high93.6Very high12 Ų1238.6 Ų38.66%0.06223%0.225CC..EExtended strand (participates in β ladder)trans-102.6123.1167.1-63.6168.6000107.3Y10 K24 V25 F26 E90 V124 S125 C127Y10-I88 HydrophobicContact CE1-CD1 4.09Å; Y10-I88 HydrophobicContact CE1-CG1 4.08Å; Y10-I88 HydrophobicContact CE1-CG2 4.31Å; K24-I88 HydrophobicContact CD-CG2 4.39Å; K24-I88 HydrophobicContact CG-CG2 4.06Å; V25-I88 WeakPolarHBondContact O-CA 3.42Å; F26-I88 HydrophobicContact CD2-CG1 3.64Å; F26-I88 HydrophobicContact CE2-CG1 4.26Å; I88-E90 HydrophobicContact CG2-CG 3.93Å; I88-V124 WeakPolarHBondContact O-CA 3.34Å; I88-S125 PolarHBondContact N-O 2.9Å; I88-S125 PolarHBondContact O-N 2.98Å; I88-C127 HydrophobicContact CD1-CB 3.92Å; I88-C127 HydrophobicContact CG1-CB 4Å
89I96.6Very high92.5Very high0 Ų044.7 Ų44.70%026%0.264CS..EExtended strand (participates in β ladder)trans-107.3118.7175.6-54.7-178.1000108.3K24 V25 F53 I55 V65 V87 P92 L115 L117 V124K24-I89 CarbonylContact C-O 3.56Å; K24-I89 WeakPolarHBondContact CA-O 3.41Å; V25-I89 PolarHBondContact N-O 3.25Å; V25-I89 PolarHBondContact O-N 2.7Å; F53-I89 HydrophobicContact CE2-CD1 3.96Å; F53-I89 HydrophobicContact CZ-CD1 4.09Å; I55-I89 HydrophobicContact CD1-CD1 3.77Å; I55-I89 HydrophobicContact CG2-CD1 4.48Å; V65-I89 HydrophobicContact CG1-CD1 4.22Å; V65-I89 HydrophobicContact CG2-CD1 3.91Å; V87-I89 HydrophobicContact CG2-CG1 4.3Å; I89-P92 HydrophobicContact CG2-CB 3.8Å; I89-P92 HydrophobicContact CG2-CG 3.91Å; I89-L115 HydrophobicContact CD1-CD1 4.22Å; I89-L117 HydrophobicContact CG2-CD2 3.5Å; I89-L117 VanDerWaalsContact CG2-CD2 3.5Å; I89-V124 HydrophobicContact CG1-CG1 4.34Å; I89-V124 HydrophobicContact CG1-CG2 4.38Å
90E95.5Very high91.2Very high47 Ų4747.1 Ų47.122%0.2227%0.272CS..EExtended strand (participates in β ladder)trans-108.7135.9179.8-60.8-174.2127.100110.6K24 I88 P92 S122 Q123K24-E90 HydrophobicContact CD-CG 4.12Å; K24-E90 VanDerWaalsContact CE-OE1 3.26Å; K24-E90 WeakPolarHBondContact CE-OE1 3.12Å; K24-E90 HydrophobicContact CG-CG 4.12Å; K24-E90 IonicContact NZ-OE1 3.02Å; K24-E90 PolarHBondContact NZ-OE1 3.02Å; I88-E90 HydrophobicContact CG2-CG 3.93Å; E90-P92 VanDerWaalsContact C-CD 3.43Å; E90-S122 WeakPolarHBondContact O-CA 3.08Å; E90-Q123 HydrophobicContact CB-CB 4.42Å; E90-Q123 PolarHBondContact N-O 3.3Å; E90-Q123 PolarHBondContact O-N 3.35Å
91N94.4Very high89.9Confident65 Ų6550.7 Ų50.735%0.34828%0.28SS..SBendtrans50.448179.8-54.2-60.4000113.7H22 A23 H121 S122H22-N91 VanDerWaalsContact CA-OD1 3.26Å; H22-N91 WeakPolarHBondContact CA-OD1 3.48Å; H22-N91 PolarHBondContact ND1-OD1 3.47Å; A23-N91 PolarHBondContact O-N 3.33Å; N91-H121 WeakPolarHBondContact CB-O 3.06Å; N91-S122 PolarHBondContact O-OG 2.96Å
92P95.7Very high88.3Confident10 Ų1050.8 Ų50.87%0.06528%0.282CS..  trans-70.5147.4168.432.7-32.4000109.9A23 I89 E90 V94 L115 L117A23-P92 HydrophobicContact CB-CG 4.27Å; A23-P92 WeakPolarHBondContact O-CD 3.49Å; I89-P92 HydrophobicContact CG2-CB 3.8Å; I89-P92 HydrophobicContact CG2-CG 3.91Å; E90-P92 VanDerWaalsContact C-CD 3.43Å; P92-V94 PolarHBondContact O-N 3.38Å; P92-L115 HydrophobicContact CB-CB 4.03Å; P92-L115 HydrophobicContact CB-CD1 4.31Å; P92-L115 HydrophobicContact CB-CD2 4.03Å; P92-L115 HydrophobicContact CB-CG 4.35Å; P92-L115 HydrophobicContact CG-CD1 4.23Å; P92-L115 HydrophobicContact CG-CD2 3.98Å; P92-L117 HydrophobicContact CB-CD2 3.85Å
93L95.1Very high87Confident105 Ų10551 Ų5155%0.5528%0.279SS..EExtended strand (participates in β ladder)trans-78.7114.8166.7172.266.9000109.1L116L93-L116 HydrophobicContact CB-CB 4.09Å; L93-L116 HydrophobicContact CD2-CB 4.4Å; L93-L116 HydrophobicContact CD2-CD1 4.03Å; L93-L116 HydrophobicContact CG-CB 4.47Å; L93-L116 PolarHBondContact N-O 2.82Å; L93-L116 PolarHBondContact O-N 2.82Å
94V95Very high86Confident8 Ų854.7 Ų54.75%0.04829%0.294CS..EExtended strand (participates in β ladder)trans-82.4117.8176.6-173.90000109.2L16 P92 Y113 L115L16-V94 HydrophobicContact CB-CG1 4.35Å; L16-V94 HydrophobicContact CD2-CG2 4.12Å; P92-V94 PolarHBondContact O-N 3.38Å; V94-Y113 HydrophobicContact CG1-CD1 4.41Å; V94-Y113 HydrophobicContact CG1-CG 4.11Å; V94-L115 HydrophobicContact CG2-CD2 3.85Å
95S92.2Very high85.4Confident42 Ų4260.9 Ų60.929%0.29431%0.314SS..EExtended strand (participates in β ladder)trans-123.2140.1-176.5-177.70000111.3Y113 R114S95-Y113 CarbonylContact O-C 3.59Å; S95-Y113 VanDerWaalsContact O-CA 3.25Å; S95-Y113 WeakPolarHBondContact O-CA 3.26Å; S95-R114 PolarHBondContact N-O 2.77Å; S95-R114 PolarHBondContact O-N 2.94Å
96T91.4Very high85.1Confident85 Ų8559.6 Ų59.652%0.52131%0.309SS..EExtended strand (participates in β ladder)trans-68.5134.9173.8-49.10000110.4
97K89Confident84.9Confident26 Ų2659.8 Ų59.811%0.11331%0.311CS..PPolyproline II helixtrans-66.9140.2174.8-66.2176.9176.5179.80110.7P99 D103 T109 S111 H112 Y113 R114K97-P99 WeakPolarHBondContact O-CD 3.42Å; K97-D103 IonicContact NZ-OD1 3.81Å; K97-T109 VanDerWaalsContact CE-OG1 3.3Å; K97-T109 WeakPolarHBondContact CE-OG1 3.42Å; K97-T109 PolarHBondContact NZ-O 3.07Å; K97-T109 PolarHBondContact NZ-OG1 3.38Å; K97-S111 WeakPolarHBondContact CD-O 3.37Å; K97-S111 WeakPolarHBondContact CE-O 3.46Å; K97-S111 PolarHBondContact NZ-O 3.3Å; K97-H112 WeakPolarHBondContact CB-O 3.22Å; K97-H112 WeakPolarHBondContact CG-O 3.27Å; K97-H112 PolarHBondContact N-O 2.87Å; K97-Y113 WeakPolarHBondContact CE-O 3.29Å; K97-R114 HydrophobicContact CG-CB 4.49Å
98D81.9Confident84.7Confident67 Ų6762 Ų6236%0.35833%0.329SS..PPolyproline II helixtrans-72.4121165.4-179.1-37000108.6E100 K101 G102D98-E100 VanDerWaalsContact C-N 3.27Å; D98-E100 PolarHBondContact O-N 3.32Å; D98-E100 PolarHBondContact OD1-N 2.83Å; D98-K101 HydrophobicContact CB-CB 4.36Å; D98-K101 PolarHBondContact OD1-N 3.37Å; D98-G102 WeakPolarHBondContact O-CA 3.4Å; D98-G102 PolarHBondContact O-N 3.18Å
99P71.3Confident84.5Confident132 Ų13262 Ų6286%0.85733%0.33SS*.THydrogen-bonded Turntrans-66.7-23.5-177.524.9-32.3000113.9K97K97-P99 WeakPolarHBondContact O-CD 3.42Å
100E67.3Low84.3Confident155 Ų15564.9 Ų64.972%0.72435%0.348SS*.THydrogen-bonded Turntrans-96.4-28.4-177.4-63.9-171.2168.800113.3D98 K104D98-E100 VanDerWaalsContact C-N 3.27Å; D98-E100 PolarHBondContact O-N 3.32Å; D98-E100 PolarHBondContact OD1-N 2.83Å; E100-K104 VanDerWaalsContact O-CE 3.26Å; E100-K104 WeakPolarHBondContact O-CE 3.24Å
101K67.6Low83.9Confident133 Ų13363 Ų6358%0.57834%0.341SS*.THydrogen-bonded Turntrans-117.3-11.5-175.6-63.9177.4-175.3167.20113.7D98 D103 K104D98-K101 HydrophobicContact CB-CB 4.36Å; D98-K101 PolarHBondContact OD1-N 3.37Å; K101-D103 VanDerWaalsContact C-N 3.34Å; K101-D103 PolarHBondContact O-N 3.04Å; K101-K104 PolarHBondContact O-N 2.89Å
102G60.4Low83.7Confident5 Ų566.9 Ų66.95%0.05236%0.356CS..THydrogen-bonded Turntrans-64-35.9-160.500000115.1D98 C106 R114D98-G102 WeakPolarHBondContact O-CA 3.4Å; D98-G102 PolarHBondContact O-N 3.18Å; G102-C106 PolarHBondContact O-SG 3.27Å; G102-R114 PolarHBondContact O-NH2 3.49Å
103D66.8Low83.6Confident57 Ų5769.4 Ų69.431%0.30537%0.365SS..THydrogen-bonded Turntrans-116.616.6-172.9-59.1-19.5000111.9K97 K101 F105 K250K97-D103 IonicContact NZ-OD1 3.81Å; K101-D103 VanDerWaalsContact C-N 3.34Å; K101-D103 PolarHBondContact O-N 3.04Å; D103-F105 PolarHBondContact O-N 2.92Å; D103-K250 WeakPolarHBondContact O-CE 3.38Å; D103-K250 PolarHBondContact O-NZ 2.97Å
104K74.1Confident83.5Confident116 Ų11666.8 Ų66.850%0.50435%0.348SS..SBendtrans-64.8-24.7-179-83.2-173.6177.8173.90113.5E100 K101 K250E100-K104 VanDerWaalsContact O-CE 3.26Å; E100-K104 WeakPolarHBondContact O-CE 3.24Å; K101-K104 PolarHBondContact O-N 2.89Å; K104-K250 WeakPolarHBondContact O-CE 3.43Å; K104-K250 PolarHBondContact O-NZ 2.8Å
105F78.9Confident83.6Confident151 Ų15166.4 Ų66.466%0.66235%0.345SS*.SBendtrans-133.17.2-173.3-56.6-70.3000114.5D103 S249D103-F105 PolarHBondContact O-N 2.92Å; F105-S249 WeakPolarHBondContact O-CB 3.46Å; F105-S249 PolarHBondContact O-OG 2.89Å
106C86.8Confident83.7Confident29 Ų2966.1 Ų66.120%0.19634%0.34CS..SBendtrans-137.9165.9179.652.50000110.1N64 G102N64-C106 PolarHBondContact ND2-SG 3.37Å; G102-C106 PolarHBondContact O-SG 3.27Å
107P90.9Very high83.9Confident10 Ų1062.1 Ų62.17%0.06532%0.316CS..  trans-59144.5177.7-23.335000111.6N64 T109 S249 I252N64-P107 PolarHBondContact ND2-O 3.21Å; P107-T109 PolarHBondContact O-N 2.95Å; P107-S249 WeakPolarHBondContact CD-O 3.38Å; P107-I252 HydrophobicContact CB-CD1 3.55Å; P107-I252 HydrophobicContact CB-CG1 3.95Å; P107-I252 HydrophobicContact CG-CD1 3.77Å; P107-I252 HydrophobicContact CG-CG1 3.78Å
108A90.9Very high84Confident46 Ų4663.1 Ų63.138%0.3832%0.324SS..  trans-68.5126.4170.300000108.7F62F62-A108 WeakPolarHBondContact CE2-O 3.3Å
109T92.8Very high84.4Confident14 Ų1465.2 Ų65.29%0.08633%0.332CS..  trans-124.4146.8-177.557.70000111.2T54 F62 N64 K97 P107 S111T54-T109 HydrophobicContact CG2-CG2 4.12Å; F62-T109 HydrophobicContact CD2-CG2 3.46Å; F62-T109 VanDerWaalsContact CD2-CG2 3.46Å; F62-T109 HydrophobicContact CE2-CG2 3.57Å; F62-T109 WeakPolarHBondContact O-CB 3.49Å; N64-T109 VanDerWaalsContact OD1-CG2 3.32Å; N64-T109 WeakPolarHBondContact OD1-CG2 3.1Å; K97-T109 VanDerWaalsContact CE-OG1 3.3Å; K97-T109 WeakPolarHBondContact CE-OG1 3.42Å; K97-T109 PolarHBondContact NZ-O 3.07Å; K97-T109 PolarHBondContact NZ-OG1 3.38Å; P107-T109 PolarHBondContact O-N 2.95Å; T109-S111 VanDerWaalsContact C-N 3.28Å; T109-S111 PolarHBondContact O-N 2.98Å
110P91.6Very high85.1Confident59 Ų5964.1 Ų64.138%0.38332%0.323SS..SBendtrans-69.3-23.8-174.425.3-34.1000113.2E60 F62E60-P110 VanDerWaalsContact O-CG 3.24Å; E60-P110 WeakPolarHBondContact O-CG 3.34Å; F62-P110 HydrophobicContact CD1-CG 3.77Å; F62-P110 HydrophobicContact CE1-CG 3.68Å; F62-P110 HydrophobicContact CG-CG 4.37Å; F62-P110 HydrophobicContact CZ-CG 4.22Å
111S88.3Confident86.1Confident9 Ų963.1 Ų63.16%0.06332%0.318CS..SBendtrans-66.6141.4175.9-175.30000111.8K97 T109 Y113K97-S111 WeakPolarHBondContact CD-O 3.37Å; K97-S111 WeakPolarHBondContact CE-O 3.46Å; K97-S111 PolarHBondContact NZ-O 3.3Å; T109-S111 VanDerWaalsContact C-N 3.28Å; T109-S111 PolarHBondContact O-N 2.98Å; S111-Y113 PolarHBondContact O-N 3.46Å; S111-Y113 PolarHBondContact OG-N 3.35Å; S111-Y113 VanDerWaalsContact OG-N 3.12Å
112H89.8Confident87.3Confident146 Ų14657.3 Ų57.368%0.67629%0.294SS*.SBendtrans-75.6-6.3169-65.3-64.2000113.2K97K97-H112 WeakPolarHBondContact CB-O 3.22Å; K97-H112 WeakPolarHBondContact CG-O 3.27Å; K97-H112 PolarHBondContact N-O 2.87Å
113Y93.1Very high88.9Confident62 Ų6262.7 Ų62.724%0.24332%0.318CS..EExtended strand (participates in β ladder)trans-114166.7-174.8-51.2-66.3000111.5L16 H17 P18 I63 V94 S95 K97 S111L16-Y113 WeakPolarHBondContact O-CD2 3.49Å; L16-Y113 WeakPolarHBondContact O-CE2 3.26Å; H17-Y113 HydrophobicContact CB-CE2 4.4Å; P18-Y113 VanDerWaalsContact CD-CE1 3.42Å; P18-Y113 HydrophobicContact CG-CD1 4.09Å; P18-Y113 HydrophobicContact CG-CE1 3.83Å; I63-Y113 WeakPolarHBondContact CD1-O 3.46Å; I63-Y113 WeakPolarHBondContact CG1-O 3.34Å; V94-Y113 HydrophobicContact CG1-CD1 4.41Å; V94-Y113 HydrophobicContact CG1-CG 4.11Å; S95-Y113 CarbonylContact O-C 3.59Å; S95-Y113 VanDerWaalsContact O-CA 3.25Å; S95-Y113 WeakPolarHBondContact O-CA 3.26Å; K97-Y113 WeakPolarHBondContact CE-O 3.29Å; S111-Y113 PolarHBondContact O-N 3.46Å; S111-Y113 PolarHBondContact OG-N 3.35Å; S111-Y113 VanDerWaalsContact OG-N 3.12Å
114R94Very high90.3Very high50 Ų5061 Ų6119%0.18931%0.309CS..EExtended strand (participates in β ladder)trans-134.9155.4169.468.8-17668.2-154.9-12.5108.9N64 S95 K97 G102N64-R114 WeakPolarHBondContact O-CA 3.49Å; S95-R114 PolarHBondContact N-O 2.77Å; S95-R114 PolarHBondContact O-N 2.94Å; K97-R114 HydrophobicContact CG-CB 4.49Å; G102-R114 PolarHBondContact O-NH2 3.49Å
115L95.6Very high91.2Very high0 Ų057.6 Ų57.60%030%0.3CS..EExtended strand (participates in β ladder)trans-99.3133.3174.1-58.6-175.8000110L16 V25 I55 I63 N64 V65 S66 I89 P92 V94L16-L115 HydrophobicContact CD1-CD2 3.96Å; V25-L115 HydrophobicContact CG2-CD1 4.27Å; I55-L115 HydrophobicContact CD1-CD1 4.37Å; I63-L115 HydrophobicContact CD1-CD2 4.28Å; I63-L115 HydrophobicContact CD1-CG 4.05Å; I63-L115 HydrophobicContact CG2-CD1 4.22Å; I63-L115 HydrophobicContact CG2-CG 4.4Å; N64-L115 PolarHBondContact O-N 2.82Å; V65-L115 CarbonylContact C-O 3.59Å; V65-L115 WeakPolarHBondContact CA-O 3.46Å; V65-L115 HydrophobicContact CB-CB 4.35Å; V65-L115 HydrophobicContact CG1-CB 4Å; V65-L115 HydrophobicContact CG2-CB 4.09Å; V65-L115 HydrophobicContact CG2-CD1 4.16Å; V65-L115 HydrophobicContact CG2-CG 4.5Å; S66-L115 PolarHBondContact N-O 2.89Å; I89-L115 HydrophobicContact CD1-CD1 4.22Å; P92-L115 HydrophobicContact CB-CB 4.03Å; P92-L115 HydrophobicContact CB-CD1 4.31Å; P92-L115 HydrophobicContact CB-CD2 4.03Å; P92-L115 HydrophobicContact CB-CG 4.35Å; P92-L115 HydrophobicContact CG-CD1 4.23Å; P92-L115 HydrophobicContact CG-CD2 3.98Å; V94-L115 HydrophobicContact CG2-CD2 3.85Å
116L94.9Very high91.9Very high36 Ų3653.8 Ų53.819%0.18829%0.289CS..EExtended strand (participates in β ladder)trans-113.7127.1174.7-62.2174.7000109.2S66 L93S66-L116 WeakPolarHBondContact O-CA 3.05Å; L93-L116 HydrophobicContact CB-CB 4.09Å; L93-L116 HydrophobicContact CD2-CB 4.4Å; L93-L116 HydrophobicContact CD2-CD1 4.03Å; L93-L116 HydrophobicContact CG-CB 4.47Å; L93-L116 PolarHBondContact N-O 2.82Å; L93-L116 PolarHBondContact O-N 2.82Å
117L95.6Very high91.9Very high1 Ų153.3 Ų53.31%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-105.9132.4177.7-50.3-179.7000109.9F53 V65 S66 A67 W68 L77 I89 P92 V124F53-L117 HydrophobicContact CE1-CD1 3.9Å; F53-L117 HydrophobicContact CZ-CD1 3.84Å; V65-L117 HydrophobicContact CG1-CD1 3.6Å; V65-L117 HydrophobicContact CG1-CD2 4.13Å; V65-L117 HydrophobicContact CG1-CG 3.63Å; S66-L117 PolarHBondContact O-N 2.92Å; A67-L117 HydrophobicContact CB-CB 4.09Å; A67-L117 HydrophobicContact CB-CD1 4.39Å; W68-L117 PolarHBondContact N-O 2.84Å; L77-L117 HydrophobicContact CD2-CD1 4.28Å; I89-L117 HydrophobicContact CG2-CD2 3.5Å; I89-L117 VanDerWaalsContact CG2-CD2 3.5Å; P92-L117 HydrophobicContact CB-CD2 3.85Å; L117-V124 HydrophobicContact CD1-CG2 3.51Å
118T91.6Very high91.1Very high47 Ų4756.1 Ų56.129%0.28832%0.317SS..EExtended strand (participates in β ladder)trans-127.3142176.859.90000110.2T120 H121 S122T118-T120 PolarHBondContact O-N 3.37Å; T118-T120 VanDerWaalsContact O-N 3.1Å; T118-H121 PolarHBondContact O-N 2.95Å; T118-S122 PolarHBondContact N-OG 2.98Å; T118-S122 PolarHBondContact O-N 3.36Å
119E89.2Confident90.3Very high111 Ų11160.6 Ų60.652%0.51934%0.335SS..THydrogen-bonded Turntrans-51.7-33.7-178.8-175171178.400114.2G70 F73G70-E119 PolarHBondContact N-OE2 3.32Å; F73-E119 HydrophobicContact CB-CB 4.46Å; F73-E119 HydrophobicContact CB-CG 3.94Å; F73-E119 HydrophobicContact CD1-CB 3.8Å; F73-E119 HydrophobicContact CD1-CG 4.18Å; F73-E119 HydrophobicContact CD2-CB 4.13Å; F73-E119 HydrophobicContact CD2-CG 3.84Å; F73-E119 HydrophobicContact CE1-CB 4.02Å; F73-E119 HydrophobicContact CE2-CB 4.34Å; F73-E119 HydrophobicContact CE2-CG 4.41Å; F73-E119 HydrophobicContact CG-CB 3.86Å; F73-E119 HydrophobicContact CG-CG 3.71Å; F73-E119 HydrophobicContact CZ-CB 4.28Å
120T87.4Confident89.2Confident109 Ų10962.3 Ų62.367%0.66936%0.355SS*.THydrogen-bonded Turntrans-86.1-19-17452.20000114.7T118T118-T120 PolarHBondContact O-N 3.37Å; T118-T120 VanDerWaalsContact O-N 3.1Å
121H87.8Confident88.8Confident134 Ų13461 Ų6162%0.6235%0.346SS*.THydrogen-bonded Turntrans-132.2-23.6-167.3-60.4-54.1000114.5N91 T118N91-H121 WeakPolarHBondContact CB-O 3.06Å; T118-H121 PolarHBondContact O-N 2.95Å
122S93.7Very high88.6Confident12 Ų1268.5 Ų68.58%0.08438%0.38CS..  trans-110.8143.4-172-50.70000111.1E90 N91 T118E90-S122 WeakPolarHBondContact O-CA 3.08Å; N91-S122 PolarHBondContact O-OG 2.96Å; T118-S122 PolarHBondContact N-OG 2.98Å; T118-S122 PolarHBondContact O-N 3.36Å
123Q93.3Very high88.4Confident118 Ų11868.8 Ų68.855%0.55138%0.375SS*.EExtended strand (participates in β ladder)trans-129143.2175.8-173.4171.68.500109.8E90E90-Q123 HydrophobicContact CB-CB 4.42Å; E90-Q123 PolarHBondContact N-O 3.3Å; E90-Q123 PolarHBondContact O-N 3.35Å
124V95.9Very high88.3Confident20 Ų2066.1 Ų66.112%0.12137%0.365CS..EExtended strand (participates in β ladder)trans-125137.4170.8-170.90000108.1L77 F81 V87 I88 I89 L117L77-V124 HydrophobicContact CD1-CB 3.74Å; L77-V124 HydrophobicContact CD1-CG2 3.91Å; L77-V124 HydrophobicContact CD2-CG2 4.5Å; F81-V124 HydrophobicContact CD1-CG1 4.28Å; F81-V124 HydrophobicContact CE1-CG1 3.98Å; V87-V124 HydrophobicContact CB-CG1 3.89Å; V87-V124 HydrophobicContact CG1-CG1 4.15Å; V87-V124 HydrophobicContact CG2-CG1 4.44Å; I88-V124 WeakPolarHBondContact O-CA 3.34Å; I89-V124 HydrophobicContact CG1-CG1 4.34Å; I89-V124 HydrophobicContact CG1-CG2 4.38Å; L117-V124 HydrophobicContact CD1-CG2 3.51Å
125S94Very high88Confident45 Ų4567.4 Ų67.432%0.31538%0.375SS..EExtended strand (participates in β ladder)trans-136.9141.9174.2540000110.1V87 I88V87-S125 CarbonylContact C-O 3.43Å; V87-S125 WeakPolarHBondContact CA-O 3.43Å; I88-S125 PolarHBondContact N-O 2.9Å; I88-S125 PolarHBondContact O-N 2.98Å
126V93.1Very high87.8Confident71 Ų7170.7 Ų70.743%0.4340%0.396SS..EExtended strand (participates in β ladder)trans-73.7132.1171.2-179.20000108.4S80 F81 D85 V87S80-V126 WeakPolarHBondContact O-CG2 3.32Å; F81-V126 HydrophobicContact CB-CG2 3.8Å; D85-V126 HydrophobicContact CB-CG1 4.49Å; V87-V126 HydrophobicContact CG1-CG2 4.42Å
127C86.9Confident87.7Confident20 Ų2069.8 Ų69.814%0.13539%0.392CS..  trans-101.5127.9-179.5-165.60000110.4F26 C86 I88 D129 V131F26-C127 HydrophobicContact CD2-CB 4.38Å; F26-C127 HydrophobicContact CE2-CB 3.6Å; F26-C127 HydrophobicContact CZ-CB 4.38Å; C86-C127 PolarHBondContact O-N 3.48Å; I88-C127 HydrophobicContact CD1-CB 3.92Å; I88-C127 HydrophobicContact CG1-CB 4Å; C127-D129 PolarHBondContact SG-O 2.84Å; C127-V131 WeakPolarHBondContact O-CG1 3.37Å
128G74.4Confident87.5Confident69 Ų6971.9 Ų71.971%0.71140%0.403SS*.  trans-89.2-22.7171.800000114
129D73.1Confident87.6Confident140 Ų14072.8 Ų72.875%0.74940%0.404SS*.SBendtrans-101.5140.7-171.2-68.9-26.7000112C127 V131C127-D129 PolarHBondContact SG-O 2.84Å; D129-V131 PolarHBondContact O-N 2.89Å
130G69.2Low87.9Confident50 Ų5069.8 Ų69.852%0.51539%0.391SS..SBendtrans67.920.717500000114.7E132 R133G130-E132 VanDerWaalsContact C-N 3.35Å; G130-R133 WeakPolarHBondContact O-CG 3.23Å; G130-R133 PolarHBondContact O-NE 2.79Å
131V83.3Confident88.2Confident32 Ų3265.4 Ų65.419%0.19436%0.364CS..G310 helixtrans-73.7-24177.8-61.10000113.1F26 C86 C127 D129 R133 L134 L135F26-V131 HydrophobicContact CZ-CG1 4.45Å; C86-V131 HydrophobicContact CB-CB 4.26Å; C86-V131 HydrophobicContact CB-CG1 3.56Å; C127-V131 WeakPolarHBondContact O-CG1 3.37Å; D129-V131 PolarHBondContact O-N 2.89Å; V131-R133 PolarHBondContact O-N 3.36Å; V131-L134 PolarHBondContact O-N 2.95Å; V131-L135 HydrophobicContact CG2-CD1 4.47Å; V131-L135 WeakPolarHBondContact O-CG 3.15Å; V131-L135 PolarHBondContact O-N 3.31Å; V131-L135 VanDerWaalsContact O-N 3.15Å
132E84.3Confident88.5Confident166 Ų16660 Ų6078%0.77634%0.341SS*.G310 helixtrans-54.6-31.7-175.7-62.4-173.9170.600113.3G130 L134 P136G130-E132 VanDerWaalsContact C-N 3.35Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-P136 WeakPolarHBondContact O-CD 3.3Å
133R87Confident88.6Confident152 Ų15262.2 Ų62.257%0.57435%0.349SS*.G310 helixtrans-73.2-23.5177.370.5-174.7165164.2-1.2114.1F26 G130 V131F26-R133 VanDerWaalsContact CE1-NH2 3.33Å; G130-R133 WeakPolarHBondContact O-CG 3.23Å; G130-R133 PolarHBondContact O-NE 2.79Å; V131-R133 PolarHBondContact O-N 3.36Å
134L89Confident88.5Confident5 Ų561.6 Ų61.63%0.02635%0.349CS..THydrogen-bonded Turntrans-97.2-28.1-176.4-63.4-175.2000112.6F26 V28 C86 V131 E132 P136 L137F26-L134 HydrophobicContact CD1-CD1 3.64Å; F26-L134 HydrophobicContact CD1-CG 4.36Å; F26-L134 HydrophobicContact CD2-CD1 4.35Å; F26-L134 HydrophobicContact CE1-CD1 3.26Å; F26-L134 HydrophobicContact CE1-CG 3.83Å; F26-L134 HydrophobicContact CE2-CD1 4Å; F26-L134 HydrophobicContact CG-CD1 4.21Å; F26-L134 HydrophobicContact CZ-CD1 3.48Å; F26-L134 VanDerWaalsContact CZ-CD1 3.48Å; F26-L134 HydrophobicContact CZ-CG 4.32Å; V28-L134 HydrophobicContact CB-CB 4.08Å; V28-L134 HydrophobicContact CB-CD1 4.43Å; V28-L134 HydrophobicContact CG1-CB 4.26Å; C86-L134 HydrophobicContact CB-CD1 4.36Å; V131-L134 PolarHBondContact O-N 2.95Å; E132-L134 VanDerWaalsContact C-N 3.34Å; L134-P136 VanDerWaalsContact C-CD 3.49Å; L134-L137 HydrophobicContact CD2-CD1 3.73Å; L134-L137 WeakPolarHBondContact O-CB 3.39Å; L134-L137 WeakPolarHBondContact O-CG 3.41Å; L134-L137 PolarHBondContact O-N 3.46Å
135L88.4Confident88.1Confident78 Ų7862.3 Ų62.341%0.40836%0.355SS..G310 helixtrans-54.6-42.7-178.5-64.9177.6000113.6V131 L137 L138V131-L135 HydrophobicContact CG2-CD1 4.47Å; V131-L135 WeakPolarHBondContact O-CG 3.15Å; V131-L135 PolarHBondContact O-N 3.31Å; V131-L135 VanDerWaalsContact O-N 3.15Å; L135-L137 PolarHBondContact O-N 3.26Å; L135-L137 VanDerWaalsContact O-N 3.12Å; L135-L138 HydrophobicContact CD2-CD1 4.29Å; L135-L138 WeakPolarHBondContact O-CB 3.22Å; L135-L138 PolarHBondContact O-N 3.43Å; L135-L138 VanDerWaalsContact O-N 3.13Å
136P91.4Very high87.9Confident68 Ų6868.5 Ų68.544%0.44237%0.371SS..G310 helixtrans-59.7-25.6176.4-25.235.6000113.7E132 L134 L138 H139E132-P136 WeakPolarHBondContact O-CD 3.3Å; L134-P136 VanDerWaalsContact C-CD 3.49Å; P136-L138 PolarHBondContact O-N 3.17Å; P136-H139 PolarHBondContact O-N 3.14Å; P136-H139 VanDerWaalsContact O-N 3.17Å
137L93.6Very high88Confident18 Ų1869.1 Ų69.19%0.09437%0.372CS..G310 helixtrans-69.3-17.2-178.7-51.6177.8000113.1V28 R56 D57 L134 L135 H139 L140V28-L137 HydrophobicContact CG1-CB 4.31Å; R56-L137 HydrophobicContact CG-CB 4.31Å; R56-L137 HydrophobicContact CG-CD1 4.31Å; R56-L137 PolarHBondContact NH1-O 3.3Å; R56-L137 VanDerWaalsContact NH1-O 3.13Å; D57-L137 VanDerWaalsContact C-CD1 3.43Å; D57-L137 WeakPolarHBondContact O-CD1 3.32Å; L134-L137 HydrophobicContact CD2-CD1 3.73Å; L134-L137 WeakPolarHBondContact O-CB 3.39Å; L134-L137 WeakPolarHBondContact O-CG 3.41Å; L134-L137 PolarHBondContact O-N 3.46Å; L135-L137 PolarHBondContact O-N 3.26Å; L135-L137 VanDerWaalsContact O-N 3.12Å; L137-H139 PolarHBondContact O-N 3.32Å; L137-L140 HydrophobicContact CD2-CD1 3.82Å; L137-L140 PolarHBondContact O-N 2.86Å
138L91.3Very high88.4Confident45 Ų4571.1 Ų71.124%0.23638%0.379CS..G310 helixtrans-66.9-26.8173.6-70.8172000112.7V28 I30 L135 P136 T254V28-L138 HydrophobicContact CG1-CD2 4.34Å; V28-L138 HydrophobicContact CG1-CG 4.49Å; V28-L138 HydrophobicContact CG2-CD1 4.1Å; V28-L138 HydrophobicContact CG2-CD2 3.59Å; V28-L138 HydrophobicContact CG2-CG 3.84Å; I30-L138 HydrophobicContact CG2-CD2 4.21Å; L135-L138 HydrophobicContact CD2-CD1 4.29Å; L135-L138 WeakPolarHBondContact O-CB 3.22Å; L135-L138 PolarHBondContact O-N 3.43Å; L135-L138 VanDerWaalsContact O-N 3.13Å; P136-L138 PolarHBondContact O-N 3.17Å; L138-T254 WeakPolarHBondContact O-CG2 3.46Å
139H93.8Very high89.4Confident66 Ų6672.4 Ų72.431%0.30636%0.363SS..G310 helixtrans-920.3-179.8-60.6-63.8000112.6P136 L137 V255 N256 P257 D258P136-H139 PolarHBondContact O-N 3.14Å; P136-H139 VanDerWaalsContact O-N 3.17Å; L137-H139 PolarHBondContact O-N 3.32Å; H139-V255 PolarHBondContact ND1-O 2.84Å; H139-N256 PolarHBondContact ND1-O 3.01Å; H139-N256 VanDerWaalsContact ND1-O 3.12Å; H139-P257 CarbonylContact O-C 3.53Å; H139-P257 WeakPolarHBondContact O-CA 3.44Å; H139-D258 HydrophobicContact CB-CB 4.24Å; H139-D258 WeakPolarHBondContact CB-OD2 3.33Å; H139-D258 PolarHBondContact O-N 3.42Å
140L94.7Very high90.2Very high48 Ų4867 Ų6725%0.25134%0.336SS..SBendtrans-90.9127.4176-63.3-180000110R56 A59 L137 T254R56-L140 PolarHBondContact NH1-O 3.31Å; A59-L140 HydrophobicContact CB-CD1 3.85Å; L137-L140 HydrophobicContact CD2-CD1 3.82Å; L137-L140 PolarHBondContact O-N 2.86Å; L140-T254 PolarHBondContact O-OG1 2.85Å
141P94.9Very high91.2Very high17 Ų1764.6 Ų64.611%0.1131%0.312CS..  trans-56.9154.6168.9-26.836000112.6R56 K143 F228 P257 T259R56-P141 PolarHBondContact NH2-O 2.84Å; P141-K143 WeakPolarHBondContact CB-O 3.45Å; P141-F228 HydrophobicContact CB-CD1 3.92Å; P141-F228 HydrophobicContact CB-CE1 4.03Å; P141-F228 HydrophobicContact CB-CG 4.31Å; P141-F228 HydrophobicContact CB-CZ 4.49Å; P141-F228 HydrophobicContact CG-CD1 4.46Å; P141-F228 HydrophobicContact CG-CG 4.36Å; P141-P257 HydrophobicContact CG-CB 3.98Å; P141-T259 HydrophobicContact CG-CG2 3.77Å
142V94.4Very high90.8Very high21 Ų2164.8 Ų64.813%0.12732%0.316CS..SBendtrans-93.1-2.1172.7-64.30000113.2I30 F62 A230 I252I30-V142 HydrophobicContact CD1-CG1 3.72Å; F62-V142 HydrophobicContact CE1-CB 4.23Å; F62-V142 HydrophobicContact CE1-CG1 4.35Å; F62-V142 HydrophobicContact CE2-CB 4.17Å; F62-V142 HydrophobicContact CE2-CG1 4.2Å; F62-V142 HydrophobicContact CZ-CB 3.75Å; F62-V142 HydrophobicContact CZ-CG1 4.09Å; V142-A230 HydrophobicContact CG2-CB 3.58Å; V142-I252 HydrophobicContact CB-CD1 4.46Å; V142-I252 HydrophobicContact CG1-CD1 4Å; V142-I252 HydrophobicContact CG1-CG2 3.91Å; V142-I252 HydrophobicContact CG2-CB 3.88Å; V142-I252 HydrophobicContact CG2-CD1 4.11Å; V142-I252 HydrophobicContact CG2-CG2 3.97Å
143K94.8Very high90.6Very high58 Ų5860.8 Ų60.825%0.25230%0.3SS..SBendtrans-125.6171.5175.4-57.7-68.1-179.4159.70108.9P141 S145 F228 A230 D231P141-K143 WeakPolarHBondContact CB-O 3.45Å; K143-S145 PolarHBondContact O-N 2.89Å; K143-F228 HydrophobicContact CB-CE1 4.01Å; K143-F228 HydrophobicContact CB-CZ 4.04Å; K143-F228 HydrophobicContact CG-CE1 4.38Å; K143-A230 HydrophobicContact CG-CB 3.93Å; K143-D231 VanDerWaalsContact CE-CG 3.5Å; K143-D231 WeakPolarHBondContact CE-OD1 3.24Å; K143-D231 WeakPolarHBondContact CE-OD2 3.18Å; K143-D231 VanDerWaalsContact NZ-CG 3.33Å; K143-D231 IonicContact NZ-OD1 2.7Å; K143-D231 PolarHBondContact NZ-OD1 3.06Å; K143-D231 VanDerWaalsContact NZ-OD1 3.1Å; K143-D231 IonicContact NZ-OD2 3.3Å; K143-D231 PolarHBondContact NZ-OD2 3.1Å
144D91.9Very high90.6Very high105 Ų10553.6 Ų53.656%0.56127%0.273SS*.  trans-56.6132.9170.4-170.8-53.2000109.5R146 D147D144-R146 PolarHBondContact O-N 3.07Å; D144-R146 VanDerWaalsContact O-N 3.13Å; D144-R146 WeakPolarHBondContact OD1-CB 3.22Å; D144-R146 PolarHBondContact OD1-N 2.76Å; D144-D147 HydrophobicContact CB-CB 3.89Å; D144-D147 PolarHBondContact O-N 2.92Å
145S87.8Confident89.9Confident34 Ų3457 Ų5724%0.23829%0.294CS..THydrogen-bonded Turntrans-66.5-13.8-176.467.80000113.7K143 F148K143-S145 PolarHBondContact O-N 2.89Å; S145-F148 VanDerWaalsContact O-CD1 3.29Å; S145-F148 WeakPolarHBondContact O-CD1 3.23Å; S145-F148 VanDerWaalsContact O-CE1 3.31Å; S145-F148 WeakPolarHBondContact O-CE1 3.19Å
146R89.5Confident89.2Confident176 Ų17657.3 Ų57.366%0.66431%0.308SS*.THydrogen-bonded Turntrans-100.5-10.5175.9-57.8-178.5-177.7168.85.6112.9D144 F148D144-R146 PolarHBondContact O-N 3.07Å; D144-R146 VanDerWaalsContact O-N 3.13Å; D144-R146 WeakPolarHBondContact OD1-CB 3.22Å; D144-R146 PolarHBondContact OD1-N 2.76Å; R146-F148 VanDerWaalsContact C-N 3.29Å; R146-F148 PolarHBondContact O-N 3.3Å; R146-F148 VanDerWaalsContact O-N 3.09Å
147D94.2Very high88.4Confident84 Ų8457.1 Ų57.145%0.44930%0.303SS..  trans-83.776.8175.617929000109.1D144 N167D144-D147 HydrophobicContact CB-CB 3.89Å; D144-D147 PolarHBondContact O-N 2.92Å; D147-N167 WeakPolarHBondContact O-CB 3.42Å; D147-N167 PolarHBondContact O-ND2 3.45Å; D147-N167 PolarHBondContact OD2-ND2 3.35Å
148F95.6Very high87.5Confident62 Ų6256.9 Ų56.927%0.27231%0.305SS..  trans-147.6156.8170.567.2-89.4000110.7S145 R146 N167 L169 F228 E261S145-F148 VanDerWaalsContact O-CD1 3.29Å; S145-F148 WeakPolarHBondContact O-CD1 3.23Å; S145-F148 VanDerWaalsContact O-CE1 3.31Å; S145-F148 WeakPolarHBondContact O-CE1 3.19Å; R146-F148 VanDerWaalsContact C-N 3.29Å; R146-F148 PolarHBondContact O-N 3.3Å; R146-F148 VanDerWaalsContact O-N 3.09Å; F148-N167 WeakPolarHBondContact CA-O 3.29Å; F148-N167 HydrophobicContact CB-CB 4.21Å; F148-L169 HydrophobicContact CB-CB 4.48Å; F148-L169 HydrophobicContact CD1-CB 4.2Å; F148-L169 HydrophobicContact CD2-CB 3.76Å; F148-L169 HydrophobicContact CE1-CB 4.39Å; F148-L169 HydrophobicContact CE1-CD2 4.04Å; F148-L169 HydrophobicContact CE2-CB 3.97Å; F148-L169 HydrophobicContact CE2-CD2 4.33Å; F148-L169 HydrophobicContact CG-CB 3.89Å; F148-L169 HydrophobicContact CZ-CB 4.28Å; F148-L169 HydrophobicContact CZ-CD2 3.91Å; F148-F228 HydrophobicContact CB-CE2 4.07Å; F148-F228 HydrophobicContact CD1-CE2 4.33Å; F148-E261 HydrophobicContact CE1-CB 4.27Å; F148-E261 HydrophobicContact CE1-CG 4.2Å; F148-E261 HydrophobicContact CZ-CB 4.4Å; F148-E261 HydrophobicContact CZ-CG 4.43Å
149Y94.6Very high87Confident95 Ų9560.9 Ų60.937%0.37332%0.323SS..BIsolated β-bridgetrans-94.3136.9170.7-78.3-108.6000109.7D153 I166 N167Y149-D153 HydrophobicContact CD1-CB 4.19Å; Y149-I166 HydrophobicContact CD1-CD1 4.5Å; Y149-I166 HydrophobicContact CD2-CB 3.93Å; Y149-I166 HydrophobicContact CD2-CD1 4Å; Y149-I166 HydrophobicContact CD2-CG1 4.44Å; Y149-I166 HydrophobicContact CD2-CG2 4.12Å; Y149-I166 HydrophobicContact CE2-CB 4.24Å; Y149-I166 HydrophobicContact CE2-CG2 3.96Å; Y149-I166 HydrophobicContact CG-CD1 3.91Å; Y149-N167 PolarHBondContact N-O 3.08Å
150S90.9Very high86.4Confident27 Ų2765.6 Ų65.619%0.18935%0.345CS..  trans-64.9153.8167.1740000110A152 D153 I154S150-A152 PolarHBondContact O-N 3.49Å; S150-D153 PolarHBondContact O-N 3.34Å; S150-D153 WeakPolarHBondContact OG-CB 3.26Å; S150-D153 PolarHBondContact OG-N 2.86Å; S150-D153 VanDerWaalsContact OG-N 3.09Å; S150-D153 PolarHBondContact OG-OD2 2.84Å; S150-I154 WeakPolarHBondContact O-CG1 3.31Å; S150-I154 PolarHBondContact O-N 3.12Å
151L89.1Confident86.1Confident0 Ų064.2 Ų64.20%034%0.338CS..Hα-helixtrans-63.6-34.4178.1-63.9-178.8000111.4I154 V155 V168 A170 D198 V201 F204L151-I154 HydrophobicContact CD2-CD1 4.26Å; L151-I154 PolarHBondContact O-N 2.87Å; L151-V155 WeakPolarHBondContact O-CG2 3.38Å; L151-V155 PolarHBondContact O-N 2.77Å; L151-V168 HydrophobicContact CD2-CG1 3.68Å; L151-A170 HydrophobicContact CD1-CB 4.02Å; L151-A170 HydrophobicContact CD2-CB 4.36Å; L151-A170 HydrophobicContact CG-CB 4.34Å; L151-D198 VanDerWaalsContact CB-OD2 3.26Å; L151-D198 WeakPolarHBondContact CB-OD2 3.24Å; L151-D198 HydrophobicContact CD1-CB 4.12Å; L151-D198 HydrophobicContact CG-CB 4.41Å; L151-D198 VanDerWaalsContact CG-OD2 3.27Å; L151-D198 WeakPolarHBondContact CG-OD2 3.47Å; L151-D198 PolarHBondContact N-OD2 2.65Å; L151-V201 HydrophobicContact CB-CB 3.59Å; L151-V201 HydrophobicContact CB-CG1 4.28Å; L151-V201 HydrophobicContact CB-CG2 3.69Å; L151-V201 HydrophobicContact CD1-CB 4.18Å; L151-F204 HydrophobicContact CD1-CB 3.82Å; L151-F204 HydrophobicContact CD2-CB 3.97Å; L151-F204 HydrophobicContact CD2-CD1 3.88Å; L151-F204 HydrophobicContact CD2-CD2 4.21Å; L151-F204 HydrophobicContact CD2-CE1 4.43Å; L151-F204 HydrophobicContact CD2-CG 3.75Å; L151-F204 HydrophobicContact CG-CB 4.4Å
152A75.2Confident85.7Confident36 Ų3668 Ų6830%0.29836%0.357SS..Hα-helixtrans-62.8-42.1175.200000112.4S150 I154 V155 A156 S200 V201S150-A152 PolarHBondContact O-N 3.49Å; A152-I154 VanDerWaalsContact C-N 3.3Å; A152-I154 PolarHBondContact O-N 3.13Å; A152-V155 PolarHBondContact O-N 2.74Å; A152-A156 VanDerWaalsContact O-CB 3.23Å; A152-A156 WeakPolarHBondContact O-CB 3.34Å; A152-A156 PolarHBondContact O-N 2.9Å; A152-S200 VanDerWaalsContact CB-OG 3.22Å; A152-S200 WeakPolarHBondContact CB-OG 3.27Å; A152-S200 PolarHBondContact N-OG 3.43Å; A152-S200 VanDerWaalsContact N-OG 3.09Å; A152-V201 HydrophobicContact CB-CG2 4.14Å
153D81.7Confident85.6Confident82 Ų8269 Ų6944%0.43937%0.371SS..Hα-helixtrans-62.7-40.4176.8-66.7-40.6000111Y149 S150 A156 N157Y149-D153 HydrophobicContact CD1-CB 4.19Å; S150-D153 PolarHBondContact O-N 3.34Å; S150-D153 WeakPolarHBondContact OG-CB 3.26Å; S150-D153 PolarHBondContact OG-N 2.86Å; S150-D153 VanDerWaalsContact OG-N 3.09Å; S150-D153 PolarHBondContact OG-OD2 2.84Å; D153-A156 PolarHBondContact O-N 3.47Å; D153-N157 WeakPolarHBondContact O-CB 3.25Å; D153-N157 PolarHBondContact O-N 3.06Å; D153-N157 PolarHBondContact O-ND2 3.12Å
154I85.1Confident85.6Confident0 Ų067.6 Ų67.60%037%0.371CS..Hα-helixtrans-62.3-47177.7-61.2166.5000110.4S150 L151 A152 G158 L161 I166 V168 F204 M234 M243S150-I154 WeakPolarHBondContact O-CG1 3.31Å; S150-I154 PolarHBondContact O-N 3.12Å; L151-I154 HydrophobicContact CD2-CD1 4.26Å; L151-I154 PolarHBondContact O-N 2.87Å; A152-I154 VanDerWaalsContact C-N 3.3Å; A152-I154 PolarHBondContact O-N 3.13Å; I154-G158 PolarHBondContact O-N 3.34Å; I154-L161 HydrophobicContact CB-CD1 4.37Å; I154-L161 HydrophobicContact CG1-CD1 4.47Å; I154-L161 HydrophobicContact CG2-CD1 4.22Å; I154-I166 HydrophobicContact CD1-CD1 3.99Å; I154-I166 HydrophobicContact CG1-CD1 3.83Å; I154-V168 HydrophobicContact CD1-CG2 3.74Å; I154-F204 HydrophobicContact CB-CE2 4.34Å; I154-F204 HydrophobicContact CG2-CE2 3.73Å; I154-F204 HydrophobicContact CG2-CZ 3.81Å; I154-M234 HydrophobicContact CD1-CE 3.92Å; I154-M234 HydrophobicContact CD1-SD 4.47Å; I154-M234 HydrophobicContact CG2-SD 4.1Å; I154-M243 HydrophobicContact CG2-CB 4Å; I154-M243 HydrophobicContact CG2-CG 4.23Å
155V74.8Confident85.8Confident76 Ų7666.1 Ų66.146%0.46137%0.366SS..Hα-helixtrans-65.3-41.3179.4172.90000111.3L151 A152 G158 V201 F204L151-V155 WeakPolarHBondContact O-CG2 3.38Å; L151-V155 PolarHBondContact O-N 2.77Å; A152-V155 PolarHBondContact O-N 2.74Å; V155-G158 PolarHBondContact O-N 3.24Å; V155-V201 HydrophobicContact CG2-CG2 4.29Å; V155-F204 HydrophobicContact CG2-CD2 4.17Å; V155-F204 HydrophobicContact CG2-CE2 4.35Å
156A73.8Confident86.2Confident86 Ų8665.3 Ų65.371%0.71136%0.358SS*.Hα-helixtrans-66.7-39.8-178.800000112.8A152 D153 G158A152-A156 VanDerWaalsContact O-CB 3.23Å; A152-A156 WeakPolarHBondContact O-CB 3.34Å; A152-A156 PolarHBondContact O-N 2.9Å; D153-A156 PolarHBondContact O-N 3.47Å; A156-G158 VanDerWaalsContact C-N 3.33Å
157N74.4Confident86.5Confident63 Ų6357.2 Ų57.234%0.33733%0.328SS..Hα-helixtrans-73.1-28.4175-74.6-80.8000112D153 Q159 Q160 L161D153-N157 WeakPolarHBondContact O-CB 3.25Å; D153-N157 PolarHBondContact O-N 3.06Å; D153-N157 PolarHBondContact O-ND2 3.12Å; N157-Q159 PolarHBondContact O-N 2.85Å; N157-Q160 WeakPolarHBondContact O-CB 3.14Å; N157-Q160 PolarHBondContact O-N 3.46Å; N157-L161 HydrophobicContact CB-CD1 3.59Å; N157-L161 HydrophobicContact CB-CG 3.69Å
158G75.6Confident86.7Confident13 Ų1353.3 Ų53.313%0.13431%0.307CS..G310 helixtrans53.3-129.4174.200000112.4I154 V155 A156 Q160 L161I154-G158 PolarHBondContact O-N 3.34Å; V155-G158 PolarHBondContact O-N 3.24Å; A156-G158 VanDerWaalsContact C-N 3.33Å; G158-Q160 PolarHBondContact O-N 3.02Å; G158-L161 PolarHBondContact O-N 3.12Å
159Q80.1Confident86.8Confident129 Ų12950.7 Ų50.760%0.60330%0.296SS*.G310 helixtrans-57.6-19.7-176.5-70.3-179.62.900114.8N157 L161 D162 F236N157-Q159 PolarHBondContact O-N 2.85Å; Q159-L161 PolarHBondContact O-N 3.38Å; Q159-D162 VanDerWaalsContact O-CB 3.29Å; Q159-D162 WeakPolarHBondContact O-CB 3.37Å; Q159-D162 PolarHBondContact O-N 3.05Å; Q159-F236 HydrophobicContact CG-CB 3.97Å; Q159-F236 HydrophobicContact CG-CD1 3.78Å; Q159-F236 HydrophobicContact CG-CD2 3.53Å; Q159-F236 HydrophobicContact CG-CE1 4.11Å; Q159-F236 HydrophobicContact CG-CE2 3.88Å; Q159-F236 HydrophobicContact CG-CG 3.47Å; Q159-F236 VanDerWaalsContact CG-CG 3.47Å; Q159-F236 HydrophobicContact CG-CZ 4.15Å
160Q81.6Confident86.9Confident166 Ų16646.2 Ų46.278%0.77628%0.279SS*.G310 helixtrans-65.2-22.2176.8-61.4-177.39.100112.6N157 G158N157-Q160 WeakPolarHBondContact O-CB 3.14Å; N157-Q160 PolarHBondContact O-N 3.46Å; G158-Q160 PolarHBondContact O-N 3.02Å
161L87.3Confident87.1Confident19 Ų1944.9 Ų44.910%0.09927%0.27CS..G310 helixtrans-946.9175.3-65.7176.1000113I154 N157 G158 Q159 G163 A164 I166 M234 M243I154-L161 HydrophobicContact CB-CD1 4.37Å; I154-L161 HydrophobicContact CG1-CD1 4.47Å; I154-L161 HydrophobicContact CG2-CD1 4.22Å; N157-L161 HydrophobicContact CB-CD1 3.59Å; N157-L161 HydrophobicContact CB-CG 3.69Å; G158-L161 PolarHBondContact O-N 3.12Å; Q159-L161 PolarHBondContact O-N 3.38Å; L161-G163 PolarHBondContact O-N 2.92Å; L161-A164 HydrophobicContact CB-CB 4.31Å; L161-A164 HydrophobicContact CD2-CB 4.22Å; L161-A164 WeakPolarHBondContact O-CB 3.34Å; L161-A164 PolarHBondContact O-N 3.24Å; L161-I166 HydrophobicContact CD1-CD1 4.46Å; L161-M234 HydrophobicContact CB-CB 4.44Å; L161-M234 WeakPolarHBondContact O-CB 3.33Å; L161-M243 HydrophobicContact CB-CE 3.98Å
162D88.4Confident87.3Confident95 Ų9544.9 Ų44.951%0.50827%0.27SS..THydrogen-bonded Turntrans-62123.3177.4-170.458.8000110.9Q159 A164 S235 F236Q159-D162 VanDerWaalsContact O-CB 3.29Å; Q159-D162 WeakPolarHBondContact O-CB 3.37Å; Q159-D162 PolarHBondContact O-N 3.05Å; D162-A164 VanDerWaalsContact C-N 3.27Å; D162-A164 PolarHBondContact O-N 2.92Å; D162-S235 WeakPolarHBondContact OD1-CA 3.2Å; D162-F236 PolarHBondContact OD1-N 3.18Å
163G91.3Very high87.7Confident42 Ų4243.4 Ų43.443%0.43326%0.256SS..THydrogen-bonded Turntrans82-5.4-175.500000115.1L161 M234L161-G163 PolarHBondContact O-N 2.92Å; G163-M234 WeakPolarHBondContact CA-O 3.29Å; G163-M234 PolarHBondContact N-O 3Å
164A94.6Very high87.7Confident29 Ų2942.2 Ų42.224%0.2425%0.25CC..  trans-65.8150.3175.600000111.2L161 D162 I166 K233 M234L161-A164 HydrophobicContact CB-CB 4.31Å; L161-A164 HydrophobicContact CD2-CB 4.22Å; L161-A164 WeakPolarHBondContact O-CB 3.34Å; L161-A164 PolarHBondContact O-N 3.24Å; D162-A164 VanDerWaalsContact C-N 3.27Å; D162-A164 PolarHBondContact O-N 2.92Å; A164-I166 HydrophobicContact CB-CG2 4.28Å; A164-K233 WeakPolarHBondContact O-CA 3.4Å; A164-M234 PolarHBondContact O-N 2.83Å
165V95.4Very high87.6Confident75 Ų7544.3 Ų44.346%0.45526%0.26SS..EExtended strand (participates in β ladder)trans-116.9112.5173.7178.20000106.9D231 T232V165-D231 HydrophobicContact CG1-CB 3.7Å; V165-T232 WeakPolarHBondContact CA-O 3.39Å
166I96.1Very high87.7Confident17 Ų1742.3 Ų42.39%0.08726%0.255CS..EExtended strand (participates in β ladder)trans-137167.7-173.466.1-178.1000110.4Y149 I154 L161 A164 T232 M234Y149-I166 HydrophobicContact CD1-CD1 4.5Å; Y149-I166 HydrophobicContact CD2-CB 3.93Å; Y149-I166 HydrophobicContact CD2-CD1 4Å; Y149-I166 HydrophobicContact CD2-CG1 4.44Å; Y149-I166 HydrophobicContact CD2-CG2 4.12Å; Y149-I166 HydrophobicContact CE2-CB 4.24Å; Y149-I166 HydrophobicContact CE2-CG2 3.96Å; Y149-I166 HydrophobicContact CG-CD1 3.91Å; I154-I166 HydrophobicContact CD1-CD1 3.99Å; I154-I166 HydrophobicContact CG1-CD1 3.83Å; L161-I166 HydrophobicContact CD1-CD1 4.46Å; A164-I166 HydrophobicContact CB-CG2 4.28Å; I166-T232 PolarHBondContact N-O 3.3Å; I166-T232 WeakPolarHBondContact O-CG2 3.01Å; I166-T232 PolarHBondContact O-N 3.13Å; I166-M234 HydrophobicContact CD1-CE 3.6Å; I166-M234 HydrophobicContact CD1-CG 3.52Å; I166-M234 HydrophobicContact CD1-SD 4.22Å; I166-M234 HydrophobicContact CG1-CE 3.35Å; I166-M234 HydrophobicContact CG1-CG 3.66Å; I166-M234 HydrophobicContact CG1-SD 4.35Å
167N97.7Very high88.2Confident6 Ų645.2 Ų45.23%0.03225%0.254CS..EExtended strand (participates in β ladder)trans-98.3147.7175.4-48-43.2000110.3D147 F148 Y149 F228 V229 A230 D231D147-N167 WeakPolarHBondContact O-CB 3.42Å; D147-N167 PolarHBondContact O-ND2 3.45Å; D147-N167 PolarHBondContact OD2-ND2 3.35Å; F148-N167 WeakPolarHBondContact CA-O 3.29Å; F148-N167 HydrophobicContact CB-CB 4.21Å; Y149-N167 PolarHBondContact N-O 3.08Å; N167-F228 HydrophobicContact CB-CE1 4.28Å; N167-F228 HydrophobicContact CB-CE2 4.48Å; N167-F228 HydrophobicContact CB-CZ 3.86Å; N167-V229 WeakPolarHBondContact CA-O 3.26Å; N167-A230 WeakPolarHBondContact OD1-CA 3.39Å; N167-D231 PolarHBondContact OD1-N 3.44Å
168V97.6Very high88.8Confident1 Ų144.1 Ų44.11%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-133.5133.6-179.9-179.60000110.1L151 I154 A170 F228 V229 T232 M234L151-V168 HydrophobicContact CD2-CG1 3.68Å; I154-V168 HydrophobicContact CD1-CG2 3.74Å; V168-A170 HydrophobicContact CG1-CB 4.05Å; V168-F228 CarbonylContact O-C 3.58Å; V168-F228 WeakPolarHBondContact O-CA 3.42Å; V168-V229 PolarHBondContact N-O 3.23Å; V168-V229 PolarHBondContact O-N 2.86Å; V168-T232 HydrophobicContact CG2-CG2 3.92Å; V168-M234 HydrophobicContact CG2-CE 3.31Å
169L97.4Very high89.3Confident7 Ų747.5 Ų47.54%0.03726%0.261CS..EExtended strand (participates in β ladder)trans-109.8114.5167.3-179.570.2000108.5F148 V226 L227 F228 P257 E261 A262 L265F148-L169 HydrophobicContact CB-CB 4.48Å; F148-L169 HydrophobicContact CD1-CB 4.2Å; F148-L169 HydrophobicContact CD2-CB 3.76Å; F148-L169 HydrophobicContact CE1-CB 4.39Å; F148-L169 HydrophobicContact CE1-CD2 4.04Å; F148-L169 HydrophobicContact CE2-CB 3.97Å; F148-L169 HydrophobicContact CE2-CD2 4.33Å; F148-L169 HydrophobicContact CG-CB 3.89Å; F148-L169 HydrophobicContact CZ-CB 4.28Å; F148-L169 HydrophobicContact CZ-CD2 3.91Å; L169-V226 HydrophobicContact CD1-CG1 3.68Å; L169-V226 HydrophobicContact CG-CG1 4.41Å; L169-L227 WeakPolarHBondContact CA-O 3.26Å; L169-F228 HydrophobicContact CB-CD2 4.24Å; L169-F228 HydrophobicContact CD1-CB 4.13Å; L169-F228 HydrophobicContact CD1-CD2 4.2Å; L169-P257 HydrophobicContact CD1-CG 4.02Å; L169-E261 HydrophobicContact CD2-CB 3.67Å; L169-A262 HydrophobicContact CD1-CB 4.08Å; L169-L265 HydrophobicContact CG-CD2 4.31Å
170A97.1Very high89.8Confident1 Ų149.2 Ų49.21%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-153.7155.3-178.400000112.3L151 V168 L196 L227L151-A170 HydrophobicContact CD1-CB 4.02Å; L151-A170 HydrophobicContact CD2-CB 4.36Å; L151-A170 HydrophobicContact CG-CB 4.34Å; V168-A170 HydrophobicContact CG1-CB 4.05Å; A170-L196 HydrophobicContact CB-CB 3.88Å; A170-L196 HydrophobicContact CB-CD1 4.16Å; A170-L227 PolarHBondContact N-O 3.01Å; A170-L227 PolarHBondContact O-N 3.18Å
171A95.3Very high90Very high0 Ų045.1 Ų45.10%025%0.248CC..EExtended strand (participates in β ladder)trans-85.3149174.600000111.4K173 L196 F197 T225 V226 L265 V269A171-K173 PolarHBondContact O-N 2.92Å; A171-L196 CarbonylContact O-C 3.53Å; A171-L196 WeakPolarHBondContact O-CA 3.24Å; A171-F197 HydrophobicContact CB-CD1 3.78Å; A171-F197 HydrophobicContact CB-CE1 3.45Å; A171-F197 VanDerWaalsContact CB-CE1 3.45Å; A171-F197 HydrophobicContact CB-CE2 4.5Å; A171-F197 HydrophobicContact CB-CG 4.5Å; A171-F197 HydrophobicContact CB-CZ 3.87Å; A171-F197 PolarHBondContact N-O 3.24Å; A171-F197 WeakPolarHBondContact O-CD1 3.34Å; A171-F197 PolarHBondContact O-N 2.77Å; A171-T225 CarbonylContact C-O 3.58Å; A171-T225 WeakPolarHBondContact CA-O 3.48Å; A171-V226 HydrophobicContact CB-CG2 4.33Å; A171-L265 HydrophobicContact CB-CD2 4.44Å; A171-L265 HydrophobicContact CB-CG 4.46Å; A171-V269 HydrophobicContact CB-CG2 3.37Å
172V93.1Very high90Very high0 Ų048.9 Ų48.90%027%0.272CS..EExtended strand (participates in β ladder)trans-80.8115.1176.3-178.80000108.7I175 L194 L196 L220 P222 R223 T225 L227V172-I175 HydrophobicContact CG1-CD1 4.22Å; V172-I175 HydrophobicContact CG1-CG1 3.76Å; V172-L194 HydrophobicContact CG1-CD2 4.17Å; V172-L196 HydrophobicContact CG2-CD2 4.32Å; V172-L220 HydrophobicContact CG2-CD1 4.21Å; V172-P222 HydrophobicContact CG1-CB 4.4Å; V172-P222 CarbonylContact O-C 3.52Å; V172-R223 PolarHBondContact O-N 3.43Å; V172-T225 HydrophobicContact CG2-CG2 4.28Å; V172-T225 PolarHBondContact N-O 3.13Å; V172-L227 HydrophobicContact CG2-CD1 3.51Å; V172-L227 HydrophobicContact CG2-CD2 4.45Å; V172-L227 HydrophobicContact CG2-CG 3.7Å
173K82.8Confident89.6Confident5 Ų546.7 Ų46.72%0.02226%0.262CS..EExtended strand (participates in β ladder)trans-83.2-50.5175.5-172.1167.9165-178.80112.1A171 K195 F197 S202 P222 D281A171-K173 PolarHBondContact O-N 2.92Å; K173-K195 WeakPolarHBondContact CA-O 3.41Å; K173-K195 HydrophobicContact CB-CB 4.14Å; K173-K195 VanDerWaalsContact CB-O 3.29Å; K173-K195 WeakPolarHBondContact CB-O 3.3Å; K173-K195 PolarHBondContact N-O 3Å; K173-F197 HydrophobicContact CB-CB 4.39Å; K173-F197 HydrophobicContact CB-CD1 3.47Å; K173-F197 VanDerWaalsContact CB-CD1 3.47Å; K173-F197 HydrophobicContact CB-CE1 4Å; K173-F197 HydrophobicContact CB-CG 4.19Å; K173-F197 HydrophobicContact CD-CB 4.34Å; K173-F197 HydrophobicContact CD-CD1 4.49Å; K173-F197 HydrophobicContact CD-CG 4.46Å; K173-F197 HydrophobicContact CG-CD1 4.2Å; K173-S202 WeakPolarHBondContact CD-O 3.44Å; K173-S202 WeakPolarHBondContact CE-O 3.37Å; K173-S202 PolarHBondContact NZ-O 2.68Å; K173-P222 WeakPolarHBondContact O-CB 3.47Å; K173-D281 WeakPolarHBondContact CE-O 3.49Å; K173-D281 VanDerWaalsContact CE-OD2 3.29Å; K173-D281 WeakPolarHBondContact CE-OD2 3.35Å; K173-D281 PolarHBondContact NZ-O 2.84Å; K173-D281 IonicContact NZ-OD1 3.66Å; K173-D281 PolarHBondContact NZ-OD1 3.39Å; K173-D281 IonicContact NZ-OD2 2.78Å; K173-D281 PolarHBondContact NZ-OD2 2.77Å
174L81.9Confident89.2Confident56 Ų5651.2 Ų51.229%0.29329%0.287SS..EExtended strand (participates in β ladder)trans-148.6146.7-176.2-71170.1000110.2L194 K195L174-L194 CarbonylContact O-C 3.51Å; L174-L194 WeakPolarHBondContact O-CA 3.04Å; L174-K195 HydrophobicContact CB-CB 4.19Å; L174-K195 HydrophobicContact CB-CD 4.27Å; L174-K195 HydrophobicContact CD1-CD 3.92Å; L174-K195 PolarHBondContact N-O 3.13Å; L174-K195 PolarHBondContact O-N 3.35Å
175I84.2Confident88.4Confident44 Ų4454 Ų5423%0.22630%0.298CS..EExtended strand (participates in β ladder)trans-112.9123.4173.6-60.2164.2000107.3V172 L192 L194 L220 P222V172-I175 HydrophobicContact CG1-CD1 4.22Å; V172-I175 HydrophobicContact CG1-CG1 3.76Å; I175-L192 HydrophobicContact CG2-CD1 4.08Å; I175-L192 HydrophobicContact CG2-CD2 4.47Å; I175-L194 HydrophobicContact CG1-CD2 3.97Å; I175-L194 HydrophobicContact CG1-CG 4.29Å; I175-L194 HydrophobicContact CG2-CG 4.5Å; I175-L220 HydrophobicContact CD1-CB 3.94Å; I175-L220 WeakPolarHBondContact CD1-O 3.41Å; I175-P222 HydrophobicContact CD1-CG 3.81Å; I175-P222 HydrophobicContact CG1-CG 4.03Å
176G76.4Confident87.5Confident34 Ų3453 Ų5335%0.35130%0.303SS..PPolyproline II helixtrans-74.8173.8176.600000112.8L192 E193G176-L192 WeakPolarHBondContact O-CD1 3.21Å; G176-E193 VanDerWaalsContact CA-O 3.27Å; G176-E193 WeakPolarHBondContact CA-O 3.21Å; G176-E193 PolarHBondContact N-O 3.46Å
177E83.1Confident86.7Confident148 Ų14860.5 Ų60.569%0.69233%0.33SS*.PPolyproline II helixtrans-77.7139.7169.9-65.8172163.600110.6K179E177-K179 PolarHBondContact O-N 2.92Å
178T87.3Confident86Confident39 Ų3971.2 Ų71.224%0.23937%0.37CS..PPolyproline II helixtrans-69121.6171.4-66.20000109.8Q190 R191 I214 Q218T178-Q190 HydrophobicContact CG2-CB 4.25Å; T178-R191 WeakPolarHBondContact CA-O 3.14Å; T178-I214 HydrophobicContact CG2-CG2 4.26Å; T178-Q218 VanDerWaalsContact OG1-CD 3.32Å; T178-Q218 PolarHBondContact OG1-NE2 3.18Å
179K87.5Confident85.4Confident84 Ų8472.2 Ų72.237%0.36538%0.381SS..EExtended strand (participates in β ladder)trans-101.4129.9177.1-63.9-177.6-178.9-178.10109.5E177 Q190 R191E177-K179 PolarHBondContact O-N 2.92Å; K179-Q190 CarbonylContact O-C 3.47Å; K179-Q190 WeakPolarHBondContact O-CA 3.36Å; K179-R191 PolarHBondContact N-O 3.43Å; K179-R191 PolarHBondContact O-N 3.3Å
180Q89.7Confident85.1Confident166 Ų16673.8 Ų73.878%0.77639%0.388SS*.EExtended strand (participates in β ladder)trans-94.1144.8169-64.7179.6-7.900109.6G189Q180-G189 WeakPolarHBondContact CA-O 3.47Å
181F86Confident84.9Confident79 Ų7976.1 Ų76.135%0.34640%0.396SS..EExtended strand (participates in β ladder)trans-143.5163.3175.663.2-86.2000110.4T183 G189 R191 W209F181-T183 HydrophobicContact CD2-CG2 4.11Å; F181-T183 HydrophobicContact CE2-CG2 3.64Å; F181-G189 PolarHBondContact N-O 3.24Å; F181-G189 PolarHBondContact O-N 3.09Å; F181-G189 VanDerWaalsContact O-O 3.14Å; F181-R191 HydrophobicContact CE1-CB 4.22Å; F181-W209 AromaticContact CE1-CE3 3.78Å; F181-W209 HydrophobicContact CE1-CE3 3.78Å; F181-W209 AromaticContact CE1-CZ3 3.57Å; F181-W209 HydrophobicContact CE1-CZ3 3.57Å; F181-W209 AromaticContact CZ-CE3 3.83Å; F181-W209 HydrophobicContact CZ-CE3 3.83Å; F181-W209 AromaticContact CZ-CZ3 3.66Å; F181-W209 HydrophobicContact CZ-CZ3 3.66Å
182V87.2Confident84.9Confident99 Ų9976.1 Ų76.160%0.640%0.396SS*.EExtended strand (participates in β ladder)trans-116.7125.2171.3-175.50000106.7R187 R188V182-R187 CarbonylContact C-O 3.56Å; V182-R187 WeakPolarHBondContact CA-O 3.28Å; V182-R188 HydrophobicContact CG2-CG 4.42Å
183T80.8Confident84.9Confident48 Ų4877.8 Ų77.829%0.29440%0.404SS..  trans-69.7164175.748.50000110.5F181 D185 G186 R187F181-T183 HydrophobicContact CD2-CG2 4.11Å; F181-T183 HydrophobicContact CE2-CG2 3.64Å; T183-D185 WeakPolarHBondContact CB-OD1 3.19Å; T183-D185 PolarHBondContact O-N 3.48Å; T183-D185 VanDerWaalsContact O-N 3.11Å; T183-D185 PolarHBondContact OG1-OD1 3.09Å; T183-G186 PolarHBondContact O-N 3.37Å; T183-R187 PolarHBondContact N-O 2.74Å; T183-R187 WeakPolarHBondContact OG1-CA 3.48Å; T183-R187 WeakPolarHBondContact OG1-CB 3.46Å; T183-R187 PolarHBondContact OG1-N 3.03Å; T183-R187 VanDerWaalsContact OG1-N 3.15Å; T183-R187 PolarHBondContact OG1-O 3.2Å
184S81.2Confident85.4Confident137 Ų13777.5 Ų77.596%0.95840%0.403SS*.THydrogen-bonded Turntrans-59.6-23.3-179.952.70000114G186S184-G186 VanDerWaalsContact C-N 3.34Å
185D79Confident85.7Confident88 Ų8878.4 Ų78.447%0.47140%0.404SS..THydrogen-bonded Turntrans-93.113.3175.266-10.1000113.4T183 R187T183-D185 WeakPolarHBondContact CB-OD1 3.19Å; T183-D185 PolarHBondContact O-N 3.48Å; T183-D185 VanDerWaalsContact O-N 3.11Å; T183-D185 PolarHBondContact OG1-OD1 3.09Å; D185-R187 VanDerWaalsContact C-N 3.33Å; D185-R187 PolarHBondContact O-N 3.09Å; D185-R187 IonicContact OD1-NE 2.74Å; D185-R187 IonicContact OD2-CZ 2.69Å; D185-R187 IonicContact OD2-NE 2.65Å; D185-R187 PolarHBondContact OD2-NE 3.34Å; D185-R187 IonicContact OD2-NH2 3.32Å; D185-R187 PolarHBondContact OD2-NH2 2.64Å
186G75.3Confident86.2Confident54 Ų5476.4 Ų76.456%0.55739%0.394SS*.SBendtrans83.7-1.6172.300000115.5T183 S184T183-G186 PolarHBondContact O-N 3.37Å; S184-G186 VanDerWaalsContact C-N 3.34Å
187R79.3Confident86.7Confident174 Ų17474.9 Ų74.966%0.65738%0.378SS*.  trans-72.2138.5176.9-64.9-176.2-86.7166.6-10.2110.8V182 T183 D185V182-R187 CarbonylContact C-O 3.56Å; V182-R187 WeakPolarHBondContact CA-O 3.28Å; T183-R187 PolarHBondContact N-O 2.74Å; T183-R187 WeakPolarHBondContact OG1-CA 3.48Å; T183-R187 WeakPolarHBondContact OG1-CB 3.46Å; T183-R187 PolarHBondContact OG1-N 3.03Å; T183-R187 VanDerWaalsContact OG1-N 3.15Å; T183-R187 PolarHBondContact OG1-O 3.2Å; D185-R187 VanDerWaalsContact C-N 3.33Å; D185-R187 PolarHBondContact O-N 3.09Å; D185-R187 IonicContact OD1-NE 2.74Å; D185-R187 IonicContact OD2-CZ 2.69Å; D185-R187 IonicContact OD2-NE 2.65Å; D185-R187 PolarHBondContact OD2-NE 3.34Å; D185-R187 IonicContact OD2-NH2 3.32Å; D185-R187 PolarHBondContact OD2-NH2 2.64Å
188R83.4Confident86.9Confident232 Ų23268.2 Ų68.288%0.87535%0.347SS*.EExtended strand (participates in β ladder)trans-81.8130.7173.8-63.7-178.3-178.9-174.81108.7V182V182-R188 HydrophobicContact CG2-CG 4.42Å
189G86.6Confident86.4Confident22 Ų2272 Ų7223%0.22737%0.366CS..EExtended strand (participates in β ladder)trans-127.6166.9175.500000111Q180 F181Q180-G189 WeakPolarHBondContact CA-O 3.47Å; F181-G189 PolarHBondContact N-O 3.24Å; F181-G189 PolarHBondContact O-N 3.09Å; F181-G189 VanDerWaalsContact O-O 3.14Å
190Q90.8Very high85.8Confident40 Ų4070.7 Ų70.719%0.18737%0.367CS..EExtended strand (participates in β ladder)trans-141.2159.8175.162.5-171.7-17.800110.8T178 K179 W209 I214T178-Q190 HydrophobicContact CG2-CB 4.25Å; K179-Q190 CarbonylContact O-C 3.47Å; K179-Q190 WeakPolarHBondContact O-CA 3.36Å; Q190-W209 WeakPolarHBondContact CG-O 3.36Å; Q190-W209 WeakPolarHBondContact O-CA 3.23Å; Q190-I214 HydrophobicContact CB-CD1 4.42Å; Q190-I214 HydrophobicContact CG-CD1 3.65Å
191R92.8Very high85Confident50 Ų5063.9 Ų63.919%0.18934%0.337CS..EExtended strand (participates in β ladder)trans-148.8128.2-176.2-172.5-173.1176.3-124.5-15.8110.3T178 K179 F181 E193 I207 S208 W209T178-R191 WeakPolarHBondContact CA-O 3.14Å; K179-R191 PolarHBondContact N-O 3.43Å; K179-R191 PolarHBondContact O-N 3.3Å; F181-R191 HydrophobicContact CE1-CB 4.22Å; R191-E193 IonicContact CZ-OE2 3.1Å; R191-E193 IonicContact NH1-OE2 2.74Å; R191-E193 IonicContact NH2-OE2 2.64Å; R191-E193 PolarHBondContact NH2-OE2 3.09Å; R191-I207 HydrophobicContact CG-CG2 4.04Å; R191-I207 VanDerWaalsContact NH2-CD1 3.33Å; R191-S208 WeakPolarHBondContact CA-O 3.12Å; R191-W209 HydrophobicContact CB-CE3 3.75Å; R191-W209 HydrophobicContact CB-CH2 4.42Å; R191-W209 HydrophobicContact CB-CZ3 3.67Å; R191-W209 VanDerWaalsContact CD-CH2 3.42Å; R191-W209 HydrophobicContact CG-CD2 4.29Å; R191-W209 HydrophobicContact CG-CE3 3.82Å; R191-W209 HydrophobicContact CG-CH2 3.87Å; R191-W209 HydrophobicContact CG-CZ2 4.3Å; R191-W209 HydrophobicContact CG-CZ3 3.6Å
192L93.8Very high84.3Confident0 Ų062.9 Ų62.90%034%0.34CS..EExtended strand (participates in β ladder)trans-115.4139.6167.3-177.267000109I175 G176 L194 I207 S208 I214 L217 Q218I175-L192 HydrophobicContact CG2-CD1 4.08Å; I175-L192 HydrophobicContact CG2-CD2 4.47Å; G176-L192 WeakPolarHBondContact O-CD1 3.21Å; L192-L194 HydrophobicContact CD2-CD1 3.69Å; L192-L194 HydrophobicContact CG-CD1 3.82Å; L192-I207 WeakPolarHBondContact O-CA 3.48Å; L192-S208 PolarHBondContact N-O 2.97Å; L192-S208 PolarHBondContact O-N 2.89Å; L192-I214 HydrophobicContact CB-CD1 4.06Å; L192-I214 HydrophobicContact CB-CG1 3.71Å; L192-I214 HydrophobicContact CB-CG2 4.33Å; L192-I214 HydrophobicContact CD2-CG1 4.35Å; L192-I214 HydrophobicContact CD2-CG2 4.25Å; L192-L217 HydrophobicContact CD2-CB 3.73Å; L192-Q218 HydrophobicContact CD1-CG 4.35Å; L192-Q218 HydrophobicContact CD2-CG 3.85Å
193E93.3Very high84Confident34 Ų3460.4 Ų60.416%0.15933%0.327CS..EExtended strand (participates in β ladder)trans-123.7124.5172.8-176.5-179.3136.400108.4G176 R191 L206 I207 R240G176-E193 VanDerWaalsContact CA-O 3.27Å; G176-E193 WeakPolarHBondContact CA-O 3.21Å; G176-E193 PolarHBondContact N-O 3.46Å; R191-E193 IonicContact CZ-OE2 3.1Å; R191-E193 IonicContact NH1-OE2 2.74Å; R191-E193 IonicContact NH2-OE2 2.64Å; R191-E193 PolarHBondContact NH2-OE2 3.09Å; E193-L206 CarbonylContact C-O 3.44Å; E193-L206 WeakPolarHBondContact CA-O 3.41Å; E193-I207 HydrophobicContact CG-CG1 4.25Å; E193-R240 IonicContact OE1-CZ 2.88Å; E193-R240 IonicContact OE1-NH1 3.7Å; E193-R240 PolarHBondContact OE1-NH1 3.47Å; E193-R240 IonicContact OE1-NH2 3.18Å; E193-R240 PolarHBondContact OE1-NH2 3.06Å; E193-R240 VanDerWaalsContact OE1-NH2 3.16Å; E193-R240 IonicContact OE2-CZ 3.94Å; E193-R240 IonicContact OE2-NH1 2.98Å; E193-R240 IonicContact OE2-NH2 3.17Å; E193-R240 PolarHBondContact OE2-NH2 3.26Å
194L93.6Very high84.3Confident0 Ų058.2 Ų58.20%031%0.313CS..EExtended strand (participates in β ladder)trans-105.2155.4172-63.484.2000108.9V172 L174 I175 L192 P205 L206 L217V172-L194 HydrophobicContact CG1-CD2 4.17Å; L174-L194 CarbonylContact O-C 3.51Å; L174-L194 WeakPolarHBondContact O-CA 3.04Å; I175-L194 HydrophobicContact CG1-CD2 3.97Å; I175-L194 HydrophobicContact CG1-CG 4.29Å; I175-L194 HydrophobicContact CG2-CG 4.5Å; L192-L194 HydrophobicContact CD2-CD1 3.69Å; L192-L194 HydrophobicContact CG-CD1 3.82Å; L194-P205 WeakPolarHBondContact O-CA 3.2Å; L194-L206 HydrophobicContact CB-CB 4.38Å; L194-L206 PolarHBondContact N-O 2.98Å; L194-L206 PolarHBondContact O-N 2.73Å; L194-L217 HydrophobicContact CD1-CB 4.19Å; L194-L217 HydrophobicContact CD1-CD1 3.86Å; L194-L217 HydrophobicContact CD1-CD2 4.46Å; L194-L217 HydrophobicContact CD1-CG 4.4Å; L194-L217 HydrophobicContact CD2-CB 4.26Å; L194-L217 HydrophobicContact CD2-CD2 3.9Å
195K88.7Confident84.7Confident74 Ų7452.4 Ų52.432%0.32227%0.272SS..EExtended strand (participates in β ladder)trans-105.6121.6163.6-67.8176.3170.5-1730107.6K173 L174 S203 F204K173-K195 WeakPolarHBondContact CA-O 3.41Å; K173-K195 HydrophobicContact CB-CB 4.14Å; K173-K195 VanDerWaalsContact CB-O 3.29Å; K173-K195 WeakPolarHBondContact CB-O 3.3Å; K173-K195 PolarHBondContact N-O 3Å; L174-K195 HydrophobicContact CB-CB 4.19Å; L174-K195 HydrophobicContact CB-CD 4.27Å; L174-K195 HydrophobicContact CD1-CD 3.92Å; L174-K195 PolarHBondContact N-O 3.13Å; L174-K195 PolarHBondContact O-N 3.35Å; K195-S203 WeakPolarHBondContact CD-OG 3.22Å; K195-F204 CarbonylContact C-O 3.59Å
196L94.4Very high85.6Confident2 Ų248.2 Ų48.21%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-94.9161.1170.1-54.3-178.2000109.9A170 A171 V172 S203 F204 L206 L227A170-L196 HydrophobicContact CB-CB 3.88Å; A170-L196 HydrophobicContact CB-CD1 4.16Å; A171-L196 CarbonylContact O-C 3.53Å; A171-L196 WeakPolarHBondContact O-CA 3.24Å; V172-L196 HydrophobicContact CG2-CD2 4.32Å; L196-S203 CarbonylContact O-C 3.06Å; L196-S203 VanDerWaalsContact O-CA 3.31Å; L196-S203 WeakPolarHBondContact O-CA 3.41Å; L196-F204 HydrophobicContact CB-CB 4.46Å; L196-F204 PolarHBondContact N-O 2.83Å; L196-F204 PolarHBondContact O-N 2.77Å; L196-L206 HydrophobicContact CD1-CB 3.79Å; L196-L206 HydrophobicContact CD1-CD2 4.1Å; L196-L206 HydrophobicContact CD1-CG 4.39Å; L196-L206 HydrophobicContact CD2-CB 4.46Å; L196-L206 HydrophobicContact CD2-CD2 4.31Å; L196-L206 HydrophobicContact CG-CB 3.91Å; L196-L206 HydrophobicContact CG-CD2 4.49Å; L196-L227 HydrophobicContact CD2-CD1 4.22Å
197F87.2Confident86.6Confident2 Ų246.2 Ų46.21%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-154.6157.517276.5-69.3000110.5A171 K173 V201 S202 V269 L272 L278A171-F197 HydrophobicContact CB-CD1 3.78Å; A171-F197 HydrophobicContact CB-CE1 3.45Å; A171-F197 VanDerWaalsContact CB-CE1 3.45Å; A171-F197 HydrophobicContact CB-CE2 4.5Å; A171-F197 HydrophobicContact CB-CG 4.5Å; A171-F197 HydrophobicContact CB-CZ 3.87Å; A171-F197 PolarHBondContact N-O 3.24Å; A171-F197 WeakPolarHBondContact O-CD1 3.34Å; A171-F197 PolarHBondContact O-N 2.77Å; K173-F197 HydrophobicContact CB-CB 4.39Å; K173-F197 HydrophobicContact CB-CD1 3.47Å; K173-F197 VanDerWaalsContact CB-CD1 3.47Å; K173-F197 HydrophobicContact CB-CE1 4Å; K173-F197 HydrophobicContact CB-CG 4.19Å; K173-F197 HydrophobicContact CD-CB 4.34Å; K173-F197 HydrophobicContact CD-CD1 4.49Å; K173-F197 HydrophobicContact CD-CG 4.46Å; K173-F197 HydrophobicContact CG-CD1 4.2Å; F197-V201 VanDerWaalsContact CA-O 3.25Å; F197-V201 WeakPolarHBondContact CA-O 3.41Å; F197-V201 WeakPolarHBondContact CB-O 3.03Å; F197-S202 WeakPolarHBondContact CB-O 3.48Å; F197-V269 HydrophobicContact CE1-CG2 4.41Å; F197-V269 HydrophobicContact CE2-CG2 3.94Å; F197-V269 HydrophobicContact CZ-CB 4.27Å; F197-V269 HydrophobicContact CZ-CG1 3.9Å; F197-V269 HydrophobicContact CZ-CG2 3.65Å; F197-L272 HydrophobicContact CE2-CD1 4.04Å; F197-L278 HydrophobicContact CD2-CD2 4.04Å; F197-L278 HydrophobicContact CE1-CD2 4.32Å; F197-L278 HydrophobicContact CE2-CD1 4.06Å; F197-L278 HydrophobicContact CE2-CD2 3.46Å; F197-L278 VanDerWaalsContact CE2-CD2 3.46Å; F197-L278 HydrophobicContact CE2-CG 4.28Å; F197-L278 HydrophobicContact CZ-CD1 3.76Å; F197-L278 HydrophobicContact CZ-CD2 3.58Å; F197-L278 HydrophobicContact CZ-CG 4.32Å
198D86.8Confident87.4Confident9 Ų938 Ų385%0.04820%0.195CC..  trans-137.3-164.4170.366.110.2000109.5L151 S200 V201 L265L151-D198 VanDerWaalsContact CB-OD2 3.26Å; L151-D198 WeakPolarHBondContact CB-OD2 3.24Å; L151-D198 HydrophobicContact CD1-CB 4.12Å; L151-D198 HydrophobicContact CG-CB 4.41Å; L151-D198 VanDerWaalsContact CG-OD2 3.27Å; L151-D198 WeakPolarHBondContact CG-OD2 3.47Å; L151-D198 PolarHBondContact N-OD2 2.65Å; D198-S200 VanDerWaalsContact CG-OG 3.28Å; D198-S200 PolarHBondContact O-N 2.94Å; D198-S200 WeakPolarHBondContact OD1-CA 3.38Å; D198-S200 WeakPolarHBondContact OD1-CB 3.2Å; D198-S200 PolarHBondContact OD1-N 3Å; D198-S200 PolarHBondContact OD1-OG 3.46Å; D198-S200 PolarHBondContact OD2-OG 3.19Å; D198-V201 PolarHBondContact N-O 2.8Å; D198-V201 PolarHBondContact OD1-N 3.41Å; D198-L265 HydrophobicContact CB-CD1 4.18Å
199D76.7Confident87.9Confident118 Ų11832.1 Ų32.163%0.63117%0.173SC*.SBendtrans-70.4-13.7176.762.7-26.7000114.1Y268D199-Y268 HydrophobicContact CB-CD1 4.25Å; D199-Y268 HydrophobicContact CB-CD2 4.5Å; D199-Y268 HydrophobicContact CB-CE1 3.91Å; D199-Y268 HydrophobicContact CB-CE2 4.18Å
200S75.5Confident88.1Confident56 Ų5632.3 Ų32.339%0.39217%0.169SC..SBendtrans-106.9-34-174.279.50000113.2A152 D198A152-S200 VanDerWaalsContact CB-OG 3.22Å; A152-S200 WeakPolarHBondContact CB-OG 3.27Å; A152-S200 PolarHBondContact N-OG 3.43Å; A152-S200 VanDerWaalsContact N-OG 3.09Å; D198-S200 VanDerWaalsContact CG-OG 3.28Å; D198-S200 PolarHBondContact O-N 2.94Å; D198-S200 WeakPolarHBondContact OD1-CA 3.38Å; D198-S200 WeakPolarHBondContact OD1-CB 3.2Å; D198-S200 PolarHBondContact OD1-N 3Å; D198-S200 PolarHBondContact OD1-OG 3.46Å; D198-S200 PolarHBondContact OD2-OG 3.19Å
201V73.6Confident88.1Confident24 Ų2434.7 Ų34.715%0.14518%0.176CC..  trans-133124.8-176.1175.60000110L151 A152 V155 F197 D198 F204L151-V201 HydrophobicContact CB-CB 3.59Å; L151-V201 HydrophobicContact CB-CG1 4.28Å; L151-V201 HydrophobicContact CB-CG2 3.69Å; L151-V201 HydrophobicContact CD1-CB 4.18Å; A152-V201 HydrophobicContact CB-CG2 4.14Å; V155-V201 HydrophobicContact CG2-CG2 4.29Å; F197-V201 VanDerWaalsContact CA-O 3.25Å; F197-V201 WeakPolarHBondContact CA-O 3.41Å; F197-V201 WeakPolarHBondContact CB-O 3.03Å; D198-V201 PolarHBondContact N-O 2.8Å; D198-V201 PolarHBondContact OD1-N 3.41Å; V201-F204 HydrophobicContact CG1-CB 4.34Å
202S70.3Confident88Confident58 Ų5832.7 Ų32.741%0.40617%0.169SC..SBendtrans-79.4-20.5-174.898.20000113.7K173 F197 D281K173-S202 WeakPolarHBondContact CD-O 3.44Å; K173-S202 WeakPolarHBondContact CE-O 3.37Å; K173-S202 PolarHBondContact NZ-O 2.68Å; F197-S202 WeakPolarHBondContact CB-O 3.48Å; S202-D281 WeakPolarHBondContact CB-OD1 3.45Å; S202-D281 WeakPolarHBondContact CB-OD2 3.31Å; S202-D281 PolarHBondContact OG-OD1 3.26Å
203S81.9Confident88Confident46 Ų4633.1 Ų33.132%0.32217%0.173SC..  trans-156.9122.2176.1-162.50000112.2K195 L196K195-S203 WeakPolarHBondContact CD-OG 3.22Å; L196-S203 CarbonylContact O-C 3.06Å; L196-S203 VanDerWaalsContact O-CA 3.31Å; L196-S203 WeakPolarHBondContact O-CA 3.41Å
204F86Confident88Confident3 Ų331.6 Ų31.61%0.01317%0.165CC..EExtended strand (participates in β ladder)trans-133.6126.6176.5-174-89.1000110.4L151 I154 V155 K195 L196 V201 M234 M243 A245L151-F204 HydrophobicContact CD1-CB 3.82Å; L151-F204 HydrophobicContact CD2-CB 3.97Å; L151-F204 HydrophobicContact CD2-CD1 3.88Å; L151-F204 HydrophobicContact CD2-CD2 4.21Å; L151-F204 HydrophobicContact CD2-CE1 4.43Å; L151-F204 HydrophobicContact CD2-CG 3.75Å; L151-F204 HydrophobicContact CG-CB 4.4Å; I154-F204 HydrophobicContact CB-CE2 4.34Å; I154-F204 HydrophobicContact CG2-CE2 3.73Å; I154-F204 HydrophobicContact CG2-CZ 3.81Å; V155-F204 HydrophobicContact CG2-CD2 4.17Å; V155-F204 HydrophobicContact CG2-CE2 4.35Å; K195-F204 CarbonylContact C-O 3.59Å; L196-F204 HydrophobicContact CB-CB 4.46Å; L196-F204 PolarHBondContact N-O 2.83Å; L196-F204 PolarHBondContact O-N 2.77Å; V201-F204 HydrophobicContact CG1-CB 4.34Å; F204-M234 HydrophobicContact CZ-SD 4.14Å; F204-M243 HydrophobicContact CE2-CB 3.77Å; F204-M243 HydrophobicContact CZ-CB 4.13Å; F204-A245 HydrophobicContact CE1-CB 3.66Å; F204-A245 HydrophobicContact CZ-CB 4.44Å
205P89.6Confident87.9Confident15 Ų1534.6 Ų34.610%0.09718%0.179CC..EExtended strand (participates in β ladder)trans-77.4134.4-175.428.6-30.6000112.2L194 M243 V244 A245L194-P205 WeakPolarHBondContact O-CA 3.2Å; P205-M243 WeakPolarHBondContact CD-O 3.3Å; P205-M243 WeakPolarHBondContact CG-O 3.44Å; P205-V244 HydrophobicContact CB-CB 4.44Å; P205-V244 HydrophobicContact CB-CG2 3.82Å; P205-V244 HydrophobicContact CG-CB 3.83Å; P205-V244 HydrophobicContact CG-CG2 3.77Å; P205-V244 WeakPolarHBondContact O-CG2 3.37Å; P205-A245 PolarHBondContact O-N 3.01Å
206L97.5Very high88Confident0 Ų033 Ų330%017%0.174CC..EExtended strand (participates in β ladder)trans-118.9125.4167.8175.971.7000109E193 L194 L196 V229 A245 V247E193-L206 CarbonylContact C-O 3.44Å; E193-L206 WeakPolarHBondContact CA-O 3.41Å; L194-L206 HydrophobicContact CB-CB 4.38Å; L194-L206 PolarHBondContact N-O 2.98Å; L194-L206 PolarHBondContact O-N 2.73Å; L196-L206 HydrophobicContact CD1-CB 3.79Å; L196-L206 HydrophobicContact CD1-CD2 4.1Å; L196-L206 HydrophobicContact CD1-CG 4.39Å; L196-L206 HydrophobicContact CD2-CB 4.46Å; L196-L206 HydrophobicContact CD2-CD2 4.31Å; L196-L206 HydrophobicContact CG-CB 3.91Å; L196-L206 HydrophobicContact CG-CD2 4.49Å; L206-V229 HydrophobicContact CD2-CG2 4.47Å; L206-A245 CarbonylContact C-O 3.57Å; L206-A245 WeakPolarHBondContact CA-O 3.39Å; L206-A245 HydrophobicContact CD1-CB 3.54Å; L206-V247 HydrophobicContact CD1-CG2 3.89Å; L206-V247 HydrophobicContact CD2-CG2 4.39Å; L206-V247 HydrophobicContact CG-CG2 4.24Å
207I96.7Very high87.9Confident12 Ų1232.9 Ų32.96%0.06217%0.174CC..EExtended strand (participates in β ladder)trans-110.7134.6-179.6-60.6173.1000110R191 L192 E193 W209 V244 A245 T246 V247R191-I207 HydrophobicContact CG-CG2 4.04Å; R191-I207 VanDerWaalsContact NH2-CD1 3.33Å; L192-I207 WeakPolarHBondContact O-CA 3.48Å; E193-I207 HydrophobicContact CG-CG1 4.25Å; I207-W209 HydrophobicContact CG2-CD2 4.31Å; I207-W209 HydrophobicContact CG2-CZ2 3.89Å; I207-V244 HydrophobicContact CD1-CG2 3.53Å; I207-V244 HydrophobicContact CG1-CG2 3.74Å; I207-A245 PolarHBondContact N-O 3.3Å; I207-T246 CarbonylContact O-C 3.42Å; I207-T246 WeakPolarHBondContact O-CA 3.48Å; I207-V247 PolarHBondContact O-N 2.99Å
208S96.3Very high88Confident0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-122.3143.2166.6-171.60000110.9R191 L192 A213R191-S208 WeakPolarHBondContact CA-O 3.12Å; L192-S208 PolarHBondContact N-O 2.97Å; L192-S208 PolarHBondContact O-N 2.89Å; S208-A213 WeakPolarHBondContact OG-CB 3.37Å
209W93.7Very high87.7Confident110 Ų11042.8 Ų42.842%0.41722%0.224SC..  trans-115.3-22177-54.694.3000112.5F181 Q190 R191 I207F181-W209 AromaticContact CE1-CE3 3.78Å; F181-W209 HydrophobicContact CE1-CE3 3.78Å; F181-W209 AromaticContact CE1-CZ3 3.57Å; F181-W209 HydrophobicContact CE1-CZ3 3.57Å; F181-W209 AromaticContact CZ-CE3 3.83Å; F181-W209 HydrophobicContact CZ-CE3 3.83Å; F181-W209 AromaticContact CZ-CZ3 3.66Å; F181-W209 HydrophobicContact CZ-CZ3 3.66Å; Q190-W209 WeakPolarHBondContact CG-O 3.36Å; Q190-W209 WeakPolarHBondContact O-CA 3.23Å; R191-W209 HydrophobicContact CB-CE3 3.75Å; R191-W209 HydrophobicContact CB-CH2 4.42Å; R191-W209 HydrophobicContact CB-CZ3 3.67Å; R191-W209 VanDerWaalsContact CD-CH2 3.42Å; R191-W209 HydrophobicContact CG-CD2 4.29Å; R191-W209 HydrophobicContact CG-CE3 3.82Å; R191-W209 HydrophobicContact CG-CH2 3.87Å; R191-W209 HydrophobicContact CG-CZ2 4.3Å; R191-W209 HydrophobicContact CG-CZ3 3.6Å; I207-W209 HydrophobicContact CG2-CD2 4.31Å; I207-W209 HydrophobicContact CG2-CZ2 3.89Å
210D90.9Very high88.1Confident26 Ų2638.2 Ų38.214%0.13920%0.199CC..  trans-83.3135.9-173.6178.2-83.9000110.7D34 E212 A213 I214D34-D210 VanDerWaalsContact CG-OD2 3.26Å; D34-D210 PolarHBondContact N-OD2 2.84Å; D34-D210 WeakPolarHBondContact OD2-CA 3.35Å; D210-E212 VanDerWaalsContact C-N 3.35Å; D210-E212 PolarHBondContact O-N 2.82Å; D210-E212 WeakPolarHBondContact OD1-CB 3.18Å; D210-E212 PolarHBondContact OD1-N 3.34Å; D210-A213 HydrophobicContact CB-CB 4.21Å; D210-A213 PolarHBondContact OD1-N 2.87Å; D210-I214 VanDerWaalsContact O-CB 3.3Å; D210-I214 WeakPolarHBondContact O-CB 3.15Å; D210-I214 WeakPolarHBondContact O-CD1 3.47Å; D210-I214 WeakPolarHBondContact O-CG1 3.42Å; D210-I214 PolarHBondContact O-N 3.18Å
211R91.1Very high88.4Confident90 Ų9037.1 Ų37.134%0.3419%0.19SC..Hα-helixtrans-60.3-45.4-176.1-171.5-177167.5-121.816.7112.1D34 D79 I214 Q215D34-R211 WeakPolarHBondContact OD1-CA 3.35Å; D34-R211 WeakPolarHBondContact OD1-CB 3.2Å; D34-R211 PolarHBondContact OD1-N 3.19Å; D34-R211 PolarHBondContact OD2-N 2.97Å; D79-R211 IonicContact OD1-CZ 3.54Å; D79-R211 IonicContact OD1-NH1 3.42Å; D79-R211 PolarHBondContact OD1-NH1 3Å; D79-R211 IonicContact OD1-NH2 2.7Å; D79-R211 PolarHBondContact OD1-NH2 2.81Å; R211-I214 PolarHBondContact O-N 3.32Å; R211-Q215 WeakPolarHBondContact O-CG 3.28Å; R211-Q215 PolarHBondContact O-N 2.88Å
212E91.2Very high88.8Confident8 Ų838.2 Ų38.24%0.03720%0.198CC..Hα-helixtrans-69.5-43.2-172.6-56.4-6414700109.7K32 I83 D210 Q215 L216K32-E212 HydrophobicContact CB-CB 4.1Å; K32-E212 HydrophobicContact CB-CG 4.3Å; K32-E212 HydrophobicContact CD-CB 4.45Å; K32-E212 HydrophobicContact CD-CG 3.99Å; K32-E212 VanDerWaalsContact CD-OE2 3.27Å; K32-E212 WeakPolarHBondContact CD-OE2 3.5Å; K32-E212 VanDerWaalsContact CE-OE2 3.26Å; K32-E212 WeakPolarHBondContact CE-OE2 3.38Å; K32-E212 HydrophobicContact CG-CB 4.28Å; K32-E212 HydrophobicContact CG-CG 3.91Å; K32-E212 IonicContact NZ-OE1 3.88Å; K32-E212 PolarHBondContact NZ-OE1 2.95Å; K32-E212 IonicContact NZ-OE2 3.53Å; K32-E212 PolarHBondContact NZ-OE2 2.79Å; I83-E212 HydrophobicContact CD1-CB 4.43Å; D210-E212 VanDerWaalsContact C-N 3.35Å; D210-E212 PolarHBondContact O-N 2.82Å; D210-E212 WeakPolarHBondContact OD1-CB 3.18Å; D210-E212 PolarHBondContact OD1-N 3.34Å; E212-Q215 PolarHBondContact O-N 2.97Å; E212-L216 PolarHBondContact O-N 2.89Å
213A92.6Very high89.2Confident9 Ų937.8 Ų37.87%0.07419%0.187CC..Hα-helixtrans-64.3-39.2171.900000112.6S208 D210 L216 L217 V247S208-A213 WeakPolarHBondContact OG-CB 3.37Å; D210-A213 HydrophobicContact CB-CB 4.21Å; D210-A213 PolarHBondContact OD1-N 2.87Å; A213-L216 PolarHBondContact O-N 2.84Å; A213-L217 WeakPolarHBondContact O-CB 3.33Å; A213-L217 WeakPolarHBondContact O-CD1 3.46Å; A213-L217 WeakPolarHBondContact O-CG 3.25Å; A213-L217 PolarHBondContact O-N 3.18Å; A213-V247 HydrophobicContact CB-CG1 3.97Å
214I94.3Very high89.1Confident2 Ų238.7 Ų38.71%0.0119%0.186CC..Hα-helixtrans-63.4-44.7176.8-75.5169.9000110.9T178 Q190 L192 D210 R211 L216 L217 Q218T178-I214 HydrophobicContact CG2-CG2 4.26Å; Q190-I214 HydrophobicContact CB-CD1 4.42Å; Q190-I214 HydrophobicContact CG-CD1 3.65Å; L192-I214 HydrophobicContact CB-CD1 4.06Å; L192-I214 HydrophobicContact CB-CG1 3.71Å; L192-I214 HydrophobicContact CB-CG2 4.33Å; L192-I214 HydrophobicContact CD2-CG1 4.35Å; L192-I214 HydrophobicContact CD2-CG2 4.25Å; D210-I214 VanDerWaalsContact O-CB 3.3Å; D210-I214 WeakPolarHBondContact O-CB 3.15Å; D210-I214 WeakPolarHBondContact O-CD1 3.47Å; D210-I214 WeakPolarHBondContact O-CG1 3.42Å; D210-I214 PolarHBondContact O-N 3.18Å; R211-I214 PolarHBondContact O-N 3.32Å; I214-L216 VanDerWaalsContact C-N 3.3Å; I214-L216 PolarHBondContact O-N 2.82Å; I214-L217 PolarHBondContact O-N 2.84Å; I214-L217 VanDerWaalsContact O-N 3.15Å; I214-Q218 HydrophobicContact CG2-CG 3.91Å; I214-Q218 WeakPolarHBondContact O-CB 3.32Å; I214-Q218 VanDerWaalsContact O-CG 3.25Å; I214-Q218 WeakPolarHBondContact O-CG 3.49Å; I214-Q218 PolarHBondContact O-N 2.72Å
215Q91.1Very high89.2Confident62 Ų6239 Ų3929%0.2919%0.188SC..Hα-helixtrans-58.7-41.8177.5-76.7175.3-17.600111.8R211 E212 N219R211-Q215 WeakPolarHBondContact O-CG 3.28Å; R211-Q215 PolarHBondContact O-N 2.88Å; E212-Q215 PolarHBondContact O-N 2.97Å; Q215-N219 PolarHBondContact O-ND2 2.87Å
216L91.6Very high89.5Confident41 Ų4138.3 Ų38.322%0.21518%0.184CC..Hα-helixtrans-60.9-51172.717765.8000111.4I83 E212 A213 I214 Q218 N219 I253 V255I83-L216 HydrophobicContact CD1-CD2 4.48Å; I83-L216 HydrophobicContact CG2-CD2 4.35Å; E212-L216 PolarHBondContact O-N 2.89Å; A213-L216 PolarHBondContact O-N 2.84Å; I214-L216 VanDerWaalsContact C-N 3.3Å; I214-L216 PolarHBondContact O-N 2.82Å; L216-Q218 PolarHBondContact O-N 3.17Å; L216-N219 PolarHBondContact O-N 2.74Å; L216-I253 HydrophobicContact CD2-CB 4.02Å; L216-I253 HydrophobicContact CD2-CG2 4.27Å; L216-V255 HydrophobicContact CD1-CG2 4.19Å
217L92.1Very high89.5Confident0 Ų038.3 Ų38.30%018%0.184CC..Hα-helixtrans-70.2-31.8-172.4-72.2170.2000114L192 L194 A213 I214 N219 L220 L227 V247 I253L192-L217 HydrophobicContact CD2-CB 3.73Å; L194-L217 HydrophobicContact CD1-CB 4.19Å; L194-L217 HydrophobicContact CD1-CD1 3.86Å; L194-L217 HydrophobicContact CD1-CD2 4.46Å; L194-L217 HydrophobicContact CD1-CG 4.4Å; L194-L217 HydrophobicContact CD2-CB 4.26Å; L194-L217 HydrophobicContact CD2-CD2 3.9Å; A213-L217 WeakPolarHBondContact O-CB 3.33Å; A213-L217 WeakPolarHBondContact O-CD1 3.46Å; A213-L217 WeakPolarHBondContact O-CG 3.25Å; A213-L217 PolarHBondContact O-N 3.18Å; I214-L217 PolarHBondContact O-N 2.84Å; I214-L217 VanDerWaalsContact O-N 3.15Å; L217-N219 VanDerWaalsContact C-N 3.29Å; L217-N219 PolarHBondContact O-N 3.03Å; L217-L220 HydrophobicContact CD2-CD1 3.73Å; L217-L220 WeakPolarHBondContact O-CG 3.37Å; L217-L220 PolarHBondContact O-N 2.7Å; L217-L227 HydrophobicContact CD2-CD1 4.02Å; L217-V247 HydrophobicContact CD1-CG2 4.49Å; L217-I253 HydrophobicContact CD1-CD1 3.99Å; L217-I253 HydrophobicContact CD2-CD1 3.95Å; L217-I253 HydrophobicContact CD2-CG2 4.48Å; L217-I253 HydrophobicContact CG-CD1 4.06Å
218Q88.1Confident89.6Confident87 Ų8737.9 Ų37.941%0.40718%0.182SC..Hα-helixtrans-69.4-26.6-179.5-76.1-177.9-5900113.5T178 L192 I214 L216 L220T178-Q218 VanDerWaalsContact OG1-CD 3.32Å; T178-Q218 PolarHBondContact OG1-NE2 3.18Å; L192-Q218 HydrophobicContact CD1-CG 4.35Å; L192-Q218 HydrophobicContact CD2-CG 3.85Å; I214-Q218 HydrophobicContact CG2-CG 3.91Å; I214-Q218 WeakPolarHBondContact O-CB 3.32Å; I214-Q218 VanDerWaalsContact O-CG 3.25Å; I214-Q218 WeakPolarHBondContact O-CG 3.49Å; I214-Q218 PolarHBondContact O-N 2.72Å; L216-Q218 PolarHBondContact O-N 3.17Å; Q218-L220 VanDerWaalsContact C-N 3.3Å
219N81.2Confident89.7Confident132 Ų13237.9 Ų37.971%0.70618%0.182SC*.THydrogen-bonded Turntrans-87.4-1.7-177.2-67.4-31000113Q215 L216 L217Q215-N219 PolarHBondContact O-ND2 2.87Å; L216-N219 PolarHBondContact O-N 2.74Å; L217-N219 VanDerWaalsContact C-N 3.29Å; L217-N219 PolarHBondContact O-N 3.03Å
220L85.5Confident89.8Confident22 Ų2232.7 Ų32.712%0.11516%0.162CC..SBendtrans-74155.1179.8-55-179.4000111.6V172 I175 L217 Q218 P222 T225 L227 V255V172-L220 HydrophobicContact CG2-CD1 4.21Å; I175-L220 HydrophobicContact CD1-CB 3.94Å; I175-L220 WeakPolarHBondContact CD1-O 3.41Å; L217-L220 HydrophobicContact CD2-CD1 3.73Å; L217-L220 WeakPolarHBondContact O-CG 3.37Å; L217-L220 PolarHBondContact O-N 2.7Å; Q218-L220 VanDerWaalsContact C-N 3.3Å; L220-P222 WeakPolarHBondContact O-CD 3.18Å; L220-T225 HydrophobicContact CB-CG2 4.32Å; L220-T225 HydrophobicContact CD1-CG2 4.24Å; L220-T225 HydrophobicContact CD2-CG2 4.15Å; L220-T225 HydrophobicContact CG-CG2 4.46Å; L220-L227 HydrophobicContact CD1-CD1 4.04Å; L220-L227 HydrophobicContact CD1-CD2 3.81Å; L220-L227 HydrophobicContact CD1-CG 4.42Å; L220-V255 HydrophobicContact CD2-CG1 3.86Å; L220-V255 HydrophobicContact CD2-CG2 3.93Å
221V81Confident90.1Very high33 Ų3332.8 Ų32.820%0.216%0.163CC..  trans-98.5112.7175.8-1740000109.3E224 T225 L355V221-E224 HydrophobicContact CB-CB 4.19Å; V221-E224 HydrophobicContact CG1-CB 3.95Å; V221-E224 HydrophobicContact CG1-CG 4.05Å; V221-E224 PolarHBondContact O-N 3.32Å; V221-T225 PolarHBondContact N-OG1 2.82Å; V221-T225 WeakPolarHBondContact O-CB 3.31Å; V221-T225 PolarHBondContact O-N 2.84Å; V221-T225 VanDerWaalsContact O-N 3.17Å; V221-T225 PolarHBondContact O-OG1 3.23Å; V221-L355 HydrophobicContact CG2-CB 4.39Å; V221-L355 HydrophobicContact CG2-CD1 3.26Å; V221-L355 HydrophobicContact CG2-CG 4.44Å
222P82.9Confident90.3Very high47 Ų4728.5 Ų28.531%0.30515%0.146SC..THydrogen-bonded Turntrans-59.5146.7174.9-18.129.6000111.3V172 K173 I175 L220 E224V172-P222 HydrophobicContact CG1-CB 4.4Å; V172-P222 CarbonylContact O-C 3.52Å; K173-P222 WeakPolarHBondContact O-CB 3.47Å; I175-P222 HydrophobicContact CD1-CG 3.81Å; I175-P222 HydrophobicContact CG1-CG 4.03Å; L220-P222 WeakPolarHBondContact O-CD 3.18Å; P222-E224 PolarHBondContact O-N 2.89Å
223R78.6Confident90.6Very high48 Ų4832.8 Ų32.818%0.18117%0.165CC..THydrogen-bonded Turntrans62.510.2-178.1-45.9179.9-168-89.530.4114.7V172 V269 L278 D279V172-R223 PolarHBondContact O-N 3.43Å; R223-V269 WeakPolarHBondContact O-CG1 3.45Å; R223-L278 HydrophobicContact CB-CD1 4.38Å; R223-L278 HydrophobicContact CG-CD1 4.42Å; R223-L278 VanDerWaalsContact NH1-CB 3.3Å; R223-L278 PolarHBondContact NH1-O 2.89Å; R223-L278 PolarHBondContact NH2-O 3.38Å; R223-D279 IonicContact CZ-OD1 3.01Å; R223-D279 IonicContact NE-OD1 2.82Å; R223-D279 IonicContact NH2-OD1 3.37Å; R223-D279 PolarHBondContact NH2-OD1 3.01Å
224E79.4Confident90.7Very high66 Ų6632.4 Ų32.431%0.30816%0.162SC..THydrogen-bonded Turntrans-133.7-6.7175.7-61.9-176.6-172.300112.1V221 P222 F266V221-E224 HydrophobicContact CB-CB 4.19Å; V221-E224 HydrophobicContact CG1-CB 3.95Å; V221-E224 HydrophobicContact CG1-CG 4.05Å; V221-E224 PolarHBondContact O-N 3.32Å; P222-E224 PolarHBondContact O-N 2.89Å; E224-F266 VanDerWaalsContact O-CE2 3.3Å; E224-F266 WeakPolarHBondContact O-CE2 3.41Å
225T88.5Confident90.6Very high8 Ų833.6 Ų33.65%0.04917%0.17CC..  trans-112.1128.2-177.1-52.80000110.7A171 V172 L220 V221 L227 V255 N256A171-T225 CarbonylContact C-O 3.58Å; A171-T225 WeakPolarHBondContact CA-O 3.48Å; V172-T225 HydrophobicContact CG2-CG2 4.28Å; V172-T225 PolarHBondContact N-O 3.13Å; L220-T225 HydrophobicContact CB-CG2 4.32Å; L220-T225 HydrophobicContact CD1-CG2 4.24Å; L220-T225 HydrophobicContact CD2-CG2 4.15Å; L220-T225 HydrophobicContact CG-CG2 4.46Å; V221-T225 PolarHBondContact N-OG1 2.82Å; V221-T225 WeakPolarHBondContact O-CB 3.31Å; V221-T225 PolarHBondContact O-N 2.84Å; V221-T225 VanDerWaalsContact O-N 3.17Å; V221-T225 PolarHBondContact O-OG1 3.23Å; T225-L227 HydrophobicContact CG2-CD2 3.84Å; T225-L227 HydrophobicContact CG2-CG 4.45Å; T225-V255 HydrophobicContact CG2-CG1 3.67Å; T225-N256 WeakPolarHBondContact CA-OD1 3.19Å
226V95.3Very high90.1Very high1 Ų133.3 Ų33.31%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-102.4137.2168.3175.60000109L169 A171 N256 A262 L265 F266L169-V226 HydrophobicContact CD1-CG1 3.68Å; L169-V226 HydrophobicContact CG-CG1 4.41Å; A171-V226 HydrophobicContact CB-CG2 4.33Å; V226-N256 PolarHBondContact N-OD1 2.79Å; V226-N256 WeakPolarHBondContact O-CA 3.41Å; V226-N256 PolarHBondContact O-N 3.18Å; V226-N256 PolarHBondContact O-OD1 3.01Å; V226-A262 HydrophobicContact CG1-CB 4.05Å; V226-L265 HydrophobicContact CG1-CD2 4Å; V226-L265 HydrophobicContact CG2-CD2 4.36Å; V226-L265 HydrophobicContact CG2-CG 4.21Å; V226-F266 HydrophobicContact CG2-CB 4.12Å; V226-F266 HydrophobicContact CG2-CD2 4.42Å
227L97.8Very high89.4Confident1 Ų133.1 Ų33.11%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-118133.7179.1-60-178.2000110L169 A170 V172 L196 L217 L220 T225 V229 I253 V255L169-L227 WeakPolarHBondContact CA-O 3.26Å; A170-L227 PolarHBondContact N-O 3.01Å; A170-L227 PolarHBondContact O-N 3.18Å; V172-L227 HydrophobicContact CG2-CD1 3.51Å; V172-L227 HydrophobicContact CG2-CD2 4.45Å; V172-L227 HydrophobicContact CG2-CG 3.7Å; L196-L227 HydrophobicContact CD2-CD1 4.22Å; L217-L227 HydrophobicContact CD2-CD1 4.02Å; L220-L227 HydrophobicContact CD1-CD1 4.04Å; L220-L227 HydrophobicContact CD1-CD2 3.81Å; L220-L227 HydrophobicContact CD1-CG 4.42Å; T225-L227 HydrophobicContact CG2-CD2 3.84Å; T225-L227 HydrophobicContact CG2-CG 4.45Å; L227-V229 HydrophobicContact CB-CG2 3.96Å; L227-I253 HydrophobicContact CD1-CG2 4.45Å; L227-I253 HydrophobicContact CD2-CG2 4Å; L227-V255 HydrophobicContact CD2-CB 4.32Å; L227-V255 HydrophobicContact CD2-CG1 4.34Å; L227-V255 HydrophobicContact CD2-CG2 3.9Å
228F97.9Very high88.4Confident2 Ų238.1 Ų38.11%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-101.5110.3157.3-174.2-85.5000108.1P141 K143 F148 N167 V168 L169 A230 T254 P257P141-F228 HydrophobicContact CB-CD1 3.92Å; P141-F228 HydrophobicContact CB-CE1 4.03Å; P141-F228 HydrophobicContact CB-CG 4.31Å; P141-F228 HydrophobicContact CB-CZ 4.49Å; P141-F228 HydrophobicContact CG-CD1 4.46Å; P141-F228 HydrophobicContact CG-CG 4.36Å; K143-F228 HydrophobicContact CB-CE1 4.01Å; K143-F228 HydrophobicContact CB-CZ 4.04Å; K143-F228 HydrophobicContact CG-CE1 4.38Å; F148-F228 HydrophobicContact CB-CE2 4.07Å; F148-F228 HydrophobicContact CD1-CE2 4.33Å; N167-F228 HydrophobicContact CB-CE1 4.28Å; N167-F228 HydrophobicContact CB-CE2 4.48Å; N167-F228 HydrophobicContact CB-CZ 3.86Å; V168-F228 CarbonylContact O-C 3.58Å; V168-F228 WeakPolarHBondContact O-CA 3.42Å; L169-F228 HydrophobicContact CB-CD2 4.24Å; L169-F228 HydrophobicContact CD1-CB 4.13Å; L169-F228 HydrophobicContact CD1-CD2 4.2Å; F228-A230 HydrophobicContact CD1-CB 4.29Å; F228-A230 HydrophobicContact CE1-CB 3.94Å; F228-T254 PolarHBondContact N-O 3.4Å; F228-T254 PolarHBondContact O-N 2.87Å; F228-P257 HydrophobicContact CB-CB 4.32Å; F228-P257 HydrophobicContact CB-CG 3.55Å
229V97.9Very high86.9Confident1 Ų143 Ų431%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-102.399.4-177.5-168.90000107.8N167 V168 L206 L227 T232 T251 I253N167-V229 WeakPolarHBondContact CA-O 3.26Å; V168-V229 PolarHBondContact N-O 3.23Å; V168-V229 PolarHBondContact O-N 2.86Å; L206-V229 HydrophobicContact CD2-CG2 4.47Å; L227-V229 HydrophobicContact CB-CG2 3.96Å; V229-T232 HydrophobicContact CG1-CG2 4.26Å; V229-T251 HydrophobicContact CG1-CG2 3.53Å; V229-I253 HydrophobicContact CG1-CG1 4.35Å
230A97.3Very high86.2Confident0 Ų042 Ų420%021%0.209CC..EExtended strand (participates in β ladder)trans-81.5140.4-17900000111.3V142 K143 N167 F228 T232 T251 I252V142-A230 HydrophobicContact CG2-CB 3.58Å; K143-A230 HydrophobicContact CG-CB 3.93Å; N167-A230 WeakPolarHBondContact OD1-CA 3.39Å; F228-A230 HydrophobicContact CD1-CB 4.29Å; F228-A230 HydrophobicContact CE1-CB 3.94Å; A230-T232 VanDerWaalsContact C-N 3.33Å; A230-T232 PolarHBondContact O-N 3.28Å; A230-T251 VanDerWaalsContact O-CA 3.23Å; A230-T251 WeakPolarHBondContact O-CA 3.37Å; A230-T251 VanDerWaalsContact O-CG2 3.3Å; A230-T251 WeakPolarHBondContact O-CG2 3.39Å; A230-I252 PolarHBondContact N-O 2.91Å; A230-I252 PolarHBondContact O-N 3.2Å
231D96Very high85.2Confident28 Ų2843.4 Ų43.415%0.1523%0.229CC..EExtended strand (participates in β ladder)trans50.548.1176.9-62.6-37.7000112.8K143 V165 N167 T251K143-D231 VanDerWaalsContact CE-CG 3.5Å; K143-D231 WeakPolarHBondContact CE-OD1 3.24Å; K143-D231 WeakPolarHBondContact CE-OD2 3.18Å; K143-D231 VanDerWaalsContact NZ-CG 3.33Å; K143-D231 IonicContact NZ-OD1 2.7Å; K143-D231 PolarHBondContact NZ-OD1 3.06Å; K143-D231 VanDerWaalsContact NZ-OD1 3.1Å; K143-D231 IonicContact NZ-OD2 3.3Å; K143-D231 PolarHBondContact NZ-OD2 3.1Å; V165-D231 HydrophobicContact CG1-CB 3.7Å; N167-D231 PolarHBondContact OD1-N 3.44Å; D231-T251 PolarHBondContact O-OG1 2.99Å
232T96.4Very high84.9Confident0 Ų043.9 Ų43.90%023%0.233CC..EExtended strand (participates in β ladder)trans-86.5141.3174.2-160.70000111.1V165 I166 V168 V229 A230 M234 A245 T246V165-T232 WeakPolarHBondContact CA-O 3.39Å; I166-T232 PolarHBondContact N-O 3.3Å; I166-T232 WeakPolarHBondContact O-CG2 3.01Å; I166-T232 PolarHBondContact O-N 3.13Å; V168-T232 HydrophobicContact CG2-CG2 3.92Å; V229-T232 HydrophobicContact CG1-CG2 4.26Å; A230-T232 VanDerWaalsContact C-N 3.33Å; A230-T232 PolarHBondContact O-N 3.28Å; T232-M234 HydrophobicContact CG2-CE 3.2Å; T232-M234 HydrophobicContact CG2-SD 4.47Å; T232-A245 HydrophobicContact CG2-CB 3.93Å; T232-T246 PolarHBondContact OG1-O 3.38Å; T232-T246 VanDerWaalsContact OG1-O 3.07Å
233K96.6Very high85Confident99 Ų9942 Ų4243%0.4322%0.22SC..EExtended strand (participates in β ladder)trans-83.5124.2-178.9-178-177.1176.6-173.90109.8A164 A245 T246A164-K233 WeakPolarHBondContact O-CA 3.4Å; K233-A245 CarbonylContact O-C 3.47Å; K233-A245 WeakPolarHBondContact O-CA 3.29Å; K233-T246 PolarHBondContact N-O 2.82Å; K233-T246 PolarHBondContact O-N 3.17Å
234M95.1Very high85.5Confident0 Ų040 Ų400%021%0.213CC..EExtended strand (participates in β ladder)trans-85.9140.5170.5-62.2-54.9159.300110.7I154 L161 G163 A164 I166 V168 F204 T232 M243 A245I154-M234 HydrophobicContact CD1-CE 3.92Å; I154-M234 HydrophobicContact CD1-SD 4.47Å; I154-M234 HydrophobicContact CG2-SD 4.1Å; L161-M234 HydrophobicContact CB-CB 4.44Å; L161-M234 WeakPolarHBondContact O-CB 3.33Å; G163-M234 WeakPolarHBondContact CA-O 3.29Å; G163-M234 PolarHBondContact N-O 3Å; A164-M234 PolarHBondContact O-N 2.83Å; I166-M234 HydrophobicContact CD1-CE 3.6Å; I166-M234 HydrophobicContact CD1-CG 3.52Å; I166-M234 HydrophobicContact CD1-SD 4.22Å; I166-M234 HydrophobicContact CG1-CE 3.35Å; I166-M234 HydrophobicContact CG1-CG 3.66Å; I166-M234 HydrophobicContact CG1-SD 4.35Å; V168-M234 HydrophobicContact CG2-CE 3.31Å; F204-M234 HydrophobicContact CZ-SD 4.14Å; T232-M234 HydrophobicContact CG2-CE 3.2Å; T232-M234 HydrophobicContact CG2-SD 4.47Å; M234-M243 HydrophobicContact CB-CE 3.86Å; M234-A245 HydrophobicContact CE-CB 3.98Å; M234-A245 HydrophobicContact SD-CB 3.94Å
235S92.2Very high86.3Confident27 Ų2736.9 Ų36.919%0.18920%0.199CC..EExtended strand (participates in β ladder)trans-146.1151.2171.648.70000111.2D162 V244D162-S235 WeakPolarHBondContact OD1-CA 3.2Å; S235-V244 PolarHBondContact N-O 2.96Å; S235-V244 WeakPolarHBondContact O-CG1 3.4Å; S235-V244 PolarHBondContact O-N 3.05Å; S235-V244 WeakPolarHBondContact OG-CG1 3.36Å; S235-V244 PolarHBondContact OG-O 3.17Å
236F80Confident86.8Confident56 Ų5637.6 Ų37.625%0.24620%0.204CC..EExtended strand (participates in β ladder)trans-89.8116.1172.9-171.7-97.7000110.3Q159 D162 S238 M243Q159-F236 HydrophobicContact CG-CB 3.97Å; Q159-F236 HydrophobicContact CG-CD1 3.78Å; Q159-F236 HydrophobicContact CG-CD2 3.53Å; Q159-F236 HydrophobicContact CG-CE1 4.11Å; Q159-F236 HydrophobicContact CG-CE2 3.88Å; Q159-F236 HydrophobicContact CG-CG 3.47Å; Q159-F236 VanDerWaalsContact CG-CG 3.47Å; Q159-F236 HydrophobicContact CG-CZ 4.15Å; D162-F236 PolarHBondContact OD1-N 3.18Å; F236-S238 PolarHBondContact O-N 2.74Å; F236-M243 HydrophobicContact CB-SD 3.88Å; F236-M243 HydrophobicContact CD2-SD 3.69Å; F236-M243 HydrophobicContact CG-SD 4.29Å
237D77.1Confident86.8Confident37 Ų3738.1 Ų38.120%0.19821%0.207CC..EExtended strand (participates in β ladder)trans-81.399172.4-175.1-22.1000108.6F239 R240 G241 S242 V244D237-F239 PolarHBondContact O-N 2.72Å; D237-F239 WeakPolarHBondContact OD1-CA 3.5Å; D237-F239 VanDerWaalsContact OD1-CB 3.3Å; D237-F239 WeakPolarHBondContact OD1-CB 3.29Å; D237-F239 PolarHBondContact OD1-N 3.47Å; D237-R240 HydrophobicContact CB-CB 4.19Å; D237-R240 HydrophobicContact CB-CG 4.48Å; D237-R240 CarbonylContact O-C 3.52Å; D237-R240 PolarHBondContact O-N 3.12Å; D237-R240 PolarHBondContact OD1-N 3.08Å; D237-R240 VanDerWaalsContact OD1-N 3.12Å; D237-R240 VanDerWaalsContact OD2-CD 3.25Å; D237-R240 WeakPolarHBondContact OD2-CD 3.44Å; D237-R240 WeakPolarHBondContact OD2-CG 3.39Å; D237-R240 IonicContact OD2-NE 2.72Å; D237-R240 PolarHBondContact OD2-NE 3.04Å; D237-G241 WeakPolarHBondContact O-CA 3.44Å; D237-G241 PolarHBondContact O-N 2.75Å; D237-S242 PolarHBondContact N-O 2.82Å; D237-S242 PolarHBondContact O-N 3.02Å; D237-V244 HydrophobicContact CB-CG1 4.21Å
238S71.3Confident86.6Confident106 Ų10640.1 Ų40.174%0.74122%0.221SC*.THydrogen-bonded Turntrans-64-23.2179.958.20000113.8F236F236-S238 PolarHBondContact O-N 2.74Å
239F56.8Low86.3Confident189 Ų18941.5 Ų41.583%0.82923%0.231SC*.THydrogen-bonded Turntrans-75.1-36.7175.8177-94.5000111.4D237D237-F239 PolarHBondContact O-N 2.72Å; D237-F239 WeakPolarHBondContact OD1-CA 3.5Å; D237-F239 VanDerWaalsContact OD1-CB 3.3Å; D237-F239 WeakPolarHBondContact OD1-CB 3.29Å; D237-F239 PolarHBondContact OD1-N 3.47Å
240R66.9Low86Confident112 Ų11244.8 Ų44.842%0.42325%0.245SC..THydrogen-bonded Turntrans-90.8-13.3176.6-62-177.1-167.9-1464.6113.7E193 D237 S242E193-R240 IonicContact OE1-CZ 2.88Å; E193-R240 IonicContact OE1-NH1 3.7Å; E193-R240 PolarHBondContact OE1-NH1 3.47Å; E193-R240 IonicContact OE1-NH2 3.18Å; E193-R240 PolarHBondContact OE1-NH2 3.06Å; E193-R240 VanDerWaalsContact OE1-NH2 3.16Å; E193-R240 IonicContact OE2-CZ 3.94Å; E193-R240 IonicContact OE2-NH1 2.98Å; E193-R240 IonicContact OE2-NH2 3.17Å; E193-R240 PolarHBondContact OE2-NH2 3.26Å; D237-R240 HydrophobicContact CB-CB 4.19Å; D237-R240 HydrophobicContact CB-CG 4.48Å; D237-R240 CarbonylContact O-C 3.52Å; D237-R240 PolarHBondContact O-N 3.12Å; D237-R240 PolarHBondContact OD1-N 3.08Å; D237-R240 VanDerWaalsContact OD1-N 3.12Å; D237-R240 VanDerWaalsContact OD2-CD 3.25Å; D237-R240 WeakPolarHBondContact OD2-CD 3.44Å; D237-R240 WeakPolarHBondContact OD2-CG 3.39Å; D237-R240 IonicContact OD2-NE 2.72Å; D237-R240 PolarHBondContact OD2-NE 3.04Å; R240-S242 PolarHBondContact O-N 3.41Å
241G64.7Low85.9Confident51 Ų5145.5 Ų45.553%0.52625%0.249SC..THydrogen-bonded Turntrans62.428.3-17200000113.1D237D237-G241 WeakPolarHBondContact O-CA 3.44Å; D237-G241 PolarHBondContact O-N 2.75Å
242S75.3Confident86Confident42 Ų4244.4 Ų44.429%0.29424%0.243SC..EExtended strand (participates in β ladder)trans-140.9158.4-17369.10000113.4D237 R240D237-S242 PolarHBondContact N-O 2.82Å; D237-S242 PolarHBondContact O-N 3.02Å; R240-S242 PolarHBondContact O-N 3.41Å
243M83.9Confident86Confident7 Ų745.2 Ų45.23%0.03425%0.247CC..EExtended strand (participates in β ladder)trans-72.1144.9173.8-68.2-55.3-67.500111.2I154 L161 F204 P205 M234 F236I154-M243 HydrophobicContact CG2-CB 4Å; I154-M243 HydrophobicContact CG2-CG 4.23Å; L161-M243 HydrophobicContact CB-CE 3.98Å; F204-M243 HydrophobicContact CE2-CB 3.77Å; F204-M243 HydrophobicContact CZ-CB 4.13Å; P205-M243 WeakPolarHBondContact CD-O 3.3Å; P205-M243 WeakPolarHBondContact CG-O 3.44Å; M234-M243 HydrophobicContact CB-CE 3.86Å; F236-M243 HydrophobicContact CB-SD 3.88Å; F236-M243 HydrophobicContact CD2-SD 3.69Å; F236-M243 HydrophobicContact CG-SD 4.29Å
244V88.9Confident86.1Confident6 Ų640.7 Ų40.74%0.03623%0.228CC..EExtended strand (participates in β ladder)trans-136.3134.4176.364.40000110.8P205 I207 S235 D237P205-V244 HydrophobicContact CB-CB 4.44Å; P205-V244 HydrophobicContact CB-CG2 3.82Å; P205-V244 HydrophobicContact CG-CB 3.83Å; P205-V244 HydrophobicContact CG-CG2 3.77Å; P205-V244 WeakPolarHBondContact O-CG2 3.37Å; I207-V244 HydrophobicContact CD1-CG2 3.53Å; I207-V244 HydrophobicContact CG1-CG2 3.74Å; S235-V244 PolarHBondContact N-O 2.96Å; S235-V244 WeakPolarHBondContact O-CG1 3.4Å; S235-V244 PolarHBondContact O-N 3.05Å; S235-V244 WeakPolarHBondContact OG-CG1 3.36Å; S235-V244 PolarHBondContact OG-O 3.17Å; D237-V244 HydrophobicContact CB-CG1 4.21Å
245A97.4Very high86.1Confident1 Ų142.1 Ų42.11%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-86.1141.3169.500000110.2F204 P205 L206 I207 T232 K233 M234F204-A245 HydrophobicContact CE1-CB 3.66Å; F204-A245 HydrophobicContact CZ-CB 4.44Å; P205-A245 PolarHBondContact O-N 3.01Å; L206-A245 CarbonylContact C-O 3.57Å; L206-A245 WeakPolarHBondContact CA-O 3.39Å; L206-A245 HydrophobicContact CD1-CB 3.54Å; I207-A245 PolarHBondContact N-O 3.3Å; T232-A245 HydrophobicContact CG2-CB 3.93Å; K233-A245 CarbonylContact O-C 3.47Å; K233-A245 WeakPolarHBondContact O-CA 3.29Å; M234-A245 HydrophobicContact CE-CB 3.98Å; M234-A245 HydrophobicContact SD-CB 3.94Å
246T97.5Very high86.2Confident24 Ų2443.7 Ų43.715%0.14724%0.243CC..EExtended strand (participates in β ladder)trans-128123.5177.3-58.80000110.1I207 T232 K233 S248I207-T246 CarbonylContact O-C 3.42Å; I207-T246 WeakPolarHBondContact O-CA 3.48Å; T232-T246 PolarHBondContact OG1-O 3.38Å; T232-T246 VanDerWaalsContact OG1-O 3.07Å; K233-T246 PolarHBondContact N-O 2.82Å; K233-T246 PolarHBondContact O-N 3.17Å; T246-S248 PolarHBondContact O-N 2.77Å
247V96.5Very high86.8Confident11 Ų1141.2 Ų41.27%0.06723%0.233CC..  trans-66.4129.5170.8-177.60000108.9L206 I207 A213 L217 T251 I253L206-V247 HydrophobicContact CD1-CG2 3.89Å; L206-V247 HydrophobicContact CD2-CG2 4.39Å; L206-V247 HydrophobicContact CG-CG2 4.24Å; I207-V247 PolarHBondContact O-N 2.99Å; A213-V247 HydrophobicContact CB-CG1 3.97Å; L217-V247 HydrophobicContact CD1-CG2 4.49Å; V247-T251 HydrophobicContact CB-CG2 4.45Å; V247-T251 HydrophobicContact CG1-CG2 3.97Å; V247-T251 HydrophobicContact CG2-CG2 4.48Å; V247-I253 HydrophobicContact CG1-CD1 4.33Å; V247-I253 HydrophobicContact CG2-CD1 4.11Å
248S92.8Very high87.5Confident43 Ų4344.5 Ų44.530%0.30125%0.25SS..  trans-123176.4179.1780000111T246 K250 T251T246-S248 PolarHBondContact O-N 2.77Å; S248-K250 PolarHBondContact O-N 3.43Å; S248-K250 PolarHBondContact OG-N 2.94Å; S248-T251 PolarHBondContact N-OG1 2.86Å; S248-T251 WeakPolarHBondContact O-CB 3.32Å; S248-T251 PolarHBondContact O-N 2.79Å; S248-T251 PolarHBondContact O-OG1 3.43Å; S248-T251 PolarHBondContact OG-OG1 2.75Å
249S90.8Very high88.5Confident31 Ų3140.3 Ų40.322%0.21722%0.22CC..THydrogen-bonded Turntrans-67.1-4.8175.967.30000114.6F105 P107F105-S249 WeakPolarHBondContact O-CB 3.46Å; F105-S249 PolarHBondContact O-OG 2.89Å; P107-S249 WeakPolarHBondContact CD-O 3.38Å
250K92.8Very high90.2Very high70 Ų7039 Ų3930%0.30421%0.21SC..THydrogen-bonded Turntrans-97-16.7172.3-57.4-171178.1-173.10113.2D103 K104 S248D103-K250 WeakPolarHBondContact O-CE 3.38Å; D103-K250 PolarHBondContact O-NZ 2.97Å; K104-K250 WeakPolarHBondContact O-CE 3.43Å; K104-K250 PolarHBondContact O-NZ 2.8Å; S248-K250 PolarHBondContact O-N 3.43Å; S248-K250 PolarHBondContact OG-N 2.94Å
251T95.9Very high91.3Very high15 Ų1535.1 Ų35.19%0.09220%0.196CC..  trans-76.9132.1-170.4-56.40000109.8V229 A230 D231 V247 S248 I253V229-T251 HydrophobicContact CG1-CG2 3.53Å; A230-T251 VanDerWaalsContact O-CA 3.23Å; A230-T251 WeakPolarHBondContact O-CA 3.37Å; A230-T251 VanDerWaalsContact O-CG2 3.3Å; A230-T251 WeakPolarHBondContact O-CG2 3.39Å; D231-T251 PolarHBondContact O-OG1 2.99Å; V247-T251 HydrophobicContact CB-CG2 4.45Å; V247-T251 HydrophobicContact CG1-CG2 3.97Å; V247-T251 HydrophobicContact CG2-CG2 4.48Å; S248-T251 PolarHBondContact N-OG1 2.86Å; S248-T251 WeakPolarHBondContact O-CB 3.32Å; S248-T251 PolarHBondContact O-N 2.79Å; S248-T251 PolarHBondContact O-OG1 3.43Å; S248-T251 PolarHBondContact OG-OG1 2.75Å; T251-I253 HydrophobicContact CG2-CG1 4.27Å
252I96.9Very high92.6Very high5 Ų532.9 Ų32.93%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-115.3132.4170.3-67.5179.4000107.8I30 T54 P107 V142 A230I30-I252 HydrophobicContact CD1-CD1 4.08Å; T54-I252 HydrophobicContact CG2-CD1 4.39Å; P107-I252 HydrophobicContact CB-CD1 3.55Å; P107-I252 HydrophobicContact CB-CG1 3.95Å; P107-I252 HydrophobicContact CG-CD1 3.77Å; P107-I252 HydrophobicContact CG-CG1 3.78Å; V142-I252 HydrophobicContact CB-CD1 4.46Å; V142-I252 HydrophobicContact CG1-CD1 4Å; V142-I252 HydrophobicContact CG1-CG2 3.91Å; V142-I252 HydrophobicContact CG2-CB 3.88Å; V142-I252 HydrophobicContact CG2-CD1 4.11Å; V142-I252 HydrophobicContact CG2-CG2 3.97Å; A230-I252 PolarHBondContact N-O 2.91Å; A230-I252 PolarHBondContact O-N 3.2Å
253I97.5Very high93.3Very high17 Ų1734.1 Ų34.19%0.08718%0.182CC..EExtended strand (participates in β ladder)trans-109.3111.1-177.7-55.2177.1000107.8L216 L217 L227 V229 V247 T251 V255L216-I253 HydrophobicContact CD2-CB 4.02Å; L216-I253 HydrophobicContact CD2-CG2 4.27Å; L217-I253 HydrophobicContact CD1-CD1 3.99Å; L217-I253 HydrophobicContact CD2-CD1 3.95Å; L217-I253 HydrophobicContact CD2-CG2 4.48Å; L217-I253 HydrophobicContact CG-CD1 4.06Å; L227-I253 HydrophobicContact CD1-CG2 4.45Å; L227-I253 HydrophobicContact CD2-CG2 4Å; V229-I253 HydrophobicContact CG1-CG1 4.35Å; V247-I253 HydrophobicContact CG1-CD1 4.33Å; V247-I253 HydrophobicContact CG2-CD1 4.11Å; T251-I253 HydrophobicContact CG2-CG1 4.27Å; I253-V255 HydrophobicContact CG2-CG2 4.44Å
254T97.4Very high93.4Very high4 Ų439.2 Ų39.23%0.02521%0.208CC..EExtended strand (participates in β ladder)trans-93.5117.4172.1-59.80000108.3L138 L140 F228 P257L138-T254 WeakPolarHBondContact O-CG2 3.46Å; L140-T254 PolarHBondContact O-OG1 2.85Å; F228-T254 PolarHBondContact N-O 3.4Å; F228-T254 PolarHBondContact O-N 2.87Å; T254-P257 HydrophobicContact CG2-CB 3.99Å; T254-P257 HydrophobicContact CG2-CG 4.28Å
255V95.3Very high93.4Very high30 Ų3039.7 Ų39.718%0.18221%0.211CC..EExtended strand (participates in β ladder)trans-89.6130.4179.9-178.40000109.3H139 L216 L220 T225 L227 I253H139-V255 PolarHBondContact ND1-O 2.84Å; L216-V255 HydrophobicContact CD1-CG2 4.19Å; L220-V255 HydrophobicContact CD2-CG1 3.86Å; L220-V255 HydrophobicContact CD2-CG2 3.93Å; T225-V255 HydrophobicContact CG2-CG1 3.67Å; L227-V255 HydrophobicContact CD2-CB 4.32Å; L227-V255 HydrophobicContact CD2-CG1 4.34Å; L227-V255 HydrophobicContact CD2-CG2 3.9Å; I253-V255 HydrophobicContact CG2-CG2 4.44Å
256N93.4Very high92.8Very high60 Ų6043.9 Ų43.932%0.32123%0.229SC..SBendtrans46.170.8-176.4-63.2-29.7000111.5H139 T225 V226 D258H139-N256 PolarHBondContact ND1-O 3.01Å; H139-N256 VanDerWaalsContact ND1-O 3.12Å; T225-N256 WeakPolarHBondContact CA-OD1 3.19Å; V226-N256 PolarHBondContact N-OD1 2.79Å; V226-N256 WeakPolarHBondContact O-CA 3.41Å; V226-N256 PolarHBondContact O-N 3.18Å; V226-N256 PolarHBondContact O-OD1 3.01Å; N256-D258 PolarHBondContact O-N 2.9Å
257P94.3Very high92.1Very high5 Ų545.8 Ų45.83%0.03224%0.243CC..  trans-64.2136.5-175.6-5.515.3000111.6H139 P141 L169 F228 T254 T259 A262H139-P257 CarbonylContact O-C 3.53Å; H139-P257 WeakPolarHBondContact O-CA 3.44Å; P141-P257 HydrophobicContact CG-CB 3.98Å; L169-P257 HydrophobicContact CD1-CG 4.02Å; F228-P257 HydrophobicContact CB-CB 4.32Å; F228-P257 HydrophobicContact CB-CG 3.55Å; T254-P257 HydrophobicContact CG2-CB 3.99Å; T254-P257 HydrophobicContact CG2-CG 4.28Å; P257-T259 HydrophobicContact CB-CG2 4.11Å; P257-T259 PolarHBondContact O-N 3.44Å; P257-A262 HydrophobicContact CB-CB 4.07Å; P257-A262 HydrophobicContact CG-CB 3.9Å; P257-A262 WeakPolarHBondContact O-CB 3.4Å
258D90.8Very high91.2Very high106 Ų10649.1 Ų49.157%0.56726%0.255SS*.SBendtrans-77.164.1175.8-75-19.6000110.7H139 N256H139-D258 HydrophobicContact CB-CB 4.24Å; H139-D258 WeakPolarHBondContact CB-OD2 3.33Å; H139-D258 PolarHBondContact O-N 3.42Å; N256-D258 PolarHBondContact O-N 2.9Å
259T92.9Very high90.3Very high17 Ų1747.2 Ų47.210%0.10424%0.241CC..SBendtrans-130.8156.8-178.266.20000110.3P141 P257 E261 A262 S263P141-T259 HydrophobicContact CG-CG2 3.77Å; P257-T259 HydrophobicContact CB-CG2 4.11Å; P257-T259 PolarHBondContact O-N 3.44Å; T259-E261 VanDerWaalsContact C-N 3.34Å; T259-A262 WeakPolarHBondContact OG1-CB 3.47Å; T259-A262 PolarHBondContact OG1-N 3.33Å; T259-S263 WeakPolarHBondContact O-CB 3.29Å; T259-S263 PolarHBondContact O-N 3.02Å; T259-S263 PolarHBondContact O-OG 3.38Å
260R91.4Very high89.4Confident162 Ų16250.8 Ų50.861%0.61125%0.253SS*.Hα-helixtrans-63.9-43.5178-177.4-175.164.1163.73.8111S263 L264R260-S263 WeakPolarHBondContact O-CB 3.35Å; R260-S263 PolarHBondContact O-N 3.24Å; R260-L264 HydrophobicContact CG-CD1 4.36Å; R260-L264 WeakPolarHBondContact O-CG 3.34Å; R260-L264 PolarHBondContact O-N 2.91Å
261E91.3Very high88.1Confident31 Ų3152.2 Ų52.215%0.14526%0.264CS..Hα-helixtrans-62.7-43.7-178.9-66.667.4-148.100110.9F148 L169 T259 L264 L265F148-E261 HydrophobicContact CE1-CB 4.27Å; F148-E261 HydrophobicContact CE1-CG 4.2Å; F148-E261 HydrophobicContact CZ-CB 4.4Å; F148-E261 HydrophobicContact CZ-CG 4.43Å; L169-E261 HydrophobicContact CD2-CB 3.67Å; T259-E261 VanDerWaalsContact C-N 3.34Å; E261-L264 PolarHBondContact O-N 3.47Å; E261-L265 PolarHBondContact O-N 2.94Å
262A91.9Very high86.3Confident4 Ų453.2 Ų53.23%0.03327%0.268CS..Hα-helixtrans-65.5-3817400000112.7L169 V226 P257 T259 L265 F266L169-A262 HydrophobicContact CD1-CB 4.08Å; V226-A262 HydrophobicContact CG1-CB 4.05Å; P257-A262 HydrophobicContact CB-CB 4.07Å; P257-A262 HydrophobicContact CG-CB 3.9Å; P257-A262 WeakPolarHBondContact O-CB 3.4Å; T259-A262 WeakPolarHBondContact OG1-CB 3.47Å; T259-A262 PolarHBondContact OG1-N 3.33Å; A262-L265 PolarHBondContact O-N 2.85Å; A262-F266 VanDerWaalsContact O-CB 3.3Å; A262-F266 WeakPolarHBondContact O-CB 3.43Å; A262-F266 PolarHBondContact O-N 3.21Å
263S89Confident84.4Confident68 Ų6855 Ų5548%0.47628%0.281SS..Hα-helixtrans-63.8-41.8177-60.40000111.9T259 R260 F266 S267T259-S263 WeakPolarHBondContact O-CB 3.29Å; T259-S263 PolarHBondContact O-N 3.02Å; T259-S263 PolarHBondContact O-OG 3.38Å; R260-S263 WeakPolarHBondContact O-CB 3.35Å; R260-S263 PolarHBondContact O-N 3.24Å; S263-F266 PolarHBondContact O-N 2.82Å; S263-S267 PolarHBondContact O-N 3.49Å; S263-S267 PolarHBondContact O-OG 3.11Å
264L87.4Confident82.1Confident114 Ų11460.3 Ų60.360%0.59731%0.306SS*.Hα-helixtrans-62.7-46.3175.3-71.3171.5000111.3R260 E261 F266 S267 Y268R260-L264 HydrophobicContact CG-CD1 4.36Å; R260-L264 WeakPolarHBondContact O-CG 3.34Å; R260-L264 PolarHBondContact O-N 2.91Å; E261-L264 PolarHBondContact O-N 3.47Å; L264-F266 VanDerWaalsContact C-N 3.32Å; L264-F266 PolarHBondContact O-N 3.12Å; L264-S267 PolarHBondContact O-N 2.76Å; L264-Y268 PolarHBondContact O-N 3.42Å
265L87.9Confident79.5Confident16 Ų1664 Ų648%0.08433%0.331CS..Hα-helixtrans-63.7-39.6177.3-178.957.9000111.5L169 A171 D198 V226 E261 A262 Y268 V269L169-L265 HydrophobicContact CG-CD2 4.31Å; A171-L265 HydrophobicContact CB-CD2 4.44Å; A171-L265 HydrophobicContact CB-CG 4.46Å; D198-L265 HydrophobicContact CB-CD1 4.18Å; V226-L265 HydrophobicContact CG1-CD2 4Å; V226-L265 HydrophobicContact CG2-CD2 4.36Å; V226-L265 HydrophobicContact CG2-CG 4.21Å; E261-L265 PolarHBondContact O-N 2.94Å; A262-L265 PolarHBondContact O-N 2.85Å; L265-Y268 HydrophobicContact CD1-CD1 4.02Å; L265-Y268 WeakPolarHBondContact O-CB 3.41Å; L265-Y268 PolarHBondContact O-N 3.28Å; L265-V269 HydrophobicContact CD1-CG2 4.19Å; L265-V269 HydrophobicContact CG-CG2 4.35Å; L265-V269 WeakPolarHBondContact O-CB 3.05Å; L265-V269 WeakPolarHBondContact O-CG2 3.47Å; L265-V269 PolarHBondContact O-N 2.7Å
266F85.9Confident77Confident89 Ų8963.7 Ų63.739%0.3934%0.335SS..Hα-helixtrans-61.9-44.7175.4-177.1-89.8000112E224 V226 A262 S263 L264 V269 K270E224-F266 VanDerWaalsContact O-CE2 3.3Å; E224-F266 WeakPolarHBondContact O-CE2 3.41Å; V226-F266 HydrophobicContact CG2-CB 4.12Å; V226-F266 HydrophobicContact CG2-CD2 4.42Å; A262-F266 VanDerWaalsContact O-CB 3.3Å; A262-F266 WeakPolarHBondContact O-CB 3.43Å; A262-F266 PolarHBondContact O-N 3.21Å; S263-F266 PolarHBondContact O-N 2.82Å; L264-F266 VanDerWaalsContact C-N 3.32Å; L264-F266 PolarHBondContact O-N 3.12Å; F266-V269 PolarHBondContact O-N 2.73Å; F266-K270 WeakPolarHBondContact O-CB 3.43Å; F266-K270 PolarHBondContact O-N 2.79Å
267S81.1Confident74.4Confident63 Ų6362.3 Ų62.344%0.44133%0.332SS..Hα-helixtrans-59.6-46.1174.1-680000111.8S263 L264 V269 K270 D271S263-S267 PolarHBondContact O-N 3.49Å; S263-S267 PolarHBondContact O-OG 3.11Å; L264-S267 PolarHBondContact O-N 2.76Å; S267-V269 PolarHBondContact O-N 2.94Å; S267-K270 WeakPolarHBondContact O-CB 3.37Å; S267-K270 PolarHBondContact O-N 3.25Å; S267-D271 VanDerWaalsContact O-CG 3.31Å; S267-D271 PolarHBondContact O-N 2.79Å
268Y77.9Confident71.9Confident82 Ų8262.3 Ų62.332%0.32233%0.331SS..Hα-helixtrans-57.8-48.1175.5169.8-102.7000112.5D199 L264 L265 K270 D271 L272D199-Y268 HydrophobicContact CB-CD1 4.25Å; D199-Y268 HydrophobicContact CB-CD2 4.5Å; D199-Y268 HydrophobicContact CB-CE1 3.91Å; D199-Y268 HydrophobicContact CB-CE2 4.18Å; L264-Y268 PolarHBondContact O-N 3.42Å; L265-Y268 HydrophobicContact CD1-CD1 4.02Å; L265-Y268 WeakPolarHBondContact O-CB 3.41Å; L265-Y268 PolarHBondContact O-N 3.28Å; Y268-K270 VanDerWaalsContact C-N 3.27Å; Y268-K270 PolarHBondContact O-N 2.74Å; Y268-D271 PolarHBondContact O-N 3.17Å; Y268-L272 HydrophobicContact CD1-CD1 3.88Å; Y268-L272 HydrophobicContact CD1-CG 4.45Å; Y268-L272 HydrophobicContact CD2-CD1 4.48Å; Y268-L272 HydrophobicContact CD2-CG 4.34Å; Y268-L272 HydrophobicContact CE1-CD1 3.21Å; Y268-L272 HydrophobicContact CE1-CG 4.07Å; Y268-L272 HydrophobicContact CE2-CD1 3.91Å; Y268-L272 HydrophobicContact CE2-CD2 4.21Å; Y268-L272 HydrophobicContact CE2-CG 3.95Å; Y268-L272 HydrophobicContact CG-CD1 4.48Å; Y268-L272 WeakPolarHBondContact O-CB 3.38Å; Y268-L272 WeakPolarHBondContact O-CG 3.33Å; Y268-L272 PolarHBondContact O-N 3.2Å; Y268-L272 WeakPolarHBondContact OH-CD1 3.48Å
269V74.1Confident69.6Low2 Ų263.2 Ų63.21%0.01234%0.336CS..Hα-helixtrans-60.3-38.8178.21680000111.6A171 F197 R223 L265 F266 S267 S273A171-V269 HydrophobicContact CB-CG2 3.37Å; F197-V269 HydrophobicContact CE1-CG2 4.41Å; F197-V269 HydrophobicContact CE2-CG2 3.94Å; F197-V269 HydrophobicContact CZ-CB 4.27Å; F197-V269 HydrophobicContact CZ-CG1 3.9Å; F197-V269 HydrophobicContact CZ-CG2 3.65Å; R223-V269 WeakPolarHBondContact O-CG1 3.45Å; L265-V269 HydrophobicContact CD1-CG2 4.19Å; L265-V269 HydrophobicContact CG-CG2 4.35Å; L265-V269 WeakPolarHBondContact O-CB 3.05Å; L265-V269 WeakPolarHBondContact O-CG2 3.47Å; L265-V269 PolarHBondContact O-N 2.7Å; F266-V269 PolarHBondContact O-N 2.73Å; S267-V269 PolarHBondContact O-N 2.94Å; V269-S273 WeakPolarHBondContact O-CB 3.46Å; V269-S273 PolarHBondContact O-N 3.33Å; V269-S273 PolarHBondContact O-OG 2.62Å
270K71.6Confident67.1Low107 Ų10767.8 Ų67.847%0.46536%0.357SS..Hα-helixtrans-66.5-48.3176.9-174.6179.4173.2-174.40111.2F266 S267 Y268 L272 S273 E274F266-K270 WeakPolarHBondContact O-CB 3.43Å; F266-K270 PolarHBondContact O-N 2.79Å; S267-K270 WeakPolarHBondContact O-CB 3.37Å; S267-K270 PolarHBondContact O-N 3.25Å; Y268-K270 VanDerWaalsContact C-N 3.27Å; Y268-K270 PolarHBondContact O-N 2.74Å; K270-L272 VanDerWaalsContact C-N 3.3Å; K270-L272 PolarHBondContact O-N 3.17Å; K270-S273 WeakPolarHBondContact O-CB 3.08Å; K270-S273 PolarHBondContact O-N 3.09Å; K270-S273 VanDerWaalsContact O-N 3.07Å; K270-E274 WeakPolarHBondContact CE-OE1 3.45Å; K270-E274 HydrophobicContact CG-CG 4.48Å; K270-E274 WeakPolarHBondContact O-CB 2.83Å; K270-E274 WeakPolarHBondContact O-CG 3.39Å; K270-E274 PolarHBondContact O-N 2.76Å
271D66Low64.7Low100 Ų10061.9 Ų61.954%0.53534%0.337SS..Hα-helixtrans-60.9-39.8177.6-67.2-13.6000111.5S267 Y268 E274 S275S267-D271 VanDerWaalsContact O-CG 3.31Å; S267-D271 PolarHBondContact O-N 2.79Å; Y268-D271 PolarHBondContact O-N 3.17Å; D271-E274 PolarHBondContact O-N 3.24Å; D271-S275 WeakPolarHBondContact O-CB 3.4Å; D271-S275 PolarHBondContact O-N 2.86Å; D271-S275 PolarHBondContact O-OG 2.74Å
272L59Low62.5Low35 Ų3564.5 Ų64.518%0.18335%0.349CS..Hα-helixtrans-67.2-33.6174-75.1-176000113.8F197 Y268 K270 S275 G276 A277 L278F197-L272 HydrophobicContact CE2-CD1 4.04Å; Y268-L272 HydrophobicContact CD1-CD1 3.88Å; Y268-L272 HydrophobicContact CD1-CG 4.45Å; Y268-L272 HydrophobicContact CD2-CD1 4.48Å; Y268-L272 HydrophobicContact CD2-CG 4.34Å; Y268-L272 HydrophobicContact CE1-CD1 3.21Å; Y268-L272 HydrophobicContact CE1-CG 4.07Å; Y268-L272 HydrophobicContact CE2-CD1 3.91Å; Y268-L272 HydrophobicContact CE2-CD2 4.21Å; Y268-L272 HydrophobicContact CE2-CG 3.95Å; Y268-L272 HydrophobicContact CG-CD1 4.48Å; Y268-L272 WeakPolarHBondContact O-CB 3.38Å; Y268-L272 WeakPolarHBondContact O-CG 3.33Å; Y268-L272 PolarHBondContact O-N 3.2Å; Y268-L272 WeakPolarHBondContact OH-CD1 3.48Å; K270-L272 VanDerWaalsContact C-N 3.3Å; K270-L272 PolarHBondContact O-N 3.17Å; L272-S275 WeakPolarHBondContact CA-OG 3.49Å; L272-S275 PolarHBondContact O-OG 2.79Å; L272-G276 PolarHBondContact O-N 2.79Å; L272-A277 HydrophobicContact CD2-CB 3.86Å; L272-A277 PolarHBondContact O-N 3.38Å; L272-A277 VanDerWaalsContact O-N 3.17Å; L272-L278 HydrophobicContact CB-CD1 3.66Å; L272-L278 HydrophobicContact CB-CG 3.82Å; L272-L278 HydrophobicContact CD1-CD1 4.37Å; L272-L278 HydrophobicContact CD1-CD2 4.48Å; L272-L278 HydrophobicContact CD1-CG 4.22Å; L272-L278 PolarHBondContact O-N 2.91Å
273S55.8Low60Low42 Ų4265 Ų6529%0.29435%0.354SS..Hα-helixtrans-73.9-38.9177.5-63.90000111.1V269 K270 G276 L278V269-S273 WeakPolarHBondContact O-CB 3.46Å; V269-S273 PolarHBondContact O-N 3.33Å; V269-S273 PolarHBondContact O-OG 2.62Å; K270-S273 WeakPolarHBondContact O-CB 3.08Å; K270-S273 PolarHBondContact O-N 3.09Å; K270-S273 VanDerWaalsContact O-N 3.07Å; S273-G276 PolarHBondContact O-N 2.72Å; S273-L278 WeakPolarHBondContact OG-CD1 3.35Å
274E50Low57.8Low130 Ų13066.7 Ų66.761%0.60736%0.357SS*.Hα-helixtrans-69.7-37.1177.6-72179.9-176.200112.2K270 D271 G276K270-E274 WeakPolarHBondContact CE-OE1 3.45Å; K270-E274 HydrophobicContact CG-CG 4.48Å; K270-E274 WeakPolarHBondContact O-CB 2.83Å; K270-E274 WeakPolarHBondContact O-CG 3.39Å; K270-E274 PolarHBondContact O-N 2.76Å; D271-E274 PolarHBondContact O-N 3.24Å; E274-G276 VanDerWaalsContact C-N 3.29Å; E274-G276 PolarHBondContact O-N 2.79Å
275S42.3Very low55.9Low80 Ų8069.7 Ų69.756%0.55937%0.368SS*.THydrogen-bonded Turntrans-76.6-10.4175580000114.4D271 L272 A277D271-S275 WeakPolarHBondContact O-CB 3.4Å; D271-S275 PolarHBondContact O-N 2.86Å; D271-S275 PolarHBondContact O-OG 2.74Å; L272-S275 WeakPolarHBondContact CA-OG 3.49Å; L272-S275 PolarHBondContact O-OG 2.79Å; S275-A277 PolarHBondContact O-N 3.12Å
276G42.3Very low54.3Low25 Ų2572.2 Ų72.226%0.25838%0.381SS..THydrogen-bonded Turntrans72.67.2-177.300000114.5L272 S273 E274 L278 D279L272-G276 PolarHBondContact O-N 2.79Å; S273-G276 PolarHBondContact O-N 2.72Å; E274-G276 VanDerWaalsContact C-N 3.29Å; E274-G276 PolarHBondContact O-N 2.79Å; G276-L278 PolarHBondContact O-N 3.03Å; G276-D279 PolarHBondContact O-N 3.03Å
277A38.8Very low53.3Low31 Ų3169.9 Ų69.926%0.25638%0.375SS..G310 helixtrans-61.7-29.7176.900000112.2L272 S275 D279 Q280L272-A277 HydrophobicContact CD2-CB 3.86Å; L272-A277 PolarHBondContact O-N 3.38Å; L272-A277 VanDerWaalsContact O-N 3.17Å; S275-A277 PolarHBondContact O-N 3.12Å; A277-D279 PolarHBondContact O-N 3.18Å; A277-Q280 VanDerWaalsContact O-CB 3.27Å; A277-Q280 WeakPolarHBondContact O-CB 3.42Å; A277-Q280 PolarHBondContact O-N 3.33Å; A277-Q280 VanDerWaalsContact O-N 3.14Å
278L42.7Very low53Low4 Ų471.5 Ų71.52%0.02138%0.384CS..G310 helixtrans-72.4-25179.5-91.9170.4000114.4F197 R223 L272 S273 G276 Q280 D281F197-L278 HydrophobicContact CD2-CD2 4.04Å; F197-L278 HydrophobicContact CE1-CD2 4.32Å; F197-L278 HydrophobicContact CE2-CD1 4.06Å; F197-L278 HydrophobicContact CE2-CD2 3.46Å; F197-L278 VanDerWaalsContact CE2-CD2 3.46Å; F197-L278 HydrophobicContact CE2-CG 4.28Å; F197-L278 HydrophobicContact CZ-CD1 3.76Å; F197-L278 HydrophobicContact CZ-CD2 3.58Å; F197-L278 HydrophobicContact CZ-CG 4.32Å; R223-L278 HydrophobicContact CB-CD1 4.38Å; R223-L278 HydrophobicContact CG-CD1 4.42Å; R223-L278 VanDerWaalsContact NH1-CB 3.3Å; R223-L278 PolarHBondContact NH1-O 2.89Å; R223-L278 PolarHBondContact NH2-O 3.38Å; L272-L278 HydrophobicContact CB-CD1 3.66Å; L272-L278 HydrophobicContact CB-CG 3.82Å; L272-L278 HydrophobicContact CD1-CD1 4.37Å; L272-L278 HydrophobicContact CD1-CD2 4.48Å; L272-L278 HydrophobicContact CD1-CG 4.22Å; L272-L278 PolarHBondContact O-N 2.91Å; S273-L278 WeakPolarHBondContact OG-CD1 3.35Å; G276-L278 PolarHBondContact O-N 3.03Å; L278-Q280 VanDerWaalsContact C-N 3.29Å; L278-D281 WeakPolarHBondContact O-CB 3.15Å; L278-D281 PolarHBondContact O-N 2.82Å
279D42.7Very low53.1Low125 Ų12570 Ų7067%0.66838%0.384SS*.G310 helixtrans-81.2-14.5171.5-72.5-24.3000112.3R223 G276 A277R223-D279 IonicContact CZ-OD1 3.01Å; R223-D279 IonicContact NE-OD1 2.82Å; R223-D279 IonicContact NH2-OD1 3.37Å; R223-D279 PolarHBondContact NH2-OD1 3.01Å; G276-D279 PolarHBondContact O-N 3.03Å; A277-D279 PolarHBondContact O-N 3.18Å
280Q41.2Very low53.3Low114 Ų11474.2 Ų74.253%0.53342%0.419SS..G310 helixtrans-79.8-3.7167.3-54.5172.127.900111.5A277 L278 E282 A283A277-Q280 VanDerWaalsContact O-CB 3.27Å; A277-Q280 WeakPolarHBondContact O-CB 3.42Å; A277-Q280 PolarHBondContact O-N 3.33Å; A277-Q280 VanDerWaalsContact O-N 3.14Å; L278-Q280 VanDerWaalsContact C-N 3.29Å; Q280-E282 PolarHBondContact O-N 3.03Å; Q280-A283 CarbonylContact O-C 3.38Å; Q280-A283 WeakPolarHBondContact O-CA 3.48Å; Q280-A283 WeakPolarHBondContact O-CB 3.4Å; Q280-A283 PolarHBondContact O-N 2.99Å
281D40.9Very low53.8Low38 Ų3872.1 Ų72.120%0.20342%0.417CS..G310 helixtrans-98.913.6-171.2-151.4-1.9000113.2K173 S202 L278K173-D281 WeakPolarHBondContact CE-O 3.49Å; K173-D281 VanDerWaalsContact CE-OD2 3.29Å; K173-D281 WeakPolarHBondContact CE-OD2 3.35Å; K173-D281 PolarHBondContact NZ-O 2.84Å; K173-D281 IonicContact NZ-OD1 3.66Å; K173-D281 PolarHBondContact NZ-OD1 3.39Å; K173-D281 IonicContact NZ-OD2 2.78Å; K173-D281 PolarHBondContact NZ-OD2 2.77Å; S202-D281 WeakPolarHBondContact CB-OD1 3.45Å; S202-D281 WeakPolarHBondContact CB-OD2 3.31Å; S202-D281 PolarHBondContact OG-OD1 3.26Å; L278-D281 WeakPolarHBondContact O-CB 3.15Å; L278-D281 PolarHBondContact O-N 2.82Å
282E43.5Very low54.9Low85 Ų8568 Ų6840%0.39740%0.395SS..G310 helixtrans-89.111.3143.8-66.5-128.2137.500111Q280 K428 R440Q280-E282 PolarHBondContact O-N 3.03Å; E282-K428 VanDerWaalsContact O-CE 3.28Å; E282-K428 WeakPolarHBondContact O-CE 3.48Å; E282-K428 PolarHBondContact O-NZ 3Å; E282-R440 IonicContact OE2-NH1 3.36Å
283A40.1Very low56.2Low16 Ų1671.5 Ų71.513%0.13242%0.418CS..SBendtrans-123.1122.517700000110.8Q280 E285 D286Q280-A283 CarbonylContact O-C 3.38Å; Q280-A283 WeakPolarHBondContact O-CA 3.48Å; Q280-A283 WeakPolarHBondContact O-CB 3.4Å; Q280-A283 PolarHBondContact O-N 2.99Å; A283-E285 PolarHBondContact O-N 2.87Å; A283-D286 WeakPolarHBondContact CB-OD1 3.2Å
284L43.7Very low57.6Low102 Ų10271.7 Ų71.753%0.53442%0.422SS..SBend-42.5126.6128.7-68.8148.6000106.5D286 P311 F313L284-D286 PolarHBondContact O-N 2.88Å; L284-P311 HydrophobicContact CD1-CB 4.36Å; L284-P311 HydrophobicContact CD1-CG 4.27Å; L284-F313 HydrophobicContact CB-CE2 4.45Å
285E46.4Very low59.5Low178 Ų17867.5 Ų67.583%0.83241%0.406SS*.  trans-31.6110.2176-79.2-174.7155.900109.2A283 P287A283-E285 PolarHBondContact O-N 2.87Å; E285-P287 VanDerWaalsContact O-CD 3.29Å; E285-P287 WeakPolarHBondContact O-CD 3.27Å
286D54.6Low61.9Low68 Ų6865.7 Ų65.736%0.36439%0.388SS..  trans-60.8115.7-174.6-75.9-13.8000105.1A283 L284 F313 K428 L444A283-D286 WeakPolarHBondContact CB-OD1 3.2Å; L284-D286 PolarHBondContact O-N 2.88Å; D286-F313 HydrophobicContact CB-CE1 3.94Å; D286-F313 HydrophobicContact CB-CZ 4.21Å; D286-F313 WeakPolarHBondContact OD1-CE1 3.37Å; D286-F313 WeakPolarHBondContact OD1-CZ 3.23Å; D286-K428 WeakPolarHBondContact OD1-CD 3.35Å; D286-K428 WeakPolarHBondContact OD1-CE 3.39Å; D286-K428 IonicContact OD1-NZ 3.87Å; D286-K428 PolarHBondContact OD1-NZ 2.99Å; D286-K428 IonicContact OD2-NZ 3.1Å; D286-L444 VanDerWaalsContact OD2-CD2 3.26Å; D286-L444 WeakPolarHBondContact OD2-CD2 3.21Å
287P64.4Low64.4Low40 Ų4065.4 Ų65.426%0.2638%0.381SS..  trans-63.4151.9-173.130.7-37.3000107.5E285 V289 S291 I292 F313E285-P287 VanDerWaalsContact O-CD 3.29Å; E285-P287 WeakPolarHBondContact O-CD 3.27Å; P287-V289 PolarHBondContact O-N 2.73Å; P287-S291 WeakPolarHBondContact CB-OG 3.16Å; P287-I292 HydrophobicContact CG-CD1 4.46Å; P287-I292 HydrophobicContact CG-CG1 4.11Å; P287-F313 HydrophobicContact CG-CD1 4.33Å; P287-F313 HydrophobicContact CG-CD2 3.82Å; P287-F313 HydrophobicContact CG-CE2 4.11Å; P287-F313 HydrophobicContact CG-CG 3.94Å; P287-F313 HydrophobicContact CG-CZ 4.48Å
288P75.1Confident66.9Low98 Ų9864 Ų6464%0.63637%0.369SS*.  trans-48.7132.1-179.2-2732.6000109.6A290 S291P288-A290 PolarHBondContact O-N 2.9Å; P288-S291 WeakPolarHBondContact O-CB 3.21Å; P288-S291 PolarHBondContact O-N 3.36Å; P288-S291 PolarHBondContact O-OG 3.3Å
289V80Confident69.3Low51 Ų5169.2 Ų69.231%0.30939%0.392SS..G310 helixtrans-49.7-35.2-173.3172.20000111.7P287 S291 I292 Y426 L444 A445P287-V289 PolarHBondContact O-N 2.73Å; V289-S291 PolarHBondContact O-N 3.1Å; V289-I292 PolarHBondContact O-N 2.95Å; V289-Y426 HydrophobicContact CG1-CD1 3.57Å; V289-Y426 HydrophobicContact CG1-CD2 3.6Å; V289-Y426 HydrophobicContact CG1-CE1 3.67Å; V289-Y426 HydrophobicContact CG1-CE2 3.69Å; V289-Y426 HydrophobicContact CG1-CG 3.51Å; V289-Y426 WeakPolarHBondContact O-CE1 3.46Å; V289-L444 HydrophobicContact CG2-CB 4.45Å; V289-A445 HydrophobicContact CG1-CB 3.95Å; V289-A445 HydrophobicContact CG2-CB 4.35Å
290A77.5Confident71.7Confident90 Ų9067.1 Ų67.174%0.74438%0.378SS*.G310 helixtrans-60.3-25.1176.700000115.2P288P288-A290 PolarHBondContact O-N 2.9Å
291S84.1Confident74.1Confident63 Ų6361.7 Ų61.744%0.44135%0.353SS..G310 helixtrans-82.2-16.8178.971.90000113.4P287 P288 V289 T293P287-S291 WeakPolarHBondContact CB-OG 3.16Å; P288-S291 WeakPolarHBondContact O-CB 3.21Å; P288-S291 PolarHBondContact O-N 3.36Å; P288-S291 PolarHBondContact O-OG 3.3Å; V289-S291 PolarHBondContact O-N 3.1Å; S291-T293 PolarHBondContact O-N 3.4Å; S291-T293 VanDerWaalsContact O-N 3.1Å
292I88.1Confident76.4Confident12 Ų1263.2 Ų63.26%0.06236%0.357CS..  trans-80.396.1-179.9-55.3170.6000108.6P287 V289 F313 L315 Y426 L444P287-I292 HydrophobicContact CG-CD1 4.46Å; P287-I292 HydrophobicContact CG-CG1 4.11Å; V289-I292 PolarHBondContact O-N 2.95Å; I292-F313 HydrophobicContact CD1-CB 3.99Å; I292-F313 HydrophobicContact CD1-CD1 4.12Å; I292-F313 HydrophobicContact CD1-CG 4.34Å; I292-F313 HydrophobicContact CG1-CB 4.04Å; I292-F313 HydrophobicContact CG2-CB 4.23Å; I292-L315 HydrophobicContact CG2-CB 4.45Å; I292-Y426 HydrophobicContact CB-CD1 3.92Å; I292-Y426 HydrophobicContact CB-CE1 4.28Å; I292-Y426 HydrophobicContact CD1-CD1 4.37Å; I292-Y426 HydrophobicContact CG2-CD1 4.11Å; I292-L444 HydrophobicContact CD1-CD1 3.91Å
293T85.3Confident78.7Confident110 Ų11063 Ų6368%0.67536%0.356SS*.  trans-109.1-16.8-176.154.50000113.7S291 V295S291-T293 PolarHBondContact O-N 3.4Å; S291-T293 VanDerWaalsContact O-N 3.1Å; T293-V295 PolarHBondContact O-N 3.3Å
294A85.5Confident80.9Confident46 Ų4665.3 Ų65.338%0.3836%0.363SS..  trans-72.4110.5-174.700000111.4F296 L315A294-F296 HydrophobicContact CB-CD2 4.34Å; A294-F296 HydrophobicContact CB-CE2 3.55Å; A294-F296 HydrophobicContact CB-CZ 4.17Å; A294-F296 WeakPolarHBondContact O-CD2 3.5Å; A294-L315 PolarHBondContact O-N 3.24Å
295V91.4Very high82.9Confident42 Ų4260.9 Ų60.926%0.25534%0.342SS..BIsolated β-bridgetrans-89.7123.5-178.3-174.80000111.4T293 L315 Y317 L457T293-V295 PolarHBondContact O-N 3.3Å; V295-L315 CarbonylContact C-O 3.56Å; V295-L315 VanDerWaalsContact CA-O 3.24Å; V295-L315 WeakPolarHBondContact CA-O 3.42Å; V295-L315 HydrophobicContact CG2-CB 4.29Å; V295-L315 HydrophobicContact CG2-CD2 3.91Å; V295-L315 HydrophobicContact CG2-CG 4.17Å; V295-Y317 HydrophobicContact CG1-CD2 3.97Å; V295-Y317 HydrophobicContact CG1-CE2 4.36Å; V295-Y317 HydrophobicContact CG2-CE2 4.25Å; V295-L457 HydrophobicContact CG1-CD2 4.14Å; V295-L457 HydrophobicContact CG2-CD1 4.29Å
296F92.1Very high84.6Confident42 Ų4262.4 Ų62.418%0.18434%0.34CS..  trans-122.2148.6178-65.2-85.6000111.9A294 Q300 L301 K304 L315A294-F296 HydrophobicContact CB-CD2 4.34Å; A294-F296 HydrophobicContact CB-CE2 3.55Å; A294-F296 HydrophobicContact CB-CZ 4.17Å; A294-F296 WeakPolarHBondContact O-CD2 3.5Å; F296-Q300 HydrophobicContact CB-CB 4.3Å; F296-Q300 HydrophobicContact CD1-CB 3.97Å; F296-L301 HydrophobicContact CB-CD2 3.5Å; F296-L301 HydrophobicContact CB-CG 3.75Å; F296-L301 HydrophobicContact CD2-CD2 4.13Å; F296-L301 HydrophobicContact CG-CD2 3.9Å; F296-K304 HydrophobicContact CE1-CD 4.08Å; F296-K304 HydrophobicContact CZ-CD 4.1Å; F296-L315 PolarHBondContact N-O 3.42Å
297T93.4Very high85.9Confident18 Ų1867.3 Ų67.311%0.1136%0.36CS..  trans-81.5160.4162.770.30000110.6K299 Q300 L301 D377 T379T297-K299 PolarHBondContact O-N 3.22Å; T297-Q300 WeakPolarHBondContact O-CB 3.48Å; T297-Q300 PolarHBondContact O-N 2.88Å; T297-Q300 WeakPolarHBondContact OG1-CG 3.38Å; T297-Q300 PolarHBondContact OG1-N 2.9Å; T297-Q300 PolarHBondContact OG1-OE1 2.84Å; T297-L301 WeakPolarHBondContact O-CG 3.47Å; T297-L301 PolarHBondContact O-N 2.91Å; T297-D377 WeakPolarHBondContact CA-OD2 3.29Å; T297-D377 VanDerWaalsContact CB-OD2 3.24Å; T297-D377 WeakPolarHBondContact CB-OD2 3.22Å; T297-T379 WeakPolarHBondContact CB-OG1 3.45Å; T297-T379 HydrophobicContact CG2-CG2 3.96Å; T297-T379 PolarHBondContact OG1-OG1 2.93Å
298V93.1Very high86.2Confident2 Ų268.3 Ų68.31%0.01236%0.363CS..Hα-helixtrans-56.8-38.2178.5172.40000112L301 K302 D377 T379 L382V298-L301 PolarHBondContact O-N 2.93Å; V298-K302 HydrophobicContact CG1-CD 4.26Å; V298-K302 WeakPolarHBondContact O-CG 3.34Å; V298-K302 PolarHBondContact O-N 3.48Å; V298-D377 WeakPolarHBondContact CB-OD1 3.14Å; V298-D377 HydrophobicContact CG2-CB 4.24Å; V298-D377 PolarHBondContact N-OD2 3.37Å; V298-T379 PolarHBondContact N-OG1 2.74Å; V298-L382 HydrophobicContact CG1-CB 4.22Å
299K92.4Very high85.8Confident113 Ų11368 Ų6849%0.49137%0.369SS..Hα-helixtrans-63.6-44.9174.5178.1175.8171.8-179.60111.7T297 L301 K302 E303 T379T297-K299 PolarHBondContact O-N 3.22Å; K299-L301 VanDerWaalsContact C-N 3.31Å; K299-L301 PolarHBondContact O-N 3.13Å; K299-K302 WeakPolarHBondContact O-CB 3.38Å; K299-K302 PolarHBondContact O-N 2.7Å; K299-E303 WeakPolarHBondContact CE-OE1 3.23Å; K299-E303 IonicContact NZ-OE1 3.22Å; K299-E303 WeakPolarHBondContact O-CG 3.04Å; K299-E303 PolarHBondContact O-N 2.85Å; K299-T379 HydrophobicContact CB-CG2 4.45Å; K299-T379 WeakPolarHBondContact CB-OG1 3.44Å; K299-T379 PolarHBondContact N-OG1 2.88Å
300Q92.3Very high85.4Confident81 Ų8171.7 Ų71.738%0.37938%0.383SS..Hα-helixtrans-65-36.4177.6-67.9172.1-36.600112F296 T297 E303 K304F296-Q300 HydrophobicContact CB-CB 4.3Å; F296-Q300 HydrophobicContact CD1-CB 3.97Å; T297-Q300 WeakPolarHBondContact O-CB 3.48Å; T297-Q300 PolarHBondContact O-N 2.88Å; T297-Q300 WeakPolarHBondContact OG1-CG 3.38Å; T297-Q300 PolarHBondContact OG1-N 2.9Å; T297-Q300 PolarHBondContact OG1-OE1 2.84Å; Q300-E303 PolarHBondContact O-N 2.83Å; Q300-K304 VanDerWaalsContact O-CB 3.25Å; Q300-K304 WeakPolarHBondContact O-CB 3.3Å; Q300-K304 PolarHBondContact O-N 3.37Å
301L91.5Very high85.4Confident1 Ų169 Ų691%0.00536%0.358CS..Hα-helixtrans-61.4-45.5172.6-66.6176.2000111.3F296 T297 V298 K299 A305 F312 S314 L427 I429F296-L301 HydrophobicContact CB-CD2 3.5Å; F296-L301 HydrophobicContact CB-CG 3.75Å; F296-L301 HydrophobicContact CD2-CD2 4.13Å; F296-L301 HydrophobicContact CG-CD2 3.9Å; T297-L301 WeakPolarHBondContact O-CG 3.47Å; T297-L301 PolarHBondContact O-N 2.91Å; V298-L301 PolarHBondContact O-N 2.93Å; K299-L301 VanDerWaalsContact C-N 3.31Å; K299-L301 PolarHBondContact O-N 3.13Å; L301-A305 VanDerWaalsContact O-CB 3.26Å; L301-A305 WeakPolarHBondContact O-CB 3.21Å; L301-A305 PolarHBondContact O-N 2.68Å; L301-F312 HydrophobicContact CD2-CE2 3.75Å; L301-F312 HydrophobicContact CD2-CZ 4.39Å; L301-S314 WeakPolarHBondContact CD2-OG 3.38Å; L301-L427 HydrophobicContact CD1-CD1 4.02Å; L301-I429 HydrophobicContact CD2-CG1 4.17Å
302K90.7Very high85.4Confident69 Ų6966.7 Ų66.730%0.334%0.34SS..Hα-helixtrans-61.6-42.9176.6-77.1171-179.8-176.20112.5V298 K299 R306 T381 M439V298-K302 HydrophobicContact CG1-CD 4.26Å; V298-K302 WeakPolarHBondContact O-CG 3.34Å; V298-K302 PolarHBondContact O-N 3.48Å; K299-K302 WeakPolarHBondContact O-CB 3.38Å; K299-K302 PolarHBondContact O-N 2.7Å; K302-R306 WeakPolarHBondContact O-CG 3.3Å; K302-R306 PolarHBondContact O-N 2.75Å; K302-T381 VanDerWaalsContact CE-O 3.31Å; K302-T381 WeakPolarHBondContact CE-O 3.47Å; K302-T381 PolarHBondContact NZ-O 3.5Å; K302-M439 HydrophobicContact CB-CE 4.08Å; K302-M439 HydrophobicContact CD-CE 4.38Å; K302-M439 HydrophobicContact CG-CE 3.22Å
303E90.3Very high85.5Confident80 Ų8068 Ų6837%0.37435%0.346SS..Hα-helixtrans-66.4-50178.4-73.1166.8170.300110.6K299 Q300 A305 R306 E307K299-E303 WeakPolarHBondContact CE-OE1 3.23Å; K299-E303 IonicContact NZ-OE1 3.22Å; K299-E303 WeakPolarHBondContact O-CG 3.04Å; K299-E303 PolarHBondContact O-N 2.85Å; Q300-E303 PolarHBondContact O-N 2.83Å; E303-A305 VanDerWaalsContact C-N 3.29Å; E303-A305 PolarHBondContact O-N 3.3Å; E303-R306 WeakPolarHBondContact O-CB 3.4Å; E303-R306 PolarHBondContact O-N 3.12Å; E303-E307 PolarHBondContact O-N 3.13Å; E303-E307 VanDerWaalsContact O-N 3.1Å
304K87.3Confident85.8Confident66 Ų6662.8 Ų62.829%0.28731%0.314SS..Hα-helixtrans-60.7-37.2178.2-171.7171.4-179.3179.30112.8F296 Q300 R306 E307 N308 F312F296-K304 HydrophobicContact CE1-CD 4.08Å; F296-K304 HydrophobicContact CZ-CD 4.1Å; Q300-K304 VanDerWaalsContact O-CB 3.25Å; Q300-K304 WeakPolarHBondContact O-CB 3.3Å; Q300-K304 PolarHBondContact O-N 3.37Å; K304-R306 VanDerWaalsContact C-N 3.25Å; K304-R306 PolarHBondContact O-N 2.95Å; K304-E307 PolarHBondContact O-N 3.47Å; K304-N308 VanDerWaalsContact O-CB 3.28Å; K304-N308 WeakPolarHBondContact O-CB 3.37Å; K304-N308 PolarHBondContact O-N 3.45Å; K304-F312 HydrophobicContact CB-CE1 4.43Å; K304-F312 HydrophobicContact CB-CZ 4.02Å; K304-F312 HydrophobicContact CD-CD2 4.04Å; K304-F312 HydrophobicContact CD-CE1 4.46Å; K304-F312 HydrophobicContact CD-CE2 3.9Å; K304-F312 HydrophobicContact CD-CG 4.37Å; K304-F312 HydrophobicContact CD-CZ 4.12Å; K304-F312 HydrophobicContact CG-CD1 4.45Å; K304-F312 HydrophobicContact CG-CE1 4.08Å; K304-F312 HydrophobicContact CG-CE2 4.28Å; K304-F312 HydrophobicContact CG-CZ 3.98Å
305A84.9Confident86.1Confident9 Ų961 Ų617%0.07430%0.298CS..Hα-helixtrans-71.8-16175.700000114.1L301 E303 F312 I429 P431 M439L301-A305 VanDerWaalsContact O-CB 3.26Å; L301-A305 WeakPolarHBondContact O-CB 3.21Å; L301-A305 PolarHBondContact O-N 2.68Å; E303-A305 VanDerWaalsContact C-N 3.29Å; E303-A305 PolarHBondContact O-N 3.3Å; A305-F312 HydrophobicContact CB-CE1 4.05Å; A305-F312 HydrophobicContact CB-CZ 4.26Å; A305-I429 HydrophobicContact CB-CG2 4.06Å; A305-P431 HydrophobicContact CB-CG 4.3Å; A305-P431 WeakPolarHBondContact O-CB 3.41Å; A305-M439 HydrophobicContact CB-CB 4.01Å; A305-M439 HydrophobicContact CB-CG 4.36Å; A305-M439 HydrophobicContact CB-SD 3.81Å
306R83.3Confident86.2Confident210 Ų21059.1 Ų59.179%0.79229%0.286SS*.Hα-helixtrans-85-35.7171-71.5170.7-178.6-176-0.8111.9K302 E303 K304K302-R306 WeakPolarHBondContact O-CG 3.3Å; K302-R306 PolarHBondContact O-N 2.75Å; E303-R306 WeakPolarHBondContact O-CB 3.4Å; E303-R306 PolarHBondContact O-N 3.12Å; K304-R306 VanDerWaalsContact C-N 3.25Å; K304-R306 PolarHBondContact O-N 2.95Å
307E80.8Confident86.3Confident170 Ų17058.2 Ų58.279%0.79428%0.282SS*.Hα-helixtrans-82.2-29-177.3-68173.2-177.500112.7E303 K304E303-E307 PolarHBondContact O-N 3.13Å; E303-E307 VanDerWaalsContact O-N 3.1Å; K304-E307 PolarHBondContact O-N 3.47Å
308N70.9Confident86.3Confident61 Ų6157.5 Ų57.533%0.32628%0.278SS..  trans-115.3131.9-176.5-158.9-26.9000110.6K304 E310 P431K304-N308 VanDerWaalsContact O-CB 3.28Å; K304-N308 WeakPolarHBondContact O-CB 3.37Å; K304-N308 PolarHBondContact O-N 3.45Å; N308-E310 PolarHBondContact OD1-N 2.85Å; N308-P431 WeakPolarHBondContact O-CB 3.36Å; N308-P431 WeakPolarHBondContact O-CG 3.25Å
309A65.9Low86.3Confident92 Ų9260.6 Ų60.676%0.7629%0.291SS*.  trans-88.5-14.9177.700000112.8
310E73.1Confident86.5Confident129 Ų12955.5 Ų55.560%0.60327%0.269SS*.SBendtrans-87.9151.2-178-64.8-174.2163.300112.4N308 P431N308-E310 PolarHBondContact OD1-N 2.85Å; E310-P431 WeakPolarHBondContact O-CD 3.24Å; E310-P431 WeakPolarHBondContact O-CG 3.34Å
311P77.1Confident86.5Confident34 Ų3453.5 Ų53.522%0.22127%0.265CS..  trans-62.1143.3171.3-9.621.9000110.9L284 I429 L430L284-P311 HydrophobicContact CD1-CB 4.36Å; L284-P311 HydrophobicContact CD1-CG 4.27Å; P311-I429 CarbonylContact C-O 3.57Å; P311-I429 VanDerWaalsContact CA-O 3.26Å; P311-I429 WeakPolarHBondContact CA-O 3.16Å; P311-L430 HydrophobicContact CB-CD1 4.13Å; P311-L430 HydrophobicContact CG-CD1 3.72Å
312F84.1Confident86.6Confident14 Ų1457.8 Ų57.86%0.06128%0.283CS..EExtended strand (participates in β ladder)trans-140.4156.4176.164.2-90.1000112.5L301 K304 A305 I429 P431L301-F312 HydrophobicContact CD2-CE2 3.75Å; L301-F312 HydrophobicContact CD2-CZ 4.39Å; K304-F312 HydrophobicContact CB-CE1 4.43Å; K304-F312 HydrophobicContact CB-CZ 4.02Å; K304-F312 HydrophobicContact CD-CD2 4.04Å; K304-F312 HydrophobicContact CD-CE1 4.46Å; K304-F312 HydrophobicContact CD-CE2 3.9Å; K304-F312 HydrophobicContact CD-CG 4.37Å; K304-F312 HydrophobicContact CD-CZ 4.12Å; K304-F312 HydrophobicContact CG-CD1 4.45Å; K304-F312 HydrophobicContact CG-CE1 4.08Å; K304-F312 HydrophobicContact CG-CE2 4.28Å; K304-F312 HydrophobicContact CG-CZ 3.98Å; A305-F312 HydrophobicContact CB-CE1 4.05Å; A305-F312 HydrophobicContact CB-CZ 4.26Å; F312-I429 HydrophobicContact CD1-CB 4.24Å; F312-I429 HydrophobicContact CD1-CG2 4.49Å; F312-I429 HydrophobicContact CD2-CB 4.2Å; F312-I429 HydrophobicContact CD2-CG1 4.42Å; F312-I429 HydrophobicContact CE1-CB 3.78Å; F312-I429 HydrophobicContact CE1-CG2 3.65Å; F312-I429 HydrophobicContact CE2-CB 3.74Å; F312-I429 HydrophobicContact CE2-CG1 3.77Å; F312-I429 HydrophobicContact CE2-CG2 4.26Å; F312-I429 HydrophobicContact CG-CB 4.44Å; F312-I429 HydrophobicContact CZ-CB 3.52Å; F312-I429 HydrophobicContact CZ-CG1 3.89Å; F312-I429 HydrophobicContact CZ-CG2 3.52Å; F312-I429 PolarHBondContact N-O 3.04Å; F312-I429 PolarHBondContact O-N 3.4Å; F312-P431 HydrophobicContact CE1-CG 4.46Å
313F89.5Confident86.8Confident40 Ų4054.7 Ų54.718%0.17527%0.27CS..EExtended strand (participates in β ladder)trans-101.6145.2-179.9-58.7-81.1000110.9L284 D286 P287 I292 L427 K428 L444L284-F313 HydrophobicContact CB-CE2 4.45Å; D286-F313 HydrophobicContact CB-CE1 3.94Å; D286-F313 HydrophobicContact CB-CZ 4.21Å; D286-F313 WeakPolarHBondContact OD1-CE1 3.37Å; D286-F313 WeakPolarHBondContact OD1-CZ 3.23Å; P287-F313 HydrophobicContact CG-CD1 4.33Å; P287-F313 HydrophobicContact CG-CD2 3.82Å; P287-F313 HydrophobicContact CG-CE2 4.11Å; P287-F313 HydrophobicContact CG-CG 3.94Å; P287-F313 HydrophobicContact CG-CZ 4.48Å; I292-F313 HydrophobicContact CD1-CB 3.99Å; I292-F313 HydrophobicContact CD1-CD1 4.12Å; I292-F313 HydrophobicContact CD1-CG 4.34Å; I292-F313 HydrophobicContact CG1-CB 4.04Å; I292-F313 HydrophobicContact CG2-CB 4.23Å; F313-L427 CarbonylContact C-O 3.59Å; F313-L427 WeakPolarHBondContact CA-O 3.33Å; F313-K428 HydrophobicContact CD1-CB 4.06Å; F313-K428 HydrophobicContact CD1-CG 4.24Å; F313-K428 HydrophobicContact CE1-CB 3.93Å; F313-K428 HydrophobicContact CE1-CD 3.89Å; F313-K428 HydrophobicContact CE1-CG 3.78Å; F313-K428 HydrophobicContact CZ-CD 4.34Å; F313-K428 HydrophobicContact CZ-CG 4.36Å; F313-L444 HydrophobicContact CD1-CD1 3.66Å; F313-L444 HydrophobicContact CE1-CD1 3.86Å
314S91.5Very high86.7Confident0 Ų054 Ų540%027%0.269CS..EExtended strand (participates in β ladder)trans-153.3152.4-175.656.50000111.9L301 L427L301-S314 WeakPolarHBondContact CD2-OG 3.38Å; S314-L427 PolarHBondContact N-O 3.15Å; S314-L427 PolarHBondContact O-N 3.05Å; S314-L427 PolarHBondContact OG-O 3.45Å
315L93.2Very high86.8Confident9 Ų950.9 Ų50.95%0.04726%0.255CS..EExtended strand (participates in β ladder)trans-105.7131.2167.9179.956.5000108.5I292 A294 V295 F296 Y317 K424 Y426I292-L315 HydrophobicContact CG2-CB 4.45Å; A294-L315 PolarHBondContact O-N 3.24Å; V295-L315 CarbonylContact C-O 3.56Å; V295-L315 VanDerWaalsContact CA-O 3.24Å; V295-L315 WeakPolarHBondContact CA-O 3.42Å; V295-L315 HydrophobicContact CG2-CB 4.29Å; V295-L315 HydrophobicContact CG2-CD2 3.91Å; V295-L315 HydrophobicContact CG2-CG 4.17Å; F296-L315 PolarHBondContact N-O 3.42Å; L315-Y317 HydrophobicContact CD2-CE2 4.08Å; L315-Y317 HydrophobicContact CG-CE2 4.13Å; L315-K424 HydrophobicContact CD1-CD 4.43Å; L315-K424 HydrophobicContact CD1-CG 3.68Å; L315-Y426 HydrophobicContact CD1-CD1 3.83Å; L315-Y426 HydrophobicContact CD1-CD2 4.21Å; L315-Y426 HydrophobicContact CD1-CE1 3.75Å; L315-Y426 HydrophobicContact CD1-CE2 4.14Å; L315-Y426 HydrophobicContact CD1-CG 4.09Å; L315-Y426 HydrophobicContact CD2-CE1 4.41Å
316A93.4Very high86.7Confident2 Ų253.5 Ų53.52%0.01727%0.268CS..EExtended strand (participates in β ladder)trans-126.2140.4175.600000110.6I425 L427A316-I425 PolarHBondContact N-O 3.32Å; A316-I425 PolarHBondContact O-N 2.8Å; A316-L427 HydrophobicContact CB-CD1 3.87Å
317Y93.3Very high86.4Confident23 Ų2345 Ų459%0.0924%0.241CC..EExtended strand (participates in β ladder)trans-108.4114167.7-71.6-92.1000108V295 L315 C423 K424 A449 E453 Y454 L457V295-Y317 HydrophobicContact CG1-CD2 3.97Å; V295-Y317 HydrophobicContact CG1-CE2 4.36Å; V295-Y317 HydrophobicContact CG2-CE2 4.25Å; L315-Y317 HydrophobicContact CD2-CE2 4.08Å; L315-Y317 HydrophobicContact CG-CE2 4.13Å; Y317-C423 WeakPolarHBondContact CA-O 3.4Å; Y317-K424 HydrophobicContact CD1-CB 4.33Å; Y317-K424 HydrophobicContact CE1-CB 3.91Å; Y317-K424 HydrophobicContact CE1-CD 4.21Å; Y317-K424 HydrophobicContact CE1-CG 3.87Å; Y317-K424 VanDerWaalsContact OH-CE 3.29Å; Y317-K424 WeakPolarHBondContact OH-CE 3.13Å; Y317-A449 HydrophobicContact CD1-CB 3.99Å; Y317-A449 HydrophobicContact CE1-CB 4.22Å; Y317-E453 PolarHBondContact OH-OE1 2.48Å; Y317-E453 PolarHBondContact OH-OE2 3Å; Y317-Y454 AromaticContact CD1-CD2 3.94Å; Y317-Y454 HydrophobicContact CD1-CD2 3.94Å; Y317-Y454 HydrophobicContact CG-CD2 4.07Å; Y317-Y454 HydrophobicContact CG-CE2 4.48Å; Y317-L457 HydrophobicContact CD2-CD2 3.82Å; Y317-L457 HydrophobicContact CE2-CD2 3.94Å
318G93.1Very high86.3Confident2 Ų239.7 Ų39.72%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-161.1177.1-17400000111.4T376 C423G318-T376 CarbonylContact C-O 3.52Å; G318-T376 WeakPolarHBondContact CA-O 3.47Å; G318-C423 PolarHBondContact N-O 3.22Å; G318-C423 PolarHBondContact O-N 2.87Å
319F94.7Very high86.6Confident68 Ų6838.5 Ų38.530%0.29822%0.217SC..EExtended strand (participates in β ladder)trans-92.9138.8175.9-57.9-82.7000109.7S321 V375 T376 L420 E421 R422F319-S321 PolarHBondContact O-N 2.84Å; F319-V375 WeakPolarHBondContact O-CA 3.17Å; F319-T376 PolarHBondContact N-O 3.27Å; F319-T376 PolarHBondContact O-N 3.1Å; F319-L420 WeakPolarHBondContact CD1-O 3.37Å; F319-E421 WeakPolarHBondContact CA-O 3.42Å; F319-R422 HydrophobicContact CD1-CB 4.25Å; F319-R422 HydrophobicContact CE1-CB 3.97Å
320V95.3Very high87Confident5 Ų538.3 Ų38.33%0.0321%0.21CC..EExtended strand (participates in β ladder)trans-74.8103162.9171.60000106.9L323 V373 D374 L419 L420 C423 I425V320-L323 HydrophobicContact CG1-CB 3.73Å; V320-L323 HydrophobicContact CG1-CD2 4.36Å; V320-V373 HydrophobicContact CB-CG1 4.41Å; V320-V373 HydrophobicContact CG1-CG1 3.53Å; V320-V373 HydrophobicContact CG2-CG1 4.2Å; V320-D374 CarbonylContact C-O 3.48Å; V320-D374 WeakPolarHBondContact CA-O 3.31Å; V320-L419 CarbonylContact O-C 3.6Å; V320-L419 WeakPolarHBondContact O-CA 3.5Å; V320-L420 PolarHBondContact O-N 3.03Å; V320-C423 HydrophobicContact CG2-CB 4.4Å; V320-I425 HydrophobicContact CG2-CD1 4.33Å
321S93.6Very high87.2Confident40 Ų4039.1 Ų39.128%0.2821%0.212SC..EExtended strand (participates in β ladder)trans-91.3-15.5-174.454.10000113.6F319 D374 T376F319-S321 PolarHBondContact O-N 2.84Å; S321-D374 PolarHBondContact N-O 2.85Å; S321-D374 WeakPolarHBondContact OG-CB 3.43Å; S321-D374 PolarHBondContact OG-O 3.43Å; S321-T376 WeakPolarHBondContact CB-OG1 3.42Å; S321-T376 PolarHBondContact OG-OG1 3.19Å
322K93.6Very high87.6Confident90 Ų9037.5 Ų37.539%0.39120%0.201SC..EExtended strand (participates in β ladder)trans-142.6126.2173.5-173.3-176.1175.7-176.60109.5D324 V373 D374K322-D324 WeakPolarHBondContact CE-OD2 3.49Å; K322-D324 IonicContact NZ-OD2 3.74Å; K322-V373 WeakPolarHBondContact O-CA 3.4Å; K322-V373 WeakPolarHBondContact O-CG1 3.25Å; K322-D374 HydrophobicContact CB-CB 3.6Å; K322-D374 PolarHBondContact O-N 2.81Å; K322-D374 VanDerWaalsContact O-N 3.13Å
323L92.9Very high87.5Confident5 Ų537.3 Ų37.33%0.02620%0.201CC..  trans-156109.8177.3174.962.6000108.2V320 L325 L371 V373 K415 F418 L419V320-L323 HydrophobicContact CG1-CB 3.73Å; V320-L323 HydrophobicContact CG1-CD2 4.36Å; L323-L325 HydrophobicContact CD1-CD1 4.45Å; L323-L325 HydrophobicContact CD1-CD2 4.01Å; L323-L325 HydrophobicContact CD1-CG 4.04Å; L323-L325 HydrophobicContact CD2-CD1 4.06Å; L323-L325 HydrophobicContact CD2-CG 4.35Å; L323-L325 HydrophobicContact CG-CD1 4.2Å; L323-L325 HydrophobicContact CG-CD2 4.45Å; L323-L325 HydrophobicContact CG-CG 3.93Å; L323-L371 HydrophobicContact CD1-CD1 4.33Å; L323-V373 HydrophobicContact CD1-CG2 4.1Å; L323-K415 VanDerWaalsContact O-CD 3.23Å; L323-K415 WeakPolarHBondContact O-CD 3.49Å; L323-K415 WeakPolarHBondContact O-CE 3.2Å; L323-K415 WeakPolarHBondContact O-CG 3.5Å; L323-F418 HydrophobicContact CD2-CB 3.9Å; L323-L419 HydrophobicContact CB-CD1 4.13Å
324D88.5Confident87.1Confident65 Ų6540.4 Ų40.435%0.34821%0.211SC..  trans-104.480.3-171.4-65.3-31.5000110.9K322K322-D324 WeakPolarHBondContact CE-OD2 3.49Å; K322-D324 IonicContact NZ-OD2 3.74Å
325L90Very high86.3Confident0 Ų041 Ų410%021%0.214CC..  trans-97.2-19.9176.6-56.8179.2000113.8L323 S327 L371 L396 F403 L414 K415L323-L325 HydrophobicContact CD1-CD1 4.45Å; L323-L325 HydrophobicContact CD1-CD2 4.01Å; L323-L325 HydrophobicContact CD1-CG 4.04Å; L323-L325 HydrophobicContact CD2-CD1 4.06Å; L323-L325 HydrophobicContact CD2-CG 4.35Å; L323-L325 HydrophobicContact CG-CD1 4.2Å; L323-L325 HydrophobicContact CG-CD2 4.45Å; L323-L325 HydrophobicContact CG-CG 3.93Å; L325-S327 VanDerWaalsContact C-N 3.26Å; L325-L371 HydrophobicContact CD2-CD1 3.63Å; L325-L371 HydrophobicContact CD2-CD2 3.85Å; L325-L371 HydrophobicContact CD2-CG 4.41Å; L325-L396 HydrophobicContact CD1-CD1 4.47Å; L325-L396 HydrophobicContact CD1-CD2 3.66Å; L325-L396 HydrophobicContact CD2-CD1 4.14Å; L325-L396 HydrophobicContact CD2-CD2 4.49Å; L325-F403 HydrophobicContact CB-CE2 4.15Å; L325-F403 HydrophobicContact CB-CZ 4.06Å; L325-F403 HydrophobicContact CD1-CE2 4.44Å; L325-F403 HydrophobicContact CD2-CE2 4.19Å; L325-F403 HydrophobicContact CD2-CZ 4.36Å; L325-F403 HydrophobicContact CG-CE2 4.49Å; L325-L414 HydrophobicContact CD1-CB 4.33Å; L325-L414 HydrophobicContact CD1-CD2 4.13Å; L325-L414 HydrophobicContact CD1-CG 3.95Å; L325-K415 HydrophobicContact CB-CB 4.2Å; L325-K415 HydrophobicContact CD1-CB 4.29Å; L325-K415 HydrophobicContact CG-CB 4.43Å
326D83.3Confident85.4Confident64 Ų6445 Ų4534%0.34223%0.229SC..SBendtrans-87.85.7-179.555.4-18.2000112.7K415D326-K415 HydrophobicContact CB-CD 4.38Å; D326-K415 WeakPolarHBondContact OD1-CD 3.38Å; D326-K415 IonicContact OD1-NZ 2.71Å; D326-K415 PolarHBondContact OD1-NZ 3.46Å; D326-K415 IonicContact OD2-NZ 2.68Å; D326-K415 PolarHBondContact OD2-NZ 2.72Å
327S76.4Confident84.1Confident33 Ų3345 Ų4523%0.23123%0.229CC..SBendtrans-88.2-178.9174.177.60000111.6L325 V329L325-S327 VanDerWaalsContact C-N 3.26Å; S327-V329 PolarHBondContact O-N 2.93Å
328S79.5Confident82.8Confident57 Ų5745.5 Ų45.540%0.39924%0.238SC..  trans-57.4140.7177.959.70000111.4S330 K331S328-S330 PolarHBondContact O-N 2.77Å; S328-S330 PolarHBondContact OG-OG 3.25Å; S328-K331 WeakPolarHBondContact O-CB 3.27Å; S328-K331 PolarHBondContact O-N 3.12Å; S328-K331 WeakPolarHBondContact OG-CG 3.05Å
329V77.5Confident81.2Confident37 Ų3749.9 Ų49.922%0.22425%0.254CS..Hα-helixtrans-48.5-36.3177.6174.30000112S327 K331 V332 F333 V404S327-V329 PolarHBondContact O-N 2.93Å; V329-K331 PolarHBondContact O-N 3.18Å; V329-V332 PolarHBondContact O-N 2.96Å; V329-V332 VanDerWaalsContact O-N 3.1Å; V329-F333 HydrophobicContact CB-CD2 4.48Å; V329-F333 HydrophobicContact CG1-CD2 3.46Å; V329-F333 VanDerWaalsContact CG1-CD2 3.46Å; V329-F333 HydrophobicContact CG1-CE2 3.73Å; V329-F333 VanDerWaalsContact O-CD2 3.3Å; V329-F333 WeakPolarHBondContact O-CD2 3.31Å; V329-F333 PolarHBondContact O-N 3.26Å; V329-V404 HydrophobicContact CG1-CG2 4.29Å
330S72.5Confident79.2Confident88 Ų8847.3 Ų47.362%0.61524%0.244SC*.Hα-helixtrans-63-16175.8580000116S328S328-S330 PolarHBondContact O-N 2.77Å; S328-S330 PolarHBondContact OG-OG 3.25Å
331K78.6Confident77.5Confident146 Ų14653.5 Ų53.564%0.63527%0.267SS*.Hα-helixtrans-96.8-17175.7-67.8175.9-178.9179.10112.9S328 V329S328-K331 WeakPolarHBondContact O-CB 3.27Å; S328-K331 PolarHBondContact O-N 3.12Å; S328-K331 WeakPolarHBondContact OG-CG 3.05Å; V329-K331 PolarHBondContact O-N 3.18Å
332V84.1Confident75.6Confident0 Ų055.8 Ų55.80%027%0.272CS..Hα-helixtrans-91.1-33.1179.11740000110.7V329 F369 D370 L371 F403V329-V332 PolarHBondContact O-N 2.96Å; V329-V332 VanDerWaalsContact O-N 3.1Å; V332-F369 HydrophobicContact CG1-CD1 3.54Å; V332-F369 HydrophobicContact CG1-CE1 3.52Å; V332-D370 PolarHBondContact O-N 3.49Å; V332-L371 HydrophobicContact CB-CD2 4.33Å; V332-L371 HydrophobicContact CG1-CD2 4.07Å; V332-L371 HydrophobicContact CG2-CD2 4.36Å; V332-F403 HydrophobicContact CB-CE1 4.33Å; V332-F403 HydrophobicContact CG1-CD1 4.36Å; V332-F403 HydrophobicContact CG1-CE1 3.75Å; V332-F403 HydrophobicContact CG1-CZ 3.84Å; V332-F403 HydrophobicContact CG2-CE1 4.34Å; V332-F403 HydrophobicContact CG2-CZ 4.28Å
333F83.8Confident74.2Confident10 Ų1055.6 Ų55.64%0.04428%0.275CS..EExtended strand (participates in β ladder)trans-114.5152.2-177.8-59-68.6000112.7V329 T367 A368 F369 T400 F403 V404V329-F333 HydrophobicContact CB-CD2 4.48Å; V329-F333 HydrophobicContact CG1-CD2 3.46Å; V329-F333 VanDerWaalsContact CG1-CD2 3.46Å; V329-F333 HydrophobicContact CG1-CE2 3.73Å; V329-F333 VanDerWaalsContact O-CD2 3.3Å; V329-F333 WeakPolarHBondContact O-CD2 3.31Å; V329-F333 PolarHBondContact O-N 3.26Å; F333-T367 HydrophobicContact CB-CG2 3.64Å; F333-T367 HydrophobicContact CD1-CG2 4.08Å; F333-T367 HydrophobicContact CG-CG2 3.92Å; F333-A368 WeakPolarHBondContact CA-O 3.42Å; F333-F369 AromaticContact CD1-CD1 3.97Å; F333-F369 HydrophobicContact CD1-CD1 3.97Å; F333-F369 HydrophobicContact CD1-CE1 4.27Å; F333-F369 HydrophobicContact CD1-CG 4.14Å; F333-F369 AromaticContact CE1-CD1 3.45Å; F333-F369 HydrophobicContact CE1-CD1 3.45Å; F333-F369 VanDerWaalsContact CE1-CD1 3.45Å; F333-F369 AromaticContact CE1-CD2 3.92Å; F333-F369 HydrophobicContact CE1-CD2 3.92Å; F333-F369 AromaticContact CE1-CE1 3.33Å; F333-F369 HydrophobicContact CE1-CE1 3.33Å; F333-F369 AromaticContact CE1-CE2 3.82Å; F333-F369 HydrophobicContact CE1-CE2 3.82Å; F333-F369 AromaticContact CE1-CG 3.76Å; F333-F369 HydrophobicContact CE1-CG 3.76Å; F333-F369 AromaticContact CE1-CZ 3.54Å; F333-F369 HydrophobicContact CE1-CZ 3.54Å; F333-F369 HydrophobicContact CZ-CD1 4.13Å; F333-F369 AromaticContact CZ-CE1 3.6Å; F333-F369 HydrophobicContact CZ-CE1 3.6Å; F333-F369 HydrophobicContact CZ-CE2 4.45Å; F333-F369 AromaticContact CZ-CZ 3.79Å; F333-F369 HydrophobicContact CZ-CZ 3.79Å; F333-T400 HydrophobicContact CD1-CG2 4.16Å; F333-T400 HydrophobicContact CE1-CG2 3.8Å; F333-F403 AromaticContact CE2-CD1 3.51Å; F333-F403 HydrophobicContact CE2-CD1 3.51Å; F333-F403 AromaticContact CE2-CE1 3.95Å; F333-F403 HydrophobicContact CE2-CE1 3.95Å; F333-F403 HydrophobicContact CE2-CG 4.44Å; F333-F403 HydrophobicContact CZ-CB 3.95Å; F333-F403 AromaticContact CZ-CD1 3.33Å; F333-F403 HydrophobicContact CZ-CD1 3.33Å; F333-F403 HydrophobicContact CZ-CE1 4.06Å; F333-F403 AromaticContact CZ-CG 3.83Å; F333-F403 HydrophobicContact CZ-CG 3.83Å; F333-V404 HydrophobicContact CE2-CG2 3.87Å; F333-V404 HydrophobicContact CZ-CG2 4.26Å
334R80Confident73.1Confident104 Ų10455.7 Ų55.739%0.39228%0.275SS..EExtended strand (participates in β ladder)trans-117.3131.4158.7-80.1-163.5-179.7155.6-14.1110.4L343 A368 D370R334-L343 HydrophobicContact CB-CD1 4.13Å; R334-L343 HydrophobicContact CG-CD1 4.08Å; R334-A368 PolarHBondContact N-O 3.15Å; R334-A368 PolarHBondContact O-N 3.38Å; R334-D370 HydrophobicContact CB-CB 4.11Å; R334-D370 WeakPolarHBondContact CD-OD2 3.43Å; R334-D370 HydrophobicContact CG-CB 3.86Å; R334-D370 IonicContact CZ-OD2 2.76Å; R334-D370 IonicContact NE-OD2 3.16Å; R334-D370 PolarHBondContact NE-OD2 3.38Å; R334-D370 IonicContact NH1-OD2 3.24Å; R334-D370 PolarHBondContact NH1-OD2 3.01Å
335T74.4Confident72.1Confident12 Ų1259 Ų597%0.07429%0.289CS..EExtended strand (participates in β ladder)trans-100.5128.9174.9-53.60000109.4V344 A365 T367T335-V344 HydrophobicContact CG2-CG2 3.69Å; T335-V344 PolarHBondContact O-N 3.12Å; T335-A365 HydrophobicContact CG2-CB 3.59Å; T335-T367 PolarHBondContact OG1-OG1 2.9Å
336R74.7Confident70.7Confident95 Ų9564.9 Ų64.936%0.35832%0.316SS..EExtended strand (participates in β ladder)trans-123.9150.1178.5-68.3179.1179.7-83.20.6109.8A338 R341 F342 A365 C366R336-A338 PolarHBondContact O-N 3.33Å; R336-R341 WeakPolarHBondContact CB-O 3.41Å; R336-R341 WeakPolarHBondContact CD-O 2.82Å; R336-R341 WeakPolarHBondContact CG-O 3.19Å; R336-R341 PolarHBondContact NH1-O 2.79Å; R336-F342 CarbonylContact C-O 3.58Å; R336-F342 WeakPolarHBondContact CA-O 3.37Å; R336-A365 CarbonylContact O-C 3.58Å; R336-A365 WeakPolarHBondContact O-CA 3.48Å; R336-C366 PolarHBondContact N-O 2.85Å; R336-C366 PolarHBondContact O-N 2.78Å
337C66.5Low69.7Low2 Ų269.8 Ų69.81%0.01434%0.337CS..EExtended strand (participates in β ladder)trans-60.8130.3169.3-177.20000109.6R339 C340 R341 F342 V344 C351 C356 L363 T364C337-R339 PolarHBondContact O-N 2.98Å; C337-R339 VanDerWaalsContact O-N 3.13Å; C337-R339 PolarHBondContact SG-N 3.5Å; C337-R339 VanDerWaalsContact SG-N 3.43Å; C337-C340 VanDerWaalsContact CB-SG 3.59Å; C337-R341 WeakPolarHBondContact O-CA 3.22Å; C337-R341 PolarHBondContact O-N 3.25Å; C337-F342 PolarHBondContact N-O 2.81Å; C337-V344 HydrophobicContact CB-CG1 4.26Å; C337-C351 HydrophobicContact CB-CB 4.28Å; C337-C351 VanDerWaalsContact CB-SG 3.56Å; C337-C356 VanDerWaalsContact SG-SG 3.69Å; C337-L363 HydrophobicContact CB-CD1 4.02Å; C337-T364 CarbonylContact C-O 3.57Å
338A65.5Low69.2Low33 Ų3371.5 Ų71.527%0.27334%0.343SS..THydrogen-bonded Turntrans-63.6-17.617700000112.7R336 T364 C366R336-A338 PolarHBondContact O-N 3.33Å; A338-T364 HydrophobicContact CB-CG2 3.7Å; A338-T364 WeakPolarHBondContact CB-O 3.43Å; A338-T364 PolarHBondContact N-O 3.2Å; A338-C366 WeakPolarHBondContact CB-SG 3.25Å
339R60Low68.8Low94 Ų9475.9 Ų75.936%0.35536%0.358SS..THydrogen-bonded Turntrans-96.5-53.1-175.4-55.3-176.3-171.8160.111.8113C337 P357 P362 T364C337-R339 PolarHBondContact O-N 2.98Å; C337-R339 VanDerWaalsContact O-N 3.13Å; C337-R339 PolarHBondContact SG-N 3.5Å; C337-R339 VanDerWaalsContact SG-N 3.43Å; R339-P357 HydrophobicContact CB-CG 4.22Å; R339-P362 PolarHBondContact NH2-O 3.04Å; R339-T364 PolarHBondContact NH2-OG1 3.15Å; R339-T364 VanDerWaalsContact NH2-OG1 3.09Å
340C52.3Low68.8Low14 Ų1478.6 Ų78.610%0.09537%0.367CS..THydrogen-bonded Turntrans-109.13.7-179.465.40000114.1C337 F342 C351 C356C337-C340 VanDerWaalsContact CB-SG 3.59Å; C340-F342 PolarHBondContact O-N 3.07Å; C340-F342 VanDerWaalsContact SG-CB 3.51Å; C340-C351 PolarHBondContact SG-SG 3.48Å; C340-C356 HydrophobicContact CB-CB 4.27Å
341R59.2Low68.7Low134 Ų13475.2 Ų75.251%0.50634%0.344SS..  trans55.311.3-178.7-55.7-63.4-170160.24.2115.8R336 C337R336-R341 WeakPolarHBondContact CB-O 3.41Å; R336-R341 WeakPolarHBondContact CD-O 2.82Å; R336-R341 WeakPolarHBondContact CG-O 3.19Å; R336-R341 PolarHBondContact NH1-O 2.79Å; C337-R341 WeakPolarHBondContact O-CA 3.22Å; C337-R341 PolarHBondContact O-N 3.25Å
342F54.1Low68.1Low88 Ų8871.3 Ų71.339%0.38634%0.335SS..  trans-61.7140.7175.7-168.3-99.8000110.7R336 C337 C340 V344 S352 N353R336-F342 CarbonylContact C-O 3.58Å; R336-F342 WeakPolarHBondContact CA-O 3.37Å; C337-F342 PolarHBondContact N-O 2.81Å; C340-F342 PolarHBondContact O-N 3.07Å; C340-F342 VanDerWaalsContact SG-CB 3.51Å; F342-V344 HydrophobicContact CD1-CG1 4.39Å; F342-V344 PolarHBondContact O-N 3.24Å; F342-S352 WeakPolarHBondContact CE1-OG 2.98Å; F342-N353 HydrophobicContact CB-CB 3.74Å; F342-N353 HydrophobicContact CD1-CB 3.93Å; F342-N353 HydrophobicContact CD2-CB 3.84Å; F342-N353 HydrophobicContact CE1-CB 4.49Å; F342-N353 HydrophobicContact CE2-CB 4.41Å; F342-N353 HydrophobicContact CG-CB 3.58Å
343L64Low67.1Low87 Ų8772.3 Ų72.346%0.45534%0.34SS..BIsolated β-bridgetrans-66.5118.8177.4-17472.7000108.9R334R334-L343 HydrophobicContact CB-CD1 4.13Å; R334-L343 HydrophobicContact CG-CD1 4.08Å
344V70.3Confident65.7Low6 Ų677.8 Ų77.84%0.03638%0.377CS..  trans-117.1141.4-178.8-67.90000109.1T335 C337 F342 L363T335-V344 HydrophobicContact CG2-CG2 3.69Å; T335-V344 PolarHBondContact O-N 3.12Å; C337-V344 HydrophobicContact CB-CG1 4.26Å; F342-V344 HydrophobicContact CD1-CG1 4.39Å; F342-V344 PolarHBondContact O-N 3.24Å; V344-L363 HydrophobicContact CB-CD2 4.15Å; V344-L363 HydrophobicContact CG1-CD1 4.09Å; V344-L363 HydrophobicContact CG1-CD2 4.48Å; V344-L363 HydrophobicContact CG2-CD1 4.29Å; V344-L363 HydrophobicContact CG2-CD2 3.92Å
345Q67.4Low64.4Low134 Ų13477.7 Ų77.763%0.62638%0.383SS*.  trans-75.5140.5168.5-69.5-178.9-4600108.9E347 L348Q345-E347 PolarHBondContact O-N 2.84Å; Q345-E347 VanDerWaalsContact O-N 3.08Å; Q345-L348 HydrophobicContact CB-CD1 4.04Å; Q345-L348 HydrophobicContact CB-CG 4.33Å; Q345-L348 PolarHBondContact O-N 2.91Å; Q345-L348 VanDerWaalsContact O-N 3.12Å
346Q60.5Low63.5Low124 Ų12477.7 Ų77.758%0.57938%0.384SS*.THydrogen-bonded Turntrans-64-18.2-170.3-159171.25.200113.4
347E63.2Low62.6Low168 Ų16877.8 Ų77.879%0.78540%0.397SS*.THydrogen-bonded Turntrans-84.6-8.9179.8-63129.7-152.400113.9Q345Q345-E347 PolarHBondContact O-N 2.84Å; Q345-E347 VanDerWaalsContact O-N 3.08Å
348L65.3Low62.3Low69 Ų6978 Ų7836%0.36140%0.399SS..  trans-83.8127.7-175.7-67.7167.8000111.4Q345 H350 L363Q345-L348 HydrophobicContact CB-CD1 4.04Å; Q345-L348 HydrophobicContact CB-CG 4.33Å; Q345-L348 PolarHBondContact O-N 2.91Å; Q345-L348 VanDerWaalsContact O-N 3.12Å; L348-H350 VanDerWaalsContact C-N 3.27Å; L348-H350 PolarHBondContact O-N 2.8Å; L348-L363 WeakPolarHBondContact O-CD2 3.48Å
349Q71.7Confident62.4Low149 Ų14978.9 Ų78.970%0.69641%0.411SS*.SBendtrans-76-14.8175.5-66.7-74.8-21.300113L363Q349-L363 WeakPolarHBondContact O-CB 3.41Å; Q349-L363 PolarHBondContact O-N 3.12Å
350H76.7Confident62.5Low93 Ų9383 Ų8343%0.43144%0.435SS..SBendtrans-136.1155.9-177.4-5593.7000110.4L348 S352 E360L348-H350 VanDerWaalsContact C-N 3.27Å; L348-H350 PolarHBondContact O-N 2.8Å; H350-S352 PolarHBondContact O-N 3.16Å; H350-E360 PolarHBondContact CD2-O 3.41Å; H350-E360 PolarHBondContact NE2-O 3.33Å
351C70.1Confident63.4Low17 Ų1790.5 Ų90.512%0.11546%0.461CS..  trans-70.8125.2174.2-171.80000109.8C337 C340 N353 C356 L363C337-C351 HydrophobicContact CB-CB 4.28Å; C337-C351 VanDerWaalsContact CB-SG 3.56Å; C340-C351 PolarHBondContact SG-SG 3.48Å; C351-N353 PolarHBondContact O-N 2.76Å; C351-C356 HydrophobicContact CB-CB 3.98Å; C351-L363 HydrophobicContact CB-CD1 4.03Å
352S67.4Low64.2Low65 Ų6588.7 Ų88.746%0.45547%0.466SS..SBendtrans-71.9-3177.148.80000114F342 H350 P354F342-S352 WeakPolarHBondContact CE1-OG 2.98Å; H350-S352 PolarHBondContact O-N 3.16Å; S352-P354 VanDerWaalsContact O-CD 3.29Å; S352-P354 WeakPolarHBondContact O-CD 3.3Å
353N62.3Low65.2Low20 Ų2086.3 Ų86.311%0.10746%0.458CS..  trans-79.2113.1173.5-177.35000109.8F342 C351 L355 C356F342-N353 HydrophobicContact CB-CB 3.74Å; F342-N353 HydrophobicContact CD1-CB 3.93Å; F342-N353 HydrophobicContact CD2-CB 3.84Å; F342-N353 HydrophobicContact CE1-CB 4.49Å; F342-N353 HydrophobicContact CE2-CB 4.41Å; F342-N353 HydrophobicContact CG-CB 3.58Å; C351-N353 PolarHBondContact O-N 2.76Å; N353-L355 PolarHBondContact O-N 2.68Å; N353-L355 VanDerWaalsContact O-N 3.12Å; N353-L355 PolarHBondContact OD1-N 2.73Å; N353-C356 HydrophobicContact CB-CB 4.18Å; N353-C356 WeakPolarHBondContact O-CB 3.36Å; N353-C356 PolarHBondContact O-N 3.14Å
354P54.1Low65.8Low126 Ų12685.4 Ų85.482%0.81846%0.456SS*.THydrogen-bonded Turntrans-64.2-15.7178.927.2-34.5000113.2S352S352-P354 VanDerWaalsContact O-CD 3.29Å; S352-P354 WeakPolarHBondContact O-CD 3.3Å
355L52.4Low66.1Low101 Ų10187.3 Ų87.353%0.52947%0.472SS..THydrogen-bonded Turntrans-100.49.7177.9-57.3174.2000112.4V221 N353V221-L355 HydrophobicContact CG2-CB 4.39Å; V221-L355 HydrophobicContact CG2-CD1 3.26Å; V221-L355 HydrophobicContact CG2-CG 4.44Å; N353-L355 PolarHBondContact O-N 2.68Å; N353-L355 VanDerWaalsContact O-N 3.12Å; N353-L355 PolarHBondContact OD1-N 2.73Å
356C55.6Low66.4Low12 Ų1283.2 Ų83.28%0.08146%0.458CS..  trans-65.1128176.9-174.40000110.2C337 C340 C351 N353 G358 G359C337-C356 VanDerWaalsContact SG-SG 3.69Å; C340-C356 HydrophobicContact CB-CB 4.27Å; C351-C356 HydrophobicContact CB-CB 3.98Å; N353-C356 HydrophobicContact CB-CB 4.18Å; N353-C356 WeakPolarHBondContact O-CB 3.36Å; N353-C356 PolarHBondContact O-N 3.14Å; C356-G358 PolarHBondContact O-N 3.44Å; C356-G358 PolarHBondContact SG-N 2.87Å; C356-G359 PolarHBondContact O-N 2.73Å
357P57Low67.5Low98 Ų9879.7 Ų79.764%0.63645%0.445SS*.THydrogen-bonded Turntrans-64.1-4.2176.626-32.2000112.8R339R339-P357 HydrophobicContact CB-CG 4.22Å
358G60Low68.4Low5 Ų573.6 Ų73.65%0.05242%0.424CS..THydrogen-bonded Turntrans-78.8-18.9171.600000115.8C356 E360 R361C356-G358 PolarHBondContact O-N 3.44Å; C356-G358 PolarHBondContact SG-N 2.87Å; G358-E360 PolarHBondContact O-N 2.9Å; G358-R361 WeakPolarHBondContact O-CB 3.5Å; G358-R361 VanDerWaalsContact O-CG 3.22Å; G358-R361 WeakPolarHBondContact O-CG 3.32Å; G358-R361 PolarHBondContact O-N 3.39Å
359G67.1Low69.3Low52 Ų5270.5 Ų70.554%0.53641%0.407SS..THydrogen-bonded Turntrans50.9-134.7-17300000112.4C356 R361C356-G359 PolarHBondContact O-N 2.73Å; G359-R361 PolarHBondContact O-N 2.99Å
360E62Low70Confident180 Ų18064.3 Ų64.384%0.84138%0.379SS*.THydrogen-bonded Turntrans-78.89.5175.8-61.2-168161.500114.6H350 G358H350-E360 PolarHBondContact CD2-O 3.41Å; H350-E360 PolarHBondContact NE2-O 3.33Å; G358-E360 PolarHBondContact O-N 2.9Å
361R70.3Confident70.5Confident173 Ų17360.1 Ų60.165%0.65336%0.36SS*.SBendtrans-70.7152.7178.7-65.5174.4178.1178.81.1110.8G358 G359 L363G358-R361 WeakPolarHBondContact O-CB 3.5Å; G358-R361 VanDerWaalsContact O-CG 3.22Å; G358-R361 WeakPolarHBondContact O-CG 3.32Å; G358-R361 PolarHBondContact O-N 3.39Å; G359-R361 PolarHBondContact O-N 2.99Å; R361-L363 PolarHBondContact O-N 3Å
362P76.4Confident71.4Confident95 Ų9563.8 Ų63.862%0.61738%0.377SS*.  trans-53.1138.3178.5-26.133.4000112.5R339 T364R339-P362 PolarHBondContact NH2-O 3.04Å; P362-T364 PolarHBondContact O-N 2.84Å; P362-T364 VanDerWaalsContact O-N 3.12Å
363L75.7Confident72.5Confident38 Ų3860.8 Ų60.820%0.19936%0.357CS..  trans-60.2113.6179.5176.665.2000110.1C337 V344 L348 Q349 C351 R361 A365C337-L363 HydrophobicContact CB-CD1 4.02Å; V344-L363 HydrophobicContact CB-CD2 4.15Å; V344-L363 HydrophobicContact CG1-CD1 4.09Å; V344-L363 HydrophobicContact CG1-CD2 4.48Å; V344-L363 HydrophobicContact CG2-CD1 4.29Å; V344-L363 HydrophobicContact CG2-CD2 3.92Å; L348-L363 WeakPolarHBondContact O-CD2 3.48Å; Q349-L363 WeakPolarHBondContact O-CB 3.41Å; Q349-L363 PolarHBondContact O-N 3.12Å; C351-L363 HydrophobicContact CB-CD1 4.03Å; R361-L363 PolarHBondContact O-N 3Å; L363-A365 HydrophobicContact CD2-CB 4.31Å; L363-A365 HydrophobicContact CG-CB 4.18Å
364T76.4Confident74.1Confident68 Ų6861 Ų6142%0.41736%0.358SS..  trans-88.7119.5160-44.10000106.6C337 A338 R339 P362C337-T364 CarbonylContact C-O 3.57Å; A338-T364 HydrophobicContact CB-CG2 3.7Å; A338-T364 WeakPolarHBondContact CB-O 3.43Å; A338-T364 PolarHBondContact N-O 3.2Å; R339-T364 PolarHBondContact NH2-OG1 3.15Å; R339-T364 VanDerWaalsContact NH2-OG1 3.09Å; P362-T364 PolarHBondContact O-N 2.84Å; P362-T364 VanDerWaalsContact O-N 3.12Å
365A76.7Confident76Confident46 Ų4655.1 Ų55.138%0.3832%0.319SS..EExtended strand (participates in β ladder)trans-114.5144.9-176.100000111.7T335 R336 L363T335-A365 HydrophobicContact CG2-CB 3.59Å; R336-A365 CarbonylContact O-C 3.58Å; R336-A365 WeakPolarHBondContact O-CA 3.48Å; L363-A365 HydrophobicContact CD2-CB 4.31Å; L363-A365 HydrophobicContact CG-CB 4.18Å
366C74.3Confident78Confident49 Ų4951.8 Ų51.833%0.33130%0.303SS..EExtended strand (participates in β ladder)trans-111.4117.6166.1-64.10000108R336 A338R336-C366 PolarHBondContact N-O 2.85Å; R336-C366 PolarHBondContact O-N 2.78Å; A338-C366 WeakPolarHBondContact CB-SG 3.25Å
367T82.4Confident79.9Confident49 Ų4952 Ų5230%0.30130%0.303SS..EExtended strand (participates in β ladder)trans-100.3135.1174.4-58.20000108.5F333 T335F333-T367 HydrophobicContact CB-CG2 3.64Å; F333-T367 HydrophobicContact CD1-CG2 4.08Å; F333-T367 HydrophobicContact CG-CG2 3.92Å; T335-T367 PolarHBondContact OG1-OG1 2.9Å
368A82.2Confident81.5Confident41 Ų4154.8 Ų54.834%0.33931%0.308SS..EExtended strand (participates in β ladder)trans-142.1153176.800000110.1F333 R334 D370F333-A368 WeakPolarHBondContact CA-O 3.42Å; R334-A368 PolarHBondContact N-O 3.15Å; R334-A368 PolarHBondContact O-N 3.38Å; A368-D370 PolarHBondContact O-N 3.49Å
369F85.1Confident83Confident3 Ų356.9 Ų56.91%0.01332%0.319CS..EExtended strand (participates in β ladder)trans-57.8135.6170.8-77.7-77.4000110.8V332 F333 L371 R388 G389 A392 E393 L396 T400 F403V332-F369 HydrophobicContact CG1-CD1 3.54Å; V332-F369 HydrophobicContact CG1-CE1 3.52Å; F333-F369 AromaticContact CD1-CD1 3.97Å; F333-F369 HydrophobicContact CD1-CD1 3.97Å; F333-F369 HydrophobicContact CD1-CE1 4.27Å; F333-F369 HydrophobicContact CD1-CG 4.14Å; F333-F369 AromaticContact CE1-CD1 3.45Å; F333-F369 HydrophobicContact CE1-CD1 3.45Å; F333-F369 VanDerWaalsContact CE1-CD1 3.45Å; F333-F369 AromaticContact CE1-CD2 3.92Å; F333-F369 HydrophobicContact CE1-CD2 3.92Å; F333-F369 AromaticContact CE1-CE1 3.33Å; F333-F369 HydrophobicContact CE1-CE1 3.33Å; F333-F369 AromaticContact CE1-CE2 3.82Å; F333-F369 HydrophobicContact CE1-CE2 3.82Å; F333-F369 AromaticContact CE1-CG 3.76Å; F333-F369 HydrophobicContact CE1-CG 3.76Å; F333-F369 AromaticContact CE1-CZ 3.54Å; F333-F369 HydrophobicContact CE1-CZ 3.54Å; F333-F369 HydrophobicContact CZ-CD1 4.13Å; F333-F369 AromaticContact CZ-CE1 3.6Å; F333-F369 HydrophobicContact CZ-CE1 3.6Å; F333-F369 HydrophobicContact CZ-CE2 4.45Å; F333-F369 AromaticContact CZ-CZ 3.79Å; F333-F369 HydrophobicContact CZ-CZ 3.79Å; F369-L371 HydrophobicContact CD1-CD1 4.15Å; F369-R388 CarbonylContact O-C 3.51Å; F369-R388 VanDerWaalsContact O-CA 3.26Å; F369-R388 WeakPolarHBondContact O-CA 2.85Å; F369-G389 PolarHBondContact O-N 2.89Å; F369-A392 HydrophobicContact CB-CB 3.42Å; F369-A392 VanDerWaalsContact CB-CB 3.42Å; F369-A392 HydrophobicContact CD2-CB 4.19Å; F369-A392 HydrophobicContact CG-CB 3.88Å; F369-E393 HydrophobicContact CD2-CG 3.65Å; F369-E393 HydrophobicContact CE2-CG 3.81Å; F369-L396 HydrophobicContact CD1-CD1 4.11Å; F369-L396 HydrophobicContact CE1-CD1 3.68Å; F369-L396 HydrophobicContact CZ-CD1 3.9Å; F369-T400 HydrophobicContact CD2-CG2 3.94Å; F369-T400 HydrophobicContact CE2-CG2 4.05Å; F369-F403 HydrophobicContact CE1-CB 4.33Å; F369-F403 HydrophobicContact CE1-CD1 4.3Å; F369-F403 AromaticContact CE1-CD2 3.87Å; F369-F403 HydrophobicContact CE1-CD2 3.87Å; F369-F403 HydrophobicContact CE1-CE2 4.24Å; F369-F403 AromaticContact CE1-CG 3.9Å; F369-F403 HydrophobicContact CE1-CG 3.9Å; F369-F403 HydrophobicContact CZ-CB 3.67Å; F369-F403 HydrophobicContact CZ-CD1 4.47Å; F369-F403 AromaticContact CZ-CD2 3.83Å; F369-F403 HydrophobicContact CZ-CD2 3.83Å; F369-F403 AromaticContact CZ-CG 3.73Å; F369-F403 HydrophobicContact CZ-CG 3.73Å
370D85.1Confident84.2Confident20 Ų2055.5 Ų55.511%0.10731%0.306CS..EExtended strand (participates in β ladder)trans-140.984.5171.2-170-1.3000110.1V332 R334 A368 R388V332-D370 PolarHBondContact O-N 3.49Å; R334-D370 HydrophobicContact CB-CB 4.11Å; R334-D370 WeakPolarHBondContact CD-OD2 3.43Å; R334-D370 HydrophobicContact CG-CB 3.86Å; R334-D370 IonicContact CZ-OD2 2.76Å; R334-D370 IonicContact NE-OD2 3.16Å; R334-D370 PolarHBondContact NE-OD2 3.38Å; R334-D370 IonicContact NH1-OD2 3.24Å; R334-D370 PolarHBondContact NH1-OD2 3.01Å; A368-D370 PolarHBondContact O-N 3.49Å; D370-R388 HydrophobicContact CB-CG 4.42Å; D370-R388 VanDerWaalsContact CG-NE 3.34Å; D370-R388 IonicContact OD1-CZ 3.88Å; D370-R388 IonicContact OD1-NE 3.18Å; D370-R388 PolarHBondContact OD1-NE 2.91Å; D370-R388 IonicContact OD1-NH2 3.93Å; D370-R388 PolarHBondContact OD1-NH2 3.19Å; D370-R388 IonicContact OD2-CZ 3.52Å; D370-R388 IonicContact OD2-NE 3.74Å; D370-R388 IonicContact OD2-NH2 2.68Å
371L87.7Confident85.8Confident5 Ų549 Ų493%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-103.7144.1-174.1-66.9167.2000111.3L323 L325 V332 F369 V373 L387 L396L323-L371 HydrophobicContact CD1-CD1 4.33Å; L325-L371 HydrophobicContact CD2-CD1 3.63Å; L325-L371 HydrophobicContact CD2-CD2 3.85Å; L325-L371 HydrophobicContact CD2-CG 4.41Å; V332-L371 HydrophobicContact CB-CD2 4.33Å; V332-L371 HydrophobicContact CG1-CD2 4.07Å; V332-L371 HydrophobicContact CG2-CD2 4.36Å; F369-L371 HydrophobicContact CD1-CD1 4.15Å; L371-V373 HydrophobicContact CB-CG2 4.36Å; L371-L387 HydrophobicContact CB-CB 4.2Å; L371-L387 HydrophobicContact CD1-CD2 4.31Å; L371-L387 PolarHBondContact N-O 3.13Å; L371-L387 PolarHBondContact O-N 3.42Å; L371-L396 HydrophobicContact CD1-CD1 4.09Å
372L88.4Confident86.8Confident93 Ų9340.9 Ų40.949%0.48725%0.248SC..EExtended strand (participates in β ladder)trans-106.9120.5167.9-64.7179.4000109.3A384 C385L372-A384 HydrophobicContact CD2-CB 4.4Å; L372-C385 WeakPolarHBondContact CA-O 3.26Å
373V92.3Very high87.4Confident3 Ų342 Ų422%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-119.9133.9-172.3-175.10000109.7V320 K322 L323 L371 C385 L387 I443V320-V373 HydrophobicContact CB-CG1 4.41Å; V320-V373 HydrophobicContact CG1-CG1 3.53Å; V320-V373 HydrophobicContact CG2-CG1 4.2Å; K322-V373 WeakPolarHBondContact O-CA 3.4Å; K322-V373 WeakPolarHBondContact O-CG1 3.25Å; L323-V373 HydrophobicContact CD1-CG2 4.1Å; L371-V373 HydrophobicContact CB-CG2 4.36Å; V373-C385 PolarHBondContact N-O 3.11Å; V373-C385 WeakPolarHBondContact O-CA 3.34Å; V373-C385 VanDerWaalsContact O-CB 3.24Å; V373-C385 WeakPolarHBondContact O-CB 3.36Å; V373-C385 PolarHBondContact O-N 3.26Å; V373-L387 HydrophobicContact CG2-CB 3.85Å; V373-L387 HydrophobicContact CG2-CD2 3.97Å; V373-I443 HydrophobicContact CB-CD1 3.95Å; V373-I443 HydrophobicContact CG1-CD1 4.18Å; V373-I443 HydrophobicContact CG2-CD1 4.31Å
374D94.4Very high87.9Confident25 Ų2542.1 Ų42.113%0.13425%0.251CS..EExtended strand (participates in β ladder)trans-96131170.6-67-6.5000109.6V320 S321 K322 T381 L382 Q383 A384V320-D374 CarbonylContact C-O 3.48Å; V320-D374 WeakPolarHBondContact CA-O 3.31Å; S321-D374 PolarHBondContact N-O 2.85Å; S321-D374 WeakPolarHBondContact OG-CB 3.43Å; S321-D374 PolarHBondContact OG-O 3.43Å; K322-D374 HydrophobicContact CB-CB 3.6Å; K322-D374 PolarHBondContact O-N 2.81Å; K322-D374 VanDerWaalsContact O-N 3.13Å; D374-T381 HydrophobicContact CB-CG2 4.02Å; D374-L382 WeakPolarHBondContact CA-O 3.33Å; D374-Q383 VanDerWaalsContact OD1-CA 3.27Å; D374-Q383 WeakPolarHBondContact OD1-CA 3.4Å; D374-A384 PolarHBondContact OD1-N 3.05Å
375V94.9Very high88.5Confident1 Ų138.9 Ų38.91%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-110.3121.4177.7176.60000108.5F319 T381 L382 I425F319-V375 WeakPolarHBondContact O-CA 3.17Å; V375-T381 CarbonylContact O-C 3.57Å; V375-T381 WeakPolarHBondContact O-CA 3.5Å; V375-L382 HydrophobicContact CB-CB 4.42Å; V375-L382 PolarHBondContact N-O 3.01Å; V375-L382 PolarHBondContact O-N 2.83Å; V375-I425 HydrophobicContact CB-CD1 4.24Å; V375-I425 HydrophobicContact CG1-CD1 3.55Å; V375-I425 HydrophobicContact CG2-CD1 3.65Å
376T94.5Very high89Confident31 Ų3137 Ų3719%0.1922%0.216CC..EExtended strand (participates in β ladder)trans-121.5134.3-177-63.70000111.3G318 F319 S321 G380 T381G318-T376 CarbonylContact C-O 3.52Å; G318-T376 WeakPolarHBondContact CA-O 3.47Å; F319-T376 PolarHBondContact N-O 3.27Å; F319-T376 PolarHBondContact O-N 3.1Å; S321-T376 WeakPolarHBondContact CB-OG1 3.42Å; S321-T376 PolarHBondContact OG-OG1 3.19Å; T376-G380 WeakPolarHBondContact CA-O 3.48Å; T376-T381 WeakPolarHBondContact CG2-OG1 3.38Å; T376-T381 WeakPolarHBondContact OG1-CB 3.12Å; T376-T381 WeakPolarHBondContact OG1-CG2 3.43Å; T376-T381 PolarHBondContact OG1-OG1 3.2Å
377D94.1Very high89.7Confident16 Ų1635 Ų359%0.08620%0.201CC..EExtended strand (participates in β ladder)trans-124.2-173.9165.574.87.2000110.8T297 V298 T379 G380T297-D377 WeakPolarHBondContact CA-OD2 3.29Å; T297-D377 VanDerWaalsContact CB-OD2 3.24Å; T297-D377 WeakPolarHBondContact CB-OD2 3.22Å; V298-D377 WeakPolarHBondContact CB-OD1 3.14Å; V298-D377 HydrophobicContact CG2-CB 4.24Å; V298-D377 PolarHBondContact N-OD2 3.37Å; D377-T379 PolarHBondContact O-N 3.45Å; D377-T379 VanDerWaalsContact O-N 3.09Å; D377-T379 VanDerWaalsContact OD1-CA 3.3Å; D377-T379 WeakPolarHBondContact OD1-CA 3.3Å; D377-T379 WeakPolarHBondContact OD1-CB 3.48Å; D377-T379 PolarHBondContact OD1-N 3.37Å; D377-T379 PolarHBondContact OD1-OG1 2.7Å; D377-T379 PolarHBondContact OD2-OG1 3.35Å; D377-G380 PolarHBondContact N-O 3.4Å; D377-G380 PolarHBondContact O-N 2.69Å; D377-G380 PolarHBondContact OD1-N 2.8Å; D377-G380 VanDerWaalsContact OD1-N 3.11Å
378H91.4Very high89.9Confident158 Ų15838.4 Ų38.473%0.73121%0.208SC*.THydrogen-bonded Turntrans-64.8-8.6178.966.4-76.3000114.5
379T92.4Very high90Very high48 Ų4837 Ų3729%0.29420%0.198SC..THydrogen-bonded Turntrans-107.6-10.5-179.173.90000113.3T297 V298 K299 D377T297-T379 WeakPolarHBondContact CB-OG1 3.45Å; T297-T379 HydrophobicContact CG2-CG2 3.96Å; T297-T379 PolarHBondContact OG1-OG1 2.93Å; V298-T379 PolarHBondContact N-OG1 2.74Å; K299-T379 HydrophobicContact CB-CG2 4.45Å; K299-T379 WeakPolarHBondContact CB-OG1 3.44Å; K299-T379 PolarHBondContact N-OG1 2.88Å; D377-T379 PolarHBondContact O-N 3.45Å; D377-T379 VanDerWaalsContact O-N 3.09Å; D377-T379 VanDerWaalsContact OD1-CA 3.3Å; D377-T379 WeakPolarHBondContact OD1-CA 3.3Å; D377-T379 WeakPolarHBondContact OD1-CB 3.48Å; D377-T379 PolarHBondContact OD1-N 3.37Å; D377-T379 PolarHBondContact OD1-OG1 2.7Å; D377-T379 PolarHBondContact OD2-OG1 3.35Å
380G92.6Very high89.8Confident24 Ų2441 Ų4125%0.24722%0.224CC..EExtended strand (participates in β ladder)trans148.6-167.1170.500000113.5T376 D377T376-G380 WeakPolarHBondContact CA-O 3.48Å; D377-G380 PolarHBondContact N-O 3.4Å; D377-G380 PolarHBondContact O-N 2.69Å; D377-G380 PolarHBondContact OD1-N 2.8Å; D377-G380 VanDerWaalsContact OD1-N 3.11Å
381T93.7Very high90Very high44 Ų4441.8 Ų41.827%0.2723%0.23SC..EExtended strand (participates in β ladder)trans-116132.4-177.9-54.20000112.1K302 D374 V375 T376 Q383K302-T381 VanDerWaalsContact CE-O 3.31Å; K302-T381 WeakPolarHBondContact CE-O 3.47Å; K302-T381 PolarHBondContact NZ-O 3.5Å; D374-T381 HydrophobicContact CB-CG2 4.02Å; V375-T381 CarbonylContact O-C 3.57Å; V375-T381 WeakPolarHBondContact O-CA 3.5Å; T376-T381 WeakPolarHBondContact CG2-OG1 3.38Å; T376-T381 WeakPolarHBondContact OG1-CB 3.12Å; T376-T381 WeakPolarHBondContact OG1-CG2 3.43Å; T376-T381 PolarHBondContact OG1-OG1 3.2Å; T381-Q383 HydrophobicContact CG2-CG 3.91Å
382L91.6Very high90.1Very high2 Ų241.5 Ų41.51%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-95.1110.5165.8-175.365.4000108.1V298 D374 V375 C385 L427 I429 M439V298-L382 HydrophobicContact CG1-CB 4.22Å; D374-L382 WeakPolarHBondContact CA-O 3.33Å; V375-L382 HydrophobicContact CB-CB 4.42Å; V375-L382 PolarHBondContact N-O 3.01Å; V375-L382 PolarHBondContact O-N 2.83Å; L382-C385 WeakPolarHBondContact CD2-SG 3.29Å; L382-C385 WeakPolarHBondContact CG-SG 3.44Å; L382-L427 HydrophobicContact CD2-CD1 3.96Å; L382-I429 HydrophobicContact CD2-CD1 3.89Å; L382-M439 HydrophobicContact CD1-CE 3.22Å; L382-M439 HydrophobicContact CD1-CG 4.35Å; L382-M439 HydrophobicContact CD1-SD 3.82Å
383Q89.8Confident90.1Very high119 Ų11939.8 Ų39.856%0.55622%0.218SC*.EExtended strand (participates in β ladder)trans-91.5148.5-172-64.5178.3-50.200111.9D374 T381 C385D374-Q383 VanDerWaalsContact OD1-CA 3.27Å; D374-Q383 WeakPolarHBondContact OD1-CA 3.4Å; T381-Q383 HydrophobicContact CG2-CG 3.91Å; Q383-C385 PolarHBondContact O-N 3.45Å
384A86.5Confident90Very high39 Ų3946.7 Ų46.732%0.32225%0.25SC..EExtended strand (participates in β ladder)trans54.245.5171.300000114L372 D374L372-A384 HydrophobicContact CD2-CB 4.4Å; D374-A384 PolarHBondContact OD1-N 3.05Å
385C88.4Confident89.9Confident0 Ų046 Ų460%025%0.247CC..EExtended strand (participates in β ladder)trans-68.2132.4169.9-57.50000109.9L372 V373 L382 Q383 G441 I443L372-C385 WeakPolarHBondContact CA-O 3.26Å; V373-C385 PolarHBondContact N-O 3.11Å; V373-C385 WeakPolarHBondContact O-CA 3.34Å; V373-C385 VanDerWaalsContact O-CB 3.24Å; V373-C385 WeakPolarHBondContact O-CB 3.36Å; V373-C385 PolarHBondContact O-N 3.26Å; L382-C385 WeakPolarHBondContact CD2-SG 3.29Å; L382-C385 WeakPolarHBondContact CG-SG 3.44Å; Q383-C385 PolarHBondContact O-N 3.45Å; C385-G441 CarbonylContact C-O 3.31Å; C385-G441 WeakPolarHBondContact CA-O 3.17Å; C385-I443 HydrophobicContact CB-CD1 3.95Å; C385-I443 HydrophobicContact CB-CG1 4.02Å
386S87.3Confident89.8Confident8 Ų846.1 Ų46.16%0.05625%0.247CC..EExtended strand (participates in β ladder)trans-77.4124.1179.3-176.90000110.9R388 G441 I443S386-R388 VanDerWaalsContact OG-CD 3.24Å; S386-R388 WeakPolarHBondContact OG-CD 3.01Å; S386-R388 WeakPolarHBondContact OG-CG 3.49Å; S386-R388 VanDerWaalsContact OG-CZ 3.27Å; S386-R388 PolarHBondContact OG-NE 3.47Å; S386-G441 PolarHBondContact N-O 3.47Å; S386-I443 PolarHBondContact O-N 3.05Å
387L89.1Confident89.7Confident5 Ų547.4 Ų47.43%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-122.1108.1170.9177.563.6000108.4L371 V373 V391 A392 T395 I443L371-L387 HydrophobicContact CB-CB 4.2Å; L371-L387 HydrophobicContact CD1-CD2 4.31Å; L371-L387 PolarHBondContact N-O 3.13Å; L371-L387 PolarHBondContact O-N 3.42Å; V373-L387 HydrophobicContact CG2-CB 3.85Å; V373-L387 HydrophobicContact CG2-CD2 3.97Å; L387-V391 HydrophobicContact CD1-CB 4.41Å; L387-V391 HydrophobicContact CD1-CG1 3.81Å; L387-A392 HydrophobicContact CD1-CB 4.22Å; L387-A392 HydrophobicContact CD2-CB 4.46Å; L387-A392 HydrophobicContact CG-CB 3.82Å; L387-T395 HydrophobicContact CD2-CG2 4.33Å; L387-I443 HydrophobicContact CB-CD1 4.21Å; L387-I443 HydrophobicContact CD1-CB 4.08Å; L387-I443 HydrophobicContact CD1-CG2 3.87Å
388R85.8Confident89.6Confident121 Ų12147.4 Ų47.446%0.45727%0.268SS..EExtended strand (participates in β ladder)trans-131.7154.1-166.9-67.7-178.2175.8159.110.2113.7F369 D370 S386 V391 A392F369-R388 CarbonylContact O-C 3.51Å; F369-R388 VanDerWaalsContact O-CA 3.26Å; F369-R388 WeakPolarHBondContact O-CA 2.85Å; D370-R388 HydrophobicContact CB-CG 4.42Å; D370-R388 VanDerWaalsContact CG-NE 3.34Å; D370-R388 IonicContact OD1-CZ 3.88Å; D370-R388 IonicContact OD1-NE 3.18Å; D370-R388 PolarHBondContact OD1-NE 2.91Å; D370-R388 IonicContact OD1-NH2 3.93Å; D370-R388 PolarHBondContact OD1-NH2 3.19Å; D370-R388 IonicContact OD2-CZ 3.52Å; D370-R388 IonicContact OD2-NE 3.74Å; D370-R388 IonicContact OD2-NH2 2.68Å; S386-R388 VanDerWaalsContact OG-CD 3.24Å; S386-R388 WeakPolarHBondContact OG-CD 3.01Å; S386-R388 WeakPolarHBondContact OG-CG 3.49Å; S386-R388 VanDerWaalsContact OG-CZ 3.27Å; S386-R388 PolarHBondContact OG-NE 3.47Å; R388-V391 PolarHBondContact O-N 3.03Å; R388-A392 PolarHBondContact O-N 3.46Å
389G84.4Confident89.5Confident11 Ų1142.3 Ų42.311%0.11325%0.248CC..Hα-helixtrans52-134.9165.100000113.4F369 V391 A392 E393F369-G389 PolarHBondContact O-N 2.89Å; G389-V391 PolarHBondContact O-N 3.01Å; G389-A392 WeakPolarHBondContact O-CB 3.25Å; G389-A392 PolarHBondContact O-N 3.27Å; G389-E393 PolarHBondContact O-N 3.02Å; G389-E393 VanDerWaalsContact O-N 3.11Å
390P82.3Confident89.3Confident88 Ų8840.8 Ų40.857%0.57124%0.238SC*.Hα-helixtrans-58.7-32.2-175.9-26.134.8000114.2A392 E393 Q394P390-A392 VanDerWaalsContact C-N 3.32Å; P390-A392 PolarHBondContact O-N 2.76Å; P390-E393 PolarHBondContact O-N 3.25Å; P390-Q394 WeakPolarHBondContact O-CB 3.45Å; P390-Q394 VanDerWaalsContact O-CG 3.23Å; P390-Q394 WeakPolarHBondContact O-CG 3.46Å; P390-Q394 PolarHBondContact O-N 2.91Å
391V88.1Confident89.2Confident36 Ų3646 Ų4622%0.21826%0.256CS..Hα-helixtrans-66.5-38.3178-178.60000110.8L387 R388 G389 T395 I443 L444L387-V391 HydrophobicContact CD1-CB 4.41Å; L387-V391 HydrophobicContact CD1-CG1 3.81Å; R388-V391 PolarHBondContact O-N 3.03Å; G389-V391 PolarHBondContact O-N 3.01Å; V391-T395 VanDerWaalsContact O-CB 3.27Å; V391-T395 WeakPolarHBondContact O-CB 3.4Å; V391-T395 PolarHBondContact O-N 3.14Å; V391-T395 PolarHBondContact O-OG1 3.43Å; V391-I443 HydrophobicContact CG1-CG2 4.48Å; V391-L444 VanDerWaalsContact CG1-C 3.45Å; V391-L444 WeakPolarHBondContact CG1-O 3.4Å
392A89.8Confident89Confident0 Ų048.7 Ų48.70%027%0.266CS..Hα-helixtrans-67.2-44.2174.800000111.2F369 L387 R388 G389 P390 Q394 T395 L396F369-A392 HydrophobicContact CB-CB 3.42Å; F369-A392 VanDerWaalsContact CB-CB 3.42Å; F369-A392 HydrophobicContact CD2-CB 4.19Å; F369-A392 HydrophobicContact CG-CB 3.88Å; L387-A392 HydrophobicContact CD1-CB 4.22Å; L387-A392 HydrophobicContact CD2-CB 4.46Å; L387-A392 HydrophobicContact CG-CB 3.82Å; R388-A392 PolarHBondContact O-N 3.46Å; G389-A392 WeakPolarHBondContact O-CB 3.25Å; G389-A392 PolarHBondContact O-N 3.27Å; P390-A392 VanDerWaalsContact C-N 3.32Å; P390-A392 PolarHBondContact O-N 2.76Å; A392-Q394 PolarHBondContact O-N 3.11Å; A392-T395 PolarHBondContact O-N 2.9Å; A392-L396 WeakPolarHBondContact O-CB 3.47Å; A392-L396 VanDerWaalsContact O-CG 3.28Å; A392-L396 WeakPolarHBondContact O-CG 3.22Å; A392-L396 PolarHBondContact O-N 2.86Å
393E89.4Confident89Confident56 Ų5648.7 Ų48.726%0.26227%0.265SS..Hα-helixtrans-59.5-45.8176.8-65.3-176.213900111.7F369 G389 P390 L396 G397 C398 T400F369-E393 HydrophobicContact CD2-CG 3.65Å; F369-E393 HydrophobicContact CE2-CG 3.81Å; G389-E393 PolarHBondContact O-N 3.02Å; G389-E393 VanDerWaalsContact O-N 3.11Å; P390-E393 PolarHBondContact O-N 3.25Å; E393-L396 PolarHBondContact O-N 2.86Å; E393-G397 VanDerWaalsContact O-CA 3.32Å; E393-G397 WeakPolarHBondContact O-CA 3.48Å; E393-G397 PolarHBondContact O-N 2.81Å; E393-C398 WeakPolarHBondContact CA-O 3.02Å; E393-C398 WeakPolarHBondContact CB-O 3.42Å; E393-C398 PolarHBondContact O-N 2.71Å; E393-T400 PolarHBondContact OE1-N 2.84Å
394Q90.9Very high89Confident149 Ų14946.5 Ų46.570%0.69626%0.26SS*.Hα-helixtrans-64-42.1176.2-72.5173.18.100112.2P390 A392 G397P390-Q394 WeakPolarHBondContact O-CB 3.45Å; P390-Q394 VanDerWaalsContact O-CG 3.23Å; P390-Q394 WeakPolarHBondContact O-CG 3.46Å; P390-Q394 PolarHBondContact O-N 2.91Å; A392-Q394 PolarHBondContact O-N 3.11Å; Q394-G397 PolarHBondContact O-N 2.85Å
395T91.9Very high89.2Confident11 Ų1149 Ų497%0.06728%0.276CS..Hα-helixtrans-64.3-47.7178.8-61.60000110.6L387 V391 A392 G397 F418 C446L387-T395 HydrophobicContact CD2-CG2 4.33Å; V391-T395 VanDerWaalsContact O-CB 3.27Å; V391-T395 WeakPolarHBondContact O-CB 3.4Å; V391-T395 PolarHBondContact O-N 3.14Å; V391-T395 PolarHBondContact O-OG1 3.43Å; A392-T395 PolarHBondContact O-N 2.9Å; T395-G397 VanDerWaalsContact C-N 3.34Å; T395-F418 HydrophobicContact CG2-CE1 4.34Å; T395-F418 WeakPolarHBondContact O-CZ 3.42Å; T395-C446 HydrophobicContact CG2-CB 3.66Å
396L92.3Very high89.3Confident3 Ų351 Ų512%0.01629%0.286CS..Hα-helixtrans-77-23.1-178.1-63.7177.7000112.4L325 F369 L371 A392 E393 C398 L414 F418L325-L396 HydrophobicContact CD1-CD1 4.47Å; L325-L396 HydrophobicContact CD1-CD2 3.66Å; L325-L396 HydrophobicContact CD2-CD1 4.14Å; L325-L396 HydrophobicContact CD2-CD2 4.49Å; F369-L396 HydrophobicContact CD1-CD1 4.11Å; F369-L396 HydrophobicContact CE1-CD1 3.68Å; F369-L396 HydrophobicContact CZ-CD1 3.9Å; L371-L396 HydrophobicContact CD1-CD1 4.09Å; A392-L396 WeakPolarHBondContact O-CB 3.47Å; A392-L396 VanDerWaalsContact O-CG 3.28Å; A392-L396 WeakPolarHBondContact O-CG 3.22Å; A392-L396 PolarHBondContact O-N 2.86Å; E393-L396 PolarHBondContact O-N 2.86Å; L396-C398 VanDerWaalsContact C-N 3.35Å; L396-L414 HydrophobicContact CB-CD2 4.32Å; L396-L414 HydrophobicContact CD2-CD2 4.41Å; L396-L414 HydrophobicContact CD2-CG 4.36Å; L396-L414 WeakPolarHBondContact O-CD1 3.35Å; L396-F418 HydrophobicContact CD2-CD2 4.42Å; L396-F418 HydrophobicContact CD2-CE2 4.35Å
397G91.6Very high89.5Confident58 Ų5854.6 Ų54.660%0.59831%0.307SS*.THydrogen-bonded Turntrans71.230.2-175.900000112.8E393 Q394 T395E393-G397 VanDerWaalsContact O-CA 3.32Å; E393-G397 WeakPolarHBondContact O-CA 3.48Å; E393-G397 PolarHBondContact O-N 2.81Å; Q394-G397 PolarHBondContact O-N 2.85Å; T395-G397 VanDerWaalsContact C-N 3.34Å
398C92Very high89.5Confident16 Ų1659.4 Ų59.411%0.10833%0.333CS..  trans-148.5146.6176.364.70000111.1E393 L396 E402E393-C398 WeakPolarHBondContact CA-O 3.02Å; E393-C398 WeakPolarHBondContact CB-O 3.42Å; E393-C398 PolarHBondContact O-N 2.71Å; L396-C398 VanDerWaalsContact C-N 3.35Å; C398-E402 VanDerWaalsContact CA-OE2 3.27Å; C398-E402 WeakPolarHBondContact CA-OE2 3.47Å; C398-E402 HydrophobicContact CB-CB 4.16Å
399T90.5Very high89.8Confident51 Ų5156.2 Ų56.231%0.31334%0.338SS..  trans-74.8167.6171.759.60000111.7E401 E402 F403T399-E401 VanDerWaalsContact C-N 3.27Å; T399-E401 PolarHBondContact O-N 3.1Å; T399-E402 PolarHBondContact N-OE2 3.19Å; T399-E402 PolarHBondContact O-N 3.01Å; T399-E402 WeakPolarHBondContact OG1-CB 3.44Å; T399-E402 VanDerWaalsContact OG1-CD 3.26Å; T399-E402 WeakPolarHBondContact OG1-CG 3.34Å; T399-E402 PolarHBondContact OG1-N 3.03Å; T399-E402 PolarHBondContact OG1-OE2 2.85Å; T399-F403 WeakPolarHBondContact O-CB 3.49Å; T399-F403 PolarHBondContact O-N 3Å
400T88.4Confident90.1Very high15 Ų1560.3 Ų60.39%0.09235%0.354CS..Hα-helixtrans-58.2-40.1174660000112.6F333 F369 E393 F403 V404F333-T400 HydrophobicContact CD1-CG2 4.16Å; F333-T400 HydrophobicContact CE1-CG2 3.8Å; F369-T400 HydrophobicContact CD2-CG2 3.94Å; F369-T400 HydrophobicContact CE2-CG2 4.05Å; E393-T400 PolarHBondContact OE1-N 2.84Å; T400-F403 PolarHBondContact O-N 2.72Å; T400-V404 WeakPolarHBondContact O-CG2 3.48Å; T400-V404 PolarHBondContact O-N 2.91Å; T400-V404 VanDerWaalsContact O-N 3.11Å
401E88.6Confident90.6Very high134 Ų13457.2 Ų57.263%0.62633%0.331SS*.Hα-helixtrans-66.4-46.2-179.4-65.379.1-176.300111.3T399 F403 V404 S405T399-E401 VanDerWaalsContact C-N 3.27Å; T399-E401 PolarHBondContact O-N 3.1Å; E401-F403 PolarHBondContact O-N 3.06Å; E401-V404 PolarHBondContact O-N 2.83Å; E401-S405 PolarHBondContact O-N 2.76Å
402E91.1Very high90.8Very high101 Ų10157.6 Ų57.647%0.47233%0.334SS..Hα-helixtrans-61-45.2176.3-73.8166.2167.300110.9C398 T399 V404 S405 L406C398-E402 VanDerWaalsContact CA-OE2 3.27Å; C398-E402 WeakPolarHBondContact CA-OE2 3.47Å; C398-E402 HydrophobicContact CB-CB 4.16Å; T399-E402 PolarHBondContact N-OE2 3.19Å; T399-E402 PolarHBondContact O-N 3.01Å; T399-E402 WeakPolarHBondContact OG1-CB 3.44Å; T399-E402 VanDerWaalsContact OG1-CD 3.26Å; T399-E402 WeakPolarHBondContact OG1-CG 3.34Å; T399-E402 PolarHBondContact OG1-N 3.03Å; T399-E402 PolarHBondContact OG1-OE2 2.85Å; E402-V404 PolarHBondContact O-N 3.32Å; E402-S405 WeakPolarHBondContact O-CB 3.27Å; E402-S405 PolarHBondContact O-N 2.76Å; E402-S405 VanDerWaalsContact O-N 3.11Å; E402-S405 PolarHBondContact O-OG 3.23Å; E402-L406 WeakPolarHBondContact O-CG 3.01Å; E402-L406 PolarHBondContact O-N 3.12Å
403F91.4Very high90.9Very high1 Ų160.6 Ų60.60%0.00436%0.358CS..Hα-helixtrans-63.8-38.5-179-176.2-78.2000113L325 V332 F333 F369 T399 T400 E401 S405 L406 R411 L414L325-F403 HydrophobicContact CB-CE2 4.15Å; L325-F403 HydrophobicContact CB-CZ 4.06Å; L325-F403 HydrophobicContact CD1-CE2 4.44Å; L325-F403 HydrophobicContact CD2-CE2 4.19Å; L325-F403 HydrophobicContact CD2-CZ 4.36Å; L325-F403 HydrophobicContact CG-CE2 4.49Å; V332-F403 HydrophobicContact CB-CE1 4.33Å; V332-F403 HydrophobicContact CG1-CD1 4.36Å; V332-F403 HydrophobicContact CG1-CE1 3.75Å; V332-F403 HydrophobicContact CG1-CZ 3.84Å; V332-F403 HydrophobicContact CG2-CE1 4.34Å; V332-F403 HydrophobicContact CG2-CZ 4.28Å; F333-F403 AromaticContact CE2-CD1 3.51Å; F333-F403 HydrophobicContact CE2-CD1 3.51Å; F333-F403 AromaticContact CE2-CE1 3.95Å; F333-F403 HydrophobicContact CE2-CE1 3.95Å; F333-F403 HydrophobicContact CE2-CG 4.44Å; F333-F403 HydrophobicContact CZ-CB 3.95Å; F333-F403 AromaticContact CZ-CD1 3.33Å; F333-F403 HydrophobicContact CZ-CD1 3.33Å; F333-F403 HydrophobicContact CZ-CE1 4.06Å; F333-F403 AromaticContact CZ-CG 3.83Å; F333-F403 HydrophobicContact CZ-CG 3.83Å; F369-F403 HydrophobicContact CE1-CB 4.33Å; F369-F403 HydrophobicContact CE1-CD1 4.3Å; F369-F403 AromaticContact CE1-CD2 3.87Å; F369-F403 HydrophobicContact CE1-CD2 3.87Å; F369-F403 HydrophobicContact CE1-CE2 4.24Å; F369-F403 AromaticContact CE1-CG 3.9Å; F369-F403 HydrophobicContact CE1-CG 3.9Å; F369-F403 HydrophobicContact CZ-CB 3.67Å; F369-F403 HydrophobicContact CZ-CD1 4.47Å; F369-F403 AromaticContact CZ-CD2 3.83Å; F369-F403 HydrophobicContact CZ-CD2 3.83Å; F369-F403 AromaticContact CZ-CG 3.73Å; F369-F403 HydrophobicContact CZ-CG 3.73Å; T399-F403 WeakPolarHBondContact O-CB 3.49Å; T399-F403 PolarHBondContact O-N 3Å; T400-F403 PolarHBondContact O-N 2.72Å; E401-F403 PolarHBondContact O-N 3.06Å; F403-S405 PolarHBondContact O-N 3.4Å; F403-L406 HydrophobicContact CD2-CD1 4.13Å; F403-L406 HydrophobicContact CG-CD1 4.49Å; F403-L406 WeakPolarHBondContact O-CB 3.47Å; F403-L406 PolarHBondContact O-N 2.91Å; F403-L406 VanDerWaalsContact O-N 3.14Å; F403-R411 HydrophobicContact CE1-CG 4.25Å; F403-R411 HydrophobicContact CE2-CG 4.28Å; F403-R411 HydrophobicContact CZ-CB 4.5Å; F403-R411 HydrophobicContact CZ-CG 3.92Å; F403-R411 PolarHBondContact O-NE 3.14Å; F403-L414 HydrophobicContact CD2-CD2 3.98Å; F403-L414 HydrophobicContact CE2-CD2 4Å
404V88.8Confident91.1Very high74 Ų7459 Ų5945%0.44835%0.351SS..Hα-helixtrans-61.6-35.3175.8170.30000110.7V329 F333 T400 E401 E402 L406 R411V329-V404 HydrophobicContact CG1-CG2 4.29Å; F333-V404 HydrophobicContact CE2-CG2 3.87Å; F333-V404 HydrophobicContact CZ-CG2 4.26Å; T400-V404 WeakPolarHBondContact O-CG2 3.48Å; T400-V404 PolarHBondContact O-N 2.91Å; T400-V404 VanDerWaalsContact O-N 3.11Å; E401-V404 PolarHBondContact O-N 2.83Å; E402-V404 PolarHBondContact O-N 3.32Å; V404-L406 VanDerWaalsContact C-N 3.29Å; V404-L406 PolarHBondContact O-N 2.94Å; V404-R411 PolarHBondContact O-NH2 3.28Å
405S90.3Very high91.2Very high92 Ų9253 Ų5364%0.64332%0.323SS*.Hα-helixtrans-74.2-13.2177.479.40000114.8E401 E402 F403E401-S405 PolarHBondContact O-N 2.76Å; E402-S405 WeakPolarHBondContact O-CB 3.27Å; E402-S405 PolarHBondContact O-N 2.76Å; E402-S405 VanDerWaalsContact O-N 3.11Å; E402-S405 PolarHBondContact O-OG 3.23Å; F403-S405 PolarHBondContact O-N 3.4Å
406L90.7Very high91.2Very high40 Ų4059.4 Ų59.421%0.20935%0.346CS..SBendtrans-70.2139.6178.7-62179.6000111.8E402 F403 V404 Q410 R411 L414E402-L406 WeakPolarHBondContact O-CG 3.01Å; E402-L406 PolarHBondContact O-N 3.12Å; F403-L406 HydrophobicContact CD2-CD1 4.13Å; F403-L406 HydrophobicContact CG-CD1 4.49Å; F403-L406 WeakPolarHBondContact O-CB 3.47Å; F403-L406 PolarHBondContact O-N 2.91Å; F403-L406 VanDerWaalsContact O-N 3.14Å; V404-L406 VanDerWaalsContact C-N 3.29Å; V404-L406 PolarHBondContact O-N 2.94Å; L406-Q410 HydrophobicContact CB-CB 4.04Å; L406-Q410 HydrophobicContact CD2-CB 4.09Å; L406-Q410 HydrophobicContact CG-CB 4.47Å; L406-R411 HydrophobicContact CB-CG 3.85Å; L406-R411 HydrophobicContact CD1-CG 4.44Å; L406-R411 PolarHBondContact O-NE 3.32Å; L406-R411 PolarHBondContact O-NH2 3.47Å; L406-L414 HydrophobicContact CD1-CD2 4.24Å
407T91.6Very high91.2Very high84 Ų8465.7 Ų65.752%0.51537%0.369SS..  trans-68.3158.8167.561.50000111.2G409 Q410 R411T407-G409 PolarHBondContact O-N 2.76Å; T407-Q410 WeakPolarHBondContact O-CB 3.41Å; T407-Q410 PolarHBondContact O-N 3.39Å; T407-Q410 VanDerWaalsContact OG1-CG 3.31Å; T407-Q410 WeakPolarHBondContact OG1-CG 3.18Å; T407-Q410 PolarHBondContact OG1-N 3.11Å; T407-Q410 PolarHBondContact OG1-OE1 2.99Å; T407-R411 PolarHBondContact O-N 3.2Å
408D89.3Confident91.2Very high107 Ų10763.2 Ų63.257%0.57234%0.342SS*.Hα-helixtrans-58.2-34.3177.5-65.5-21.8000112.5R411 T412D408-R411 PolarHBondContact O-N 2.9Å; D408-R411 IonicContact OD1-NH1 2.7Å; D408-R411 PolarHBondContact OD1-NH1 3.2Å; D408-T412 WeakPolarHBondContact O-CB 3.42Å; D408-T412 PolarHBondContact O-N 2.82Å; D408-T412 PolarHBondContact O-OG1 3.22Å
409G91.6Very high91.3Very high53 Ų5363.3 Ų63.355%0.54634%0.342SS..Hα-helixtrans-64-41.5173.100000112.9T407 T412 A413T407-G409 PolarHBondContact O-N 2.76Å; G409-T412 PolarHBondContact O-N 2.89Å; G409-A413 WeakPolarHBondContact O-CB 3.41Å; G409-A413 PolarHBondContact O-N 2.88Å
410Q92.1Very high91.4Very high98 Ų9866 Ų6646%0.45835%0.353SS..Hα-helixtrans-69.7-39176.3-73.2165.3-43.800112.3L406 T407 T412 A413 L414L406-Q410 HydrophobicContact CB-CB 4.04Å; L406-Q410 HydrophobicContact CD2-CB 4.09Å; L406-Q410 HydrophobicContact CG-CB 4.47Å; T407-Q410 WeakPolarHBondContact O-CB 3.41Å; T407-Q410 PolarHBondContact O-N 3.39Å; T407-Q410 VanDerWaalsContact OG1-CG 3.31Å; T407-Q410 WeakPolarHBondContact OG1-CG 3.18Å; T407-Q410 PolarHBondContact OG1-N 3.11Å; T407-Q410 PolarHBondContact OG1-OE1 2.99Å; Q410-T412 VanDerWaalsContact C-N 3.32Å; Q410-T412 PolarHBondContact O-N 3.1Å; Q410-A413 PolarHBondContact O-N 2.95Å; Q410-L414 WeakPolarHBondContact O-CB 3.4Å; Q410-L414 PolarHBondContact O-N 2.75Å
411R93.1Very high91.5Very high23 Ų2370 Ų709%0.08737%0.371CS..Hα-helixtrans-62.6-41.2173.3-67.1179.4-173.1148.52.3111.6F403 V404 L406 T407 D408 L414 K415F403-R411 HydrophobicContact CE1-CG 4.25Å; F403-R411 HydrophobicContact CE2-CG 4.28Å; F403-R411 HydrophobicContact CZ-CB 4.5Å; F403-R411 HydrophobicContact CZ-CG 3.92Å; F403-R411 PolarHBondContact O-NE 3.14Å; V404-R411 PolarHBondContact O-NH2 3.28Å; L406-R411 HydrophobicContact CB-CG 3.85Å; L406-R411 HydrophobicContact CD1-CG 4.44Å; L406-R411 PolarHBondContact O-NE 3.32Å; L406-R411 PolarHBondContact O-NH2 3.47Å; T407-R411 PolarHBondContact O-N 3.2Å; D408-R411 PolarHBondContact O-N 2.9Å; D408-R411 IonicContact OD1-NH1 2.7Å; D408-R411 PolarHBondContact OD1-NH1 3.2Å; R411-L414 PolarHBondContact O-N 3.47Å; R411-K415 PolarHBondContact O-N 3Å
412T91.7Very high91.7Very high44 Ų4468.2 Ų68.227%0.2736%0.359SS..Hα-helixtrans-62.3-45.7174.4-58.80000110.8D408 G409 Q410 L414 K415 W416D408-T412 WeakPolarHBondContact O-CB 3.42Å; D408-T412 PolarHBondContact O-N 2.82Å; D408-T412 PolarHBondContact O-OG1 3.22Å; G409-T412 PolarHBondContact O-N 2.89Å; Q410-T412 VanDerWaalsContact C-N 3.32Å; Q410-T412 PolarHBondContact O-N 3.1Å; T412-L414 VanDerWaalsContact C-N 3.32Å; T412-L414 PolarHBondContact O-N 2.83Å; T412-K415 WeakPolarHBondContact O-CB 3.42Å; T412-K415 PolarHBondContact O-N 2.71Å; T412-W416 PolarHBondContact O-N 2.65Å
413A92Very high91.8Very high62 Ų6263.4 Ų63.451%0.51234%0.336SS..Hα-helixtrans-60.4-40.6175.200000112.4G409 Q410 W416 R417G409-A413 WeakPolarHBondContact O-CB 3.41Å; G409-A413 PolarHBondContact O-N 2.88Å; Q410-A413 PolarHBondContact O-N 2.95Å; A413-W416 PolarHBondContact O-N 2.89Å; A413-R417 PolarHBondContact O-N 3.36Å
414L92.6Very high92Very high22 Ų2264.8 Ų64.812%0.11534%0.342CS..Hα-helixtrans-64.9-39.1176.6-172.962.7000112.2L325 L396 F403 L406 Q410 R411 T412 R417 F418L325-L414 HydrophobicContact CD1-CB 4.33Å; L325-L414 HydrophobicContact CD1-CD2 4.13Å; L325-L414 HydrophobicContact CD1-CG 3.95Å; L396-L414 HydrophobicContact CB-CD2 4.32Å; L396-L414 HydrophobicContact CD2-CD2 4.41Å; L396-L414 HydrophobicContact CD2-CG 4.36Å; L396-L414 WeakPolarHBondContact O-CD1 3.35Å; F403-L414 HydrophobicContact CD2-CD2 3.98Å; F403-L414 HydrophobicContact CE2-CD2 4Å; L406-L414 HydrophobicContact CD1-CD2 4.24Å; Q410-L414 WeakPolarHBondContact O-CB 3.4Å; Q410-L414 PolarHBondContact O-N 2.75Å; R411-L414 PolarHBondContact O-N 3.47Å; T412-L414 VanDerWaalsContact C-N 3.32Å; T412-L414 PolarHBondContact O-N 2.83Å; L414-R417 WeakPolarHBondContact O-CB 3.26Å; L414-R417 PolarHBondContact O-N 3.22Å; L414-F418 HydrophobicContact CD1-CE2 4.48Å
415K92.9Very high92.3Very high24 Ų2461.2 Ų61.210%0.10432%0.321CS..Hα-helixtrans-58.8-51.2171.6168.7177.7177.5174.90111L323 L325 D326 R411 T412 R417 F418 L419L323-K415 VanDerWaalsContact O-CD 3.23Å; L323-K415 WeakPolarHBondContact O-CD 3.49Å; L323-K415 WeakPolarHBondContact O-CE 3.2Å; L323-K415 WeakPolarHBondContact O-CG 3.5Å; L325-K415 HydrophobicContact CB-CB 4.2Å; L325-K415 HydrophobicContact CD1-CB 4.29Å; L325-K415 HydrophobicContact CG-CB 4.43Å; D326-K415 HydrophobicContact CB-CD 4.38Å; D326-K415 WeakPolarHBondContact OD1-CD 3.38Å; D326-K415 IonicContact OD1-NZ 2.71Å; D326-K415 PolarHBondContact OD1-NZ 3.46Å; D326-K415 IonicContact OD2-NZ 2.68Å; D326-K415 PolarHBondContact OD2-NZ 2.72Å; R411-K415 PolarHBondContact O-N 3Å; T412-K415 WeakPolarHBondContact O-CB 3.42Å; T412-K415 PolarHBondContact O-N 2.71Å; K415-R417 PolarHBondContact O-N 2.7Å; K415-F418 PolarHBondContact O-N 2.99Å; K415-F418 VanDerWaalsContact O-N 3.12Å; K415-L419 HydrophobicContact CD-CD2 4.42Å; K415-L419 HydrophobicContact CG-CB 4.19Å; K415-L419 HydrophobicContact CG-CD2 4.09Å; K415-L419 VanDerWaalsContact O-CB 3.23Å; K415-L419 WeakPolarHBondContact O-CB 3.3Å; K415-L419 PolarHBondContact O-N 3.27Å
416W92.6Very high92.5Very high145 Ų14558.4 Ų58.455%0.54930%0.296SS..Hα-helixtrans-67-18.4-178.4-71.2116.7000114.3T412 A413 F418 L419T412-W416 PolarHBondContact O-N 2.65Å; A413-W416 PolarHBondContact O-N 2.89Å; W416-F418 PolarHBondContact O-N 2.84Å; W416-L419 HydrophobicContact CE3-CB 4.34Å; W416-L419 HydrophobicContact CE3-CD2 3.98Å; W416-L419 HydrophobicContact CH2-CD2 3.99Å; W416-L419 HydrophobicContact CZ3-CD2 3.7Å; W416-L419 HydrophobicContact CZ3-CG 4.44Å
417R92.1Very high92.6Very high136 Ų13656.5 Ų56.551%0.51329%0.286SS..THydrogen-bonded Turntrans-63.2-27.3171.7-178.2177.2164.8-173.9-5.3113A413 L414 K415A413-R417 PolarHBondContact O-N 3.36Å; L414-R417 WeakPolarHBondContact O-CB 3.26Å; L414-R417 PolarHBondContact O-N 3.22Å; K415-R417 PolarHBondContact O-N 2.7Å
418F92.6Very high92.5Very high6 Ų653.2 Ų53.23%0.02627%0.265CS..THydrogen-bonded Turntrans-118-32.9-177.8-64.6-81.7000113.1L323 T395 L396 L414 K415 W416 L420 E421 L448L323-F418 HydrophobicContact CD2-CB 3.9Å; T395-F418 HydrophobicContact CG2-CE1 4.34Å; T395-F418 WeakPolarHBondContact O-CZ 3.42Å; L396-F418 HydrophobicContact CD2-CD2 4.42Å; L396-F418 HydrophobicContact CD2-CE2 4.35Å; L414-F418 HydrophobicContact CD1-CE2 4.48Å; K415-F418 PolarHBondContact O-N 2.99Å; K415-F418 VanDerWaalsContact O-N 3.12Å; W416-F418 PolarHBondContact O-N 2.84Å; F418-L420 PolarHBondContact O-N 3.5Å; F418-E421 WeakPolarHBondContact O-CB 3.27Å; F418-E421 PolarHBondContact O-N 3.48Å; F418-E421 VanDerWaalsContact O-N 3.08Å; F418-L448 HydrophobicContact CD1-CD2 4.4Å; F418-L448 HydrophobicContact CE1-CG 4.45Å
419L93.4Very high92.4Very high18 Ų1848.1 Ų48.19%0.09424%0.237CC..BIsolated β-bridgetrans-64.2127.4-177.4-170.175000110.6V320 L323 K415 W416 E421V320-L419 CarbonylContact O-C 3.6Å; V320-L419 WeakPolarHBondContact O-CA 3.5Å; L323-L419 HydrophobicContact CB-CD1 4.13Å; K415-L419 HydrophobicContact CD-CD2 4.42Å; K415-L419 HydrophobicContact CG-CB 4.19Å; K415-L419 HydrophobicContact CG-CD2 4.09Å; K415-L419 VanDerWaalsContact O-CB 3.23Å; K415-L419 WeakPolarHBondContact O-CB 3.3Å; K415-L419 PolarHBondContact O-N 3.27Å; W416-L419 HydrophobicContact CE3-CB 4.34Å; W416-L419 HydrophobicContact CE3-CD2 3.98Å; W416-L419 HydrophobicContact CH2-CD2 3.99Å; W416-L419 HydrophobicContact CZ3-CD2 3.7Å; W416-L419 HydrophobicContact CZ3-CG 4.44Å; L419-E421 PolarHBondContact O-N 3.17Å; L419-E421 VanDerWaalsContact O-N 3.12Å
420L91.4Very high91.8Very high107 Ų10747.6 Ų47.656%0.5622%0.222SC*.THydrogen-bonded Turntrans59.410.6-174.2-55.7177.6000114.8F319 V320 F418F319-L420 WeakPolarHBondContact CD1-O 3.37Å; V320-L420 PolarHBondContact O-N 3.03Å; F418-L420 PolarHBondContact O-N 3.5Å
421E91.7Very high91.2Very high100 Ų10044 Ų4447%0.46721%0.207SC..SBendtrans-91.9145.9171-71.3-59.8152.100111F319 F418 L419 C423 L448F319-E421 WeakPolarHBondContact CA-O 3.42Å; F418-E421 WeakPolarHBondContact O-CB 3.27Å; F418-E421 PolarHBondContact O-N 3.48Å; F418-E421 VanDerWaalsContact O-N 3.08Å; L419-E421 PolarHBondContact O-N 3.17Å; L419-E421 VanDerWaalsContact O-N 3.12Å; E421-C423 PolarHBondContact O-N 3.3Å; E421-C423 PolarHBondContact O-SG 3.04Å; E421-L448 HydrophobicContact CB-CD2 3.73Å; E421-L448 HydrophobicContact CG-CD2 4.41Å
422R91.8Very high89.9Confident96 Ų9644.4 Ų44.436%0.36221%0.213SC..EExtended strand (participates in β ladder)trans-75.1119.1179.8-171.2174.4-74125.2-2.2109F319 A449F319-R422 HydrophobicContact CD1-CB 4.25Å; F319-R422 HydrophobicContact CE1-CB 3.97Å; R422-A449 HydrophobicContact CB-CB 4.47Å; R422-A449 HydrophobicContact CG-CB 4.01Å; R422-A449 WeakPolarHBondContact O-CB 3.49Å; R422-A449 PolarHBondContact O-N 3.42Å
423C94.5Very high88.3Confident0 Ų047.4 Ų47.40%024%0.242CC..EExtended strand (participates in β ladder)trans-114.5149.4-177.2-64.20000111.4Y317 G318 V320 E421 I425 S447Y317-C423 WeakPolarHBondContact CA-O 3.4Å; G318-C423 PolarHBondContact N-O 3.22Å; G318-C423 PolarHBondContact O-N 2.87Å; V320-C423 HydrophobicContact CG2-CB 4.4Å; E421-C423 PolarHBondContact O-N 3.3Å; E421-C423 PolarHBondContact O-SG 3.04Å; C423-I425 HydrophobicContact CB-CD1 3.95Å; C423-I425 HydrophobicContact CB-CG1 3.69Å; C423-S447 CarbonylContact C-O 3.46Å; C423-S447 WeakPolarHBondContact CA-O 3.5Å; C423-S447 WeakPolarHBondContact CB-O 3.44Å
424K94.8Very high86.2Confident29 Ų2952.2 Ų52.213%0.12625%0.247CC..EExtended strand (participates in β ladder)trans-92.6114.4164.2-176179.4-170.9171.60107.8L315 Y317 Y426 C446 S447 E453L315-K424 HydrophobicContact CD1-CD 4.43Å; L315-K424 HydrophobicContact CD1-CG 3.68Å; Y317-K424 HydrophobicContact CD1-CB 4.33Å; Y317-K424 HydrophobicContact CE1-CB 3.91Å; Y317-K424 HydrophobicContact CE1-CD 4.21Å; Y317-K424 HydrophobicContact CE1-CG 3.87Å; Y317-K424 VanDerWaalsContact OH-CE 3.29Å; Y317-K424 WeakPolarHBondContact OH-CE 3.13Å; K424-Y426 HydrophobicContact CD-CE2 4.29Å; K424-Y426 WeakPolarHBondContact CE-OH 3.26Å; K424-Y426 HydrophobicContact CG-CE2 4.24Å; K424-Y426 PolarHBondContact NZ-OH 2.86Å; K424-C446 WeakPolarHBondContact O-CA 3.25Å; K424-S447 PolarHBondContact N-O 3.35Å; K424-S447 PolarHBondContact O-N 2.85Å; K424-E453 WeakPolarHBondContact CD-OE2 3.44Å; K424-E453 VanDerWaalsContact NZ-CD 3.27Å; K424-E453 IonicContact NZ-OE1 3.79Å; K424-E453 PolarHBondContact NZ-OE1 2.97Å; K424-E453 IonicContact NZ-OE2 2.73Å; K424-E453 PolarHBondContact NZ-OE2 2.9Å
425I95.2Very high84.4Confident0 Ų054.1 Ų54.10%026%0.256CS..EExtended strand (participates in β ladder)trans-125.5119.4-167.7-47.7176.1000109.4A316 V320 V375 C423 L427 I443A316-I425 PolarHBondContact N-O 3.32Å; A316-I425 PolarHBondContact O-N 2.8Å; V320-I425 HydrophobicContact CG2-CD1 4.33Å; V375-I425 HydrophobicContact CB-CD1 4.24Å; V375-I425 HydrophobicContact CG1-CD1 3.55Å; V375-I425 HydrophobicContact CG2-CD1 3.65Å; C423-I425 HydrophobicContact CB-CD1 3.95Å; C423-I425 HydrophobicContact CB-CG1 3.69Å; I425-L427 HydrophobicContact CG2-CD1 4.46Å; I425-L427 HydrophobicContact CG2-CD2 3.82Å; I425-L427 HydrophobicContact CG2-CG 3.88Å; I425-I443 HydrophobicContact CG2-CD1 4.44Å; I425-I443 HydrophobicContact CG2-CG1 4.04Å; I425-I443 HydrophobicContact CG2-CG2 4.11Å
426Y94.8Very high82.8Confident32 Ų3263.8 Ų63.813%0.12530%0.298CS..EExtended strand (participates in β ladder)trans-91.3123.2173-63.4-94.8000108.7V289 I292 L315 K424 L444 A445V289-Y426 HydrophobicContact CG1-CD1 3.57Å; V289-Y426 HydrophobicContact CG1-CD2 3.6Å; V289-Y426 HydrophobicContact CG1-CE1 3.67Å; V289-Y426 HydrophobicContact CG1-CE2 3.69Å; V289-Y426 HydrophobicContact CG1-CG 3.51Å; V289-Y426 WeakPolarHBondContact O-CE1 3.46Å; I292-Y426 HydrophobicContact CB-CD1 3.92Å; I292-Y426 HydrophobicContact CB-CE1 4.28Å; I292-Y426 HydrophobicContact CD1-CD1 4.37Å; I292-Y426 HydrophobicContact CG2-CD1 4.11Å; L315-Y426 HydrophobicContact CD1-CD1 3.83Å; L315-Y426 HydrophobicContact CD1-CD2 4.21Å; L315-Y426 HydrophobicContact CD1-CE1 3.75Å; L315-Y426 HydrophobicContact CD1-CE2 4.14Å; L315-Y426 HydrophobicContact CD1-CG 4.09Å; L315-Y426 HydrophobicContact CD2-CE1 4.41Å; K424-Y426 HydrophobicContact CD-CE2 4.29Å; K424-Y426 WeakPolarHBondContact CE-OH 3.26Å; K424-Y426 HydrophobicContact CG-CE2 4.24Å; K424-Y426 PolarHBondContact NZ-OH 2.86Å; Y426-L444 PolarHBondContact O-N 2.84Å; Y426-A445 HydrophobicContact CD2-CB 3.75Å; Y426-A445 HydrophobicContact CE2-CB 4.49Å; Y426-A445 HydrophobicContact CG-CB 4.35Å; Y426-A445 PolarHBondContact N-O 2.92Å
427L92.4Very high81.4Confident0 Ų058.6 Ų58.60%028%0.284CS..EExtended strand (participates in β ladder)trans-124.3133.7-170.8-68.5168.1000110.4L301 F313 S314 A316 L382 I425 I429 T442 I443L301-L427 HydrophobicContact CD1-CD1 4.02Å; F313-L427 CarbonylContact C-O 3.59Å; F313-L427 WeakPolarHBondContact CA-O 3.33Å; S314-L427 PolarHBondContact N-O 3.15Å; S314-L427 PolarHBondContact O-N 3.05Å; S314-L427 PolarHBondContact OG-O 3.45Å; A316-L427 HydrophobicContact CB-CD1 3.87Å; L382-L427 HydrophobicContact CD2-CD1 3.96Å; I425-L427 HydrophobicContact CG2-CD1 4.46Å; I425-L427 HydrophobicContact CG2-CD2 3.82Å; I425-L427 HydrophobicContact CG2-CG 3.88Å; L427-I429 HydrophobicContact CB-CD1 4.07Å; L427-T442 WeakPolarHBondContact CA-O 3.16Å; L427-I443 HydrophobicContact CD2-CG1 3.66Å
428K89.6Confident80.3Confident16 Ų1653.6 Ų53.67%0.0728%0.275CS..EExtended strand (participates in β ladder)trans-97.1123.8158.5179.4-177.2-174167.90108.8E282 D286 F313 T442 L444E282-K428 VanDerWaalsContact O-CE 3.28Å; E282-K428 WeakPolarHBondContact O-CE 3.48Å; E282-K428 PolarHBondContact O-NZ 3Å; D286-K428 WeakPolarHBondContact OD1-CD 3.35Å; D286-K428 WeakPolarHBondContact OD1-CE 3.39Å; D286-K428 IonicContact OD1-NZ 3.87Å; D286-K428 PolarHBondContact OD1-NZ 2.99Å; D286-K428 IonicContact OD2-NZ 3.1Å; F313-K428 HydrophobicContact CD1-CB 4.06Å; F313-K428 HydrophobicContact CD1-CG 4.24Å; F313-K428 HydrophobicContact CE1-CB 3.93Å; F313-K428 HydrophobicContact CE1-CD 3.89Å; F313-K428 HydrophobicContact CE1-CG 3.78Å; F313-K428 HydrophobicContact CZ-CD 4.34Å; F313-K428 HydrophobicContact CZ-CG 4.36Å; K428-T442 PolarHBondContact N-O 2.89Å; K428-T442 PolarHBondContact O-N 2.85Å; K428-L444 HydrophobicContact CB-CD1 4.11Å; K428-L444 HydrophobicContact CB-CD2 4.19Å; K428-L444 HydrophobicContact CB-CG 4.17Å
429I87.6Confident79.6Confident0 Ų053.4 Ų53.40%027%0.274CS..EExtended strand (participates in β ladder)trans-107.1124.5178.5-55.8-56000108.6L301 A305 P311 F312 L382 L427 M439L301-I429 HydrophobicContact CD2-CG1 4.17Å; A305-I429 HydrophobicContact CB-CG2 4.06Å; P311-I429 CarbonylContact C-O 3.57Å; P311-I429 VanDerWaalsContact CA-O 3.26Å; P311-I429 WeakPolarHBondContact CA-O 3.16Å; F312-I429 HydrophobicContact CD1-CB 4.24Å; F312-I429 HydrophobicContact CD1-CG2 4.49Å; F312-I429 HydrophobicContact CD2-CB 4.2Å; F312-I429 HydrophobicContact CD2-CG1 4.42Å; F312-I429 HydrophobicContact CE1-CB 3.78Å; F312-I429 HydrophobicContact CE1-CG2 3.65Å; F312-I429 HydrophobicContact CE2-CB 3.74Å; F312-I429 HydrophobicContact CE2-CG1 3.77Å; F312-I429 HydrophobicContact CE2-CG2 4.26Å; F312-I429 HydrophobicContact CG-CB 4.44Å; F312-I429 HydrophobicContact CZ-CB 3.52Å; F312-I429 HydrophobicContact CZ-CG1 3.89Å; F312-I429 HydrophobicContact CZ-CG2 3.52Å; F312-I429 PolarHBondContact N-O 3.04Å; F312-I429 PolarHBondContact O-N 3.4Å; L382-I429 HydrophobicContact CD2-CD1 3.89Å; L427-I429 HydrophobicContact CB-CD1 4.07Å; I429-M439 HydrophobicContact CG2-CB 4.08Å; I429-M439 HydrophobicContact CG2-CG 4.4Å; I429-M439 HydrophobicContact CG2-SD 3.51Å; I429-M439 VanDerWaalsContact CG2-SD 3.51Å
430L79.8Confident78.9Confident41 Ų4157.5 Ų57.522%0.21529%0.289CS..EExtended strand (participates in β ladder)trans-108.5108.2171.7-179.768.7000108.8P311 C432 M439 R440P311-L430 HydrophobicContact CB-CD1 4.13Å; P311-L430 HydrophobicContact CG-CD1 3.72Å; L430-C432 PolarHBondContact O-N 2.88Å; L430-M439 CarbonylContact O-C 3.54Å; L430-M439 VanDerWaalsContact O-CA 3.29Å; L430-M439 WeakPolarHBondContact O-CA 3.39Å; L430-M439 WeakPolarHBondContact O-CB 3.19Å; L430-R440 HydrophobicContact CB-CB 4.38Å; L430-R440 PolarHBondContact N-O 2.9Å; L430-R440 PolarHBondContact O-N 2.85Å
431P78.3Confident78.7Confident24 Ų2452.5 Ų52.516%0.15626%0.262CS..EExtended strand (participates in β ladder)trans-52.8130.2170.3-27.236.5000111.4A305 N308 E310 F312A305-P431 HydrophobicContact CB-CG 4.3Å; A305-P431 WeakPolarHBondContact O-CB 3.41Å; N308-P431 WeakPolarHBondContact O-CB 3.36Å; N308-P431 WeakPolarHBondContact O-CG 3.25Å; E310-P431 WeakPolarHBondContact O-CD 3.24Å; E310-P431 WeakPolarHBondContact O-CG 3.34Å; F312-P431 HydrophobicContact CE1-CG 4.46Å
432C66.4Low78.6Confident30 Ų3050 Ų5020%0.20325%0.254CS..  trans-149.296.4-176.8-174.20000111L430 R434 M435 G438L430-C432 PolarHBondContact O-N 2.88Å; C432-R434 PolarHBondContact O-N 3Å; C432-M435 HydrophobicContact CB-CG 4.31Å; C432-M435 HydrophobicContact CB-SD 4.41Å; C432-M435 PolarHBondContact O-N 3.45Å; C432-M435 VanDerWaalsContact O-N 3.12Å; C432-G438 CarbonylContact C-O 3.57Å; C432-G438 VanDerWaalsContact C-O 3.31Å; C432-G438 PolarHBondContact N-O 2.88Å; C432-G438 CarbonylContact O-C 3.51Å; C432-G438 VanDerWaalsContact O-CA 3.31Å; C432-G438 WeakPolarHBondContact O-CA 3.33Å
433A56.8Low78.6Confident108 Ų10845.6 Ų45.689%0.89324%0.238SC*.THydrogen-bonded Turntrans-59.9-15.7-179.200000114.5
434R49.8Very low78.4Confident162 Ų16246.6 Ų46.661%0.61124%0.243SC*.THydrogen-bonded Turntrans-84.8-16.2180-57.8-172.5-167.2-177.28.5113.8C432C432-R434 PolarHBondContact O-N 3Å
435M54.7Low78.3Confident63 Ų6346.3 Ų46.331%0.3125%0.246SC..SBendtrans-90.2147.4179.8-67.6-17468.500110.8C432 S437 G438 R440C432-M435 HydrophobicContact CB-CG 4.31Å; C432-M435 HydrophobicContact CB-SD 4.41Å; C432-M435 PolarHBondContact O-N 3.45Å; C432-M435 VanDerWaalsContact O-N 3.12Å; M435-S437 PolarHBondContact O-N 2.83Å; M435-S437 VanDerWaalsContact O-N 3.15Å; M435-G438 WeakPolarHBondContact O-CA 3.26Å; M435-G438 PolarHBondContact O-N 2.81Å; M435-R440 HydrophobicContact SD-CB 3.87Å; M435-R440 HydrophobicContact SD-CG 4.46Å
436K58.9Low78.2Confident226 Ų22647 Ų4798%0.98325%0.25SS*.THydrogen-bonded Turntrans-55.7-32174.6-71.9-174.2178.4-178.90112.8G438K436-G438 VanDerWaalsContact C-N 3.31Å
437S62.5Low78.2Confident37 Ų3748 Ų4826%0.25926%0.263SS..THydrogen-bonded Turntrans-76.3-13.9175.148.30000114M435 M439M435-S437 PolarHBondContact O-N 2.83Å; M435-S437 VanDerWaalsContact O-N 3.15Å; S437-M439 PolarHBondContact O-N 3.37Å; S437-M439 PolarHBondContact OG-O 2.97Å
438G68.6Low78.2Confident31 Ų3151.8 Ų51.832%0.3228%0.282SS..SBendtrans71.42.7-172.100000114.6C432 M435 K436C432-G438 CarbonylContact C-O 3.57Å; C432-G438 VanDerWaalsContact C-O 3.31Å; C432-G438 PolarHBondContact N-O 2.88Å; C432-G438 CarbonylContact O-C 3.51Å; C432-G438 VanDerWaalsContact O-CA 3.31Å; C432-G438 WeakPolarHBondContact O-CA 3.33Å; M435-G438 WeakPolarHBondContact O-CA 3.26Å; M435-G438 PolarHBondContact O-N 2.81Å; K436-G438 VanDerWaalsContact C-N 3.31Å
439M78Confident78.3Confident2 Ų251.8 Ų51.81%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-162.4161.7-177.458.8169.9161.800112.3K302 A305 L382 I429 L430 S437K302-M439 HydrophobicContact CB-CE 4.08Å; K302-M439 HydrophobicContact CD-CE 4.38Å; K302-M439 HydrophobicContact CG-CE 3.22Å; A305-M439 HydrophobicContact CB-CB 4.01Å; A305-M439 HydrophobicContact CB-CG 4.36Å; A305-M439 HydrophobicContact CB-SD 3.81Å; L382-M439 HydrophobicContact CD1-CE 3.22Å; L382-M439 HydrophobicContact CD1-CG 4.35Å; L382-M439 HydrophobicContact CD1-SD 3.82Å; I429-M439 HydrophobicContact CG2-CB 4.08Å; I429-M439 HydrophobicContact CG2-CG 4.4Å; I429-M439 HydrophobicContact CG2-SD 3.51Å; I429-M439 VanDerWaalsContact CG2-SD 3.51Å; L430-M439 CarbonylContact O-C 3.54Å; L430-M439 VanDerWaalsContact O-CA 3.29Å; L430-M439 WeakPolarHBondContact O-CA 3.39Å; L430-M439 WeakPolarHBondContact O-CB 3.19Å; S437-M439 PolarHBondContact O-N 3.37Å; S437-M439 PolarHBondContact OG-O 2.97Å
440R80.2Confident78.3Confident104 Ų10456.2 Ų56.239%0.39231%0.309SS..EExtended strand (participates in β ladder)trans-115.4128.4172.2-176.9-175.7-66.2167.1-2.7109.4E282 L430 M435E282-R440 IonicContact OE2-NH1 3.36Å; L430-R440 HydrophobicContact CB-CB 4.38Å; L430-R440 PolarHBondContact N-O 2.9Å; L430-R440 PolarHBondContact O-N 2.85Å; M435-R440 HydrophobicContact SD-CB 3.87Å; M435-R440 HydrophobicContact SD-CG 4.46Å
441G86.1Confident78.4Confident1 Ų158.5 Ų58.51%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-99.1138172.800000111.6C385 S386C385-G441 CarbonylContact C-O 3.31Å; C385-G441 WeakPolarHBondContact CA-O 3.17Å; S386-G441 PolarHBondContact N-O 3.47Å
442T89.5Confident78.4Confident47 Ų4758.9 Ų58.929%0.28833%0.334SS..EExtended strand (participates in β ladder)trans-121.6128.6168.5-54.70000108.5L427 K428L427-T442 WeakPolarHBondContact CA-O 3.16Å; K428-T442 PolarHBondContact N-O 2.89Å; K428-T442 PolarHBondContact O-N 2.85Å
443I92.4Very high79Confident5 Ų560.8 Ų60.83%0.02634%0.34CS..EExtended strand (participates in β ladder)trans-83.1122.6176.3-64.8166.8000107.9V373 C385 S386 L387 V391 I425 L427 C446V373-I443 HydrophobicContact CB-CD1 3.95Å; V373-I443 HydrophobicContact CG1-CD1 4.18Å; V373-I443 HydrophobicContact CG2-CD1 4.31Å; C385-I443 HydrophobicContact CB-CD1 3.95Å; C385-I443 HydrophobicContact CB-CG1 4.02Å; S386-I443 PolarHBondContact O-N 3.05Å; L387-I443 HydrophobicContact CB-CD1 4.21Å; L387-I443 HydrophobicContact CD1-CB 4.08Å; L387-I443 HydrophobicContact CD1-CG2 3.87Å; V391-I443 HydrophobicContact CG1-CG2 4.48Å; I425-I443 HydrophobicContact CG2-CD1 4.44Å; I425-I443 HydrophobicContact CG2-CG1 4.04Å; I425-I443 HydrophobicContact CG2-CG2 4.11Å; L427-I443 HydrophobicContact CD2-CG1 3.66Å; I443-C446 HydrophobicContact CG2-CB 3.87Å
444L90Very high79.8Confident21 Ų2157.4 Ų57.411%0.1131%0.305CS..EExtended strand (participates in β ladder)trans-94-29.9178-58.7-178.9000112.2D286 V289 I292 F313 V391 Y426 K428D286-L444 VanDerWaalsContact OD2-CD2 3.26Å; D286-L444 WeakPolarHBondContact OD2-CD2 3.21Å; V289-L444 HydrophobicContact CG2-CB 4.45Å; I292-L444 HydrophobicContact CD1-CD1 3.91Å; F313-L444 HydrophobicContact CD1-CD1 3.66Å; F313-L444 HydrophobicContact CE1-CD1 3.86Å; V391-L444 VanDerWaalsContact CG1-C 3.45Å; V391-L444 WeakPolarHBondContact CG1-O 3.4Å; Y426-L444 PolarHBondContact O-N 2.84Å; K428-L444 HydrophobicContact CB-CD1 4.11Å; K428-L444 HydrophobicContact CB-CD2 4.19Å; K428-L444 HydrophobicContact CB-CG 4.17Å
445A92.5Very high81.1Confident23 Ų2354.6 Ų54.619%0.1930%0.302CS..EExtended strand (participates in β ladder)trans-161.7144.7171.700000109.3V289 Y426V289-A445 HydrophobicContact CG1-CB 3.95Å; V289-A445 HydrophobicContact CG2-CB 4.35Å; Y426-A445 HydrophobicContact CD2-CB 3.75Å; Y426-A445 HydrophobicContact CE2-CB 4.49Å; Y426-A445 HydrophobicContact CG-CB 4.35Å; Y426-A445 PolarHBondContact N-O 2.92Å
446C94.3Very high82Confident13 Ų1358.7 Ų58.79%0.08832%0.318CS..EExtended strand (participates in β ladder)trans-140.5133.9176.2178.30000109.9T395 K424 I443T395-C446 HydrophobicContact CG2-CB 3.66Å; K424-C446 WeakPolarHBondContact O-CA 3.25Å; I443-C446 HydrophobicContact CG2-CB 3.87Å
447S93.7Very high82.8Confident55 Ų5549.8 Ų49.839%0.38528%0.281SS..EExtended strand (participates in β ladder)trans-147.2160.1177.755.40000109.9C423 K424 A449C423-S447 CarbonylContact C-O 3.46Å; C423-S447 WeakPolarHBondContact CA-O 3.5Å; C423-S447 WeakPolarHBondContact CB-O 3.44Å; K424-S447 PolarHBondContact N-O 3.35Å; K424-S447 PolarHBondContact O-N 2.85Å; S447-A449 PolarHBondContact O-N 3.41Å
448L93.3Very high83.4Confident79 Ų7951.6 Ų51.641%0.41429%0.286SS..EExtended strand (participates in β ladder)trans-60.7134.9170.4-69.5174.8000109.5F418 E421 D450F418-L448 HydrophobicContact CD1-CD2 4.4Å; F418-L448 HydrophobicContact CE1-CG 4.45Å; E421-L448 HydrophobicContact CB-CD2 3.73Å; E421-L448 HydrophobicContact CG-CD2 4.41Å; L448-D450 PolarHBondContact O-N 2.66Å
449A90.4Very high83.6Confident16 Ų1658.1 Ų58.113%0.13230%0.302CS..PPolyproline II helixtrans-70.4129.2179.800000109.8Y317 R422 S447 P451Y317-A449 HydrophobicContact CD1-CB 3.99Å; Y317-A449 HydrophobicContact CE1-CB 4.22Å; R422-A449 HydrophobicContact CB-CB 4.47Å; R422-A449 HydrophobicContact CG-CB 4.01Å; R422-A449 WeakPolarHBondContact O-CB 3.49Å; R422-A449 PolarHBondContact O-N 3.42Å; S447-A449 PolarHBondContact O-N 3.41Å; A449-P451 WeakPolarHBondContact O-CD 3.36Å
450D88.4Confident83.3Confident92 Ų9262.6 Ų62.649%0.49233%0.326SS..PPolyproline II helixtrans-65.6122.6169.3170.532.2000109.8L448 G452 E453 Y454L448-D450 PolarHBondContact O-N 2.66Å; D450-G452 PolarHBondContact O-N 2.94Å; D450-G452 PolarHBondContact OD1-N 2.88Å; D450-G452 VanDerWaalsContact OD1-N 3.08Å; D450-E453 HydrophobicContact CB-CB 4.12Å; D450-E453 PolarHBondContact O-N 2.74Å; D450-E453 PolarHBondContact OD2-N 2.73Å; D450-Y454 PolarHBondContact O-N 3.11Å; D450-Y454 VanDerWaalsContact O-N 3.09Å
451P80.9Confident82.8Confident89 Ų8961.6 Ų61.658%0.57833%0.325SS*.Hα-helixtrans-55.8-33.8176.1-25.734.8000113.1A449 N455A449-P451 WeakPolarHBondContact O-CD 3.36Å; P451-N455 VanDerWaalsContact O-CB 3.28Å; P451-N455 WeakPolarHBondContact O-CB 3.47Å; P451-N455 PolarHBondContact O-N 3.04Å; P451-N455 PolarHBondContact O-ND2 3.45Å; P451-N455 VanDerWaalsContact O-ND2 3.11Å
452G78.4Confident82Confident32 Ų3265.3 Ų65.333%0.3335%0.347SS..Hα-helixtrans-66.4-50.2179.600000112.9D450 K456D450-G452 PolarHBondContact O-N 2.94Å; D450-G452 PolarHBondContact OD1-N 2.88Å; D450-G452 VanDerWaalsContact OD1-N 3.08Å; G452-K456 WeakPolarHBondContact O-CG 3.24Å; G452-K456 PolarHBondContact O-N 2.64Å
453E79.3Confident80.8Confident70 Ų7064.9 Ų64.933%0.32735%0.346SS..Hα-helixtrans-59.4-46.6175.4-169.7-176.6-152.600112Y317 K424 D450 K456 L457Y317-E453 PolarHBondContact OH-OE1 2.48Å; Y317-E453 PolarHBondContact OH-OE2 3Å; K424-E453 WeakPolarHBondContact CD-OE2 3.44Å; K424-E453 VanDerWaalsContact NZ-CD 3.27Å; K424-E453 IonicContact NZ-OE1 3.79Å; K424-E453 PolarHBondContact NZ-OE1 2.97Å; K424-E453 IonicContact NZ-OE2 2.73Å; K424-E453 PolarHBondContact NZ-OE2 2.9Å; D450-E453 HydrophobicContact CB-CB 4.12Å; D450-E453 PolarHBondContact O-N 2.74Å; D450-E453 PolarHBondContact OD2-N 2.73Å; E453-K456 PolarHBondContact O-N 3.15Å; E453-L457 PolarHBondContact O-N 3.41Å
454Y74.8Confident79.3Confident37 Ų3771 Ų7115%0.14537%0.374CS..Hα-helixtrans-64.3-43.5-179.5-178.2-100.1000112.4Y317 D450 K456 L457 M458Y317-Y454 AromaticContact CD1-CD2 3.94Å; Y317-Y454 HydrophobicContact CD1-CD2 3.94Å; Y317-Y454 HydrophobicContact CG-CD2 4.07Å; Y317-Y454 HydrophobicContact CG-CE2 4.48Å; D450-Y454 PolarHBondContact O-N 3.11Å; D450-Y454 VanDerWaalsContact O-N 3.09Å; Y454-K456 VanDerWaalsContact C-N 3.31Å; Y454-K456 PolarHBondContact O-N 2.92Å; Y454-L457 WeakPolarHBondContact O-CB 3.36Å; Y454-L457 PolarHBondContact O-N 3.1Å; Y454-M458 HydrophobicContact CD1-CG 4.05Å; Y454-M458 HydrophobicContact CE1-CE 4.27Å; Y454-M458 HydrophobicContact CE1-CG 3.65Å; Y454-M458 HydrophobicContact CE1-SD 4.4Å; Y454-M458 HydrophobicContact CE2-CG 4.23Å; Y454-M458 HydrophobicContact CE2-SD 4.25Å; Y454-M458 WeakPolarHBondContact O-CG 3.33Å; Y454-M458 PolarHBondContact O-N 3.3Å; Y454-M458 WeakPolarHBondContact OH-CE 3.4Å
455N75.8Confident77.8Confident103 Ų10377.9 Ų77.955%0.55140%0.404SS*.Hα-helixtrans-62.5-39178.2-75.8-23.6000111.9P451 M458 Y459P451-N455 VanDerWaalsContact O-CB 3.28Å; P451-N455 WeakPolarHBondContact O-CB 3.47Å; P451-N455 PolarHBondContact O-N 3.04Å; P451-N455 PolarHBondContact O-ND2 3.45Å; P451-N455 VanDerWaalsContact O-ND2 3.11Å; N455-M458 PolarHBondContact O-N 3.29Å; N455-Y459 VanDerWaalsContact O-CB 3.3Å; N455-Y459 WeakPolarHBondContact O-CB 3.29Å; N455-Y459 PolarHBondContact O-N 3.29Å
456K74Confident76Confident149 Ų14983.1 Ų83.165%0.64842%0.422SS*.Hα-helixtrans-62.9-43.5173.6-73.2173.7-178.3174.80111.8G452 E453 Y454 M458 Y459 N460G452-K456 WeakPolarHBondContact O-CG 3.24Å; G452-K456 PolarHBondContact O-N 2.64Å; E453-K456 PolarHBondContact O-N 3.15Å; Y454-K456 VanDerWaalsContact C-N 3.31Å; Y454-K456 PolarHBondContact O-N 2.92Å; K456-M458 PolarHBondContact O-N 2.96Å; K456-Y459 PolarHBondContact O-N 3.2Å; K456-N460 WeakPolarHBondContact O-CB 3.46Å; K456-N460 VanDerWaalsContact O-CG 3.23Å; K456-N460 PolarHBondContact O-N 2.85Å; K456-N460 PolarHBondContact O-ND2 2.94Å
457L76.4Confident74.2Confident40 Ų4088 Ų8821%0.20945%0.448CS..Hα-helixtrans-59.2-46.8175.8-177.276.7000111.5V295 Y317 E453 Y454 N460 K461V295-L457 HydrophobicContact CG1-CD2 4.14Å; V295-L457 HydrophobicContact CG2-CD1 4.29Å; Y317-L457 HydrophobicContact CD2-CD2 3.82Å; Y317-L457 HydrophobicContact CE2-CD2 3.94Å; E453-L457 PolarHBondContact O-N 3.41Å; Y454-L457 WeakPolarHBondContact O-CB 3.36Å; Y454-L457 PolarHBondContact O-N 3.1Å; L457-N460 PolarHBondContact O-N 3.37Å; L457-K461 PolarHBondContact O-N 3.17Å
458M73.7Confident72.3Confident74 Ų7491.2 Ų91.237%0.36546%0.46SS..Hα-helixtrans-66.6-41.7179-64.4-58.3-104.500111.6Y454 N455 K456 N460 K461 V462Y454-M458 HydrophobicContact CD1-CG 4.05Å; Y454-M458 HydrophobicContact CE1-CE 4.27Å; Y454-M458 HydrophobicContact CE1-CG 3.65Å; Y454-M458 HydrophobicContact CE1-SD 4.4Å; Y454-M458 HydrophobicContact CE2-CG 4.23Å; Y454-M458 HydrophobicContact CE2-SD 4.25Å; Y454-M458 WeakPolarHBondContact O-CG 3.33Å; Y454-M458 PolarHBondContact O-N 3.3Å; Y454-M458 WeakPolarHBondContact OH-CE 3.4Å; N455-M458 PolarHBondContact O-N 3.29Å; K456-M458 PolarHBondContact O-N 2.96Å; M458-N460 PolarHBondContact O-N 3.14Å; M458-K461 PolarHBondContact O-N 3.39Å; M458-V462 VanDerWaalsContact O-CG2 3.31Å; M458-V462 WeakPolarHBondContact O-CG2 3.28Å; M458-V462 PolarHBondContact O-N 3.01Å
459Y72.8Confident70.3Confident169 Ų16995.9 Ų95.966%0.66348%0.477SS*.Hα-helixtrans-60.2-44175.7-169.5-88.9000112N455 K456 V462 S463N455-Y459 VanDerWaalsContact O-CB 3.3Å; N455-Y459 WeakPolarHBondContact O-CB 3.29Å; N455-Y459 PolarHBondContact O-N 3.29Å; K456-Y459 PolarHBondContact O-N 3.2Å; Y459-V462 PolarHBondContact O-N 3.46Å; Y459-S463 WeakPolarHBondContact CE1-OG 3.34Å; Y459-S463 WeakPolarHBondContact O-CB 3.19Å; Y459-S463 PolarHBondContact O-N 3.29Å; Y459-S463 PolarHBondContact O-OG 2.69Å
460N72.3Confident68.3Low96 Ų96105 Ų10551%0.51351%0.51SS..Hα-helixtrans-62.9-42.5176.3-72.1-16.7000111.9K456 L457 M458 S463 Q464K456-N460 WeakPolarHBondContact O-CB 3.46Å; K456-N460 VanDerWaalsContact O-CG 3.23Å; K456-N460 PolarHBondContact O-N 2.85Å; K456-N460 PolarHBondContact O-ND2 2.94Å; L457-N460 PolarHBondContact O-N 3.37Å; M458-N460 PolarHBondContact O-N 3.14Å; N460-S463 PolarHBondContact O-N 3.03Å; N460-Q464 WeakPolarHBondContact O-CG 3.38Å; N460-Q464 PolarHBondContact O-N 2.85Å
461K68.8Low66.1Low83 Ų83113.6 Ų113.636%0.36154%0.535SS..Hα-helixtrans-63.6-42.9175.4-77.9-173.1175-176.60112.5L457 M458 S463 Q464 F465L457-K461 PolarHBondContact O-N 3.17Å; M458-K461 PolarHBondContact O-N 3.39Å; K461-S463 VanDerWaalsContact C-N 3.33Å; K461-Q464 PolarHBondContact O-N 2.65Å; K461-F465 PolarHBondContact O-N 3.12Å
462V70.8Confident65.4Low79 Ų79114.9 Ų114.948%0.47953%0.533SS..Hα-helixtrans-64.7-39176.41720000111.1M458 Y459 F465 K466M458-V462 VanDerWaalsContact O-CG2 3.31Å; M458-V462 WeakPolarHBondContact O-CG2 3.28Å; M458-V462 PolarHBondContact O-N 3.01Å; Y459-V462 PolarHBondContact O-N 3.46Å; V462-F465 PolarHBondContact O-N 3.42Å; V462-K466 WeakPolarHBondContact O-CG 3.37Å; V462-K466 PolarHBondContact O-N 2.71Å
463S63.2Low64.7Low37 Ų37119.2 Ų119.226%0.25954%0.544SS..Hα-helixtrans-68.4-40.3179.3-57.40000112.1Y459 N460 K461 K466 N467Y459-S463 WeakPolarHBondContact CE1-OG 3.34Å; Y459-S463 WeakPolarHBondContact O-CB 3.19Å; Y459-S463 PolarHBondContact O-N 3.29Å; Y459-S463 PolarHBondContact O-OG 2.69Å; N460-S463 PolarHBondContact O-N 3.03Å; K461-S463 VanDerWaalsContact C-N 3.33Å; S463-K466 PolarHBondContact O-N 3.47Å; S463-N467 PolarHBondContact O-N 2.81Å
464Q61.2Low63.9Low133 Ų133121.9 Ų121.962%0.62156%0.556SS**Hα-helixtrans-62.8-40.8171-74.9179.3-6.500112.1N460 K461 N467 N468N460-Q464 WeakPolarHBondContact O-CG 3.38Å; N460-Q464 PolarHBondContact O-N 2.85Å; K461-Q464 PolarHBondContact O-N 2.65Å; Q464-N467 PolarHBondContact O-N 3.4Å; Q464-N468 PolarHBondContact O-N 3.34Å
465F58.5Low63.3Low167 Ų167126.9 Ų126.973%0.73258%0.58SS**Hα-helixtrans-64.2-39.4176.1-124-84000112.6K461 V462 K469K461-F465 PolarHBondContact O-N 3.12Å; V462-F465 PolarHBondContact O-N 3.42Å; F465-K469 PolarHBondContact O-N 3.32Å
466K55.9Low62.5Low132 Ų132128.4 Ų128.457%0.57458%0.582SS**Hα-helixtrans-64.2-46.6174.1-75.6-177.5178.3-177.20111V462 S463 N468 K469 Y470V462-K466 WeakPolarHBondContact O-CG 3.37Å; V462-K466 PolarHBondContact O-N 2.71Å; S463-K466 PolarHBondContact O-N 3.47Å; K466-N468 VanDerWaalsContact C-N 3.33Å; K466-N468 PolarHBondContact O-N 3.48Å; K466-K469 PolarHBondContact O-N 2.93Å; K466-K469 VanDerWaalsContact O-N 3.09Å; K466-Y470 WeakPolarHBondContact O-CD2 3.34Å
467N55.5Low61.7Low116 Ų116127.1 Ų127.162%0.6258%0.578SS**Hα-helixtrans-64.4-33.1-179.9-75.6-10.6000113.6S463 Q464 K469S463-N467 PolarHBondContact O-N 2.81Å; Q464-N467 PolarHBondContact O-N 3.4Å; N467-K469 VanDerWaalsContact C-N 3.3Å; N467-K469 PolarHBondContact O-N 3.01Å
468N54.6Low60.7Low122 Ų122133.3 Ų133.365%0.65260%0.604SS**Hα-helixtrans-77-11.1174.8-87.9-4000114.3Q464 K466Q464-N468 PolarHBondContact O-N 3.34Å; K466-N468 VanDerWaalsContact C-N 3.33Å; K466-N468 PolarHBondContact O-N 3.48Å
469K49.8Very low59.7Low177 Ų177137.8 Ų137.877%0.7762%0.622SS**Hα-helixtrans-91.9-10.9177-148.4-179.9-175.9-178.20113F465 K466 N467F465-K469 PolarHBondContact O-N 3.32Å; K466-K469 PolarHBondContact O-N 2.93Å; K466-K469 VanDerWaalsContact O-N 3.09Å; N467-K469 VanDerWaalsContact C-N 3.3Å; N467-K469 PolarHBondContact O-N 3.01Å
470Y48.1Very low58.6Low208 Ų208135.3 Ų135.382%0.81662%0.619SS**  trans-112.911.1177.6-67.8-74.5000113.1K466K466-Y470 WeakPolarHBondContact O-CD2 3.34Å
471R44Very low57.3Low273 Ų273138.8 Ų138.8100%1.0363%0.629SS**  trans-106.40156.1-83.9-175.4171.3-177.3-2.6107.6

Retrieved 471 of 471 residues in 1104.1 ms (Link to these results)

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