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Isoform 12 of Protocadherin-15 AlphaSync

Canonical isoform description: Calcium-dependent cell-adhesion protein. Required for inner ear neuroepithelial cell elaboration and cochlear function. Probably involved in the maintenance of normal retinal function.

AlphaFold DB , UniProt , Accession Q99PJ1-12 (canonical: Q99PJ1), Species MOUSE (Mus musculus, Mouse), Gene Pcdh15, Length 1,129 aa.

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Download Structure   AlphaSync Parameters   PDB   PAE   Table  
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
1M51.5Low84.9Confident181 Ų18159.8 Ų59.889%0.89233%0.325SS*.  0159.50-78155.5161.900108.3
2P67.7Low85.2Confident90 Ų9056.3 Ų56.358%0.58431%0.31SS*.  trans-56.9145.2158.128.3-34.6000109.3V104P2-V104 HydrophobicContact CB-CG1 4.21Å; P2-V104 HydrophobicContact CG-CG1 4.19Å; P2-V104 HydrophobicContact CG-CG2 4.2Å
3S85.2Confident85.5Confident69 Ų6959.5 Ų59.548%0.48334%0.335SS..EExtended strand (participates in β ladder)trans-146.5130.5176.957.10000110.5V105S3-V105 CarbonylContact C-O 3.53Å; S3-V105 WeakPolarHBondContact CA-O 3.37Å
4Y89.7Confident85.8Confident57 Ų5761.4 Ų61.422%0.22435%0.349CS..EExtended strand (participates in β ladder)trans-82.1132.8168.6-69.7-75.6000109.4L28 R29 I30 V31 V104 V105 V106 N107Y4-L28 HydrophobicContact CD1-CD1 4.01Å; Y4-R29 WeakPolarHBondContact CE1-O 3.41Å; Y4-I30 HydrophobicContact CD1-CG1 4.41Å; Y4-I30 HydrophobicContact CD2-CG1 4.37Å; Y4-I30 HydrophobicContact CE1-CG1 4.31Å; Y4-I30 HydrophobicContact CE2-CG1 4.27Å; Y4-I30 HydrophobicContact CE2-CG2 4.19Å; Y4-I30 HydrophobicContact CG-CG1 4.44Å; Y4-V31 PolarHBondContact OH-N 3.29Å; Y4-V31 PolarHBondContact OH-O 2.94Å; Y4-V104 HydrophobicContact CD2-CG1 3.63Å; Y4-V104 HydrophobicContact CE2-CB 4.47Å; Y4-V104 HydrophobicContact CE2-CG1 3.73Å; Y4-V105 PolarHBondContact N-O 3.02Å; Y4-V106 HydrophobicContact CD2-CG2 4.34Å; Y4-V106 WeakPolarHBondContact O-CA 3.29Å; Y4-N107 PolarHBondContact O-N 2.68Å
5Q91.7Very high86.1Confident84 Ų8460.5 Ų60.539%0.39336%0.358SS..EExtended strand (participates in β ladder)trans-109.9120.7174.2-151.175.312.600108.5Y7 N107Q5-Y7 HydrophobicContact CG-CE2 4.42Å; Q5-N107 WeakPolarHBondContact CA-O 3.23Å; Q5-N107 PolarHBondContact OE1-ND2 3.04Å
6G91.4Very high86.3Confident0 Ų058.3 Ų58.30%035%0.348CS..EExtended strand (participates in β ladder)trans-116.3152.5-175.500000112.9I18 S19 N107 I108 R109G6-I18 VanDerWaalsContact CA-CG2 3.45Å; G6-S19 CarbonylContact C-O 3.55Å; G6-S19 VanDerWaalsContact CA-O 3.29Å; G6-S19 WeakPolarHBondContact CA-O 3.41Å; G6-N107 PolarHBondContact N-O 3.37Å; G6-I108 CarbonylContact O-C 3.49Å; G6-I108 WeakPolarHBondContact O-CA 3.34Å; G6-R109 PolarHBondContact O-N 2.94Å
7Y93.5Very high86.6Confident39 Ų3958.6 Ų58.615%0.15335%0.351CS..EExtended strand (participates in β ladder)trans-136.2140.1176.1-53.7-83.8000110.1Q5 S19 S21 L22 R109Q5-Y7 HydrophobicContact CG-CE2 4.42Å; Y7-S19 PolarHBondContact N-O 3Å; Y7-S19 PolarHBondContact O-N 3.29Å; Y7-S21 VanDerWaalsContact CD2-C 3.42Å; Y7-L22 HydrophobicContact CD1-CD1 4.15Å; Y7-L22 HydrophobicContact CD1-CG 3.84Å; Y7-L22 HydrophobicContact CD2-CD1 4.48Å; Y7-L22 HydrophobicContact CE1-CD1 3.53Å; Y7-L22 HydrophobicContact CE1-CG 3.68Å; Y7-L22 HydrophobicContact CE2-CD1 3.91Å; Y7-L22 HydrophobicContact CG-CG 4.34Å; Y7-R109 WeakPolarHBondContact CA-O 3.35Å; Y7-R109 HydrophobicContact CD1-CB 4.08Å; Y7-R109 HydrophobicContact CE1-CB 4.25Å
8I93.3Very high86.9Confident5 Ų555.3 Ų55.33%0.02633%0.331CS..EExtended strand (participates in β ladder)trans-152.1138.8172.2-172.6144.6000109.6A12 A16 I18 L76 V80 I108 R109 M111I8-A12 HydrophobicContact CD1-CB 3.83Å; I8-A12 HydrophobicContact CG1-CB 3.57Å; I8-A16 HydrophobicContact CD1-CB 3.97Å; I8-I18 HydrophobicContact CB-CD1 3.71Å; I8-I18 HydrophobicContact CD1-CD1 3.71Å; I8-I18 HydrophobicContact CG1-CD1 4.31Å; I8-I18 HydrophobicContact CG2-CD1 3.65Å; I8-L76 HydrophobicContact CD1-CD1 3.83Å; I8-L76 HydrophobicContact CG2-CD1 4.5Å; I8-V80 HydrophobicContact CG2-CG2 4.42Å; I8-I108 HydrophobicContact CG2-CG2 3.92Å; I8-R109 PolarHBondContact N-O 3.34Å; I8-M111 PolarHBondContact O-N 3.42Å
9L90.8Very high87.2Confident49 Ų4952.6 Ų52.626%0.25732%0.315SS..EExtended strand (participates in β ladder)trans-67.7145.4169.6-120.377.3000109.7A12 L24 M111 A113L9-A12 WeakPolarHBondContact O-CB 3.48Å; L9-A12 PolarHBondContact O-N 3.4Å; L9-A12 VanDerWaalsContact O-N 3.14Å; L9-L24 HydrophobicContact CB-CD1 4.21Å; L9-L24 HydrophobicContact CD1-CD1 3.73Å; L9-M111 WeakPolarHBondContact CA-O 3.34Å; L9-M111 HydrophobicContact CD1-CB 3.7Å; L9-M111 HydrophobicContact CD1-CE 3.9Å; L9-M111 HydrophobicContact CD1-SD 4.49Å; L9-M111 HydrophobicContact CG-CB 4.43Å; L9-A113 HydrophobicContact CD2-CB 3.97Å; L9-A113 HydrophobicContact CG-CB 4.26Å
10E91.4Very high87.4Confident9 Ų953.8 Ų53.84%0.04232%0.317CS..THydrogen-bonded Turntrans-66.9-38.3176.564.1-154.9113.700113.8A12 V80 R82 V110 M111 D112 A113E10-A12 PolarHBondContact O-N 3.26Å; E10-V80 HydrophobicContact CB-CG2 4.39Å; E10-V80 WeakPolarHBondContact CB-O 3.42Å; E10-R82 VanDerWaalsContact CD-CB 3.49Å; E10-R82 WeakPolarHBondContact OE1-CB 3.45Å; E10-R82 WeakPolarHBondContact OE2-CB 3.5Å; E10-R82 PolarHBondContact OE2-N 2.65Å; E10-V110 HydrophobicContact CB-CG1 3.75Å; E10-M111 PolarHBondContact N-O 2.89Å; E10-M111 VanDerWaalsContact N-O 3.09Å; E10-D112 WeakPolarHBondContact OE1-CA 3.46Å; E10-A113 HydrophobicContact CG-CB 3.83Å; E10-A113 PolarHBondContact OE1-N 2.61Å
11S88Confident87.4Confident75 Ų7552.4 Ų52.452%0.52431%0.31SS..THydrogen-bonded Turntrans-67.96.3171.363.60000114.3A113S11-A113 WeakPolarHBondContact OG-CB 3.4Å
12A88.1Confident89Confident17 Ų1748.1 Ų48.114%0.1429%0.291CS..PPolyproline II helixtrans-69.1125.2173.700000110.9I8 L9 E10 A16 L76I8-A12 HydrophobicContact CD1-CB 3.83Å; I8-A12 HydrophobicContact CG1-CB 3.57Å; L9-A12 WeakPolarHBondContact O-CB 3.48Å; L9-A12 PolarHBondContact O-N 3.4Å; L9-A12 VanDerWaalsContact O-N 3.14Å; E10-A12 PolarHBondContact O-N 3.26Å; A12-A16 HydrophobicContact CB-CB 3.76Å; A12-L76 WeakPolarHBondContact O-CD2 3.45Å
13P89.7Confident89.7Confident99 Ų9950.3 Ų50.364%0.64330%0.297SS*.PPolyproline II helixtrans-68.1154.6-17728.3-35.8000112G15 A16P13-G15 PolarHBondContact O-N 2.94Å; P13-A16 WeakPolarHBondContact O-CB 3.33Å; P13-A16 PolarHBondContact O-N 3.29Å
14V89.5Confident89.8Confident86 Ų8650.5 Ų50.552%0.52129%0.293SS..THydrogen-bonded Turntrans-50.5129.7171.21750000110.5L77 P79V14-L77 VanDerWaalsContact CG1-O 3.29Å; V14-L77 WeakPolarHBondContact CG1-O 3.34Å; V14-P79 HydrophobicContact CG2-CG 4.27Å
15G89.4Confident89.5Confident48 Ų4852.7 Ų52.750%0.49531%0.312SS..THydrogen-bonded Turntrans95.6-11-169.700000115.1P13 L76P13-G15 PolarHBondContact O-N 2.94Å; G15-L76 PolarHBondContact N-O 2.9Å
16A89.5Confident89.3Confident24 Ų2450.6 Ų50.620%0.19831%0.305CS..PPolyproline II helixtrans-60.8147.9173.500000112I8 A12 P13 T75 L76I8-A16 HydrophobicContact CD1-CB 3.97Å; A12-A16 HydrophobicContact CB-CB 3.76Å; P13-A16 WeakPolarHBondContact O-CB 3.33Å; P13-A16 PolarHBondContact O-N 3.29Å; A16-T75 CarbonylContact O-C 3.53Å; A16-T75 WeakPolarHBondContact O-CA 3.42Å; A16-L76 PolarHBondContact O-N 3.11Å
17T91.5Very high89.2Confident64 Ų6453 Ų5339%0.39332%0.321SS..BIsolated β-bridgetrans-99.7133.3-175.7-50.40000111P27 Y73 L74 T75T17-P27 HydrophobicContact CG2-CB 3.73Å; T17-Y73 HydrophobicContact CG2-CD1 4.36Å; T17-Y73 HydrophobicContact CG2-CG 4.41Å; T17-L74 WeakPolarHBondContact CA-O 3.37Å; T17-T75 HydrophobicContact CG2-CG2 4.32Å
18I92.5Very high89Confident0 Ų051.5 Ų51.50%032%0.315CS..PPolyproline II helixtrans-59.2141.6172.8-54.8-54.9000109.9G6 I8 P27 L28 F63 L74 I108G6-I18 VanDerWaalsContact CA-CG2 3.45Å; I8-I18 HydrophobicContact CB-CD1 3.71Å; I8-I18 HydrophobicContact CD1-CD1 3.71Å; I8-I18 HydrophobicContact CG1-CD1 4.31Å; I8-I18 HydrophobicContact CG2-CD1 3.65Å; I18-P27 CarbonylContact O-C 3.59Å; I18-P27 WeakPolarHBondContact O-CA 3.27Å; I18-L28 HydrophobicContact CB-CB 4.23Å; I18-L28 HydrophobicContact CB-CD2 4.4Å; I18-L28 HydrophobicContact CG2-CB 4.06Å; I18-L28 HydrophobicContact CG2-CD2 3.77Å; I18-L28 WeakPolarHBondContact O-CB 3.47Å; I18-L28 PolarHBondContact O-N 2.93Å; I18-F63 HydrophobicContact CD1-CD1 4.15Å; I18-F63 HydrophobicContact CD1-CE1 3.91Å; I18-L74 HydrophobicContact CB-CB 4.4Å; I18-L74 HydrophobicContact CD1-CD2 4.43Å; I18-L74 HydrophobicContact CG1-CB 4.04Å; I18-L74 HydrophobicContact CG1-CD2 3.54Å; I18-L74 HydrophobicContact CG1-CG 4.43Å; I18-L74 WeakPolarHBondContact CG1-O 3.4Å; I18-L74 PolarHBondContact N-O 3.31Å; I18-I108 HydrophobicContact CD1-CD1 3.92Å; I18-I108 HydrophobicContact CD1-CG2 4.07Å; I18-I108 HydrophobicContact CG1-CD1 3.98Å; I18-I108 HydrophobicContact CG2-CG1 4.45Å
19S91.9Very high88.8Confident3 Ų356.5 Ų56.52%0.02133%0.334CS..BIsolated β-bridgetrans-99.4147.6175.5-172.90000112.9G6 Y7 S21 L24 T26G6-S19 CarbonylContact C-O 3.55Å; G6-S19 VanDerWaalsContact CA-O 3.29Å; G6-S19 WeakPolarHBondContact CA-O 3.41Å; Y7-S19 PolarHBondContact N-O 3Å; Y7-S19 PolarHBondContact O-N 3.29Å; S19-S21 VanDerWaalsContact C-N 3.26Å; S19-S21 PolarHBondContact OG-N 3.08Å; S19-S21 VanDerWaalsContact OG-N 3.1Å; S19-S21 PolarHBondContact OG-O 3.3Å; S19-S21 VanDerWaalsContact OG-O 3.14Å; S19-S21 PolarHBondContact OG-OG 2.89Å; S19-L24 WeakPolarHBondContact OG-CA 3.37Å; S19-T26 CarbonylContact C-O 3.57Å; S19-T26 WeakPolarHBondContact CA-O 3.47Å; S19-T26 WeakPolarHBondContact CB-O 3.45Å; S19-T26 PolarHBondContact OG-O 2.99Å
20E91.3Very high88.7Confident76 Ų7654.3 Ų54.336%0.35532%0.322SS..SBendtrans-78.6-3.7166.353.3-179.1-127.500113.2T26 L28 R29E20-T26 WeakPolarHBondContact CG-O 3.4Å; E20-T26 PolarHBondContact N-O 3.3Å; E20-L28 HydrophobicContact CB-CD1 3.87Å; E20-R29 VanDerWaalsContact CD-NH2 3.33Å; E20-R29 IonicContact OE1-CZ 2.95Å; E20-R29 IonicContact OE1-NE 3.81Å; E20-R29 IonicContact OE1-NH2 3.58Å; E20-R29 PolarHBondContact OE1-NH2 2.92Å; E20-R29 IonicContact OE2-CZ 3.98Å; E20-R29 IonicContact OE2-NE 3.52Å; E20-R29 PolarHBondContact OE2-NE 2.96Å; E20-R29 IonicContact OE2-NH2 2.82Å; E20-R29 PolarHBondContact OE2-NH2 2.88Å
21S87.8Confident88.3Confident25 Ų2556.7 Ų56.718%0.17534%0.338CS..SBendtrans-129.5145.4-17870.30000112.6Y7 S19 N23 L24 T25 T26Y7-S21 VanDerWaalsContact CD2-C 3.42Å; S19-S21 VanDerWaalsContact C-N 3.26Å; S19-S21 PolarHBondContact OG-N 3.08Å; S19-S21 VanDerWaalsContact OG-N 3.1Å; S19-S21 PolarHBondContact OG-O 3.3Å; S19-S21 VanDerWaalsContact OG-O 3.14Å; S19-S21 PolarHBondContact OG-OG 2.89Å; S21-N23 PolarHBondContact O-N 3.29Å; S21-L24 PolarHBondContact O-N 2.71Å; S21-L24 VanDerWaalsContact O-N 3.07Å; S21-T25 PolarHBondContact OG-N 3.3Å; S21-T25 PolarHBondContact OG-OG1 3.31Å; S21-T26 PolarHBondContact OG-OG1 2.82Å
22L84.4Confident87.9Confident92 Ų9254 Ų5448%0.48232%0.32SS..THydrogen-bonded Turntrans-59.6-26.3171.8-78.688.1000112.1Y7 L24 M111Y7-L22 HydrophobicContact CD1-CD1 4.15Å; Y7-L22 HydrophobicContact CD1-CG 3.84Å; Y7-L22 HydrophobicContact CD2-CD1 4.48Å; Y7-L22 HydrophobicContact CE1-CD1 3.53Å; Y7-L22 HydrophobicContact CE1-CG 3.68Å; Y7-L22 HydrophobicContact CE2-CD1 3.91Å; Y7-L22 HydrophobicContact CG-CG 4.34Å; L22-L24 PolarHBondContact O-N 3.28Å; L22-M111 WeakPolarHBondContact O-CE 3.38Å
23N84Confident87.4Confident135 Ų13558.1 Ų58.172%0.72234%0.339SS*.THydrogen-bonded Turntrans-77.83.3180-60.113.3000112.7S21 T25S21-N23 PolarHBondContact O-N 3.29Å; N23-T25 HydrophobicContact CB-CG2 3.78Å; N23-T25 PolarHBondContact O-N 2.84Å
24L85.6Confident86.8Confident74 Ų7455.3 Ų55.339%0.38732%0.318SS..SBendtrans53.419.1-176.1-56-174.7000115.1L9 S19 S21 L22 M111L9-L24 HydrophobicContact CB-CD1 4.21Å; L9-L24 HydrophobicContact CD1-CD1 3.73Å; S19-L24 WeakPolarHBondContact OG-CA 3.37Å; S21-L24 PolarHBondContact O-N 2.71Å; S21-L24 VanDerWaalsContact O-N 3.07Å; L22-L24 PolarHBondContact O-N 3.28Å; L24-M111 HydrophobicContact CD2-SD 3.88Å; L24-M111 HydrophobicContact CG-SD 4.21Å
25T83.8Confident86Confident102 Ų10260.5 Ų60.563%0.62633%0.334SS*.  trans-77.5-22.6-17151.80000114.8S21 N23S21-T25 PolarHBondContact OG-N 3.3Å; S21-T25 PolarHBondContact OG-OG1 3.31Å; N23-T25 HydrophobicContact CB-CG2 3.78Å; N23-T25 PolarHBondContact O-N 2.84Å
26T87.8Confident85.3Confident40 Ų4064.2 Ų64.225%0.24534%0.343CS..SBendtrans-140.6120-164.429.90000108.9S19 E20 S21S19-T26 CarbonylContact C-O 3.57Å; S19-T26 WeakPolarHBondContact CA-O 3.47Å; S19-T26 WeakPolarHBondContact CB-O 3.45Å; S19-T26 PolarHBondContact OG-O 2.99Å; E20-T26 WeakPolarHBondContact CG-O 3.4Å; E20-T26 PolarHBondContact N-O 3.3Å; S21-T26 PolarHBondContact OG-OG1 2.82Å
27P88.9Confident84.3Confident52 Ų5265.7 Ų65.734%0.33835%0.346SS..BIsolated β-bridgetrans-65.5147.6179.829.1-35.8000110.5T17 I18 R29 Y73T17-P27 HydrophobicContact CG2-CB 3.73Å; I18-P27 CarbonylContact O-C 3.59Å; I18-P27 WeakPolarHBondContact O-CA 3.27Å; P27-R29 WeakPolarHBondContact O-CG 3.2Å; P27-R29 PolarHBondContact O-N 3.18Å; P27-R29 VanDerWaalsContact O-N 3.14Å; P27-Y73 HydrophobicContact CB-CD1 3.77Å; P27-Y73 HydrophobicContact CB-CE1 3.86Å; P27-Y73 HydrophobicContact CG-CD1 4.13Å; P27-Y73 HydrophobicContact CG-CE1 3.67Å
28L90.5Very high82.6Confident6 Ų672 Ų723%0.03137%0.371CS..  trans-68.3107.6179.8179.360.8000109.8Y4 I18 E20 I30 V106Y4-L28 HydrophobicContact CD1-CD1 4.01Å; I18-L28 HydrophobicContact CB-CB 4.23Å; I18-L28 HydrophobicContact CB-CD2 4.4Å; I18-L28 HydrophobicContact CG2-CB 4.06Å; I18-L28 HydrophobicContact CG2-CD2 3.77Å; I18-L28 WeakPolarHBondContact O-CB 3.47Å; I18-L28 PolarHBondContact O-N 2.93Å; E20-L28 HydrophobicContact CB-CD1 3.87Å; L28-I30 PolarHBondContact O-N 2.99Å; L28-V106 HydrophobicContact CD2-CG1 4.47Å
29R88.4Confident81.1Confident110 Ų11075.5 Ų75.542%0.41539%0.39SS..  trans-87.396.6-175-72.2174.6-84.1-146.8-0.9111.3Y4 E20 P27 T71 Y73Y4-R29 WeakPolarHBondContact CE1-O 3.41Å; E20-R29 VanDerWaalsContact CD-NH2 3.33Å; E20-R29 IonicContact OE1-CZ 2.95Å; E20-R29 IonicContact OE1-NE 3.81Å; E20-R29 IonicContact OE1-NH2 3.58Å; E20-R29 PolarHBondContact OE1-NH2 2.92Å; E20-R29 IonicContact OE2-CZ 3.98Å; E20-R29 IonicContact OE2-NE 3.52Å; E20-R29 PolarHBondContact OE2-NE 2.96Å; E20-R29 IonicContact OE2-NH2 2.82Å; E20-R29 PolarHBondContact OE2-NH2 2.88Å; P27-R29 WeakPolarHBondContact O-CG 3.2Å; P27-R29 PolarHBondContact O-N 3.18Å; P27-R29 VanDerWaalsContact O-N 3.14Å; R29-T71 HydrophobicContact CB-CG2 3.68Å; R29-T71 HydrophobicContact CG-CG2 3.55Å; R29-Y73 HydrophobicContact CG-CE1 3.82Å
30I88Confident79.4Confident3 Ų379 Ų792%0.01541%0.411CS..BIsolated β-bridgetrans-82.5118.9169.8-62.3160.3000107.2Y4 L28 L54 V65 R72 L74 I92Y4-I30 HydrophobicContact CD1-CG1 4.41Å; Y4-I30 HydrophobicContact CD2-CG1 4.37Å; Y4-I30 HydrophobicContact CE1-CG1 4.31Å; Y4-I30 HydrophobicContact CE2-CG1 4.27Å; Y4-I30 HydrophobicContact CE2-CG2 4.19Å; Y4-I30 HydrophobicContact CG-CG1 4.44Å; L28-I30 PolarHBondContact O-N 2.99Å; I30-L54 HydrophobicContact CG2-CD1 4.39Å; I30-V65 HydrophobicContact CD1-CG2 4.16Å; I30-R72 HydrophobicContact CB-CB 4.28Å; I30-R72 WeakPolarHBondContact CB-O 3.24Å; I30-R72 PolarHBondContact N-O 2.82Å; I30-R72 WeakPolarHBondContact O-CA 3.49Å; I30-R72 WeakPolarHBondContact O-CB 3.29Å; I30-R72 PolarHBondContact O-N 3.03Å; I30-L74 HydrophobicContact CD1-CB 4.02Å; I30-L74 HydrophobicContact CD1-CD1 3.68Å; I30-L74 HydrophobicContact CD1-CG 4.48Å; I30-I92 HydrophobicContact CD1-CD1 3.72Å
31V83.8Confident77.8Confident60 Ų6078 Ų7836%0.36441%0.411SS..  trans-118.2121.8174.8-1780000108Y4 L33 T71Y4-V31 PolarHBondContact OH-N 3.29Å; Y4-V31 PolarHBondContact OH-O 2.94Å; V31-L33 HydrophobicContact CG1-CD2 3.87Å; V31-L33 HydrophobicContact CG1-CG 4.17Å; V31-T71 HydrophobicContact CG2-CG2 4.29Å
32A79.9Confident76.4Confident18 Ų1883.9 Ų83.915%0.14945%0.449CS..  trans-109.5135.8168.700000107.9L52 L54 A94A32-L52 HydrophobicContact CB-CD1 3.56Å; A32-L54 HydrophobicContact CB-CD2 4.35Å; A32-A94 HydrophobicContact CB-CB 3.95Å
33L76.7Confident75.2Confident104 Ų10482.8 Ų82.855%0.54546%0.46SS..  trans-120.9121.6-179-61.8178000108.6V31 P46V31-L33 HydrophobicContact CG1-CD2 3.87Å; V31-L33 HydrophobicContact CG1-CG 4.17Å; L33-P46 HydrophobicContact CD2-CG 3.67Å
34D76.9Confident74Confident39 Ų3978.8 Ų78.821%0.20945%0.451CS..  trans-72.9144.4159-176.59.3000109D36 I37 P50 L52D34-D36 PolarHBondContact OD1-N 2.79Å; D34-I37 HydrophobicContact CB-CD1 4.15Å; D34-I37 HydrophobicContact CB-CG1 4.39Å; D34-P50 HydrophobicContact CB-CB 3.92Å; D34-L52 HydrophobicContact CB-CD2 4.43Å
35K74.5Confident72.7Confident195 Ų19580 Ų8085%0.84846%0.461SS*.SBendtrans-94.9-17.1175-73.7179.4-179.9168.70113.1I37K35-I37 PolarHBondContact O-N 2.92Å
36D73.7Confident71.4Confident127 Ų12775.9 Ų75.968%0.67944%0.436SS*.SBendtrans-83-6.5-177.3-69.28.7000111.7D34D34-D36 PolarHBondContact OD1-N 2.79Å
37I67.7Low70.4Confident54 Ų5478.6 Ų78.628%0.27745%0.453SS..  trans-90.3103.7171.3-64.9173.5000110.4D34 K35 D39 P50D34-I37 HydrophobicContact CB-CD1 4.15Å; D34-I37 HydrophobicContact CB-CG1 4.39Å; K35-I37 PolarHBondContact O-N 2.92Å; I37-D39 HydrophobicContact CG2-CB 4.11Å; I37-D39 PolarHBondContact O-N 2.72Å; I37-D39 VanDerWaalsContact O-N 3.12Å; I37-P50 HydrophobicContact CD1-CB 3.7Å
38E57.9Low69.5Low196 Ų19681.9 Ų81.992%0.91646%0.462SS*.  trans-66.9-8.9-178.1-62.7-170.5125.500115.1V40E38-V40 PolarHBondContact O-N 2.96Å
39D59.4Low68.7Low74 Ų7483.6 Ų83.640%0.39647%0.471SS..  trans-77.442.7-176.8-92.6-27000114.1I37 P41 K48I37-D39 HydrophobicContact CG2-CB 4.11Å; I37-D39 PolarHBondContact O-N 2.72Å; I37-D39 VanDerWaalsContact O-N 3.12Å; D39-P41 VanDerWaalsContact O-CD 3.26Å; D39-P41 WeakPolarHBondContact O-CD 3.46Å; D39-K48 WeakPolarHBondContact OD2-CE 3.14Å; D39-K48 IonicContact OD2-NZ 2.65Å; D39-K48 PolarHBondContact OD2-NZ 3.12Å
40V55.7Low68Low76 Ų7679.4 Ų79.446%0.46146%0.458SS..  trans-10398.6175-173.70000110.7E38E38-V40 PolarHBondContact O-N 2.96Å
41P58.5Low67.6Low55 Ų5587 Ų8736%0.35749%0.493SS..  trans-66.4159.1176.228-35.4000112D39 G43 G44 V45 T47D39-P41 VanDerWaalsContact O-CD 3.26Å; D39-P41 WeakPolarHBondContact O-CD 3.46Å; P41-G43 PolarHBondContact O-N 2.81Å; P41-G44 PolarHBondContact O-N 2.89Å; P41-V45 WeakPolarHBondContact CD-O 3.25Å; P41-V45 VanDerWaalsContact CG-O 3.3Å; P41-V45 WeakPolarHBondContact CG-O 3.3Å; P41-T47 HydrophobicContact CG-CG2 4.44Å
42P58.3Low67.6Low150 Ų15084.7 Ų84.797%0.97448%0.479SS*.THydrogen-bonded Turntrans-69.923.8-174.929.6-37000115.7
43G60Low68Low68 Ų6889.3 Ų89.370%0.70150%0.497SS*.THydrogen-bonded Turntrans-108.8-0.2163.300000114P41 V45P41-G43 PolarHBondContact O-N 2.81Å; G43-V45 VanDerWaalsContact C-N 3.28Å; G43-V45 PolarHBondContact O-N 2.84Å
44G58.3Low68.5Low52 Ų5285.7 Ų85.754%0.53648%0.478SS..SBendtrans76.33.8175.400000116.1P41P41-G44 PolarHBondContact O-N 2.89Å
45V57.9Low69Low98 Ų9889 Ų8959%0.59449%0.491SS*.  trans-99.6111.9175.7-176.30000108.6P41 G43P41-V45 WeakPolarHBondContact CD-O 3.25Å; P41-V45 VanDerWaalsContact CG-O 3.3Å; P41-V45 WeakPolarHBondContact CG-O 3.3Å; G43-V45 VanDerWaalsContact C-N 3.28Å; G43-V45 PolarHBondContact O-N 2.84Å
46P57Low69.8Low16 Ų1680.7 Ų80.710%0.10446%0.456CS..  trans-67.9145.8176.131.7-37.3000110.3L33 I70L33-P46 HydrophobicContact CD2-CG 3.67Å; P46-I70 HydrophobicContact CG-CG2 3.77Å; P46-I70 WeakPolarHBondContact O-CD1 3.12Å
47T67.2Low70.7Confident98 Ų9879.3 Ų79.360%0.60145%0.448SS*.SBendtrans-97.13.9-177.346.80000114.6P41P41-T47 HydrophobicContact CG-CG2 4.44Å
48K70Confident71.7Confident121 Ų12180.7 Ų80.753%0.52646%0.456SS..SBendtrans-134.4148.4174.3-71.5170.9-178.81580109.6D39 I70D39-K48 WeakPolarHBondContact OD2-CE 3.14Å; D39-K48 IonicContact OD2-NZ 2.65Å; D39-K48 PolarHBondContact OD2-NZ 3.12Å; K48-I70 VanDerWaalsContact C-CG1 3.46Å; K48-I70 WeakPolarHBondContact O-CG1 3.41Å
49D73.4Confident73.2Confident42 Ų4274 Ų7423%0.22542%0.423CS..  trans-64.1128.4164.7-176.14.8000108.1E51 G69 I70 R72D49-E51 PolarHBondContact O-N 2.84Å; D49-E51 PolarHBondContact OD1-N 2.83Å; D49-G69 PolarHBondContact OD2-N 2.79Å; D49-I70 HydrophobicContact CB-CG1 4.44Å; D49-R72 IonicContact OD1-CZ 3.7Å; D49-R72 IonicContact OD1-NE 3.98Å; D49-R72 IonicContact OD1-NH2 2.65Å; D49-R72 PolarHBondContact OD1-NH2 2.89Å; D49-R72 IonicContact OD2-NH2 2.82Å
50P74Confident74.6Confident21 Ų2174.9 Ų74.914%0.13643%0.431CS..  trans-75.29.4176.832.3-37.5000113.6D34 I37 L52D34-P50 HydrophobicContact CB-CB 3.92Å; I37-P50 HydrophobicContact CD1-CB 3.7Å; P50-L52 HydrophobicContact CB-CD1 4.1Å; P50-L52 HydrophobicContact CB-CG 3.89Å; P50-L52 HydrophobicContact CG-CD1 3.71Å; P50-L52 HydrophobicContact CG-CG 3.79Å; P50-L52 PolarHBondContact O-N 2.9Å
51E79.9Confident76.2Confident163 Ų16374.4 Ų74.476%0.76243%0.431SS*.  trans55.515.1179.1-59.6-165.4158.300115.1D49D49-E51 PolarHBondContact O-N 2.84Å; D49-E51 PolarHBondContact OD1-N 2.83Å
52L83.6Confident77.7Confident11 Ų1172.4 Ų72.46%0.05842%0.418CS..  trans-59140.3-179-61.6174.9000112.6A32 D34 P50 R72 D96A32-L52 HydrophobicContact CB-CD1 3.56Å; D34-L52 HydrophobicContact CB-CD2 4.43Å; P50-L52 HydrophobicContact CB-CD1 4.1Å; P50-L52 HydrophobicContact CB-CG 3.89Å; P50-L52 HydrophobicContact CG-CD1 3.71Å; P50-L52 HydrophobicContact CG-CG 3.79Å; P50-L52 PolarHBondContact O-N 2.9Å; L52-R72 PolarHBondContact O-NH1 2.59Å; L52-R72 PolarHBondContact O-NH2 2.9Å; L52-R72 VanDerWaalsContact O-NH2 3.11Å; L52-D96 HydrophobicContact CD2-CB 3.52Å
53H86.6Confident79.3Confident116 Ų11665.4 Ų65.454%0.53737%0.372SS..EExtended strand (participates in β ladder)trans-87.3138.6165.8-74.1-73.4000110.1F55 A94 F95H53-F55 HydrophobicContact CB-CE2 4.02Å; H53-F55 HydrophobicContact CB-CZ 4.25Å; H53-A94 CarbonylContact O-C 3.52Å; H53-A94 WeakPolarHBondContact O-CA 3.47Å; H53-F95 PolarHBondContact N-O 3.08Å; H53-F95 PolarHBondContact O-N 2.95Å
54L88.1Confident80.9Confident27 Ų2764.9 Ų64.914%0.14136%0.355CS..EExtended strand (participates in β ladder)trans-118.5124.6178.9-77.2161.7000109.5I30 A32 V65 R72 I92 T93 A94I30-L54 HydrophobicContact CG2-CD1 4.39Å; A32-L54 HydrophobicContact CB-CD2 4.35Å; L54-V65 HydrophobicContact CB-CG1 3.91Å; L54-V65 HydrophobicContact CD1-CG1 3.76Å; L54-V65 HydrophobicContact CG-CG1 4.49Å; L54-R72 HydrophobicContact CD1-CB 3.8Å; L54-R72 HydrophobicContact CD1-CG 3.59Å; L54-I92 HydrophobicContact CD2-CG2 3.6Å; L54-T93 WeakPolarHBondContact CA-O 3.47Å; L54-A94 HydrophobicContact CD2-CB 3.67Å
55F88.3Confident82.4Confident108 Ų10863 Ų6347%0.47433%0.333SS..EExtended strand (participates in β ladder)trans-111.7126.8180-63.3-77.1000110.3H53 I92 T93 F95H53-F55 HydrophobicContact CB-CE2 4.02Å; H53-F55 HydrophobicContact CB-CZ 4.25Å; F55-I92 WeakPolarHBondContact O-CA 3.35Å; F55-T93 PolarHBondContact N-O 2.71Å; F55-T93 PolarHBondContact O-N 2.83Å; F55-F95 HydrophobicContact CD2-CB 4.21Å; F55-F95 HydrophobicContact CE2-CB 3.84Å; F55-F95 HydrophobicContact CE2-CD1 4.09Å; F55-F95 HydrophobicContact CE2-CG 4.25Å
56L91.2Very high83.8Confident22 Ų2260.1 Ų60.112%0.11532%0.316CS..EExtended strand (participates in β ladder)trans-86.9135.7165.8-70.468.5000107.6T60 F63 V65 L74 F90 L91 I92L56-T60 HydrophobicContact CB-CG2 3.99Å; L56-F63 HydrophobicContact CD2-CB 4.02Å; L56-V65 HydrophobicContact CD1-CB 4.2Å; L56-V65 HydrophobicContact CD1-CG2 3.91Å; L56-L74 HydrophobicContact CD2-CD1 4.41Å; L56-F90 HydrophobicContact CB-CD2 4.23Å; L56-F90 HydrophobicContact CB-CE2 4.46Å; L56-F90 HydrophobicContact CD2-CD2 4.03Å; L56-F90 HydrophobicContact CD2-CE2 3.53Å; L56-F90 HydrophobicContact CD2-CZ 3.95Å; L56-F90 HydrophobicContact CG-CD2 3.96Å; L56-F90 HydrophobicContact CG-CE2 3.7Å; L56-L91 WeakPolarHBondContact CA-O 3.43Å; L56-I92 HydrophobicContact CD1-CD1 4.19Å; L56-I92 HydrophobicContact CD1-CG1 4.18Å; L56-I92 HydrophobicContact CG-CD1 4.25Å; L56-I92 HydrophobicContact CG-CG1 3.96Å
57N91.1Very high85.1Confident97 Ų9764.4 Ų64.452%0.51934%0.344SS..SBendtrans-81.6-17.7179.781.8-43.2000114.2F90 L91N57-F90 WeakPolarHBondContact OD1-CB 3.12Å; N57-L91 HydrophobicContact CB-CB 4.27Å; N57-L91 PolarHBondContact N-O 2.94Å; N57-L91 PolarHBondContact OD1-N 2.73Å; N57-L91 PolarHBondContact OD1-O 2.9Å
58D89.5Confident85.9Confident83 Ų8364.5 Ų64.544%0.44434%0.344SS..SBendtrans-152.5169.2-176.5-154.3-13000110T60 F90D58-T60 PolarHBondContact O-N 3.2Å; D58-T60 VanDerWaalsContact O-N 3.12Å; D58-F90 HydrophobicContact CB-CB 4.13Å
59Y90.3Very high86.4Confident57 Ų5760 Ų6022%0.22433%0.332CS..  trans54.425.3-178.4-56.2-70.2000115.1S61 V62 F63 Q85 Y88 F90Y59-S61 PolarHBondContact O-N 2.97Å; Y59-V62 HydrophobicContact CD1-CG2 4.41Å; Y59-V62 PolarHBondContact O-N 3.31Å; Y59-F63 PolarHBondContact O-N 3.21Å; Y59-Q85 PolarHBondContact OH-NE2 3.01Å; Y59-Y88 AromaticContact CD1-CD1 3.57Å; Y59-Y88 HydrophobicContact CD1-CD1 3.57Å; Y59-Y88 HydrophobicContact CD1-CE1 4.02Å; Y59-Y88 HydrophobicContact CD2-CD1 4.26Å; Y59-Y88 AromaticContact CE1-CD1 3.55Å; Y59-Y88 HydrophobicContact CE1-CD1 3.55Å; Y59-Y88 AromaticContact CE1-CE1 3.99Å; Y59-Y88 HydrophobicContact CE1-CE1 3.99Å; Y59-Y88 HydrophobicContact CE2-CD1 4.24Å; Y59-Y88 AromaticContact CG-CD1 3.95Å; Y59-Y88 HydrophobicContact CG-CD1 3.95Å; Y59-Y88 AromaticContact CZ-CD1 3.9Å; Y59-F90 HydrophobicContact CD2-CB 4.19Å; Y59-F90 AromaticContact CD2-CD1 3.95Å; Y59-F90 HydrophobicContact CD2-CD1 3.95Å; Y59-F90 HydrophobicContact CD2-CG 4.5Å
60T88.3Confident86.8Confident92 Ų9260.5 Ų60.556%0.56434%0.335SS*.THydrogen-bonded Turntrans-65.2-6.2177.457.90000114.5L56 D58 L77L56-T60 HydrophobicContact CB-CG2 3.99Å; D58-T60 PolarHBondContact O-N 3.2Å; D58-T60 VanDerWaalsContact O-N 3.12Å; T60-L77 WeakPolarHBondContact O-CD1 3.28Å
61S89Confident87.3Confident65 Ų6561.6 Ų61.646%0.45534%0.341SS..THydrogen-bonded Turntrans-89.4-27168.557.70000113Y59 L77 Q78Y59-S61 PolarHBondContact O-N 2.97Å; S61-L77 WeakPolarHBondContact O-CB 3.14Å; S61-Q78 VanDerWaalsContact O-CD 3.28Å; S61-Q78 VanDerWaalsContact O-CG 3.26Å; S61-Q78 WeakPolarHBondContact O-CG 3.37Å; S61-Q78 PolarHBondContact O-OE1 2.9Å
62V89.3Confident87.7Confident14 Ų1454.1 Ų54.19%0.08531%0.306CS..THydrogen-bonded Turntrans-96.9-33.6-175.2-1720000111.2Y59 L77 V80Y59-V62 HydrophobicContact CD1-CG2 4.41Å; Y59-V62 PolarHBondContact O-N 3.31Å; V62-L77 PolarHBondContact O-N 2.79Å; V62-V80 HydrophobicContact CG1-CG1 3.34Å
63F92.8Very high88.1Confident2 Ų257.3 Ų57.31%0.00932%0.318CS..EExtended strand (participates in β ladder)trans-131.6151.6-179-50-74.9000113I18 L56 Y59 L74 T75 L76 V80 Y88 F90 I108I18-F63 HydrophobicContact CD1-CD1 4.15Å; I18-F63 HydrophobicContact CD1-CE1 3.91Å; L56-F63 HydrophobicContact CD2-CB 4.02Å; Y59-F63 PolarHBondContact O-N 3.21Å; F63-L74 HydrophobicContact CB-CD2 3.64Å; F63-L74 HydrophobicContact CB-CG 4.49Å; F63-L74 HydrophobicContact CD1-CD2 3.82Å; F63-L74 HydrophobicContact CG-CD2 3.82Å; F63-T75 WeakPolarHBondContact CA-O 3.14Å; F63-L76 HydrophobicContact CD1-CD1 3.93Å; F63-L76 HydrophobicContact CE1-CD1 3.53Å; F63-V80 HydrophobicContact CE1-CG1 4.47Å; F63-V80 HydrophobicContact CZ-CG1 4.22Å; F63-Y88 HydrophobicContact CE2-CD1 4.04Å; F63-Y88 AromaticContact CE2-CD2 3.87Å; F63-Y88 HydrophobicContact CE2-CD2 3.87Å; F63-Y88 HydrophobicContact CE2-CE2 4.46Å; F63-Y88 AromaticContact CE2-CG 3.62Å; F63-Y88 HydrophobicContact CE2-CG 3.62Å; F63-Y88 HydrophobicContact CZ-CD1 4.49Å; F63-Y88 AromaticContact CZ-CD2 3.55Å; F63-Y88 HydrophobicContact CZ-CD2 3.55Å; F63-Y88 AromaticContact CZ-CE2 4Å; F63-Y88 HydrophobicContact CZ-CE2 4Å; F63-Y88 AromaticContact CZ-CG 3.82Å; F63-Y88 HydrophobicContact CZ-CG 3.82Å; F63-F90 AromaticContact CD2-CE1 3.89Å; F63-F90 HydrophobicContact CD2-CE1 3.89Å; F63-F90 HydrophobicContact CD2-CZ 4.43Å; F63-F90 HydrophobicContact CE2-CE1 4.23Å; F63-I108 HydrophobicContact CD1-CD1 3.81Å; F63-I108 HydrophobicContact CD2-CD1 4.08Å; F63-I108 HydrophobicContact CE1-CD1 3.54Å; F63-I108 HydrophobicContact CE2-CD1 3.84Å; F63-I108 HydrophobicContact CG-CD1 4.08Å; F63-I108 HydrophobicContact CZ-CD1 3.58Å
64T92.1Very high88.3Confident57 Ų5751.8 Ų51.835%0.3529%0.292SS..EExtended strand (participates in β ladder)trans-135.4167.2168.6-169.70000110.8L74 T75 L77T64-L74 CarbonylContact O-C 3.52Å; T64-L74 WeakPolarHBondContact O-CA 3.43Å; T64-T75 VanDerWaalsContact CG2-OG1 3.25Å; T64-T75 WeakPolarHBondContact CG2-OG1 3.18Å; T64-T75 PolarHBondContact N-O 2.67Å; T64-T75 PolarHBondContact O-N 2.69Å; T64-L77 HydrophobicContact CG2-CD1 4.42Å; T64-L77 HydrophobicContact CG2-CD2 3.76Å; T64-L77 HydrophobicContact CG2-CG 3.86Å
65V90.7Very high88.5Confident13 Ų1351.6 Ų51.68%0.07929%0.292CS..EExtended strand (participates in β ladder)trans-117.2141.4174.9151.90000110.1I30 L54 L56 R72 Y73 L74 I92I30-V65 HydrophobicContact CD1-CG2 4.16Å; L54-V65 HydrophobicContact CB-CG1 3.91Å; L54-V65 HydrophobicContact CD1-CG1 3.76Å; L54-V65 HydrophobicContact CG-CG1 4.49Å; L56-V65 HydrophobicContact CD1-CB 4.2Å; L56-V65 HydrophobicContact CD1-CG2 3.91Å; V65-R72 HydrophobicContact CG1-CB 4.19Å; V65-Y73 WeakPolarHBondContact CA-O 3.31Å; V65-L74 HydrophobicContact CG2-CB 4.22Å; V65-L74 HydrophobicContact CG2-CD1 3.7Å; V65-L74 HydrophobicContact CG2-CG 3.9Å; V65-I92 HydrophobicContact CG2-CD1 4.08Å
66T87.4Confident88.7Confident37 Ų3746.6 Ų46.623%0.22727%0.27CS..  trans-55.6125.8176.452.70000111.1T68 R72 Y73T66-T68 VanDerWaalsContact C-N 3.25Å; T66-T68 PolarHBondContact O-N 3.4Å; T66-R72 WeakPolarHBondContact O-CD 3.44Å; T66-R72 WeakPolarHBondContact OG1-CA 3.45Å; T66-Y73 HydrophobicContact CG2-CD2 4.46Å; T66-Y73 PolarHBondContact N-O 2.78Å; T66-Y73 PolarHBondContact OG1-N 3.32Å
67P84.8Confident88.7Confident106 Ų10649.1 Ų49.169%0.68828%0.283SS*.SBendtrans-76-7.3-169.629.7-36.6000114.8R72P67-R72 PolarHBondContact O-NH1 3.36Å; P67-R72 VanDerWaalsContact O-NH1 3.14Å
68T84.3Confident88.6Confident100 Ų10049 Ų4961%0.61328%0.28SS*.SBendtrans-143.3165.1176.754.90000110.9T66T66-T68 VanDerWaalsContact C-N 3.25Å; T66-T68 PolarHBondContact O-N 3.4Å
69G80.7Confident88.7Confident27 Ų2749.8 Ų49.828%0.27829%0.289SS..SBendtrans111.1141.7177.900000113.7D49 T71 R72D49-G69 PolarHBondContact OD2-N 2.79Å; G69-T71 PolarHBondContact O-N 2.82Å; G69-R72 VanDerWaalsContact O-CD 3.3Å; G69-R72 WeakPolarHBondContact O-CD 3.34Å; G69-R72 WeakPolarHBondContact O-CG 3.47Å; G69-R72 PolarHBondContact O-NE 3.42Å
70I80.4Confident88.6Confident53 Ų5347.5 Ų47.527%0.27228%0.281SS..SBendtrans-53.4-40.8172.6-69155000111.6P46 K48 D49P46-I70 HydrophobicContact CG-CG2 3.77Å; P46-I70 WeakPolarHBondContact O-CD1 3.12Å; K48-I70 VanDerWaalsContact C-CG1 3.46Å; K48-I70 WeakPolarHBondContact O-CG1 3.41Å; D49-I70 HydrophobicContact CB-CG1 4.44Å
71T85.2Confident88.7Confident43 Ų4346 Ų4626%0.26427%0.269SS..SBendtrans-108.1119.2176.1-50.90000107.8R29 V31 G69 Y73R29-T71 HydrophobicContact CB-CG2 3.68Å; R29-T71 HydrophobicContact CG-CG2 3.55Å; V31-T71 HydrophobicContact CG2-CG2 4.29Å; G69-T71 PolarHBondContact O-N 2.82Å; T71-Y73 HydrophobicContact CG2-CE1 3.92Å; T71-Y73 HydrophobicContact CG2-CE2 4.36Å; T71-Y73 WeakPolarHBondContact O-CE2 3.47Å
72R88.2Confident88.9Confident7 Ų743.5 Ų43.53%0.02625%0.25CS..BIsolated β-bridgetrans-101.2141.8-175-59.2-80.5177.8115.84.8108.7I30 D49 L52 L54 V65 T66 P67 G69I30-R72 HydrophobicContact CB-CB 4.28Å; I30-R72 WeakPolarHBondContact CB-O 3.24Å; I30-R72 PolarHBondContact N-O 2.82Å; I30-R72 WeakPolarHBondContact O-CA 3.49Å; I30-R72 WeakPolarHBondContact O-CB 3.29Å; I30-R72 PolarHBondContact O-N 3.03Å; D49-R72 IonicContact OD1-CZ 3.7Å; D49-R72 IonicContact OD1-NE 3.98Å; D49-R72 IonicContact OD1-NH2 2.65Å; D49-R72 PolarHBondContact OD1-NH2 2.89Å; D49-R72 IonicContact OD2-NH2 2.82Å; L52-R72 PolarHBondContact O-NH1 2.59Å; L52-R72 PolarHBondContact O-NH2 2.9Å; L52-R72 VanDerWaalsContact O-NH2 3.11Å; L54-R72 HydrophobicContact CD1-CB 3.8Å; L54-R72 HydrophobicContact CD1-CG 3.59Å; V65-R72 HydrophobicContact CG1-CB 4.19Å; T66-R72 WeakPolarHBondContact O-CD 3.44Å; T66-R72 WeakPolarHBondContact OG1-CA 3.45Å; P67-R72 PolarHBondContact O-NH1 3.36Å; P67-R72 VanDerWaalsContact O-NH1 3.14Å; G69-R72 VanDerWaalsContact O-CD 3.3Å; G69-R72 WeakPolarHBondContact O-CD 3.34Å; G69-R72 WeakPolarHBondContact O-CG 3.47Å; G69-R72 PolarHBondContact O-NE 3.42Å
73Y91Very high88.9Confident78 Ų7845.6 Ų45.631%0.30626%0.259SS..  trans-121.3143.5-175.2-60-70.9000110.2T17 P27 R29 V65 T66 T71T17-Y73 HydrophobicContact CG2-CD1 4.36Å; T17-Y73 HydrophobicContact CG2-CG 4.41Å; P27-Y73 HydrophobicContact CB-CD1 3.77Å; P27-Y73 HydrophobicContact CB-CE1 3.86Å; P27-Y73 HydrophobicContact CG-CD1 4.13Å; P27-Y73 HydrophobicContact CG-CE1 3.67Å; R29-Y73 HydrophobicContact CG-CE1 3.82Å; V65-Y73 WeakPolarHBondContact CA-O 3.31Å; T66-Y73 HydrophobicContact CG2-CD2 4.46Å; T66-Y73 PolarHBondContact N-O 2.78Å; T66-Y73 PolarHBondContact OG1-N 3.32Å; T71-Y73 HydrophobicContact CG2-CE1 3.92Å; T71-Y73 HydrophobicContact CG2-CE2 4.36Å; T71-Y73 WeakPolarHBondContact O-CE2 3.47Å
74L91.8Very high88.6Confident0 Ų053.6 Ų53.60%030%0.296CS..EExtended strand (participates in β ladder)trans-100.1127.8179.6-151.9134.8000108.7T17 I18 I30 L56 F63 T64 V65 F90 I92 I108T17-L74 WeakPolarHBondContact CA-O 3.37Å; I18-L74 HydrophobicContact CB-CB 4.4Å; I18-L74 HydrophobicContact CD1-CD2 4.43Å; I18-L74 HydrophobicContact CG1-CB 4.04Å; I18-L74 HydrophobicContact CG1-CD2 3.54Å; I18-L74 HydrophobicContact CG1-CG 4.43Å; I18-L74 WeakPolarHBondContact CG1-O 3.4Å; I18-L74 PolarHBondContact N-O 3.31Å; I30-L74 HydrophobicContact CD1-CB 4.02Å; I30-L74 HydrophobicContact CD1-CD1 3.68Å; I30-L74 HydrophobicContact CD1-CG 4.48Å; L56-L74 HydrophobicContact CD2-CD1 4.41Å; F63-L74 HydrophobicContact CB-CD2 3.64Å; F63-L74 HydrophobicContact CB-CG 4.49Å; F63-L74 HydrophobicContact CD1-CD2 3.82Å; F63-L74 HydrophobicContact CG-CD2 3.82Å; T64-L74 CarbonylContact O-C 3.52Å; T64-L74 WeakPolarHBondContact O-CA 3.43Å; V65-L74 HydrophobicContact CG2-CB 4.22Å; V65-L74 HydrophobicContact CG2-CD1 3.7Å; V65-L74 HydrophobicContact CG2-CG 3.9Å; L74-F90 HydrophobicContact CD1-CE2 3.87Å; L74-F90 HydrophobicContact CD1-CZ 3.73Å; L74-F90 HydrophobicContact CD2-CZ 3.95Å; L74-I92 HydrophobicContact CD1-CD1 3.62Å; L74-I108 HydrophobicContact CD2-CD1 3.69Å
75T91.7Very high88.5Confident23 Ų2353.9 Ų53.914%0.14129%0.294CS..EExtended strand (participates in β ladder)trans-133.2147.6-170.358.20000112.5A16 T17 F63 T64A16-T75 CarbonylContact O-C 3.53Å; A16-T75 WeakPolarHBondContact O-CA 3.42Å; T17-T75 HydrophobicContact CG2-CG2 4.32Å; F63-T75 WeakPolarHBondContact CA-O 3.14Å; T64-T75 VanDerWaalsContact CG2-OG1 3.25Å; T64-T75 WeakPolarHBondContact CG2-OG1 3.18Å; T64-T75 PolarHBondContact N-O 2.67Å; T64-T75 PolarHBondContact O-N 2.69Å
76L92.2Very high88.4Confident2 Ų258.4 Ų58.41%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-68.5134.1-178.4-138.280.8000112.4I8 A12 G15 A16 F63 Q78 V80I8-L76 HydrophobicContact CD1-CD1 3.83Å; I8-L76 HydrophobicContact CG2-CD1 4.5Å; A12-L76 WeakPolarHBondContact O-CD2 3.45Å; G15-L76 PolarHBondContact N-O 2.9Å; A16-L76 PolarHBondContact O-N 3.11Å; F63-L76 HydrophobicContact CD1-CD1 3.93Å; F63-L76 HydrophobicContact CE1-CD1 3.53Å; L76-Q78 WeakPolarHBondContact CD2-O 3.42Å; L76-Q78 WeakPolarHBondContact CG-O 3.2Å; L76-V80 HydrophobicContact CD1-CG1 4Å; L76-V80 HydrophobicContact CD1-CG2 4.42Å
77L92Very high88.6Confident75 Ų7560.4 Ų60.439%0.39333%0.327SS..SBendtrans-105.4-31.4173.5-79.6-179.3000113.1V14 T60 S61 V62 T64V14-L77 VanDerWaalsContact CG1-O 3.29Å; V14-L77 WeakPolarHBondContact CG1-O 3.34Å; T60-L77 WeakPolarHBondContact O-CD1 3.28Å; S61-L77 WeakPolarHBondContact O-CB 3.14Å; V62-L77 PolarHBondContact O-N 2.79Å; T64-L77 HydrophobicContact CG2-CD1 4.42Å; T64-L77 HydrophobicContact CG2-CD2 3.76Å; T64-L77 HydrophobicContact CG2-CG 3.86Å
78Q89.8Confident89Confident95 Ų9556.1 Ų56.144%0.44430%0.297SS..SBendtrans-132.4150.6176.5-72.3175.7-35.300107.9S61 L76S61-Q78 VanDerWaalsContact O-CD 3.28Å; S61-Q78 VanDerWaalsContact O-CG 3.26Å; S61-Q78 WeakPolarHBondContact O-CG 3.37Å; S61-Q78 PolarHBondContact O-OE1 2.9Å; L76-Q78 WeakPolarHBondContact CD2-O 3.42Å; L76-Q78 WeakPolarHBondContact CG-O 3.2Å
79P90Very high89.4Confident99 Ų9955 Ų5564%0.64329%0.29SS*.  trans-51.3148.6168.5-22.433.9000110.7V14V14-P79 HydrophobicContact CG2-CG 4.27Å
80V90Very high90Very high10 Ų1054 Ų546%0.06128%0.278CS..  trans-111.9156.9168.4-63.30000108.2I8 E10 V62 F63 L76 Y88 V110I8-V80 HydrophobicContact CG2-CG2 4.42Å; E10-V80 HydrophobicContact CB-CG2 4.39Å; E10-V80 WeakPolarHBondContact CB-O 3.42Å; V62-V80 HydrophobicContact CG1-CG1 3.34Å; F63-V80 HydrophobicContact CE1-CG1 4.47Å; F63-V80 HydrophobicContact CZ-CG1 4.22Å; L76-V80 HydrophobicContact CD1-CG1 4Å; L76-V80 HydrophobicContact CD1-CG2 4.42Å; V80-Y88 HydrophobicContact CB-CE2 3.93Å; V80-Y88 HydrophobicContact CG1-CE2 3.61Å; V80-V110 HydrophobicContact CB-CG2 4.36Å; V80-V110 HydrophobicContact CG2-CG1 4Å; V80-V110 HydrophobicContact CG2-CG2 4.13Å
81D90.4Very high90.6Very high59 Ų5954.1 Ų54.132%0.31628%0.279SS..  trans-136.6123.6-173173.2-43.3000105.4E83 E84 Q85D81-E83 PolarHBondContact OD1-N 3.02Å; D81-E84 HydrophobicContact CB-CB 4.18Å; D81-E84 HydrophobicContact CB-CG 4.45Å; D81-E84 PolarHBondContact OD1-N 3.44Å; D81-Q85 PolarHBondContact O-N 3.42Å
82R92.1Very high90.8Very high14 Ų1452.4 Ų52.45%0.05327%0.268CS..Hα-helixtrans-79.2-29.8-172.3-166.8-146.866.4116.3-2.3111E10 Q86 V110 D112 A147 E149E10-R82 VanDerWaalsContact CD-CB 3.49Å; E10-R82 WeakPolarHBondContact OE1-CB 3.45Å; E10-R82 WeakPolarHBondContact OE2-CB 3.5Å; E10-R82 PolarHBondContact OE2-N 2.65Å; R82-Q86 HydrophobicContact CG-CG 4.21Å; R82-Q86 WeakPolarHBondContact O-CG 3.46Å; R82-Q86 PolarHBondContact O-N 2.83Å; R82-Q86 VanDerWaalsContact O-N 3.07Å; R82-V110 HydrophobicContact CB-CB 4.26Å; R82-V110 HydrophobicContact CB-CG1 3.72Å; R82-V110 HydrophobicContact CG-CB 4.11Å; R82-V110 HydrophobicContact CG-CG1 4.01Å; R82-D112 VanDerWaalsContact CD-OD1 3.3Å; R82-D112 WeakPolarHBondContact CD-OD1 3.19Å; R82-D112 IonicContact CZ-OD1 3.76Å; R82-D112 IonicContact NE-OD1 3.38Å; R82-D112 PolarHBondContact NE-OD1 2.85Å; R82-D112 IonicContact NH2-OD1 3.77Å; R82-A147 PolarHBondContact NH2-O 2.87Å; R82-E149 IonicContact CZ-OE2 3.62Å; R82-E149 VanDerWaalsContact NH1-CB 3.29Å; R82-E149 VanDerWaalsContact NH1-CG 3.33Å; R82-E149 IonicContact NH1-OE2 3.83Å; R82-E149 PolarHBondContact NH1-OE2 2.89Å
83E89Confident90.9Very high58 Ų5853.1 Ų53.127%0.27127%0.273SS..Hα-helixtrans-70.8-37.9176.3-73.961.7-109.700111.5D81 N116 A147D81-E83 PolarHBondContact OD1-N 3.02Å; E83-N116 VanDerWaalsContact CD-ND2 3.29Å; E83-N116 PolarHBondContact OE2-ND2 3.15Å; E83-A147 HydrophobicContact CG-CB 3.53Å
84E86.9Confident90.8Very high169 Ų16950 Ų5079%0.7926%0.263SS*.Hα-helixtrans-71.4-50.6168.5-74.2-155.9155.700111.8D81D81-E84 HydrophobicContact CB-CB 4.18Å; D81-E84 HydrophobicContact CB-CG 4.45Å; D81-E84 PolarHBondContact OD1-N 3.44Å
85Q89.5Confident90.6Very high64 Ų6452.8 Ų52.830%0.29928%0.276SS..Hα-helixtrans-151.185.6-176.9-162.9177.1-26.700116.1Y59 D81 T87 Y88 V110Y59-Q85 PolarHBondContact OH-NE2 3.01Å; D81-Q85 PolarHBondContact O-N 3.42Å; Q85-T87 WeakPolarHBondContact CG-O 3.48Å; Q85-T87 PolarHBondContact NE2-O 3.39Å; Q85-T87 PolarHBondContact O-N 3.38Å; Q85-Y88 HydrophobicContact CB-CE1 4.17Å; Q85-Y88 VanDerWaalsContact CD-CE1 3.43Å; Q85-Y88 HydrophobicContact CG-CD1 4.39Å; Q85-Y88 HydrophobicContact CG-CE1 4.05Å; Q85-Y88 VanDerWaalsContact NE2-CD1 3.32Å; Q85-V110 WeakPolarHBondContact O-CG2 3.36Å
86Q89.4Confident90.3Very high108 Ų10854.7 Ų54.751%0.50529%0.285SS..SBendtrans-46-28.8174-57.1-178.1-10.300117.1R82 V110R82-Q86 HydrophobicContact CG-CG 4.21Å; R82-Q86 WeakPolarHBondContact O-CG 3.46Å; R82-Q86 PolarHBondContact O-N 2.83Å; R82-Q86 VanDerWaalsContact O-N 3.07Å; Q86-V110 PolarHBondContact O-N 3.32Å
87T92.3Very high89.6Confident79 Ų7957 Ų5749%0.48531%0.309SS..EExtended strand (participates in β ladder)trans-146.3138.2-178.350.30000113.4Q85 I108 R109Q85-T87 WeakPolarHBondContact CG-O 3.48Å; Q85-T87 PolarHBondContact NE2-O 3.39Å; Q85-T87 PolarHBondContact O-N 3.38Å; T87-I108 CarbonylContact C-O 3.58Å; T87-I108 VanDerWaalsContact CA-O 3.3Å; T87-I108 WeakPolarHBondContact CA-O 3.47Å; T87-R109 HydrophobicContact CG2-CB 4.29Å; T87-R109 HydrophobicContact CG2-CG 4.39Å
88Y92.7Very high89.1Confident16 Ų1659.5 Ų59.56%0.06333%0.327CS..EExtended strand (participates in β ladder)trans-113132.1172.7-59.9-84.6000109.9Y59 F63 V80 Q85 I108 V110Y59-Y88 AromaticContact CD1-CD1 3.57Å; Y59-Y88 HydrophobicContact CD1-CD1 3.57Å; Y59-Y88 HydrophobicContact CD1-CE1 4.02Å; Y59-Y88 HydrophobicContact CD2-CD1 4.26Å; Y59-Y88 AromaticContact CE1-CD1 3.55Å; Y59-Y88 HydrophobicContact CE1-CD1 3.55Å; Y59-Y88 AromaticContact CE1-CE1 3.99Å; Y59-Y88 HydrophobicContact CE1-CE1 3.99Å; Y59-Y88 HydrophobicContact CE2-CD1 4.24Å; Y59-Y88 AromaticContact CG-CD1 3.95Å; Y59-Y88 HydrophobicContact CG-CD1 3.95Å; Y59-Y88 AromaticContact CZ-CD1 3.9Å; F63-Y88 HydrophobicContact CE2-CD1 4.04Å; F63-Y88 AromaticContact CE2-CD2 3.87Å; F63-Y88 HydrophobicContact CE2-CD2 3.87Å; F63-Y88 HydrophobicContact CE2-CE2 4.46Å; F63-Y88 AromaticContact CE2-CG 3.62Å; F63-Y88 HydrophobicContact CE2-CG 3.62Å; F63-Y88 HydrophobicContact CZ-CD1 4.49Å; F63-Y88 AromaticContact CZ-CD2 3.55Å; F63-Y88 HydrophobicContact CZ-CD2 3.55Å; F63-Y88 AromaticContact CZ-CE2 4Å; F63-Y88 HydrophobicContact CZ-CE2 4Å; F63-Y88 AromaticContact CZ-CG 3.82Å; F63-Y88 HydrophobicContact CZ-CG 3.82Å; V80-Y88 HydrophobicContact CB-CE2 3.93Å; V80-Y88 HydrophobicContact CG1-CE2 3.61Å; Q85-Y88 HydrophobicContact CB-CE1 4.17Å; Q85-Y88 VanDerWaalsContact CD-CE1 3.43Å; Q85-Y88 HydrophobicContact CG-CD1 4.39Å; Q85-Y88 HydrophobicContact CG-CE1 4.05Å; Q85-Y88 VanDerWaalsContact NE2-CD1 3.32Å; Y88-I108 PolarHBondContact N-O 2.94Å; Y88-I108 PolarHBondContact O-N 2.99Å; Y88-V110 HydrophobicContact CD2-CG2 3.89Å; Y88-V110 HydrophobicContact CE2-CG2 3.5Å; Y88-V110 VanDerWaalsContact CE2-CG2 3.5Å
89T93.1Very high88.7Confident77 Ų7760.8 Ų60.847%0.47233%0.333SS..EExtended strand (participates in β ladder)trans-130.8119-179.8-60.40000110.1V105 V106 N107T89-V105 HydrophobicContact CG2-CG1 4.15Å; T89-V106 WeakPolarHBondContact CA-O 3.31Å; T89-N107 WeakPolarHBondContact CG2-OD1 3.4Å
90F92.6Very high88.5Confident4 Ų463 Ų632%0.01834%0.335CS..EExtended strand (participates in β ladder)trans-143176.9179.855.8-89.1000111.4L56 N57 D58 Y59 F63 L74 I92 V105 V106 I108L56-F90 HydrophobicContact CB-CD2 4.23Å; L56-F90 HydrophobicContact CB-CE2 4.46Å; L56-F90 HydrophobicContact CD2-CD2 4.03Å; L56-F90 HydrophobicContact CD2-CE2 3.53Å; L56-F90 HydrophobicContact CD2-CZ 3.95Å; L56-F90 HydrophobicContact CG-CD2 3.96Å; L56-F90 HydrophobicContact CG-CE2 3.7Å; N57-F90 WeakPolarHBondContact OD1-CB 3.12Å; D58-F90 HydrophobicContact CB-CB 4.13Å; Y59-F90 HydrophobicContact CD2-CB 4.19Å; Y59-F90 AromaticContact CD2-CD1 3.95Å; Y59-F90 HydrophobicContact CD2-CD1 3.95Å; Y59-F90 HydrophobicContact CD2-CG 4.5Å; F63-F90 AromaticContact CD2-CE1 3.89Å; F63-F90 HydrophobicContact CD2-CE1 3.89Å; F63-F90 HydrophobicContact CD2-CZ 4.43Å; F63-F90 HydrophobicContact CE2-CE1 4.23Å; L74-F90 HydrophobicContact CD1-CE2 3.87Å; L74-F90 HydrophobicContact CD1-CZ 3.73Å; L74-F90 HydrophobicContact CD2-CZ 3.95Å; F90-I92 HydrophobicContact CD2-CG1 4.27Å; F90-I92 HydrophobicContact CE2-CD1 4.12Å; F90-I92 HydrophobicContact CE2-CG1 3.98Å; F90-V105 CarbonylContact O-C 3.59Å; F90-V106 HydrophobicContact CD2-CB 3.99Å; F90-V106 HydrophobicContact CD2-CG2 4.24Å; F90-V106 HydrophobicContact CE1-CB 4.32Å; F90-V106 HydrophobicContact CE1-CG1 4.22Å; F90-V106 HydrophobicContact CE2-CB 3.6Å; F90-V106 HydrophobicContact CE2-CG1 3.91Å; F90-V106 HydrophobicContact CE2-CG2 3.81Å; F90-V106 HydrophobicContact CG-CB 4.48Å; F90-V106 HydrophobicContact CZ-CB 3.79Å; F90-V106 HydrophobicContact CZ-CG1 3.63Å; F90-V106 HydrophobicContact CZ-CG2 4.39Å; F90-V106 PolarHBondContact N-O 2.97Å; F90-V106 PolarHBondContact O-N 3.24Å; F90-I108 HydrophobicContact CE1-CD1 3.62Å; F90-I108 HydrophobicContact CE1-CG1 4.13Å; F90-I108 HydrophobicContact CZ-CD1 3.88Å; F90-I108 HydrophobicContact CZ-CG1 4.47Å
91L92.4Very high88.3Confident57 Ų5764.8 Ų64.830%0.29835%0.348SS..EExtended strand (participates in β ladder)trans-110140.3176-57.8176.5000109.7L56 N57 P103 V104 V105L56-L91 WeakPolarHBondContact CA-O 3.43Å; N57-L91 HydrophobicContact CB-CB 4.27Å; N57-L91 PolarHBondContact N-O 2.94Å; N57-L91 PolarHBondContact OD1-N 2.73Å; N57-L91 PolarHBondContact OD1-O 2.9Å; L91-P103 HydrophobicContact CB-CB 4.13Å; L91-P103 HydrophobicContact CD1-CB 3.99Å; L91-P103 HydrophobicContact CD2-CB 4.37Å; L91-P103 HydrophobicContact CG-CB 4.4Å; L91-V104 CarbonylContact C-O 3.55Å; L91-V104 WeakPolarHBondContact CA-O 3.49Å; L91-V105 HydrophobicContact CD2-CB 4.39Å; L91-V105 HydrophobicContact CD2-CG2 3.75Å
92I90.6Very high88.2Confident6 Ų669.5 Ų69.53%0.03137%0.368CS..EExtended strand (participates in β ladder)trans-108.2137.5165.2-79.1-175.6000110.1I30 L54 F55 L56 V65 L74 F90 V104 V106I30-I92 HydrophobicContact CD1-CD1 3.72Å; L54-I92 HydrophobicContact CD2-CG2 3.6Å; F55-I92 WeakPolarHBondContact O-CA 3.35Å; L56-I92 HydrophobicContact CD1-CD1 4.19Å; L56-I92 HydrophobicContact CD1-CG1 4.18Å; L56-I92 HydrophobicContact CG-CD1 4.25Å; L56-I92 HydrophobicContact CG-CG1 3.96Å; V65-I92 HydrophobicContact CG2-CD1 4.08Å; L74-I92 HydrophobicContact CD1-CD1 3.62Å; F90-I92 HydrophobicContact CD2-CG1 4.27Å; F90-I92 HydrophobicContact CE2-CD1 4.12Å; F90-I92 HydrophobicContact CE2-CG1 3.98Å; I92-V104 PolarHBondContact N-O 3.47Å; I92-V104 PolarHBondContact O-N 2.87Å; I92-V106 HydrophobicContact CB-CG2 4.18Å; I92-V106 HydrophobicContact CD1-CG2 3.81Å; I92-V106 HydrophobicContact CG1-CG2 3.84Å
93T90.2Very high88.1Confident23 Ų2371.1 Ų71.114%0.14138%0.381CS..EExtended strand (participates in β ladder)trans-128.5130.3178.7-23.90000108.4L54 F55 E100 S101 P103L54-T93 WeakPolarHBondContact CA-O 3.47Å; F55-T93 PolarHBondContact N-O 2.71Å; F55-T93 PolarHBondContact O-N 2.83Å; T93-E100 HydrophobicContact CG2-CB 4.27Å; T93-S101 WeakPolarHBondContact CG2-O 3.3Å; T93-P103 HydrophobicContact CG2-CG 4.38Å
94A88.5Confident88.1Confident12 Ų1269.8 Ų69.810%0.09938%0.376CS..EExtended strand (participates in β ladder)trans-96.6144.8174.900000110.5A32 H53 L54 E100 S101A32-A94 HydrophobicContact CB-CB 3.95Å; H53-A94 CarbonylContact O-C 3.52Å; H53-A94 WeakPolarHBondContact O-CA 3.47Å; L54-A94 HydrophobicContact CD2-CB 3.67Å; A94-E100 CarbonylContact O-C 3.51Å; A94-E100 VanDerWaalsContact O-CA 3.29Å; A94-E100 WeakPolarHBondContact O-CA 3.31Å; A94-S101 PolarHBondContact N-OG 2.57Å; A94-S101 PolarHBondContact O-N 2.8Å
95F88.2Confident88.3Confident58 Ų5863.1 Ų63.125%0.25435%0.347SS..EExtended strand (participates in β ladder)trans-137.4128.2-177.6178.1-116.2000110.6H53 F55 G97 Q99 E100H53-F95 PolarHBondContact N-O 3.08Å; H53-F95 PolarHBondContact O-N 2.95Å; F55-F95 HydrophobicContact CD2-CB 4.21Å; F55-F95 HydrophobicContact CE2-CB 3.84Å; F55-F95 HydrophobicContact CE2-CD1 4.09Å; F55-F95 HydrophobicContact CE2-CG 4.25Å; F95-G97 VanDerWaalsContact CE1-CA 3.49Å; F95-G97 VanDerWaalsContact CZ-C 3.4Å; F95-Q99 WeakPolarHBondContact CA-O 3.42Å; F95-Q99 VanDerWaalsContact CD2-O 3.26Å; F95-Q99 WeakPolarHBondContact CD2-O 3.45Å; F95-E100 HydrophobicContact CB-CG 4.47Å; F95-E100 HydrophobicContact CD2-CG 3.69Å; F95-E100 HydrophobicContact CE2-CG 4.42Å; F95-E100 HydrophobicContact CG-CG 4.47Å
96D83.6Confident88.4Confident63 Ų6360.1 Ų60.134%0.33733%0.333SS..  trans-96.1-7.6-17959.533000113.9L52 V98 Q99L52-D96 HydrophobicContact CD2-CB 3.52Å; D96-V98 VanDerWaalsContact OD1-CA 3.31Å; D96-V98 WeakPolarHBondContact OD1-CA 3.23Å; D96-V98 WeakPolarHBondContact OD1-CB 3.2Å; D96-V98 PolarHBondContact OD1-N 2.78Å; D96-Q99 PolarHBondContact N-O 3.2Å; D96-Q99 PolarHBondContact OD1-N 3.01Å
97G78.8Confident88.6Confident50 Ų5056.8 Ų56.852%0.51532%0.319SS..SBendtrans108.9-13.1-171.300000114.3F95F95-G97 VanDerWaalsContact CE1-CA 3.49Å; F95-G97 VanDerWaalsContact CZ-C 3.4Å
98V80.1Confident88.6Confident128 Ų12853 Ų5378%0.77630%0.296SS*.SBendtrans-134.6-41.5-173.4-1720000112.1D96D96-V98 VanDerWaalsContact OD1-CA 3.31Å; D96-V98 WeakPolarHBondContact OD1-CA 3.23Å; D96-V98 WeakPolarHBondContact OD1-CB 3.2Å; D96-V98 PolarHBondContact OD1-N 2.78Å
99Q83.2Confident88.6Confident123 Ų12356.7 Ų56.758%0.57531%0.309SS*.  trans-127.1150.3179.3-70.1175.2103.300111.9F95 D96F95-Q99 WeakPolarHBondContact CA-O 3.42Å; F95-Q99 VanDerWaalsContact CD2-O 3.26Å; F95-Q99 WeakPolarHBondContact CD2-O 3.45Å; D96-Q99 PolarHBondContact N-O 3.2Å; D96-Q99 PolarHBondContact OD1-N 3.01Å
100E84.4Confident88.5Confident144 Ų14453 Ų5367%0.67329%0.287SS*.BIsolated β-bridgetrans-103.5145.8168.5-68.5178.5-178.900110T93 A94 F95T93-E100 HydrophobicContact CG2-CB 4.27Å; A94-E100 CarbonylContact O-C 3.51Å; A94-E100 VanDerWaalsContact O-CA 3.29Å; A94-E100 WeakPolarHBondContact O-CA 3.31Å; F95-E100 HydrophobicContact CB-CG 4.47Å; F95-E100 HydrophobicContact CD2-CG 3.69Å; F95-E100 HydrophobicContact CE2-CG 4.42Å; F95-E100 HydrophobicContact CG-CG 4.47Å
101S86.8Confident88.3Confident49 Ų4954.9 Ų54.934%0.34330%0.296SS..PPolyproline II helixtrans-73.8158.7173.275.70000112T93 A94T93-S101 WeakPolarHBondContact CG2-O 3.3Å; A94-S101 PolarHBondContact N-OG 2.57Å; A94-S101 PolarHBondContact O-N 2.8Å
102E87.6Confident88.2Confident158 Ų15853.5 Ų53.574%0.73829%0.289SS*.PPolyproline II helixtrans-52.4133.3159.5-73.5-69.7146.800109.9
103P89.3Confident88Confident48 Ų4853.7 Ų53.731%0.31229%0.292SS..PPolyproline II helixtrans-65.5134.6-179.5-2333.5000112.8L91 T93L91-P103 HydrophobicContact CB-CB 4.13Å; L91-P103 HydrophobicContact CD1-CB 3.99Å; L91-P103 HydrophobicContact CD2-CB 4.37Å; L91-P103 HydrophobicContact CG-CB 4.4Å; T93-P103 HydrophobicContact CG2-CG 4.38Å
104V90.2Very high87.9Confident29 Ų2953.3 Ų53.318%0.17629%0.289CS..EExtended strand (participates in β ladder)trans-107.5128.7179.1-174.80000109.7P2 Y4 L91 I92P2-V104 HydrophobicContact CB-CG1 4.21Å; P2-V104 HydrophobicContact CG-CG1 4.19Å; P2-V104 HydrophobicContact CG-CG2 4.2Å; Y4-V104 HydrophobicContact CD2-CG1 3.63Å; Y4-V104 HydrophobicContact CE2-CB 4.47Å; Y4-V104 HydrophobicContact CE2-CG1 3.73Å; L91-V104 CarbonylContact C-O 3.55Å; L91-V104 WeakPolarHBondContact CA-O 3.49Å; I92-V104 PolarHBondContact N-O 3.47Å; I92-V104 PolarHBondContact O-N 2.87Å
105V91.2Very high87.9Confident30 Ų3056 Ų5618%0.18230%0.301CS..EExtended strand (participates in β ladder)trans-69.6137.4178.3-177.40000110.2S3 Y4 T89 F90 L91 N107S3-V105 CarbonylContact C-O 3.53Å; S3-V105 WeakPolarHBondContact CA-O 3.37Å; Y4-V105 PolarHBondContact N-O 3.02Å; T89-V105 HydrophobicContact CG2-CG1 4.15Å; F90-V105 CarbonylContact O-C 3.59Å; L91-V105 HydrophobicContact CD2-CB 4.39Å; L91-V105 HydrophobicContact CD2-CG2 3.75Å; V105-N107 VanDerWaalsContact CG1-OD1 3.28Å; V105-N107 WeakPolarHBondContact CG1-OD1 3.44Å
106V91.9Very high87.9Confident0 Ų055.9 Ų55.90%030%0.303CS..EExtended strand (participates in β ladder)trans-121.2116.3169-171.80000107.7Y4 L28 T89 F90 I92 I108Y4-V106 HydrophobicContact CD2-CG2 4.34Å; Y4-V106 WeakPolarHBondContact O-CA 3.29Å; L28-V106 HydrophobicContact CD2-CG1 4.47Å; T89-V106 WeakPolarHBondContact CA-O 3.31Å; F90-V106 HydrophobicContact CD2-CB 3.99Å; F90-V106 HydrophobicContact CD2-CG2 4.24Å; F90-V106 HydrophobicContact CE1-CB 4.32Å; F90-V106 HydrophobicContact CE1-CG1 4.22Å; F90-V106 HydrophobicContact CE2-CB 3.6Å; F90-V106 HydrophobicContact CE2-CG1 3.91Å; F90-V106 HydrophobicContact CE2-CG2 3.81Å; F90-V106 HydrophobicContact CG-CB 4.48Å; F90-V106 HydrophobicContact CZ-CB 3.79Å; F90-V106 HydrophobicContact CZ-CG1 3.63Å; F90-V106 HydrophobicContact CZ-CG2 4.39Å; F90-V106 PolarHBondContact N-O 2.97Å; F90-V106 PolarHBondContact O-N 3.24Å; I92-V106 HydrophobicContact CB-CG2 4.18Å; I92-V106 HydrophobicContact CD1-CG2 3.81Å; I92-V106 HydrophobicContact CG1-CG2 3.84Å; V106-I108 HydrophobicContact CG1-CG1 4.17Å
107N92.5Very high88.2Confident38 Ų3855 Ų5520%0.20330%0.3CS..EExtended strand (participates in β ladder)trans-106.9115.6172.6-46.1-59.1000108.1Y4 Q5 G6 T89 V105Y4-N107 PolarHBondContact O-N 2.68Å; Q5-N107 WeakPolarHBondContact CA-O 3.23Å; Q5-N107 PolarHBondContact OE1-ND2 3.04Å; G6-N107 PolarHBondContact N-O 3.37Å; T89-N107 WeakPolarHBondContact CG2-OD1 3.4Å; V105-N107 VanDerWaalsContact CG1-OD1 3.28Å; V105-N107 WeakPolarHBondContact CG1-OD1 3.44Å
108I92.4Very high88.8Confident1 Ų152.6 Ų52.61%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-101.9124172-55174.9000107.8G6 I8 I18 F63 L74 T87 Y88 F90 V106G6-I108 CarbonylContact O-C 3.49Å; G6-I108 WeakPolarHBondContact O-CA 3.34Å; I8-I108 HydrophobicContact CG2-CG2 3.92Å; I18-I108 HydrophobicContact CD1-CD1 3.92Å; I18-I108 HydrophobicContact CD1-CG2 4.07Å; I18-I108 HydrophobicContact CG1-CD1 3.98Å; I18-I108 HydrophobicContact CG2-CG1 4.45Å; F63-I108 HydrophobicContact CD1-CD1 3.81Å; F63-I108 HydrophobicContact CD2-CD1 4.08Å; F63-I108 HydrophobicContact CE1-CD1 3.54Å; F63-I108 HydrophobicContact CE2-CD1 3.84Å; F63-I108 HydrophobicContact CG-CD1 4.08Å; F63-I108 HydrophobicContact CZ-CD1 3.58Å; L74-I108 HydrophobicContact CD2-CD1 3.69Å; T87-I108 CarbonylContact C-O 3.58Å; T87-I108 VanDerWaalsContact CA-O 3.3Å; T87-I108 WeakPolarHBondContact CA-O 3.47Å; Y88-I108 PolarHBondContact N-O 2.94Å; Y88-I108 PolarHBondContact O-N 2.99Å; F90-I108 HydrophobicContact CE1-CD1 3.62Å; F90-I108 HydrophobicContact CE1-CG1 4.13Å; F90-I108 HydrophobicContact CZ-CD1 3.88Å; F90-I108 HydrophobicContact CZ-CG1 4.47Å; V106-I108 HydrophobicContact CG1-CG1 4.17Å
109R92Very high89.3Confident93 Ų9350.2 Ų50.235%0.35126%0.262SS..EExtended strand (participates in β ladder)trans-91.8125164.3177.2168.4-176.7-172.30.9108.9G6 Y7 I8 T87 E149G6-R109 PolarHBondContact O-N 2.94Å; Y7-R109 WeakPolarHBondContact CA-O 3.35Å; Y7-R109 HydrophobicContact CD1-CB 4.08Å; Y7-R109 HydrophobicContact CE1-CB 4.25Å; I8-R109 PolarHBondContact N-O 3.34Å; T87-R109 HydrophobicContact CG2-CB 4.29Å; T87-R109 HydrophobicContact CG2-CG 4.39Å; R109-E149 IonicContact CZ-OE1 3.93Å; R109-E149 IonicContact NH2-OE1 2.63Å; R109-E149 PolarHBondContact NH2-OE1 3.09Å; R109-E149 IonicContact NH2-OE2 2.67Å; R109-E149 PolarHBondContact NH2-OE2 3Å
110V91.7Very high89.7Confident0 Ų045.1 Ų45.10%024%0.237CC..EExtended strand (participates in β ladder)trans-69.8129.6164.7-171.70000107.2E10 V80 R82 Q85 Q86 Y88E10-V110 HydrophobicContact CB-CG1 3.75Å; V80-V110 HydrophobicContact CB-CG2 4.36Å; V80-V110 HydrophobicContact CG2-CG1 4Å; V80-V110 HydrophobicContact CG2-CG2 4.13Å; R82-V110 HydrophobicContact CB-CB 4.26Å; R82-V110 HydrophobicContact CB-CG1 3.72Å; R82-V110 HydrophobicContact CG-CB 4.11Å; R82-V110 HydrophobicContact CG-CG1 4.01Å; Q85-V110 WeakPolarHBondContact O-CG2 3.36Å; Q86-V110 PolarHBondContact O-N 3.32Å; Y88-V110 HydrophobicContact CD2-CG2 3.89Å; Y88-V110 HydrophobicContact CE2-CG2 3.5Å; Y88-V110 VanDerWaalsContact CE2-CG2 3.5Å
111M89.2Confident89.8Confident42 Ų4242.6 Ų42.621%0.20723%0.233CC..EExtended strand (participates in β ladder)trans-98.4138174.4-75.7-176.557.800109.2I8 L9 E10 L22 L24I8-M111 PolarHBondContact O-N 3.42Å; L9-M111 WeakPolarHBondContact CA-O 3.34Å; L9-M111 HydrophobicContact CD1-CB 3.7Å; L9-M111 HydrophobicContact CD1-CE 3.9Å; L9-M111 HydrophobicContact CD1-SD 4.49Å; L9-M111 HydrophobicContact CG-CB 4.43Å; E10-M111 PolarHBondContact N-O 2.89Å; E10-M111 VanDerWaalsContact N-O 3.09Å; L22-M111 WeakPolarHBondContact O-CE 3.38Å; L24-M111 HydrophobicContact CD2-SD 3.88Å; L24-M111 HydrophobicContact CG-SD 4.21Å
112D88.9Confident89.8Confident29 Ų2945.8 Ų45.816%0.15524%0.243CC..PPolyproline II helixtrans-58.4136.8-179.2-160.780.6000113.6E10 R82 E149 N152E10-D112 WeakPolarHBondContact OE1-CA 3.46Å; R82-D112 VanDerWaalsContact CD-OD1 3.3Å; R82-D112 WeakPolarHBondContact CD-OD1 3.19Å; R82-D112 IonicContact CZ-OD1 3.76Å; R82-D112 IonicContact NE-OD1 3.38Å; R82-D112 PolarHBondContact NE-OD1 2.85Å; R82-D112 IonicContact NH2-OD1 3.77Å; D112-E149 HydrophobicContact CB-CB 3.75Å; D112-E149 VanDerWaalsContact CG-CB 3.49Å; D112-E149 WeakPolarHBondContact OD1-CA 3.3Å; D112-E149 VanDerWaalsContact OD1-CB 3.26Å; D112-E149 WeakPolarHBondContact OD1-CB 3.23Å; D112-E149 PolarHBondContact OD1-N 2.97Å; D112-E149 PolarHBondContact OD2-N 2.95Å; D112-N152 WeakPolarHBondContact OD2-CB 3.35Å; D112-N152 PolarHBondContact OD2-ND2 2.96Å
113A87Confident89.8Confident10 Ų1045.2 Ų45.28%0.08324%0.243CC..  trans-125.8151.4161.100000109L9 E10 S11 D115L9-A113 HydrophobicContact CD2-CB 3.97Å; L9-A113 HydrophobicContact CG-CB 4.26Å; E10-A113 HydrophobicContact CG-CB 3.83Å; E10-A113 PolarHBondContact OE1-N 2.61Å; S11-A113 WeakPolarHBondContact OG-CB 3.4Å; A113-D115 VanDerWaalsContact C-N 3.33Å; A113-D115 WeakPolarHBondContact O-CB 3.48Å; A113-D115 PolarHBondContact O-N 3.42Å
114N88.7Confident89.8Confident15 Ų1545 Ų458%0.0824%0.244CC..SBendtrans-69.891.4178.7-155.367.6000109.2D148 N152 D198 A200 E204 R206N114-D148 VanDerWaalsContact CA-OD2 3.23Å; N114-D148 WeakPolarHBondContact CA-OD2 3.38Å; N114-N152 HydrophobicContact CB-CB 4.37Å; N114-N152 PolarHBondContact N-ND2 3.25Å; N114-N152 WeakPolarHBondContact OD1-CA 3.41Å; N114-N152 WeakPolarHBondContact OD1-CB 3.38Å; N114-D198 PolarHBondContact ND2-OD2 2.77Å; N114-D198 PolarHBondContact OD1-OD2 2.97Å; N114-A200 HydrophobicContact CB-CB 4.08Å; N114-A200 WeakPolarHBondContact OD1-CB 3.08Å; N114-E204 PolarHBondContact ND2-O 3.23Å; N114-R206 WeakPolarHBondContact ND2-CG 3.47Å; N114-R206 PolarHBondContact O-NE 2.61Å; N114-R206 PolarHBondContact O-NH2 3.28Å
115D87.8Confident89.8Confident68 Ų6845.2 Ų45.236%0.36424%0.241SC..  trans-119.6-41.3-160.5-164.6-85.2000112.7A113 D148 R206A113-D115 VanDerWaalsContact C-N 3.33Å; A113-D115 WeakPolarHBondContact O-CB 3.48Å; A113-D115 PolarHBondContact O-N 3.42Å; D115-D148 PolarHBondContact N-OD2 3.47Å; D115-R206 VanDerWaalsContact CA-NH2 3.3Å; D115-R206 PolarHBondContact O-NH1 2.81Å; D115-R206 PolarHBondContact O-NH2 2.97Å
116N88.3Confident89.6Confident56 Ų5649.7 Ų49.730%0.29926%0.264SS..SBendtrans-79.7-158.1170.9-67.5-92.2000110.1E83 D146 A147 D148 R206E83-N116 VanDerWaalsContact CD-ND2 3.29Å; E83-N116 PolarHBondContact OE2-ND2 3.15Å; N116-D146 WeakPolarHBondContact CB-OD1 3.46Å; N116-A147 HydrophobicContact CB-CB 4.25Å; N116-D148 WeakPolarHBondContact CB-OD1 3.36Å; N116-D148 PolarHBondContact N-OD1 3.26Å; N116-D148 PolarHBondContact N-OD2 2.97Å; N116-D148 PolarHBondContact ND2-OD1 2.71Å; N116-R206 WeakPolarHBondContact O-CD 3.28Å; N116-R206 PolarHBondContact O-NH1 2.89Å; N116-R206 VanDerWaalsContact O-NH1 3.16Å
117T89.1Confident89.3Confident43 Ų4350.6 Ų50.626%0.26427%0.269SS..  trans-162.4138.7-179.8-66.70000109.5T119 D146 R206T117-T119 PolarHBondContact O-N 2.99Å; T117-T119 PolarHBondContact O-OG1 3.13Å; T117-D146 WeakPolarHBondContact CA-OD2 3.42Å; T117-D146 PolarHBondContact N-OD1 2.93Å; T117-R206 HydrophobicContact CG2-CB 4.22Å
118P91.9Very high89Confident0 Ų055.3 Ų55.30%029%0.286CS..  trans-67.3106.4-173.4-19.830.1000110.5A144 D146 I155 A196 D198 S208P118-A144 HydrophobicContact CB-CB 4.3Å; P118-D146 WeakPolarHBondContact CA-OD2 3.45Å; P118-D146 HydrophobicContact CB-CB 4.43Å; P118-D146 WeakPolarHBondContact CD-OD2 3.33Å; P118-D146 HydrophobicContact CG-CB 4.4Å; P118-D146 WeakPolarHBondContact CG-OD2 3.38Å; P118-I155 HydrophobicContact CB-CD1 4.11Å; P118-I155 HydrophobicContact CB-CG1 4.05Å; P118-I155 HydrophobicContact CB-CG2 3.96Å; P118-I155 HydrophobicContact CG-CG1 4.43Å; P118-A196 HydrophobicContact CB-CB 3.71Å; P118-D198 HydrophobicContact CG-CB 4.28Å; P118-S208 WeakPolarHBondContact O-CB 3.32Å; P118-S208 PolarHBondContact O-OG 2.78Å
119T90.5Very high88.6Confident79 Ų7955.3 Ų55.349%0.48529%0.285SS..BIsolated β-bridgetrans-110.6123.5-167.3-63.60000111.3T117 A144 V145T117-T119 PolarHBondContact O-N 2.99Å; T117-T119 PolarHBondContact O-OG1 3.13Å; T119-A144 CarbonylContact O-C 3.5Å; T119-A144 VanDerWaalsContact O-CA 3.29Å; T119-A144 WeakPolarHBondContact O-CA 3.48Å; T119-V145 PolarHBondContact N-O 3.09Å; T119-V145 PolarHBondContact O-N 3.44Å
120F91.8Very high88Confident15 Ų1553.7 Ų53.77%0.06628%0.28CS..  trans-74.5137.8173.3-64.1-78.2000111.3E122 L142 A144 Y157 V194 A196 S208 C210F120-E122 VanDerWaalsContact C-N 3.26Å; F120-E122 PolarHBondContact O-N 2.88Å; F120-L142 HydrophobicContact CD1-CB 4.47Å; F120-L142 HydrophobicContact CE1-CB 3.96Å; F120-A144 HydrophobicContact CD1-CB 3.78Å; F120-A144 HydrophobicContact CE1-CB 3.88Å; F120-A144 HydrophobicContact CG-CB 4.14Å; F120-A144 HydrophobicContact CZ-CB 4.35Å; F120-Y157 HydrophobicContact CE1-CD1 4.11Å; F120-Y157 AromaticContact CE1-CE1 3.95Å; F120-Y157 HydrophobicContact CE1-CE1 3.95Å; F120-Y157 HydrophobicContact CZ-CD1 4.17Å; F120-Y157 HydrophobicContact CZ-CE1 4.34Å; F120-V194 HydrophobicContact CZ-CG1 4.14Å; F120-A196 HydrophobicContact CD2-CB 4.46Å; F120-A196 HydrophobicContact CE1-CB 4.09Å; F120-A196 HydrophobicContact CE2-CB 3.62Å; F120-A196 HydrophobicContact CZ-CB 3.41Å; F120-A196 VanDerWaalsContact CZ-CB 3.41Å; F120-S208 WeakPolarHBondContact CD2-OG 3.48Å; F120-C210 HydrophobicContact CB-CB 4.02Å; F120-C210 HydrophobicContact CD1-CB 4.36Å; F120-C210 HydrophobicContact CD2-CB 3.59Å; F120-C210 HydrophobicContact CE2-CB 4.07Å; F120-C210 HydrophobicContact CG-CB 3.74Å
121P87.7Confident87.4Confident91 Ų9156.1 Ų56.159%0.59129%0.294SS*.SBendtrans-56.8-34.7174.6-29.435.4000114.6T143P121-T143 WeakPolarHBondContact CD-O 3.35Å
122E86.1Confident86.8Confident116 Ų11656.5 Ų56.554%0.54230%0.298SS..  trans-124.1140.7176.2-58.6-174.1-148.200111.4F120 S124 Y125F120-E122 VanDerWaalsContact C-N 3.26Å; F120-E122 PolarHBondContact O-N 2.88Å; E122-S124 VanDerWaalsContact C-N 3.27Å; E122-S124 PolarHBondContact O-N 2.88Å; E122-Y125 HydrophobicContact CB-CD1 4.37Å; E122-Y125 HydrophobicContact CB-CE1 3.83Å; E122-Y125 HydrophobicContact CB-CE2 4.28Å; E122-Y125 HydrophobicContact CG-CE1 4.25Å; E122-Y125 PolarHBondContact N-OH 2.98Å; E122-Y125 VanDerWaalsContact O-CE2 3.31Å; E122-Y125 WeakPolarHBondContact O-CE2 3.21Å
123I86.8Confident86.2Confident146 Ų14657.2 Ų57.275%0.74930%0.3SS*.SBendtrans-71.5-21.7177.624.4172.7000112.7C210 T211I123-C210 WeakPolarHBondContact O-CA 3.27Å; I123-T211 PolarHBondContact O-N 3.01Å
124S90.1Very high85.8Confident45 Ų4559.8 Ų59.832%0.31532%0.318SS..EExtended strand (participates in β ladder)trans-147.8144.2176.353.30000111.4E122 T211E122-S124 VanDerWaalsContact C-N 3.27Å; E122-S124 PolarHBondContact O-N 2.88Å; S124-T211 CarbonylContact C-O 3.16Å; S124-T211 WeakPolarHBondContact CA-O 3.26Å; S124-T211 WeakPolarHBondContact CB-O 3.17Å
125Y89.4Confident85.5Confident33 Ų3362.5 Ų62.513%0.12934%0.336CS..EExtended strand (participates in β ladder)trans-125.5129.9176.4-61.1-89.6000109.4E122 I140 L142 C210 T211 V212 Y213E122-Y125 HydrophobicContact CB-CD1 4.37Å; E122-Y125 HydrophobicContact CB-CE1 3.83Å; E122-Y125 HydrophobicContact CB-CE2 4.28Å; E122-Y125 HydrophobicContact CG-CE1 4.25Å; E122-Y125 PolarHBondContact N-OH 2.98Å; E122-Y125 VanDerWaalsContact O-CE2 3.31Å; E122-Y125 WeakPolarHBondContact O-CE2 3.21Å; Y125-I140 HydrophobicContact CD1-CD1 4.07Å; Y125-I140 HydrophobicContact CG-CD1 4.01Å; Y125-L142 HydrophobicContact CD2-CD2 3.55Å; Y125-L142 HydrophobicContact CE2-CD2 3.67Å; Y125-L142 HydrophobicContact CG-CD2 4.04Å; Y125-C210 HydrophobicContact CD2-CB 4.34Å; Y125-C210 HydrophobicContact CE2-CB 4.01Å; Y125-T211 PolarHBondContact N-O 2.8Å; Y125-V212 CarbonylContact O-C 3.57Å; Y125-V212 WeakPolarHBondContact O-CA 3.46Å; Y125-Y213 PolarHBondContact O-N 2.95Å
126D87.7Confident85.3Confident124 Ų12461.5 Ų61.566%0.66334%0.342SS*.EExtended strand (participates in β ladder)trans-96128.8174.7-64.4-57.2000110.5Y213D126-Y213 WeakPolarHBondContact OD1-CB 3.36Å; D126-Y213 WeakPolarHBondContact OD1-CD2 3.33Å
127V86.3Confident85Confident18 Ų1862 Ų6211%0.10935%0.345CS..EExtended strand (participates in β ladder)trans-138.2137.5-174.3-173.70000110.8V129 V139 I140 V212 Y213 I214 E215V127-V129 HydrophobicContact CG1-CG1 4.4Å; V127-V139 HydrophobicContact CG1-CG1 3.82Å; V127-I140 HydrophobicContact CG2-CB 4.01Å; V127-I140 HydrophobicContact CG2-CD1 3.71Å; V127-I140 HydrophobicContact CG2-CG1 4.42Å; V127-I140 HydrophobicContact CG2-CG2 4.21Å; V127-V212 HydrophobicContact CB-CG1 4.33Å; V127-V212 HydrophobicContact CG2-CG1 3.63Å; V127-Y213 PolarHBondContact N-O 2.87Å; V127-I214 HydrophobicContact CB-CG1 4.38Å; V127-I214 WeakPolarHBondContact O-CA 3.37Å; V127-E215 PolarHBondContact O-N 2.85Å
128Y84.7Confident84.9Confident138 Ų13863.5 Ų63.554%0.54136%0.357SS..EExtended strand (participates in β ladder)trans-100.8131.3170.2-60.8-65.8000110.1E215 L217Y128-E215 HydrophobicContact CD1-CB 4.01Å; Y128-E215 HydrophobicContact CE1-CB 4.15Å; Y128-L217 HydrophobicContact CD1-CD1 3.66Å; Y128-L217 HydrophobicContact CD1-CD2 4.19Å; Y128-L217 HydrophobicContact CD1-CG 3.84Å; Y128-L217 HydrophobicContact CE1-CD1 4.47Å; Y128-L217 HydrophobicContact CG-CD1 3.82Å; Y128-L217 HydrophobicContact CG-CG 4.37Å
129V84.7Confident84.7Confident0 Ų064.5 Ų64.50%036%0.363CS..EExtended strand (participates in β ladder)trans-124.1162.6170.8-60.70000109.7V127 M133 V139 F167 L184 I214 E215 V216 L217V127-V129 HydrophobicContact CG1-CG1 4.4Å; V129-M133 HydrophobicContact CB-SD 3.81Å; V129-M133 HydrophobicContact CG1-SD 4.19Å; V129-V139 HydrophobicContact CG1-CB 4.18Å; V129-V139 HydrophobicContact CG1-CG1 3.48Å; V129-V139 VanDerWaalsContact CG1-CG1 3.48Å; V129-V139 HydrophobicContact CG1-CG2 3.83Å; V129-F167 HydrophobicContact CG2-CZ 4.38Å; V129-L184 HydrophobicContact CB-CD1 4.2Å; V129-L184 HydrophobicContact CG2-CD1 3.76Å; V129-I214 HydrophobicContact CB-CG2 4.11Å; V129-I214 HydrophobicContact CG1-CG2 3.69Å; V129-I214 HydrophobicContact CG2-CG2 3.33Å; V129-E215 PolarHBondContact N-O 3.48Å; V129-E215 VanDerWaalsContact N-O 3.07Å; V129-V216 HydrophobicContact CG2-CB 4.29Å; V129-V216 HydrophobicContact CG2-CG2 3.77Å; V129-V216 CarbonylContact O-C 3.5Å; V129-L217 PolarHBondContact O-N 2.89Å
130Y78.9Confident84.7Confident60 Ų6062.3 Ų62.324%0.23535%0.348CS..EExtended strand (participates in β ladder)trans-130.9142.8-167.1-56.9-84000110.5D132 M133 L217 P218 N220Y130-D132 WeakPolarHBondContact CB-OD1 3.02Å; Y130-D132 PolarHBondContact O-N 2.78Å; Y130-D132 VanDerWaalsContact O-N 3.09Å; Y130-M133 HydrophobicContact CD2-SD 4.04Å; Y130-M133 PolarHBondContact N-SD 2.96Å; Y130-M133 VanDerWaalsContact N-SD 3.41Å; Y130-M133 WeakPolarHBondContact O-CB 3.44Å; Y130-M133 WeakPolarHBondContact O-CG 3.5Å; Y130-M133 PolarHBondContact O-N 2.91Å; Y130-L217 HydrophobicContact CD1-CB 3.79Å; Y130-L217 HydrophobicContact CE1-CB 3.94Å; Y130-L217 HydrophobicContact CE1-CD1 3.84Å; Y130-L217 HydrophobicContact CE1-CG 4.49Å; Y130-P218 WeakPolarHBondContact CD1-O 3.48Å; Y130-N220 HydrophobicContact CD1-CB 3.56Å; Y130-N220 HydrophobicContact CD2-CB 3.79Å; Y130-N220 HydrophobicContact CE1-CB 3.59Å; Y130-N220 VanDerWaalsContact CE1-OD1 3.27Å; Y130-N220 WeakPolarHBondContact CE1-OD1 3.36Å; Y130-N220 HydrophobicContact CE2-CB 3.85Å; Y130-N220 HydrophobicContact CG-CB 3.62Å; Y130-N220 VanDerWaalsContact CZ-OD1 3.26Å; Y130-N220 PolarHBondContact OH-OD1 3.4Å; Y130-N220 VanDerWaalsContact OH-OD1 3.13Å
131T80.4Confident84.7Confident50 Ų5067.2 Ų67.231%0.30737%0.371SS..THydrogen-bonded Turntrans-74.83.9-173.881.80000115.1L184 V186 V216 L217 P219T131-L184 WeakPolarHBondContact CB-O 3.36Å; T131-L184 HydrophobicContact CG2-CB 4.24Å; T131-L184 WeakPolarHBondContact CG2-O 3.37Å; T131-V186 HydrophobicContact CG2-CG2 3.61Å; T131-V216 HydrophobicContact CG2-CG1 3.47Å; T131-V216 VanDerWaalsContact CG2-CG1 3.47Å; T131-L217 PolarHBondContact N-O 2.98Å; T131-P219 VanDerWaalsContact OG1-CD 3.27Å; T131-P219 WeakPolarHBondContact OG1-CD 3.4Å; T131-P219 VanDerWaalsContact OG1-CG 3.28Å; T131-P219 WeakPolarHBondContact OG1-CG 3.46Å
132D76Confident84.9Confident51 Ų5162.9 Ų62.927%0.27334%0.343SS..THydrogen-bonded Turntrans-99.8-4.7167.967.1-45.8000113.5Y130 S134 P219 N220 R305Y130-D132 WeakPolarHBondContact CB-OD1 3.02Å; Y130-D132 PolarHBondContact O-N 2.78Å; Y130-D132 VanDerWaalsContact O-N 3.09Å; D132-S134 PolarHBondContact O-N 2.87Å; D132-P219 HydrophobicContact CB-CB 3.88Å; D132-P219 HydrophobicContact CB-CG 4.17Å; D132-P219 WeakPolarHBondContact OD1-CA 3.31Å; D132-P219 WeakPolarHBondContact OD1-CB 3.33Å; D132-N220 PolarHBondContact OD1-N 3.06Å; D132-R305 IonicContact OD2-CZ 2.61Å; D132-R305 IonicContact OD2-NH1 2.67Å; D132-R305 PolarHBondContact OD2-NH1 2.9Å; D132-R305 IonicContact OD2-NH2 3.66Å; D132-R305 PolarHBondContact OD2-NH2 2.9Å
133M76.8Confident85.1Confident43 Ų4361.2 Ų61.221%0.21234%0.34CS..PPolyproline II helixtrans-65.7130.3170.3-66175.870.200110.1V129 Y130 D137 S138 V139 I178V129-M133 HydrophobicContact CB-SD 3.81Å; V129-M133 HydrophobicContact CG1-SD 4.19Å; Y130-M133 HydrophobicContact CD2-SD 4.04Å; Y130-M133 PolarHBondContact N-SD 2.96Å; Y130-M133 VanDerWaalsContact N-SD 3.41Å; Y130-M133 WeakPolarHBondContact O-CB 3.44Å; Y130-M133 WeakPolarHBondContact O-CG 3.5Å; Y130-M133 PolarHBondContact O-N 2.91Å; M133-D137 WeakPolarHBondContact CA-OD2 3.49Å; M133-D137 HydrophobicContact CB-CB 4.18Å; M133-D137 HydrophobicContact CE-CB 4.04Å; M133-S138 VanDerWaalsContact CE-O 3.26Å; M133-S138 WeakPolarHBondContact CE-O 3.42Å; M133-V139 HydrophobicContact CE-CG2 4.22Å; M133-I178 HydrophobicContact CB-CD1 3.31Å; M133-I178 HydrophobicContact CE-CD1 4.29Å; M133-I178 HydrophobicContact CG-CD1 4.44Å; M133-I178 HydrophobicContact SD-CD1 4.47Å
134S78.3Confident85.3Confident65 Ų6554.6 Ų54.646%0.45531%0.308SS..PPolyproline II helixtrans-78.7154.3-174.7-68.10000112.6D132 G136 D137D132-S134 PolarHBondContact O-N 2.87Å; S134-G136 PolarHBondContact O-N 3.25Å; S134-G136 VanDerWaalsContact O-N 3.13Å; S134-D137 PolarHBondContact N-OD2 2.85Å; S134-D137 VanDerWaalsContact O-CB 3.27Å; S134-D137 WeakPolarHBondContact O-CB 3.38Å; S134-D137 PolarHBondContact O-N 2.87Å
135P82.4Confident85.3Confident72 Ų7257.1 Ų57.147%0.46832%0.321SS..THydrogen-bonded Turntrans-55.9118.2168.5-26.336000111.6
136G83.3Confident85.4Confident46 Ų4656.7 Ų56.747%0.47432%0.321SS..THydrogen-bonded Turntrans104-11.7-170.900000115.3S134 I178S134-G136 PolarHBondContact O-N 3.25Å; S134-G136 VanDerWaalsContact O-N 3.13Å; G136-I178 PolarHBondContact N-O 3.09Å
137D83.3Confident85.4Confident68 Ų6852.9 Ų52.936%0.36431%0.307SS..  trans-66.7147.1177.9-78.2-6000112.1M133 S134 S177 I178M133-D137 WeakPolarHBondContact CA-OD2 3.49Å; M133-D137 HydrophobicContact CB-CB 4.18Å; M133-D137 HydrophobicContact CE-CB 4.04Å; S134-D137 PolarHBondContact N-OD2 2.85Å; S134-D137 VanDerWaalsContact O-CB 3.27Å; S134-D137 WeakPolarHBondContact O-CB 3.38Å; S134-D137 PolarHBondContact O-N 2.87Å; D137-S177 CarbonylContact O-C 3.19Å; D137-S177 WeakPolarHBondContact O-CA 3.36Å; D137-S177 WeakPolarHBondContact O-CB 3.47Å; D137-I178 PolarHBondContact O-N 3.39Å
138S86.6Confident85.6Confident73 Ų7352.5 Ų52.551%0.5130%0.304SS..EExtended strand (participates in β ladder)trans-78.3129.2-174.9-64.50000111.9M133M133-S138 VanDerWaalsContact CE-O 3.26Å; M133-S138 WeakPolarHBondContact CE-O 3.42Å
139V87.6Confident85.7Confident21 Ų2149.4 Ų49.413%0.12730%0.295CS..EExtended strand (participates in β ladder)trans-104.3-55.5-177.7172.60000111.2V127 V129 M133 F167 V176 I178 I214V127-V139 HydrophobicContact CG1-CG1 3.82Å; V129-V139 HydrophobicContact CG1-CB 4.18Å; V129-V139 HydrophobicContact CG1-CG1 3.48Å; V129-V139 VanDerWaalsContact CG1-CG1 3.48Å; V129-V139 HydrophobicContact CG1-CG2 3.83Å; M133-V139 HydrophobicContact CE-CG2 4.22Å; V139-F167 HydrophobicContact CG2-CD1 4.02Å; V139-F167 HydrophobicContact CG2-CE1 3.91Å; V139-V176 HydrophobicContact CB-CB 4.35Å; V139-V176 HydrophobicContact CB-CG1 4.1Å; V139-V176 HydrophobicContact CG1-CG1 4.29Å; V139-V176 PolarHBondContact N-O 2.84Å; V139-I178 HydrophobicContact CG2-CG1 3.98Å; V139-I214 HydrophobicContact CG1-CD1 3.91Å; V139-I214 HydrophobicContact CG1-CG1 4.41Å
140I90Very high85.8Confident34 Ų3452.2 Ų52.217%0.17432%0.324CS..EExtended strand (participates in β ladder)trans-154.5142.8173.2-178.1165.3000109Y125 V127 L142 V176 V212Y125-I140 HydrophobicContact CD1-CD1 4.07Å; Y125-I140 HydrophobicContact CG-CD1 4.01Å; V127-I140 HydrophobicContact CG2-CB 4.01Å; V127-I140 HydrophobicContact CG2-CD1 3.71Å; V127-I140 HydrophobicContact CG2-CG1 4.42Å; V127-I140 HydrophobicContact CG2-CG2 4.21Å; I140-L142 HydrophobicContact CD1-CD2 3.9Å; I140-L142 HydrophobicContact CG1-CD2 4.13Å; I140-L142 HydrophobicContact CG2-CD2 4.29Å; I140-L142 HydrophobicContact CG2-CG 4.24Å; I140-V176 HydrophobicContact CG2-CB 3.87Å; I140-V176 HydrophobicContact CG2-CG2 3.88Å; I140-V176 PolarHBondContact N-O 2.95Å; I140-V176 PolarHBondContact O-N 3.39Å; I140-V212 HydrophobicContact CG2-CG1 3.98Å; I140-V212 HydrophobicContact CG2-CG2 4.4Å
141Q91.8Very high86.2Confident117 Ų11752.1 Ų52.155%0.54733%0.332SS..EExtended strand (participates in β ladder)trans-98.9107.9167.9-166.9168.90.200109.8T173 L175Q141-T173 VanDerWaalsContact CG-O 3.29Å; Q141-T173 WeakPolarHBondContact CG-O 3.35Å; Q141-T173 PolarHBondContact NE2-O 2.87Å; Q141-L175 HydrophobicContact CB-CD1 3.93Å; Q141-L175 HydrophobicContact CG-CB 4.43Å; Q141-L175 HydrophobicContact CG-CD1 4.37Å
142L91.1Very high86.5Confident1 Ų150.5 Ų50.51%0.00532%0.321CS..  trans-84.1135177.9-61169.2000109.8F120 Y125 I140 I169 G174 V176 V194 V212F120-L142 HydrophobicContact CD1-CB 4.47Å; F120-L142 HydrophobicContact CE1-CB 3.96Å; Y125-L142 HydrophobicContact CD2-CD2 3.55Å; Y125-L142 HydrophobicContact CE2-CD2 3.67Å; Y125-L142 HydrophobicContact CG-CD2 4.04Å; I140-L142 HydrophobicContact CD1-CD2 3.9Å; I140-L142 HydrophobicContact CG1-CD2 4.13Å; I140-L142 HydrophobicContact CG2-CD2 4.29Å; I140-L142 HydrophobicContact CG2-CG 4.24Å; L142-I169 HydrophobicContact CD1-CD1 4.18Å; L142-G174 PolarHBondContact N-O 2.73Å; L142-G174 WeakPolarHBondContact O-CA 3.37Å; L142-V176 HydrophobicContact CD1-CG2 3.87Å; L142-V176 HydrophobicContact CG-CG2 4.39Å; L142-V194 HydrophobicContact CD1-CB 3.86Å; L142-V194 HydrophobicContact CD1-CG1 3.7Å; L142-V194 HydrophobicContact CD1-CG2 3.75Å; L142-V212 HydrophobicContact CD1-CG2 3.79Å; L142-V212 HydrophobicContact CD2-CG2 3.91Å; L142-V212 HydrophobicContact CG-CG2 4.37Å
143T91.3Very high87Confident80 Ų8049.2 Ų49.249%0.49132%0.32SS..  trans-127.594.7178.5470000109.2P121P121-T143 WeakPolarHBondContact CD-O 3.35Å
144A90.2Very high87.5Confident8 Ų852.2 Ų52.27%0.06633%0.333CS..  trans-73.6158160.600000110P118 T119 F120 I155 Y157 A196P118-A144 HydrophobicContact CB-CB 4.3Å; T119-A144 CarbonylContact O-C 3.5Å; T119-A144 VanDerWaalsContact O-CA 3.29Å; T119-A144 WeakPolarHBondContact O-CA 3.48Å; F120-A144 HydrophobicContact CD1-CB 3.78Å; F120-A144 HydrophobicContact CE1-CB 3.88Å; F120-A144 HydrophobicContact CG-CB 4.14Å; F120-A144 HydrophobicContact CZ-CB 4.35Å; A144-I155 VanDerWaalsContact C-CD1 3.5Å; A144-I155 HydrophobicContact CB-CD1 4.01Å; A144-I155 HydrophobicContact CB-CG2 4.47Å; A144-I155 WeakPolarHBondContact O-CD1 3.47Å; A144-Y157 HydrophobicContact CB-CE1 3.8Å; A144-Y157 PolarHBondContact N-OH 2.88Å; A144-Y157 PolarHBondContact O-OH 3.03Å; A144-A196 HydrophobicContact CB-CB 3.48Å; A144-A196 VanDerWaalsContact CB-CB 3.48Å
145V90.5Very high88.2Confident98 Ų9850.2 Ų50.259%0.59432%0.317SS*.BIsolated β-bridgetrans-120135.2174.3-176.50000108.8T119T119-V145 PolarHBondContact N-O 3.09Å; T119-V145 PolarHBondContact O-N 3.44Å
146D91.3Very high88.6Confident23 Ų2347.7 Ų47.712%0.12330%0.301CS..  trans-127.9156.1166.3-149.7-36.1000107.9N116 T117 P118 I155N116-D146 WeakPolarHBondContact CB-OD1 3.46Å; T117-D146 WeakPolarHBondContact CA-OD2 3.42Å; T117-D146 PolarHBondContact N-OD1 2.93Å; P118-D146 WeakPolarHBondContact CA-OD2 3.45Å; P118-D146 HydrophobicContact CB-CB 4.43Å; P118-D146 WeakPolarHBondContact CD-OD2 3.33Å; P118-D146 HydrophobicContact CG-CB 4.4Å; P118-D146 WeakPolarHBondContact CG-OD2 3.38Å; D146-I155 HydrophobicContact CB-CD1 4.09Å; D146-I155 HydrophobicContact CB-CG1 4.07Å
147A89.1Confident89.2Confident45 Ų4546.2 Ų46.237%0.37228%0.281SS..  trans-110.4-21.8-171.500000113.5R82 E83 N116R82-A147 PolarHBondContact NH2-O 2.87Å; E83-A147 HydrophobicContact CG-CB 3.53Å; N116-A147 HydrophobicContact CB-CB 4.25Å
148D90.5Very high89.6Confident10 Ų1047 Ų475%0.05328%0.283CS..SBendtrans-60.6170.4-178.5-58.8-5.8000113.2N114 D115 N116 N152 G153N114-D148 VanDerWaalsContact CA-OD2 3.23Å; N114-D148 WeakPolarHBondContact CA-OD2 3.38Å; D115-D148 PolarHBondContact N-OD2 3.47Å; N116-D148 WeakPolarHBondContact CB-OD1 3.36Å; N116-D148 PolarHBondContact N-OD1 3.26Å; N116-D148 PolarHBondContact N-OD2 2.97Å; N116-D148 PolarHBondContact ND2-OD1 2.71Å; D148-N152 HydrophobicContact CB-CB 3.48Å; D148-N152 VanDerWaalsContact CB-CB 3.48Å; D148-G153 VanDerWaalsContact O-CA 3.24Å; D148-G153 WeakPolarHBondContact O-CA 3.06Å; D148-G153 PolarHBondContact O-N 3.1Å
149E86.8Confident89.9Confident72 Ų7245.1 Ų45.134%0.33627%0.267SS..SBendtrans-92.8145.1-175.9-144.7175.9129.700113.5R82 R109 D112 S151 N152R82-E149 IonicContact CZ-OE2 3.62Å; R82-E149 VanDerWaalsContact NH1-CB 3.29Å; R82-E149 VanDerWaalsContact NH1-CG 3.33Å; R82-E149 IonicContact NH1-OE2 3.83Å; R82-E149 PolarHBondContact NH1-OE2 2.89Å; R109-E149 IonicContact CZ-OE1 3.93Å; R109-E149 IonicContact NH2-OE1 2.63Å; R109-E149 PolarHBondContact NH2-OE1 3.09Å; R109-E149 IonicContact NH2-OE2 2.67Å; R109-E149 PolarHBondContact NH2-OE2 3Å; D112-E149 HydrophobicContact CB-CB 3.75Å; D112-E149 VanDerWaalsContact CG-CB 3.49Å; D112-E149 WeakPolarHBondContact OD1-CA 3.3Å; D112-E149 VanDerWaalsContact OD1-CB 3.26Å; D112-E149 WeakPolarHBondContact OD1-CB 3.23Å; D112-E149 PolarHBondContact OD1-N 2.97Å; D112-E149 PolarHBondContact OD2-N 2.95Å; E149-S151 PolarHBondContact O-N 2.71Å; E149-N152 WeakPolarHBondContact O-CB 3.22Å; E149-N152 PolarHBondContact O-N 2.69Å; E149-N152 VanDerWaalsContact O-N 3.09Å
150G86.4Confident90Very high59 Ų5948 Ų4861%0.60828%0.281SS*.THydrogen-bonded Turntrans60.7-120.8167.200000112.8N152 E154G150-N152 PolarHBondContact O-N 2.97Å; G150-E154 VanDerWaalsContact O-CB 3.24Å; G150-E154 WeakPolarHBondContact O-CB 3.31Å; G150-E154 PolarHBondContact O-N 3.27Å
151S86.3Confident90Very high58 Ų5851 Ų5141%0.40630%0.301SS..THydrogen-bonded Turntrans-66.9-22.2179.950.70000114.1E149 N199 A200E149-S151 PolarHBondContact O-N 2.71Å; S151-N199 CarbonylContact O-C 3.5Å; S151-N199 WeakPolarHBondContact O-CA 2.99Å; S151-N199 VanDerWaalsContact O-CB 3.28Å; S151-N199 WeakPolarHBondContact O-CB 3.4Å; S151-N199 PolarHBondContact O-N 2.67Å; S151-A200 PolarHBondContact O-N 2.63Å
152N87Confident89.7Confident17 Ų1746.5 Ų46.59%0.09129%0.286CS..THydrogen-bonded Turntrans-82.7-43.5-176.2-61.51.9000108.7D112 N114 D148 E149 G150 E154 D198 A200D112-N152 WeakPolarHBondContact OD2-CB 3.35Å; D112-N152 PolarHBondContact OD2-ND2 2.96Å; N114-N152 HydrophobicContact CB-CB 4.37Å; N114-N152 PolarHBondContact N-ND2 3.25Å; N114-N152 WeakPolarHBondContact OD1-CA 3.41Å; N114-N152 WeakPolarHBondContact OD1-CB 3.38Å; D148-N152 HydrophobicContact CB-CB 3.48Å; D148-N152 VanDerWaalsContact CB-CB 3.48Å; E149-N152 WeakPolarHBondContact O-CB 3.22Å; E149-N152 PolarHBondContact O-N 2.69Å; E149-N152 VanDerWaalsContact O-N 3.09Å; G150-N152 PolarHBondContact O-N 2.97Å; N152-E154 VanDerWaalsContact C-N 3.32Å; N152-E154 PolarHBondContact O-N 2.87Å; N152-D198 WeakPolarHBondContact O-CB 3.36Å; N152-A200 VanDerWaalsContact OD1-CB 3.26Å; N152-A200 WeakPolarHBondContact OD1-CB 3.04Å
153G85.6Confident89.1Confident23 Ų2346.7 Ų46.724%0.23729%0.288CS..THydrogen-bonded Turntrans-74.1-11.6168.500000115.9D148 I155D148-G153 VanDerWaalsContact O-CA 3.24Å; D148-G153 WeakPolarHBondContact O-CA 3.06Å; D148-G153 PolarHBondContact O-N 3.1Å; G153-I155 PolarHBondContact O-N 3.29Å
154E88.9Confident88.7Confident106 Ų10648.6 Ų48.650%0.49529%0.29SS..  trans-84.8102.3-177.5-171.4-176.2-134.700111.5G150 N152 D198 N199G150-E154 VanDerWaalsContact O-CB 3.24Å; G150-E154 WeakPolarHBondContact O-CB 3.31Å; G150-E154 PolarHBondContact O-N 3.27Å; N152-E154 VanDerWaalsContact C-N 3.32Å; N152-E154 PolarHBondContact O-N 2.87Å; E154-D198 CarbonylContact O-C 3.53Å; E154-N199 HydrophobicContact CB-CB 4.34Å; E154-N199 WeakPolarHBondContact O-CB 3.33Å; E154-N199 PolarHBondContact O-N 3.26Å; E154-N199 PolarHBondContact OE2-ND2 3.34Å
155I91.5Very high88.5Confident23 Ų2350.7 Ų50.712%0.11831%0.312CS..EExtended strand (participates in β ladder)trans-80129.6-173.3-51.3172.8000112P118 A144 D146 G153 Y157 A196P118-I155 HydrophobicContact CB-CD1 4.11Å; P118-I155 HydrophobicContact CB-CG1 4.05Å; P118-I155 HydrophobicContact CB-CG2 3.96Å; P118-I155 HydrophobicContact CG-CG1 4.43Å; A144-I155 VanDerWaalsContact C-CD1 3.5Å; A144-I155 HydrophobicContact CB-CD1 4.01Å; A144-I155 HydrophobicContact CB-CG2 4.47Å; A144-I155 WeakPolarHBondContact O-CD1 3.47Å; D146-I155 HydrophobicContact CB-CD1 4.09Å; D146-I155 HydrophobicContact CB-CG1 4.07Å; G153-I155 PolarHBondContact O-N 3.29Å; I155-Y157 HydrophobicContact CB-CE2 4.26Å; I155-Y157 HydrophobicContact CG2-CD1 4.13Å; I155-Y157 HydrophobicContact CG2-CD2 4.33Å; I155-Y157 HydrophobicContact CG2-CE1 3.63Å; I155-Y157 HydrophobicContact CG2-CE2 3.89Å; I155-Y157 HydrophobicContact CG2-CG 4.45Å; I155-Y157 VanDerWaalsContact CG2-CZ 3.49Å; I155-A196 HydrophobicContact CG2-CB 3.76Å
156S92.6Very high88.3Confident19 Ų1947.7 Ų47.713%0.13329%0.293CS..EExtended strand (participates in β ladder)trans-105135.416669.90000111.6K171 S197 N199S156-K171 CarbonylContact C-O 3.45Å; S156-K171 VanDerWaalsContact CA-O 3.25Å; S156-K171 WeakPolarHBondContact CA-O 3.43Å; S156-S197 WeakPolarHBondContact CA-O 3.16Å; S156-S197 PolarHBondContact N-O 3.06Å; S156-S197 PolarHBondContact O-N 3.35Å; S156-S197 VanDerWaalsContact O-O 3.1Å; S156-S197 PolarHBondContact OG-O 3.13Å; S156-N199 WeakPolarHBondContact CB-OD1 3.47Å
157Y94Very high88.3Confident15 Ų1547 Ų476%0.05929%0.289CS..EExtended strand (participates in β ladder)trans-110.6141.7-178.2-55.8-86.7000112.7F120 A144 I155 I169 K171 G174 Q195 A196F120-Y157 HydrophobicContact CE1-CD1 4.11Å; F120-Y157 AromaticContact CE1-CE1 3.95Å; F120-Y157 HydrophobicContact CE1-CE1 3.95Å; F120-Y157 HydrophobicContact CZ-CD1 4.17Å; F120-Y157 HydrophobicContact CZ-CE1 4.34Å; A144-Y157 HydrophobicContact CB-CE1 3.8Å; A144-Y157 PolarHBondContact N-OH 2.88Å; A144-Y157 PolarHBondContact O-OH 3.03Å; I155-Y157 HydrophobicContact CB-CE2 4.26Å; I155-Y157 HydrophobicContact CG2-CD1 4.13Å; I155-Y157 HydrophobicContact CG2-CD2 4.33Å; I155-Y157 HydrophobicContact CG2-CE1 3.63Å; I155-Y157 HydrophobicContact CG2-CE2 3.89Å; I155-Y157 HydrophobicContact CG2-CG 4.45Å; I155-Y157 VanDerWaalsContact CG2-CZ 3.49Å; Y157-I169 HydrophobicContact CG-CD1 4.41Å; Y157-K171 WeakPolarHBondContact CD2-O 3.47Å; Y157-K171 PolarHBondContact N-O 3.36Å; Y157-G174 VanDerWaalsContact CD2-N 3.28Å; Y157-Q195 WeakPolarHBondContact CA-O 3.39Å; Y157-A196 HydrophobicContact CD1-CB 3.81Å; Y157-A196 HydrophobicContact CE1-CB 3.79Å
158E93.1Very high88.4Confident86 Ų8647.9 Ų47.940%0.40229%0.289SS..EExtended strand (participates in β ladder)trans-147.8137.1-178.6-175.4146.4-112.800112.4L160 K171 V194 Q195E158-L160 PolarHBondContact O-N 3.35Å; E158-K171 VanDerWaalsContact CD-NZ 3.34Å; E158-K171 WeakPolarHBondContact OE1-CE 3.32Å; E158-K171 IonicContact OE1-NZ 2.65Å; E158-K171 PolarHBondContact OE1-NZ 3.3Å; E158-K171 IonicContact OE2-NZ 3.32Å; E158-V194 WeakPolarHBondContact O-CA 3.47Å; E158-Q195 PolarHBondContact N-O 2.88Å; E158-Q195 PolarHBondContact O-N 3.09Å
159I92Very high88.5Confident33 Ų3348.5 Ų48.517%0.16929%0.292CS..EExtended strand (participates in β ladder)trans-85.1111.2171.8-63.3158.8000107.9F167 I169 L192 V194I159-F167 HydrophobicContact CD1-CB 4.13Å; I159-F167 WeakPolarHBondContact CD1-O 3.14Å; I159-I169 HydrophobicContact CD1-CB 3.95Å; I159-I169 HydrophobicContact CD1-CG2 4.14Å; I159-I169 HydrophobicContact CG1-CB 4.01Å; I159-I169 HydrophobicContact CG1-CG2 3.84Å; I159-L192 HydrophobicContact CD1-CD1 4.29Å; I159-V194 HydrophobicContact CG1-CG2 4.07Å
160L91.1Very high88.7Confident81 Ų8148.2 Ų48.242%0.42429%0.293SS..EExtended strand (participates in β ladder)trans-75.9-49.9179.5-61.5177.5000112E158 T193 Q195 I209E158-L160 PolarHBondContact O-N 3.35Å; L160-T193 HydrophobicContact CD1-CG2 4.27Å; L160-T193 PolarHBondContact N-O 2.84Å; L160-Q195 HydrophobicContact CD1-CB 3.96Å; L160-Q195 HydrophobicContact CD2-CB 4.06Å; L160-Q195 HydrophobicContact CG-CB 3.82Å; L160-I209 HydrophobicContact CD1-CG2 3.85Å
161V89.9Confident88.9Confident96 Ų9650.5 Ų50.558%0.58229%0.286SS*.EExtended strand (participates in β ladder)trans-147.4161.9-168.6-1770000108.8G163 T193V161-G163 VanDerWaalsContact C-N 3.26Å; V161-G163 PolarHBondContact O-N 3.27Å; V161-T193 PolarHBondContact O-N 2.81Å
162G84.2Confident89.1Confident23 Ų2352.8 Ų52.824%0.23730%0.298CS..SBendtrans88.4-23.6171.900000114.5K164 Y190 A191G162-K164 VanDerWaalsContact C-N 3.27Å; G162-K164 PolarHBondContact O-N 2.94Å; G162-Y190 WeakPolarHBondContact O-CD1 3.04Å; G162-A191 WeakPolarHBondContact CA-O 3.38Å
163G79.5Confident89.2Confident6 Ų654.6 Ų54.66%0.06231%0.309CS..  trans-64-21.9178.800000115.8V161 G165 D166V161-G163 VanDerWaalsContact C-N 3.26Å; V161-G163 PolarHBondContact O-N 3.27Å; G163-G165 PolarHBondContact O-N 3.19Å; G163-D166 WeakPolarHBondContact O-CB 3.46Å; G163-D166 PolarHBondContact O-N 3.14Å
164K81.5Confident89.3Confident120 Ų12053.5 Ų53.552%0.52230%0.298SS..THydrogen-bonded Turntrans57.2-7.9-176-50.2-177-162.2133.70116.6G162 T189 Y190G162-K164 VanDerWaalsContact C-N 3.27Å; G162-K164 PolarHBondContact O-N 2.94Å; K164-T189 PolarHBondContact NZ-O 3.25Å; K164-Y190 HydrophobicContact CB-CE1 4.1Å; K164-Y190 HydrophobicContact CD-CD1 3.84Å; K164-Y190 HydrophobicContact CD-CE1 3.44Å; K164-Y190 VanDerWaalsContact CD-CE1 3.44Å; K164-Y190 HydrophobicContact CG-CD1 3.95Å; K164-Y190 HydrophobicContact CG-CE1 3.8Å
165G85.9Confident89.5Confident52 Ų5250.4 Ų50.454%0.53629%0.285SS..THydrogen-bonded Turntrans109.9-9.3-166.100000112.8G163 A179G163-G165 PolarHBondContact O-N 3.19Å; G165-A179 WeakPolarHBondContact O-CB 3.47Å
166D87.7Confident89.4Confident34 Ų3449.3 Ų49.318%0.18228%0.279CS..THydrogen-bonded Turntrans-90.1-17-165.4-58.6-14.4000114G163 A179 V182 L184 Y190G163-D166 WeakPolarHBondContact O-CB 3.46Å; G163-D166 PolarHBondContact O-N 3.14Å; D166-A179 WeakPolarHBondContact O-CB 3.48Å; D166-A179 PolarHBondContact O-N 2.87Å; D166-V182 HydrophobicContact CB-CG1 3.74Å; D166-L184 HydrophobicContact CB-CD2 4.46Å; D166-Y190 HydrophobicContact CB-CE1 3.83Å; D166-Y190 WeakPolarHBondContact OD2-CE1 3.42Å; D166-Y190 PolarHBondContact OD2-OH 3.38Å
167F90.5Very high89.3Confident10 Ų1049.2 Ų49.24%0.04428%0.278CS..EExtended strand (participates in β ladder)trans-131.3140178.7-59.3-81.9000111.2V129 V139 I159 V176 S177 I178 L184 Y190 L192 I214V129-F167 HydrophobicContact CG2-CZ 4.38Å; V139-F167 HydrophobicContact CG2-CD1 4.02Å; V139-F167 HydrophobicContact CG2-CE1 3.91Å; I159-F167 HydrophobicContact CD1-CB 4.13Å; I159-F167 WeakPolarHBondContact CD1-O 3.14Å; F167-V176 HydrophobicContact CB-CG1 4.12Å; F167-V176 HydrophobicContact CD1-CG1 4.3Å; F167-S177 CarbonylContact C-O 3.33Å; F167-S177 WeakPolarHBondContact CA-O 3.34Å; F167-I178 HydrophobicContact CD1-CG1 4.45Å; F167-I178 HydrophobicContact CE1-CG1 4.18Å; F167-L184 HydrophobicContact CE1-CD2 4.31Å; F167-L184 HydrophobicContact CE2-CD2 4.3Å; F167-L184 HydrophobicContact CZ-CD2 3.75Å; F167-Y190 HydrophobicContact CD2-CD1 4.1Å; F167-Y190 HydrophobicContact CD2-CE1 4.3Å; F167-Y190 HydrophobicContact CD2-CG 4.44Å; F167-Y190 AromaticContact CE2-CD1 3.66Å; F167-Y190 HydrophobicContact CE2-CD1 3.66Å; F167-Y190 AromaticContact CE2-CD2 3.84Å; F167-Y190 HydrophobicContact CE2-CD2 3.84Å; F167-Y190 AromaticContact CE2-CE1 3.76Å; F167-Y190 HydrophobicContact CE2-CE1 3.76Å; F167-Y190 AromaticContact CE2-CE2 3.97Å; F167-Y190 HydrophobicContact CE2-CE2 3.97Å; F167-Y190 AromaticContact CE2-CG 3.71Å; F167-Y190 HydrophobicContact CE2-CG 3.71Å; F167-Y190 AromaticContact CE2-CZ 3.94Å; F167-Y190 HydrophobicContact CZ-CD2 4.39Å; F167-Y190 HydrophobicContact CZ-CE2 4.44Å; F167-L192 HydrophobicContact CB-CD1 4.1Å; F167-L192 HydrophobicContact CD2-CD1 4.49Å; F167-L192 HydrophobicContact CD2-CD2 3.97Å; F167-L192 HydrophobicContact CG-CD1 4.27Å; F167-L192 HydrophobicContact CG-CD2 4.48Å; F167-I214 HydrophobicContact CD1-CD1 4.09Å; F167-I214 HydrophobicContact CD2-CD1 4.19Å; F167-I214 HydrophobicContact CE1-CD1 3.91Å; F167-I214 HydrophobicContact CE1-CG2 4.47Å; F167-I214 HydrophobicContact CE2-CD1 4.01Å; F167-I214 HydrophobicContact CG-CD1 4.23Å; F167-I214 HydrophobicContact CZ-CD1 3.86Å; F167-I214 HydrophobicContact CZ-CG2 3.93Å
168V90.8Very high89.1Confident62 Ų6248.5 Ų48.538%0.37628%0.276SS..EExtended strand (participates in β ladder)trans-122.1142.3173-660000110.1S177 A179V168-S177 PolarHBondContact N-O 3.5Å; V168-S177 PolarHBondContact O-N 3.39Å; V168-S177 VanDerWaalsContact O-O 3.14Å; V168-S177 PolarHBondContact O-OG 2.76Å; V168-S177 VanDerWaalsContact O-OG 3.08Å; V168-A179 HydrophobicContact CG1-CB 3.89Å
169I93.2Very high88.8Confident23 Ų2344.7 Ų44.712%0.11826%0.259CS..EExtended strand (participates in β ladder)trans-107.8134.2176.8-168.7162000110.7L142 Y157 I159 K171 L175 V176 V194L142-I169 HydrophobicContact CD1-CD1 4.18Å; Y157-I169 HydrophobicContact CG-CD1 4.41Å; I159-I169 HydrophobicContact CD1-CB 3.95Å; I159-I169 HydrophobicContact CD1-CG2 4.14Å; I159-I169 HydrophobicContact CG1-CB 4.01Å; I159-I169 HydrophobicContact CG1-CG2 3.84Å; I169-K171 PolarHBondContact O-N 3.26Å; I169-L175 CarbonylContact C-O 3.56Å; I169-L175 WeakPolarHBondContact CA-O 3.45Å; I169-V176 HydrophobicContact CB-CG2 4.46Å; I169-V176 HydrophobicContact CD1-CG2 3.86Å; I169-V176 HydrophobicContact CG1-CG2 4.18Å; I169-V194 HydrophobicContact CD1-CG1 3.55Å
170N91.2Very high88.5Confident66 Ų6648.5 Ų48.535%0.35329%0.286SS..  trans-69.5113.4169.5-178.9-46.4000108.9T172 T173 G174 L175N170-T172 PolarHBondContact O-N 2.99Å; N170-T172 VanDerWaalsContact O-N 3.09Å; N170-T172 PolarHBondContact OD1-N 3.4Å; N170-T172 PolarHBondContact OD1-OG1 3.09Å; N170-T173 VanDerWaalsContact CB-OG1 3.28Å; N170-T173 WeakPolarHBondContact CB-OG1 3.19Å; N170-T173 PolarHBondContact O-N 3.37Å; N170-T173 PolarHBondContact OD1-N 3.29Å; N170-T173 VanDerWaalsContact OD1-N 3.08Å; N170-T173 PolarHBondContact OD1-OG1 3.3Å; N170-G174 PolarHBondContact O-N 2.75Å; N170-L175 HydrophobicContact CB-CB 4.15Å; N170-L175 PolarHBondContact N-O 3.03Å
171K91.4Very high88.1Confident108 Ų10848.2 Ų48.247%0.4730%0.303SS..THydrogen-bonded Turntrans-55.9-30.3-174.9-64.2-146167.5-154.60113.9S156 Y157 E158 I169S156-K171 CarbonylContact C-O 3.45Å; S156-K171 VanDerWaalsContact CA-O 3.25Å; S156-K171 WeakPolarHBondContact CA-O 3.43Å; Y157-K171 WeakPolarHBondContact CD2-O 3.47Å; Y157-K171 PolarHBondContact N-O 3.36Å; E158-K171 VanDerWaalsContact CD-NZ 3.34Å; E158-K171 WeakPolarHBondContact OE1-CE 3.32Å; E158-K171 IonicContact OE1-NZ 2.65Å; E158-K171 PolarHBondContact OE1-NZ 3.3Å; E158-K171 IonicContact OE2-NZ 3.32Å; I169-K171 PolarHBondContact O-N 3.26Å
172T89.7Confident87.7Confident106 Ų10645.1 Ų45.165%0.6528%0.284SS*.THydrogen-bonded Turntrans-98.2-20-176.942.50000115N170N170-T172 PolarHBondContact O-N 2.99Å; N170-T172 VanDerWaalsContact O-N 3.09Å; N170-T172 PolarHBondContact OD1-N 3.4Å; N170-T172 PolarHBondContact OD1-OG1 3.09Å
173T88.1Confident87.5Confident54 Ų5452.6 Ų52.633%0.33131%0.313SS..THydrogen-bonded Turntrans-114.6-6.7-17668.90000114.3Q141 N170 L175Q141-T173 VanDerWaalsContact CG-O 3.29Å; Q141-T173 WeakPolarHBondContact CG-O 3.35Å; Q141-T173 PolarHBondContact NE2-O 2.87Å; N170-T173 VanDerWaalsContact CB-OG1 3.28Å; N170-T173 WeakPolarHBondContact CB-OG1 3.19Å; N170-T173 PolarHBondContact O-N 3.37Å; N170-T173 PolarHBondContact OD1-N 3.29Å; N170-T173 VanDerWaalsContact OD1-N 3.08Å; N170-T173 PolarHBondContact OD1-OG1 3.3Å; T173-L175 PolarHBondContact O-N 3.06Å; T173-L175 VanDerWaalsContact O-N 3.17Å; T173-L175 WeakPolarHBondContact OG1-CB 3.13Å
174G89.5Confident87.6Confident0 Ų053 Ų530%031%0.313CS..  trans68.77.5-17700000114.2L142 Y157 N170 V176L142-G174 PolarHBondContact N-O 2.73Å; L142-G174 WeakPolarHBondContact O-CA 3.37Å; Y157-G174 VanDerWaalsContact CD2-N 3.28Å; N170-G174 PolarHBondContact O-N 2.75Å; G174-V176 PolarHBondContact O-N 3.07Å
175L91.5Very high87.6Confident42 Ų4252.4 Ų52.422%0.2232%0.315CS..EExtended strand (participates in β ladder)trans-73.7106-179.8-173.967.9000110.6Q141 I169 N170 T173Q141-L175 HydrophobicContact CB-CD1 3.93Å; Q141-L175 HydrophobicContact CG-CB 4.43Å; Q141-L175 HydrophobicContact CG-CD1 4.37Å; I169-L175 CarbonylContact C-O 3.56Å; I169-L175 WeakPolarHBondContact CA-O 3.45Å; N170-L175 HydrophobicContact CB-CB 4.15Å; N170-L175 PolarHBondContact N-O 3.03Å; T173-L175 PolarHBondContact O-N 3.06Å; T173-L175 VanDerWaalsContact O-N 3.17Å; T173-L175 WeakPolarHBondContact OG1-CB 3.13Å
176V91.1Very high87.3Confident0 Ų053.5 Ų53.50%031%0.311CS..EExtended strand (participates in β ladder)trans-71.8134.1164.5-177.30000108.1V139 I140 L142 F167 I169 G174 L192V139-V176 HydrophobicContact CB-CB 4.35Å; V139-V176 HydrophobicContact CB-CG1 4.1Å; V139-V176 HydrophobicContact CG1-CG1 4.29Å; V139-V176 PolarHBondContact N-O 2.84Å; I140-V176 HydrophobicContact CG2-CB 3.87Å; I140-V176 HydrophobicContact CG2-CG2 3.88Å; I140-V176 PolarHBondContact N-O 2.95Å; I140-V176 PolarHBondContact O-N 3.39Å; L142-V176 HydrophobicContact CD1-CG2 3.87Å; L142-V176 HydrophobicContact CG-CG2 4.39Å; F167-V176 HydrophobicContact CB-CG1 4.12Å; F167-V176 HydrophobicContact CD1-CG1 4.3Å; I169-V176 HydrophobicContact CB-CG2 4.46Å; I169-V176 HydrophobicContact CD1-CG2 3.86Å; I169-V176 HydrophobicContact CG1-CG2 4.18Å; G174-V176 PolarHBondContact O-N 3.07Å; V176-L192 HydrophobicContact CG1-CD1 3.74Å
177S90.3Very high86.7Confident16 Ų1654.7 Ų54.711%0.11233%0.331CS..EExtended strand (participates in β ladder)trans-144.8160.5-178.752.60000110.8D137 F167 V168D137-S177 CarbonylContact O-C 3.19Å; D137-S177 WeakPolarHBondContact O-CA 3.36Å; D137-S177 WeakPolarHBondContact O-CB 3.47Å; F167-S177 CarbonylContact C-O 3.33Å; F167-S177 WeakPolarHBondContact CA-O 3.34Å; V168-S177 PolarHBondContact N-O 3.5Å; V168-S177 PolarHBondContact O-N 3.39Å; V168-S177 VanDerWaalsContact O-O 3.14Å; V168-S177 PolarHBondContact O-OG 2.76Å; V168-S177 VanDerWaalsContact O-OG 3.08Å
178I89Confident86.4Confident1 Ų157.6 Ų57.61%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-69.7135.5179.5-61.1172.6000109.9M133 G136 D137 V139 F167 L184M133-I178 HydrophobicContact CB-CD1 3.31Å; M133-I178 HydrophobicContact CE-CD1 4.29Å; M133-I178 HydrophobicContact CG-CD1 4.44Å; M133-I178 HydrophobicContact SD-CD1 4.47Å; G136-I178 PolarHBondContact N-O 3.09Å; D137-I178 PolarHBondContact O-N 3.39Å; V139-I178 HydrophobicContact CG2-CG1 3.98Å; F167-I178 HydrophobicContact CD1-CG1 4.45Å; F167-I178 HydrophobicContact CE1-CG1 4.18Å; I178-L184 HydrophobicContact CD1-CD1 3.56Å; I178-L184 HydrophobicContact CD1-CG 4.36Å; I178-L184 HydrophobicContact CG1-CD1 4.12Å
179A87.7Confident86.3Confident5 Ų559 Ų594%0.04135%0.354CS..PPolyproline II helixtrans-67.9144.2-175.900000113G165 D166 V168 G181 V182G165-A179 WeakPolarHBondContact O-CB 3.47Å; D166-A179 WeakPolarHBondContact O-CB 3.48Å; D166-A179 PolarHBondContact O-N 2.87Å; V168-A179 HydrophobicContact CG1-CB 3.89Å; A179-G181 PolarHBondContact O-N 2.82Å; A179-G181 VanDerWaalsContact O-N 3.16Å; A179-V182 HydrophobicContact CB-CB 4.45Å; A179-V182 HydrophobicContact CB-CG2 3.98Å; A179-V182 PolarHBondContact O-N 3.42Å
180P84.6Confident86.1Confident113 Ų11358.6 Ų58.673%0.73435%0.351SS*.THydrogen-bonded Turntrans-56.2117.9176.4-27.335.9000113.3
181G83Confident86.1Confident76 Ų7657.3 Ų57.378%0.78435%0.35SS*.THydrogen-bonded Turntrans87.619.717600000115.7A179A179-G181 PolarHBondContact O-N 2.82Å; A179-G181 VanDerWaalsContact O-N 3.16Å
182V81.8Confident86.1Confident31 Ų3152.2 Ų52.219%0.18833%0.327CS..  trans-104.8141.8177.7166.10000111.7D166 A179 L184D166-V182 HydrophobicContact CB-CG1 3.74Å; A179-V182 HydrophobicContact CB-CB 4.45Å; A179-V182 HydrophobicContact CB-CG2 3.98Å; A179-V182 PolarHBondContact O-N 3.42Å; V182-L184 HydrophobicContact CG1-CD2 4.44Å
183E78.7Confident86.3Confident179 Ų17948.7 Ų48.784%0.83631%0.306SS*.  trans-109.5120.9170.3-65.4178.6164.100109
184L81.7Confident86.5Confident15 Ų1546.1 Ų46.18%0.07929%0.29CS..  trans-76.6141.1176.8-64.6178.8000110.7V129 T131 D166 F167 I178 V182 V216V129-L184 HydrophobicContact CB-CD1 4.2Å; V129-L184 HydrophobicContact CG2-CD1 3.76Å; T131-L184 WeakPolarHBondContact CB-O 3.36Å; T131-L184 HydrophobicContact CG2-CB 4.24Å; T131-L184 WeakPolarHBondContact CG2-O 3.37Å; D166-L184 HydrophobicContact CB-CD2 4.46Å; F167-L184 HydrophobicContact CE1-CD2 4.31Å; F167-L184 HydrophobicContact CE2-CD2 4.3Å; F167-L184 HydrophobicContact CZ-CD2 3.75Å; I178-L184 HydrophobicContact CD1-CD1 3.56Å; I178-L184 HydrophobicContact CD1-CG 4.36Å; I178-L184 HydrophobicContact CG1-CD1 4.12Å; V182-L184 HydrophobicContact CG1-CD2 4.44Å; L184-V216 HydrophobicContact CB-CG1 3.84Å; L184-V216 HydrophobicContact CB-CG2 4.36Å; L184-V216 HydrophobicContact CD2-CG2 4.37Å
185I82.1Confident86.7Confident108 Ų10847.5 Ų47.555%0.55430%0.296SS*.  trans-112.5125-177.6-55.7174000110.1G187 Q188 V216I185-G187 PolarHBondContact O-N 3.1Å; I185-Q188 HydrophobicContact CB-CG 3.91Å; I185-Q188 VanDerWaalsContact O-CB 3.25Å; I185-Q188 WeakPolarHBondContact O-CB 3.11Å; I185-Q188 WeakPolarHBondContact O-CG 3.18Å; I185-Q188 PolarHBondContact O-N 3.3Å; I185-V216 WeakPolarHBondContact O-CB 3.47Å; I185-V216 WeakPolarHBondContact O-CG1 3.2Å
186V79Confident86.8Confident75 Ų7545.5 Ų45.546%0.45529%0.286SS..THydrogen-bonded Turntrans-48.2130.1177.7179.80000111.9T131 Q188 P218T131-V186 HydrophobicContact CG2-CG2 3.61Å; V186-Q188 VanDerWaalsContact C-N 3.26Å; V186-Q188 PolarHBondContact O-N 2.87Å; V186-P218 HydrophobicContact CG1-CB 4.36Å; V186-P218 HydrophobicContact CG1-CG 3.71Å; V186-P218 HydrophobicContact CG2-CB 4.25Å; V186-P218 HydrophobicContact CG2-CG 4.48Å
187G76.6Confident86.8Confident59 Ų5945.8 Ų45.861%0.60829%0.288SS*.THydrogen-bonded Turntrans78.72.1179.700000114.7I185 V216I185-G187 PolarHBondContact O-N 3.1Å; G187-V216 PolarHBondContact N-O 2.86Å
188Q84.4Confident86.9Confident71 Ų7145 Ų4533%0.33228%0.283SS..  trans-64.7136.2158.1-75.8-79-17.500109.3I185 V186 Y190 V216I185-Q188 HydrophobicContact CB-CG 3.91Å; I185-Q188 VanDerWaalsContact O-CB 3.25Å; I185-Q188 WeakPolarHBondContact O-CB 3.11Å; I185-Q188 WeakPolarHBondContact O-CG 3.18Å; I185-Q188 PolarHBondContact O-N 3.3Å; V186-Q188 VanDerWaalsContact C-N 3.26Å; V186-Q188 PolarHBondContact O-N 2.87Å; Q188-Y190 HydrophobicContact CB-CD2 4.34Å; Q188-Y190 HydrophobicContact CB-CE2 3.53Å; Q188-Y190 HydrophobicContact CG-CE2 4.39Å; Q188-V216 HydrophobicContact CB-CB 4.31Å; Q188-V216 HydrophobicContact CB-CG2 3.98Å; Q188-V216 WeakPolarHBondContact O-CB 3.28Å; Q188-V216 WeakPolarHBondContact O-CG2 3.46Å; Q188-V216 PolarHBondContact O-N 3.13Å
189T87.1Confident86.9Confident92 Ų9247.5 Ų47.556%0.56430%0.296SS*.EExtended strand (participates in β ladder)trans-114.4149.3163.546.10000109.8K164 I214 E215K164-T189 PolarHBondContact NZ-O 3.25Å; T189-I214 CarbonylContact C-O 3.38Å; T189-I214 WeakPolarHBondContact CA-O 3.38Å; T189-E215 HydrophobicContact CG2-CB 4.3Å; T189-E215 HydrophobicContact CG2-CG 4.2Å
190Y89.3Confident86.8Confident13 Ų1347.3 Ų47.35%0.05129%0.294CS..EExtended strand (participates in β ladder)trans-131.5150.5177.3-56.9-110.1000108.6G162 K164 D166 F167 Q188 Y213 I214 V216G162-Y190 WeakPolarHBondContact O-CD1 3.04Å; K164-Y190 HydrophobicContact CB-CE1 4.1Å; K164-Y190 HydrophobicContact CD-CD1 3.84Å; K164-Y190 HydrophobicContact CD-CE1 3.44Å; K164-Y190 VanDerWaalsContact CD-CE1 3.44Å; K164-Y190 HydrophobicContact CG-CD1 3.95Å; K164-Y190 HydrophobicContact CG-CE1 3.8Å; D166-Y190 HydrophobicContact CB-CE1 3.83Å; D166-Y190 WeakPolarHBondContact OD2-CE1 3.42Å; D166-Y190 PolarHBondContact OD2-OH 3.38Å; F167-Y190 HydrophobicContact CD2-CD1 4.1Å; F167-Y190 HydrophobicContact CD2-CE1 4.3Å; F167-Y190 HydrophobicContact CD2-CG 4.44Å; F167-Y190 AromaticContact CE2-CD1 3.66Å; F167-Y190 HydrophobicContact CE2-CD1 3.66Å; F167-Y190 AromaticContact CE2-CD2 3.84Å; F167-Y190 HydrophobicContact CE2-CD2 3.84Å; F167-Y190 AromaticContact CE2-CE1 3.76Å; F167-Y190 HydrophobicContact CE2-CE1 3.76Å; F167-Y190 AromaticContact CE2-CE2 3.97Å; F167-Y190 HydrophobicContact CE2-CE2 3.97Å; F167-Y190 AromaticContact CE2-CG 3.71Å; F167-Y190 HydrophobicContact CE2-CG 3.71Å; F167-Y190 AromaticContact CE2-CZ 3.94Å; F167-Y190 HydrophobicContact CZ-CD2 4.39Å; F167-Y190 HydrophobicContact CZ-CE2 4.44Å; Q188-Y190 HydrophobicContact CB-CD2 4.34Å; Q188-Y190 HydrophobicContact CB-CE2 3.53Å; Q188-Y190 HydrophobicContact CG-CE2 4.39Å; Y190-Y213 WeakPolarHBondContact O-CA 3.36Å; Y190-I214 PolarHBondContact N-O 3.22Å; Y190-I214 PolarHBondContact O-N 3.28Å; Y190-V216 HydrophobicContact CD2-CG2 4.16Å; Y190-V216 HydrophobicContact CE2-CG2 3.62Å
191A91.5Very high86.8Confident40 Ų4045 Ų4533%0.33128%0.279SS..EExtended strand (participates in β ladder)trans-130.285.1172.300000106.7G162 T193 T211 V212 Y213G162-A191 WeakPolarHBondContact CA-O 3.38Å; A191-T193 PolarHBondContact O-N 2.85Å; A191-T211 HydrophobicContact CB-CG2 3.95Å; A191-V212 CarbonylContact C-O 3.57Å; A191-V212 WeakPolarHBondContact CA-O 3.42Å; A191-Y213 HydrophobicContact CB-CD1 3.8Å; A191-Y213 HydrophobicContact CB-CE1 3.74Å
192L91.9Very high86.8Confident0 Ų047.3 Ų47.30%028%0.281CS..EExtended strand (participates in β ladder)trans-68.7114.7-178.2-50.5-169.9000108.9I159 F167 V176 V194 T211 V212 I214I159-L192 HydrophobicContact CD1-CD1 4.29Å; F167-L192 HydrophobicContact CB-CD1 4.1Å; F167-L192 HydrophobicContact CD2-CD1 4.49Å; F167-L192 HydrophobicContact CD2-CD2 3.97Å; F167-L192 HydrophobicContact CG-CD1 4.27Å; F167-L192 HydrophobicContact CG-CD2 4.48Å; V176-L192 HydrophobicContact CG1-CD1 3.74Å; L192-V194 HydrophobicContact CB-CG2 3.95Å; L192-V194 PolarHBondContact O-N 3.05Å; L192-T211 CarbonylContact O-C 3.56Å; L192-T211 VanDerWaalsContact O-CA 3.3Å; L192-T211 WeakPolarHBondContact O-CA 3.43Å; L192-V212 HydrophobicContact CB-CB 4.07Å; L192-V212 HydrophobicContact CD1-CB 4.43Å; L192-V212 HydrophobicContact CG-CB 4.31Å; L192-V212 PolarHBondContact N-O 2.92Å; L192-V212 PolarHBondContact O-N 3.25Å; L192-I214 HydrophobicContact CD1-CD1 3.49Å; L192-I214 VanDerWaalsContact CD1-CD1 3.49Å; L192-I214 HydrophobicContact CD2-CD1 4.34Å; L192-I214 HydrophobicContact CG-CD1 3.75Å
193T93Very high86.9Confident33 Ų3350.6 Ų50.620%0.20231%0.311CS..EExtended strand (participates in β ladder)trans-81.4100.4165.2-46.80000107.3L160 V161 A191 I209L160-T193 HydrophobicContact CD1-CG2 4.27Å; L160-T193 PolarHBondContact N-O 2.84Å; V161-T193 PolarHBondContact O-N 2.81Å; A191-T193 PolarHBondContact O-N 2.85Å; T193-I209 HydrophobicContact CG2-CB 4.13Å; T193-I209 HydrophobicContact CG2-CD1 4.08Å; T193-I209 HydrophobicContact CG2-CG2 4.25Å
194V92.5Very high87.1Confident0 Ų047.9 Ų47.90%030%0.298CS..EExtended strand (participates in β ladder)trans-96.6130.4178.3-176.80000109F120 L142 E158 I159 I169 L192 I209 C210 V212F120-V194 HydrophobicContact CZ-CG1 4.14Å; L142-V194 HydrophobicContact CD1-CB 3.86Å; L142-V194 HydrophobicContact CD1-CG1 3.7Å; L142-V194 HydrophobicContact CD1-CG2 3.75Å; E158-V194 WeakPolarHBondContact O-CA 3.47Å; I159-V194 HydrophobicContact CG1-CG2 4.07Å; I169-V194 HydrophobicContact CD1-CG1 3.55Å; L192-V194 HydrophobicContact CB-CG2 3.95Å; L192-V194 PolarHBondContact O-N 3.05Å; V194-I209 CarbonylContact O-C 3.57Å; V194-I209 WeakPolarHBondContact O-CA 3.48Å; V194-C210 PolarHBondContact N-O 3.21Å; V194-C210 PolarHBondContact O-N 2.7Å; V194-V212 HydrophobicContact CG2-CG2 4.13Å
195Q94.1Very high87.4Confident28 Ų2851.6 Ų51.613%0.13131%0.311CS..EExtended strand (participates in β ladder)trans-98.5136.6172.5-169172.2-80.100110Y157 E158 L160 S197 H207 S208 I209Y157-Q195 WeakPolarHBondContact CA-O 3.39Å; E158-Q195 PolarHBondContact N-O 2.88Å; E158-Q195 PolarHBondContact O-N 3.09Å; L160-Q195 HydrophobicContact CD1-CB 3.96Å; L160-Q195 HydrophobicContact CD2-CB 4.06Å; L160-Q195 HydrophobicContact CG-CB 3.82Å; Q195-S197 PolarHBondContact NE2-OG 3.5Å; Q195-H207 HydrophobicContact CG-CB 3.65Å; Q195-H207 PolarHBondContact OE1-CE1 2.86Å; Q195-H207 PolarHBondContact OE1-ND1 2.68Å; Q195-H207 VanDerWaalsContact OE1-ND1 3.16Å; Q195-S208 WeakPolarHBondContact CA-O 3.29Å; Q195-S208 WeakPolarHBondContact CG-O 3.49Å; Q195-I209 HydrophobicContact CB-CG2 4.03Å; Q195-I209 HydrophobicContact CG-CG2 4.13Å
196A93.1Very high87.8Confident0 Ų050.7 Ų50.70%030%0.301CS..EExtended strand (participates in β ladder)trans-105.8127.5159.700000107.5P118 F120 A144 I155 Y157 H207 S208P118-A196 HydrophobicContact CB-CB 3.71Å; F120-A196 HydrophobicContact CD2-CB 4.46Å; F120-A196 HydrophobicContact CE1-CB 4.09Å; F120-A196 HydrophobicContact CE2-CB 3.62Å; F120-A196 HydrophobicContact CZ-CB 3.41Å; F120-A196 VanDerWaalsContact CZ-CB 3.41Å; A144-A196 HydrophobicContact CB-CB 3.48Å; A144-A196 VanDerWaalsContact CB-CB 3.48Å; I155-A196 HydrophobicContact CG2-CB 3.76Å; Y157-A196 HydrophobicContact CD1-CB 3.81Å; Y157-A196 HydrophobicContact CE1-CB 3.79Å; A196-H207 CarbonylContact O-C 3.58Å; A196-H207 WeakPolarHBondContact O-CA 3.49Å; A196-H207 WeakPolarHBondContact O-CB 3.48Å; A196-S208 PolarHBondContact N-O 3.49Å; A196-S208 PolarHBondContact O-N 2.89Å
197S92.3Very high88.4Confident6 Ų652 Ų524%0.04230%0.302CS..EExtended strand (participates in β ladder)trans-131.8138.5-179.8-59.10000109.8S156 Q195 R206 H207S156-S197 WeakPolarHBondContact CA-O 3.16Å; S156-S197 PolarHBondContact N-O 3.06Å; S156-S197 PolarHBondContact O-N 3.35Å; S156-S197 VanDerWaalsContact O-O 3.1Å; S156-S197 PolarHBondContact OG-O 3.13Å; Q195-S197 PolarHBondContact NE2-OG 3.5Å; S197-R206 WeakPolarHBondContact CA-O 3.26Å; S197-H207 WeakPolarHBondContact OG-CB 3.46Å
198D92.4Very high89.2Confident0 Ų050.4 Ų50.40%028%0.282CS..EExtended strand (participates in β ladder)trans-61.6169.117158.964.5000111.7N114 P118 N152 E154 A200 R205 R206N114-D198 PolarHBondContact ND2-OD2 2.77Å; N114-D198 PolarHBondContact OD1-OD2 2.97Å; P118-D198 HydrophobicContact CG-CB 4.28Å; N152-D198 WeakPolarHBondContact O-CB 3.36Å; E154-D198 CarbonylContact O-C 3.53Å; D198-A200 VanDerWaalsContact C-N 3.34Å; D198-A200 HydrophobicContact CB-CB 4.46Å; D198-A200 WeakPolarHBondContact OD1-CA 3.25Å; D198-A200 WeakPolarHBondContact OD1-CB 3.42Å; D198-A200 PolarHBondContact OD1-N 3.09Å; D198-R205 WeakPolarHBondContact O-CD 3.31Å; D198-R205 PolarHBondContact O-NE 2.83Å; D198-R205 PolarHBondContact O-NH1 3.25Å; D198-R205 VanDerWaalsContact OD1-CA 3.3Å; D198-R205 WeakPolarHBondContact OD1-CA 3.35Å; D198-R205 WeakPolarHBondContact OD1-CB 3.39Å; D198-R205 VanDerWaalsContact OD1-CG 3.3Å; D198-R205 WeakPolarHBondContact OD1-CG 3.42Å; D198-R205 IonicContact OD1-NE 3.14Å; D198-R206 PolarHBondContact N-O 2.87Å; D198-R206 WeakPolarHBondContact OD2-CA 3.42Å; D198-R206 WeakPolarHBondContact OD2-CB 3.4Å; D198-R206 PolarHBondContact OD2-N 3.27Å
199N87.6Confident89.6Confident54 Ų5451.5 Ų51.529%0.28929%0.289SS..SBendtrans-92.811.9171.6-84.2-23.6000113S151 E154 S156 R205S151-N199 CarbonylContact O-C 3.5Å; S151-N199 WeakPolarHBondContact O-CA 2.99Å; S151-N199 VanDerWaalsContact O-CB 3.28Å; S151-N199 WeakPolarHBondContact O-CB 3.4Å; S151-N199 PolarHBondContact O-N 2.67Å; E154-N199 HydrophobicContact CB-CB 4.34Å; E154-N199 WeakPolarHBondContact O-CB 3.33Å; E154-N199 PolarHBondContact O-N 3.26Å; E154-N199 PolarHBondContact OE2-ND2 3.34Å; S156-N199 WeakPolarHBondContact CB-OD1 3.47Å; N199-R205 VanDerWaalsContact C-NH2 3.34Å; N199-R205 PolarHBondContact O-NH2 3.08Å
200A86.3Confident89.8Confident0 Ų047.1 Ų47.10%026%0.262CS..SBendtrans-61.6164.917700000111.7N114 S151 N152 D198 R205N114-A200 HydrophobicContact CB-CB 4.08Å; N114-A200 WeakPolarHBondContact OD1-CB 3.08Å; S151-A200 PolarHBondContact O-N 2.63Å; N152-A200 VanDerWaalsContact OD1-CB 3.26Å; N152-A200 WeakPolarHBondContact OD1-CB 3.04Å; D198-A200 VanDerWaalsContact C-N 3.34Å; D198-A200 HydrophobicContact CB-CB 4.46Å; D198-A200 WeakPolarHBondContact OD1-CA 3.25Å; D198-A200 WeakPolarHBondContact OD1-CB 3.42Å; D198-A200 PolarHBondContact OD1-N 3.09Å; A200-R205 PolarHBondContact O-NE 3.4Å; A200-R205 VanDerWaalsContact O-NE 3.09Å; A200-R205 PolarHBondContact O-NH2 3.29Å
201P84.7Confident89.9Confident65 Ų6548.3 Ų48.342%0.42227%0.27SS..  trans-53.4142.7-179.1-26.936.3000112A203 E204 R205P201-A203 PolarHBondContact O-N 3.28Å; P201-E204 PolarHBondContact O-N 2.73Å; P201-R205 PolarHBondContact O-N 3.28Å
202P82.5Confident90Very high125 Ų12546.4 Ų46.481%0.81226%0.255SS*.THydrogen-bonded Turntrans-60.5-2.1-173.9-27.435.7000117.5
203A84.2Confident89.9Confident100 Ų10051.5 Ų51.583%0.82628%0.275SS*.THydrogen-bonded Turntrans-98-18.217300000113.7P201P201-A203 PolarHBondContact O-N 3.28Å
204E83.9Confident89.8Confident121 Ų12150 Ų5057%0.56527%0.265SS*.THydrogen-bonded Turntrans-115.3-13.9-175.9-71.9161.2-165.700112.1N114 P201 R206N114-E204 PolarHBondContact ND2-O 3.23Å; P201-E204 PolarHBondContact O-N 2.73Å; E204-R206 PolarHBondContact O-N 3Å
205R87.5Confident89.4Confident94 Ų9454.1 Ų54.136%0.35529%0.285SS..  trans-56.3128.2179.3180169.5-55.6-147.6-1.7113.7D198 N199 A200 P201D198-R205 WeakPolarHBondContact O-CD 3.31Å; D198-R205 PolarHBondContact O-NE 2.83Å; D198-R205 PolarHBondContact O-NH1 3.25Å; D198-R205 VanDerWaalsContact OD1-CA 3.3Å; D198-R205 WeakPolarHBondContact OD1-CA 3.35Å; D198-R205 WeakPolarHBondContact OD1-CB 3.39Å; D198-R205 VanDerWaalsContact OD1-CG 3.3Å; D198-R205 WeakPolarHBondContact OD1-CG 3.42Å; D198-R205 IonicContact OD1-NE 3.14Å; N199-R205 VanDerWaalsContact C-NH2 3.34Å; N199-R205 PolarHBondContact O-NH2 3.08Å; A200-R205 PolarHBondContact O-NE 3.4Å; A200-R205 VanDerWaalsContact O-NE 3.09Å; A200-R205 PolarHBondContact O-NH2 3.29Å; P201-R205 PolarHBondContact O-N 3.28Å
206R89.9Confident89Confident89 Ų8952.8 Ų52.834%0.33628%0.279SS..  trans-111.6166.9178.2-61.8171.2176.5-135.315110N114 D115 N116 T117 S197 D198 E204N114-R206 WeakPolarHBondContact ND2-CG 3.47Å; N114-R206 PolarHBondContact O-NE 2.61Å; N114-R206 PolarHBondContact O-NH2 3.28Å; D115-R206 VanDerWaalsContact CA-NH2 3.3Å; D115-R206 PolarHBondContact O-NH1 2.81Å; D115-R206 PolarHBondContact O-NH2 2.97Å; N116-R206 WeakPolarHBondContact O-CD 3.28Å; N116-R206 PolarHBondContact O-NH1 2.89Å; N116-R206 VanDerWaalsContact O-NH1 3.16Å; T117-R206 HydrophobicContact CG2-CB 4.22Å; S197-R206 WeakPolarHBondContact CA-O 3.26Å; D198-R206 PolarHBondContact N-O 2.87Å; D198-R206 WeakPolarHBondContact OD2-CA 3.42Å; D198-R206 WeakPolarHBondContact OD2-CB 3.4Å; D198-R206 PolarHBondContact OD2-N 3.27Å; E204-R206 PolarHBondContact O-N 3Å
207H91.2Very high88.1Confident101 Ų10154.9 Ų54.947%0.46829%0.29SS..EExtended strand (participates in β ladder)trans-164.6152-17957.894.4000113.5Q195 A196 S197Q195-H207 HydrophobicContact CG-CB 3.65Å; Q195-H207 PolarHBondContact OE1-CE1 2.86Å; Q195-H207 PolarHBondContact OE1-ND1 2.68Å; Q195-H207 VanDerWaalsContact OE1-ND1 3.16Å; A196-H207 CarbonylContact O-C 3.58Å; A196-H207 WeakPolarHBondContact O-CA 3.49Å; A196-H207 WeakPolarHBondContact O-CB 3.48Å; S197-H207 WeakPolarHBondContact OG-CB 3.46Å
208S93.1Very high87Confident27 Ų2756.7 Ų56.719%0.18930%0.301CS..EExtended strand (participates in β ladder)trans-118.5171.6161.785.60000111.3P118 F120 Q195 A196P118-S208 WeakPolarHBondContact O-CB 3.32Å; P118-S208 PolarHBondContact O-OG 2.78Å; F120-S208 WeakPolarHBondContact CD2-OG 3.48Å; Q195-S208 WeakPolarHBondContact CA-O 3.29Å; Q195-S208 WeakPolarHBondContact CG-O 3.49Å; A196-S208 PolarHBondContact N-O 3.49Å; A196-S208 PolarHBondContact O-N 2.89Å
209I92.9Very high85.7Confident93 Ų9357.7 Ų57.748%0.47731%0.308SS..EExtended strand (participates in β ladder)trans-131.2142.7177.855.5172.2000111.7L160 T193 V194 Q195L160-I209 HydrophobicContact CD1-CG2 3.85Å; T193-I209 HydrophobicContact CG2-CB 4.13Å; T193-I209 HydrophobicContact CG2-CD1 4.08Å; T193-I209 HydrophobicContact CG2-CG2 4.25Å; V194-I209 CarbonylContact O-C 3.57Å; V194-I209 WeakPolarHBondContact O-CA 3.48Å; Q195-I209 HydrophobicContact CB-CG2 4.03Å; Q195-I209 HydrophobicContact CG-CG2 4.13Å
210C92Very high84Confident1 Ų158 Ų581%0.00731%0.309CS..EExtended strand (participates in β ladder)trans-123.6161.3166.768.80000110.8F120 I123 Y125 V194F120-C210 HydrophobicContact CB-CB 4.02Å; F120-C210 HydrophobicContact CD1-CB 4.36Å; F120-C210 HydrophobicContact CD2-CB 3.59Å; F120-C210 HydrophobicContact CE2-CB 4.07Å; F120-C210 HydrophobicContact CG-CB 3.74Å; I123-C210 WeakPolarHBondContact O-CA 3.27Å; Y125-C210 HydrophobicContact CD2-CB 4.34Å; Y125-C210 HydrophobicContact CE2-CB 4.01Å; V194-C210 PolarHBondContact N-O 3.21Å; V194-C210 PolarHBondContact O-N 2.7Å
211T92Very high82.3Confident37 Ų3758.9 Ų58.923%0.22731%0.314CS..EExtended strand (participates in β ladder)trans-109.3110.5176.8-52.70000111.4I123 S124 Y125 A191 L192 Y213I123-T211 PolarHBondContact O-N 3.01Å; S124-T211 CarbonylContact C-O 3.16Å; S124-T211 WeakPolarHBondContact CA-O 3.26Å; S124-T211 WeakPolarHBondContact CB-O 3.17Å; Y125-T211 PolarHBondContact N-O 2.8Å; A191-T211 HydrophobicContact CB-CG2 3.95Å; L192-T211 CarbonylContact O-C 3.56Å; L192-T211 VanDerWaalsContact O-CA 3.3Å; L192-T211 WeakPolarHBondContact O-CA 3.43Å; T211-Y213 HydrophobicContact CG2-CD1 4.19Å; T211-Y213 HydrophobicContact CG2-CE1 3.72Å; T211-Y213 HydrophobicContact CG2-CE2 4.08Å; T211-Y213 PolarHBondContact O-N 3.47Å
212V92Very high81Confident0 Ų060.5 Ų60.50%032%0.316CS..EExtended strand (participates in β ladder)trans-87.3109.7170.1-167.90000109Y125 V127 I140 L142 A191 L192 V194 I214Y125-V212 CarbonylContact O-C 3.57Å; Y125-V212 WeakPolarHBondContact O-CA 3.46Å; V127-V212 HydrophobicContact CB-CG1 4.33Å; V127-V212 HydrophobicContact CG2-CG1 3.63Å; I140-V212 HydrophobicContact CG2-CG1 3.98Å; I140-V212 HydrophobicContact CG2-CG2 4.4Å; L142-V212 HydrophobicContact CD1-CG2 3.79Å; L142-V212 HydrophobicContact CD2-CG2 3.91Å; L142-V212 HydrophobicContact CG-CG2 4.37Å; A191-V212 CarbonylContact C-O 3.57Å; A191-V212 WeakPolarHBondContact CA-O 3.42Å; L192-V212 HydrophobicContact CB-CB 4.07Å; L192-V212 HydrophobicContact CD1-CB 4.43Å; L192-V212 HydrophobicContact CG-CB 4.31Å; L192-V212 PolarHBondContact N-O 2.92Å; L192-V212 PolarHBondContact O-N 3.25Å; V194-V212 HydrophobicContact CG2-CG2 4.13Å; V212-I214 HydrophobicContact CG1-CD1 4.3Å; V212-I214 HydrophobicContact CG1-CG1 3.8Å
213Y90.7Very high79.8Confident108 Ų10855.6 Ų55.642%0.42429%0.285SS..EExtended strand (participates in β ladder)trans-78.6121.3167.3-63.8-65.4000108.7Y125 D126 V127 Y190 A191 T211Y125-Y213 PolarHBondContact O-N 2.95Å; D126-Y213 WeakPolarHBondContact OD1-CB 3.36Å; D126-Y213 WeakPolarHBondContact OD1-CD2 3.33Å; V127-Y213 PolarHBondContact N-O 2.87Å; Y190-Y213 WeakPolarHBondContact O-CA 3.36Å; A191-Y213 HydrophobicContact CB-CD1 3.8Å; A191-Y213 HydrophobicContact CB-CE1 3.74Å; T211-Y213 HydrophobicContact CG2-CD1 4.19Å; T211-Y213 HydrophobicContact CG2-CE1 3.72Å; T211-Y213 HydrophobicContact CG2-CE2 4.08Å; T211-Y213 PolarHBondContact O-N 3.47Å
214I90.4Very high78.9Confident1 Ų153.7 Ų53.71%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-118.3118.7177.2-57.8172000108.2V127 V129 V139 F167 T189 Y190 L192 V212V127-I214 HydrophobicContact CB-CG1 4.38Å; V127-I214 WeakPolarHBondContact O-CA 3.37Å; V129-I214 HydrophobicContact CB-CG2 4.11Å; V129-I214 HydrophobicContact CG1-CG2 3.69Å; V129-I214 HydrophobicContact CG2-CG2 3.33Å; V139-I214 HydrophobicContact CG1-CD1 3.91Å; V139-I214 HydrophobicContact CG1-CG1 4.41Å; F167-I214 HydrophobicContact CD1-CD1 4.09Å; F167-I214 HydrophobicContact CD2-CD1 4.19Å; F167-I214 HydrophobicContact CE1-CD1 3.91Å; F167-I214 HydrophobicContact CE1-CG2 4.47Å; F167-I214 HydrophobicContact CE2-CD1 4.01Å; F167-I214 HydrophobicContact CG-CD1 4.23Å; F167-I214 HydrophobicContact CZ-CD1 3.86Å; F167-I214 HydrophobicContact CZ-CG2 3.93Å; T189-I214 CarbonylContact C-O 3.38Å; T189-I214 WeakPolarHBondContact CA-O 3.38Å; Y190-I214 PolarHBondContact N-O 3.22Å; Y190-I214 PolarHBondContact O-N 3.28Å; L192-I214 HydrophobicContact CD1-CD1 3.49Å; L192-I214 VanDerWaalsContact CD1-CD1 3.49Å; L192-I214 HydrophobicContact CD2-CD1 4.34Å; L192-I214 HydrophobicContact CG-CD1 3.75Å; V212-I214 HydrophobicContact CG1-CD1 4.3Å; V212-I214 HydrophobicContact CG1-CG1 3.8Å
215E85.3Confident78.4Confident86 Ų8647.9 Ų47.940%0.40224%0.237SC..EExtended strand (participates in β ladder)trans-99.2123.1168.4-176.2173.2-17800109.6V127 Y128 V129 T189 L217V127-E215 PolarHBondContact O-N 2.85Å; Y128-E215 HydrophobicContact CD1-CB 4.01Å; Y128-E215 HydrophobicContact CE1-CB 4.15Å; V129-E215 PolarHBondContact N-O 3.48Å; V129-E215 VanDerWaalsContact N-O 3.07Å; T189-E215 HydrophobicContact CG2-CB 4.3Å; T189-E215 HydrophobicContact CG2-CG 4.2Å; E215-L217 HydrophobicContact CG-CD2 4.05Å; E215-L217 PolarHBondContact O-N 3.45Å
216V85.6Confident78Confident1 Ų151.2 Ų51.21%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-8298.2174.2-176.50000109V129 T131 L184 I185 G187 Q188 Y190V129-V216 HydrophobicContact CG2-CB 4.29Å; V129-V216 HydrophobicContact CG2-CG2 3.77Å; V129-V216 CarbonylContact O-C 3.5Å; T131-V216 HydrophobicContact CG2-CG1 3.47Å; T131-V216 VanDerWaalsContact CG2-CG1 3.47Å; L184-V216 HydrophobicContact CB-CG1 3.84Å; L184-V216 HydrophobicContact CB-CG2 4.36Å; L184-V216 HydrophobicContact CD2-CG2 4.37Å; I185-V216 WeakPolarHBondContact O-CB 3.47Å; I185-V216 WeakPolarHBondContact O-CG1 3.2Å; G187-V216 PolarHBondContact N-O 2.86Å; Q188-V216 HydrophobicContact CB-CB 4.31Å; Q188-V216 HydrophobicContact CB-CG2 3.98Å; Q188-V216 WeakPolarHBondContact O-CB 3.28Å; Q188-V216 WeakPolarHBondContact O-CG2 3.46Å; Q188-V216 PolarHBondContact O-N 3.13Å; Y190-V216 HydrophobicContact CD2-CG2 4.16Å; Y190-V216 HydrophobicContact CE2-CG2 3.62Å
217L73.1Confident77.7Confident44 Ų4447.1 Ų47.123%0.2323%0.234CC..EExtended strand (participates in β ladder)trans-74.9156.7171.2-64.2-173.1000111.2Y128 V129 Y130 T131 E215Y128-L217 HydrophobicContact CD1-CD1 3.66Å; Y128-L217 HydrophobicContact CD1-CD2 4.19Å; Y128-L217 HydrophobicContact CD1-CG 3.84Å; Y128-L217 HydrophobicContact CE1-CD1 4.47Å; Y128-L217 HydrophobicContact CG-CD1 3.82Å; Y128-L217 HydrophobicContact CG-CG 4.37Å; V129-L217 PolarHBondContact O-N 2.89Å; Y130-L217 HydrophobicContact CD1-CB 3.79Å; Y130-L217 HydrophobicContact CE1-CB 3.94Å; Y130-L217 HydrophobicContact CE1-CD1 3.84Å; Y130-L217 HydrophobicContact CE1-CG 4.49Å; T131-L217 PolarHBondContact N-O 2.98Å; E215-L217 HydrophobicContact CG-CD2 4.05Å; E215-L217 PolarHBondContact O-N 3.45Å
218P69.8Low77Confident44 Ų4446.1 Ų46.129%0.28624%0.236SC..SBendtrans-56.4146.7162.3-1325.8000110.5Y130 V186 Q222Y130-P218 WeakPolarHBondContact CD1-O 3.48Å; V186-P218 HydrophobicContact CG1-CB 4.36Å; V186-P218 HydrophobicContact CG1-CG 3.71Å; V186-P218 HydrophobicContact CG2-CB 4.25Å; V186-P218 HydrophobicContact CG2-CG 4.48Å; P218-Q222 HydrophobicContact CB-CG 3.6Å
219P64.9Low76.5Confident21 Ų2150.1 Ų50.114%0.13625%0.252CS..  trans-34.9140.9-173.6-38.337.1000117.1T131 D132 N221 Q222T131-P219 VanDerWaalsContact OG1-CD 3.27Å; T131-P219 WeakPolarHBondContact OG1-CD 3.4Å; T131-P219 VanDerWaalsContact OG1-CG 3.28Å; T131-P219 WeakPolarHBondContact OG1-CG 3.46Å; D132-P219 HydrophobicContact CB-CB 3.88Å; D132-P219 HydrophobicContact CB-CG 4.17Å; D132-P219 WeakPolarHBondContact OD1-CA 3.31Å; D132-P219 WeakPolarHBondContact OD1-CB 3.33Å; P219-N221 CarbonylContact O-C 3.56Å; P219-N221 PolarHBondContact O-N 2.62Å; P219-N221 VanDerWaalsContact O-N 3.13Å; P219-Q222 HydrophobicContact CB-CG 4.03Å; P219-Q222 HydrophobicContact CG-CG 4.42Å; P219-Q222 WeakPolarHBondContact O-CG 3.17Å; P219-Q222 PolarHBondContact O-N 2.95Å
220N52.2Low75.9Confident61 Ų6151.6 Ų51.633%0.32626%0.26SS..THydrogen-bonded Turntrans-81.422.3169.9-149.470.3000112.1Y130 D132 E255Y130-N220 HydrophobicContact CD1-CB 3.56Å; Y130-N220 HydrophobicContact CD2-CB 3.79Å; Y130-N220 HydrophobicContact CE1-CB 3.59Å; Y130-N220 VanDerWaalsContact CE1-OD1 3.27Å; Y130-N220 WeakPolarHBondContact CE1-OD1 3.36Å; Y130-N220 HydrophobicContact CE2-CB 3.85Å; Y130-N220 HydrophobicContact CG-CB 3.62Å; Y130-N220 VanDerWaalsContact CZ-OD1 3.26Å; Y130-N220 PolarHBondContact OH-OD1 3.4Å; Y130-N220 VanDerWaalsContact OH-OD1 3.13Å; D132-N220 PolarHBondContact OD1-N 3.06Å; N220-E255 WeakPolarHBondContact O-CB 3.48Å; N220-E255 WeakPolarHBondContact O-CG 3.38Å
221N51.5Low75.5Confident17 Ų1757.7 Ų57.79%0.09129%0.29CS..THydrogen-bonded Turntrans-143.491.6135.9-163.8-32.3000108.9P219 S223 D253 D257 D303P219-N221 CarbonylContact O-C 3.56Å; P219-N221 PolarHBondContact O-N 2.62Å; P219-N221 VanDerWaalsContact O-N 3.13Å; N221-S223 VanDerWaalsContact C-N 3.27Å; N221-S223 PolarHBondContact OD1-N 2.97Å; N221-S223 VanDerWaalsContact OD1-N 3.09Å; N221-D253 PolarHBondContact ND2-OD1 3.38Å; N221-D253 PolarHBondContact ND2-OD2 3.12Å; N221-D257 PolarHBondContact ND2-OD2 2.81Å; N221-D303 PolarHBondContact ND2-OD2 2.68Å
222Q55.6Low75.3Confident99 Ų9956.8 Ų56.846%0.46328%0.283SS..  trans-83.5-5.5174.2-87.8-111.7-79.200112.7P218 P219 E255P218-Q222 HydrophobicContact CB-CG 3.6Å; P219-Q222 HydrophobicContact CB-CG 4.03Å; P219-Q222 HydrophobicContact CG-CG 4.42Å; P219-Q222 WeakPolarHBondContact O-CG 3.17Å; P219-Q222 PolarHBondContact O-N 2.95Å; Q222-E255 PolarHBondContact N-OE2 2.73Å
223S57.6Low75.1Confident23 Ų2360.7 Ų60.716%0.16131%0.31CS..SBendtrans-142.863.5-142.9-45.50000110.2N221 R254 E255N221-S223 VanDerWaalsContact C-N 3.27Å; N221-S223 PolarHBondContact OD1-N 2.97Å; N221-S223 VanDerWaalsContact OD1-N 3.09Å; S223-R254 WeakPolarHBondContact OG-CD 3.35Å; S223-R254 PolarHBondContact OG-NH1 2.95Å; S223-E255 VanDerWaalsContact CB-OE1 3.32Å; S223-E255 WeakPolarHBondContact CB-OE1 3.35Å; S223-E255 WeakPolarHBondContact CB-OE2 3.4Å; S223-E255 PolarHBondContact OG-OE1 3.02Å; S223-E255 PolarHBondContact OG-OE2 2.74Å
224P66.5Low74.9Confident59 Ų5956.5 Ų56.538%0.38330%0.295SS..THydrogen-bonded Turntrans-47.7128.6-165.822.1-36.6000110.9R226P224-R226 WeakPolarHBondContact O-CA 3.32Å; P224-R226 PolarHBondContact O-N 3.03Å
225P72.7Confident74.8Confident0 Ų063.3 Ų63.30%033%0.327CS..THydrogen-bonded Turntrans-43.1103.5-152.79.5-30000111.9F227 A251 D253 I259 D303 G308 S310P225-F227 PolarHBondContact O-N 2.83Å; P225-A251 HydrophobicContact CB-CB 4.25Å; P225-A251 WeakPolarHBondContact O-CB 3.09Å; P225-D253 HydrophobicContact CB-CB 4.37Å; P225-I259 HydrophobicContact CB-CD1 3.65Å; P225-I259 HydrophobicContact CB-CG1 3.83Å; P225-I259 HydrophobicContact CB-CG2 4.06Å; P225-I259 HydrophobicContact CG-CG2 4.39Å; P225-D303 WeakPolarHBondContact CD-OD2 3.32Å; P225-D303 HydrophobicContact CG-CB 3.77Å; P225-G308 VanDerWaalsContact CD-O 3.25Å; P225-G308 WeakPolarHBondContact CD-O 3.35Å; P225-G308 VanDerWaalsContact CG-O 3.31Å; P225-G308 WeakPolarHBondContact CG-O 3.35Å; P225-S310 WeakPolarHBondContact O-CB 3.23Å; P225-S310 PolarHBondContact O-OG 2.9Å
226R79.6Confident75Confident164 Ų16459.3 Ų59.362%0.61931%0.308SS*.BIsolated β-bridgetrans-87.2108.7-156.7-167.2171.7-176.5-81.8-0.5109.4P224 P228 T252P224-R226 WeakPolarHBondContact O-CA 3.32Å; P224-R226 PolarHBondContact O-N 3.03Å; R226-P228 WeakPolarHBondContact O-CD 3.3Å; R226-T252 PolarHBondContact N-O 2.89Å; R226-T252 PolarHBondContact O-N 2.98Å; R226-T252 PolarHBondContact O-OG1 3.09Å
227F82.9Confident75.1Confident3 Ų361.2 Ų61.21%0.01332%0.321CS..  trans-51.4127.6162.5-74.8-57.7000109.3P225 Q229 Y232 L249 A251 Y261 V299 A301 S310 A312P225-F227 PolarHBondContact O-N 2.83Å; F227-Q229 WeakPolarHBondContact CB-O 3.44Å; F227-Q229 PolarHBondContact O-N 3.46Å; F227-Y232 HydrophobicContact CB-CE2 4.36Å; F227-Y232 AromaticContact CD1-CE2 3.98Å; F227-Y232 HydrophobicContact CD1-CE2 3.98Å; F227-Y232 WeakPolarHBondContact CD1-OH 3.23Å; F227-Y232 HydrophobicContact CE1-CE2 4.48Å; F227-Y232 HydrophobicContact CG-CE2 4.21Å; F227-L249 HydrophobicContact CE1-CB 4.1Å; F227-L249 HydrophobicContact CE1-CD2 3.92Å; F227-L249 HydrophobicContact CZ-CD2 4.37Å; F227-A251 HydrophobicContact CD1-CB 3.8Å; F227-A251 HydrophobicContact CE1-CB 4.12Å; F227-A251 HydrophobicContact CG-CB 4.28Å; F227-Y261 HydrophobicContact CE1-CD1 4.08Å; F227-Y261 AromaticContact CE1-CE1 3.92Å; F227-Y261 HydrophobicContact CE1-CE1 3.92Å; F227-Y261 HydrophobicContact CZ-CD1 4.17Å; F227-Y261 HydrophobicContact CZ-CE1 4.37Å; F227-V299 HydrophobicContact CZ-CG1 4.12Å; F227-A301 HydrophobicContact CD1-CB 4.46Å; F227-A301 HydrophobicContact CD2-CB 4.26Å; F227-A301 HydrophobicContact CE1-CB 3.79Å; F227-A301 HydrophobicContact CE2-CB 3.58Å; F227-A301 HydrophobicContact CZ-CB 3.32Å; F227-S310 WeakPolarHBondContact CD2-OG 3.35Å; F227-A312 HydrophobicContact CB-CB 4.47Å; F227-A312 HydrophobicContact CD2-CB 3.52Å; F227-A312 HydrophobicContact CE2-CB 3.74Å; F227-A312 HydrophobicContact CG-CB 3.99Å; F227-A312 HydrophobicContact CZ-CB 4.37Å
228P77Confident75.9Confident80 Ų8060.1 Ų60.152%0.51932%0.315SS..SBendtrans-56.4-21.8173.6-29.336.2000113.3R226 Q250R226-P228 WeakPolarHBondContact O-CD 3.3Å; P228-Q250 WeakPolarHBondContact CD-O 3.46Å; P228-Q250 WeakPolarHBondContact CG-O 3.49Å
229Q82.4Confident76.8Confident110 Ų11061.2 Ų61.251%0.51433%0.328SS..  trans-139.4130.6178.2-60.5176.1-11.100110.2F227 M231 Y232F227-Q229 WeakPolarHBondContact CB-O 3.44Å; F227-Q229 PolarHBondContact O-N 3.46Å; Q229-M231 VanDerWaalsContact C-N 3.26Å; Q229-M231 PolarHBondContact O-N 2.99Å; Q229-Y232 HydrophobicContact CB-CD1 4.23Å; Q229-Y232 HydrophobicContact CB-CE1 3.91Å; Q229-Y232 HydrophobicContact CG-CE1 4.42Å; Q229-Y232 WeakPolarHBondContact O-CE2 3.43Å
230L79.9Confident77.8Confident125 Ų12563.2 Ų63.265%0.65434%0.336SS*.SBendtrans-77.6-11.7173.7-65.9172.3000113.1T311 A312 T313L230-T311 WeakPolarHBondContact CD2-O 3.34Å; L230-A312 VanDerWaalsContact O-CA 3.25Å; L230-A312 WeakPolarHBondContact O-CA 3.24Å; L230-T313 PolarHBondContact O-N 3.38Å
231M84.8Confident79.5Confident128 Ų12870.2 Ų70.263%0.63136%0.358SS*.EExtended strand (participates in β ladder)trans-137.5120.9173.6-68.1-175.269.700109.1Q229 T313Q229-M231 VanDerWaalsContact C-N 3.26Å; Q229-M231 PolarHBondContact O-N 2.99Å; M231-T313 CarbonylContact C-O 3.45Å; M231-T313 WeakPolarHBondContact CA-O 3.49Å
232Y85.9Confident81.2Confident18 Ų1874.7 Ų74.77%0.07138%0.381CS..EExtended strand (participates in β ladder)trans-102.397.2169.9-61.7-83.5000107.4F227 Q229 L247 L249 A312 T313 V314 N315F227-Y232 HydrophobicContact CB-CE2 4.36Å; F227-Y232 AromaticContact CD1-CE2 3.98Å; F227-Y232 HydrophobicContact CD1-CE2 3.98Å; F227-Y232 WeakPolarHBondContact CD1-OH 3.23Å; F227-Y232 HydrophobicContact CE1-CE2 4.48Å; F227-Y232 HydrophobicContact CG-CE2 4.21Å; Q229-Y232 HydrophobicContact CB-CD1 4.23Å; Q229-Y232 HydrophobicContact CB-CE1 3.91Å; Q229-Y232 HydrophobicContact CG-CE1 4.42Å; Q229-Y232 WeakPolarHBondContact O-CE2 3.43Å; Y232-L247 HydrophobicContact CD1-CD1 4.03Å; Y232-L247 HydrophobicContact CD1-CD2 3.86Å; Y232-L247 HydrophobicContact CD1-CG 4.46Å; Y232-L247 HydrophobicContact CD2-CD2 4.1Å; Y232-L247 HydrophobicContact CG-CD2 3.6Å; Y232-L249 HydrophobicContact CD2-CD2 3.68Å; Y232-L249 HydrophobicContact CE2-CD2 3.53Å; Y232-L249 HydrophobicContact CG-CD2 4.41Å; Y232-A312 HydrophobicContact CD2-CB 3.74Å; Y232-A312 HydrophobicContact CE2-CB 3.57Å; Y232-T313 PolarHBondContact N-O 3.01Å; Y232-V314 HydrophobicContact CD2-CG2 4.39Å; Y232-V314 CarbonylContact O-C 3.57Å; Y232-V314 VanDerWaalsContact O-CA 3.24Å; Y232-V314 WeakPolarHBondContact O-CA 3.05Å; Y232-N315 PolarHBondContact O-N 3Å
233S89.1Confident82.6Confident82 Ų8272.7 Ų72.757%0.57339%0.387SS*.EExtended strand (participates in β ladder)trans-84.7122.4167.2-1600000108N315S233-N315 WeakPolarHBondContact CA-O 3.25Å; S233-N315 PolarHBondContact OG-ND2 2.82Å; S233-N315 VanDerWaalsContact OG-ND2 3.15Å
234L86.7Confident83.9Confident21 Ų2172.8 Ų72.811%0.1139%0.389CS..EExtended strand (participates in β ladder)trans-130.8132.5177.254.588.9000110.9V236 L247 V314 N315 I316 V317L234-V236 HydrophobicContact CD1-CG2 3.34Å; L234-L247 HydrophobicContact CD2-CB 3.7Å; L234-L247 HydrophobicContact CD2-CD1 3.99Å; L234-L247 HydrophobicContact CD2-CD2 3.8Å; L234-L247 HydrophobicContact CD2-CG 4.04Å; L234-V314 HydrophobicContact CD1-CG1 4.45Å; L234-V314 HydrophobicContact CD2-CG1 3.58Å; L234-V314 HydrophobicContact CG-CG1 3.91Å; L234-N315 PolarHBondContact N-O 2.86Å; L234-I316 HydrophobicContact CD1-CB 4.19Å; L234-I316 HydrophobicContact CD1-CD1 3.96Å; L234-I316 HydrophobicContact CD1-CG1 3.64Å; L234-I316 HydrophobicContact CD1-CG2 4.01Å; L234-I316 HydrophobicContact CG-CG1 4.31Å; L234-I316 WeakPolarHBondContact O-CA 3.2Å; L234-V317 PolarHBondContact O-N 3.4Å; L234-V317 VanDerWaalsContact O-N 3.13Å
235E87.8Confident85Confident143 Ų14375 Ų7567%0.66840%0.396SS*.EExtended strand (participates in β ladder)trans-95.6117.4178.9-78.7170.3-161.400107.8V317 T319E235-V317 WeakPolarHBondContact CA-O 3.25Å; E235-V317 HydrophobicContact CG-CB 4.21Å; E235-T319 HydrophobicContact CB-CG2 3.65Å; E235-T319 HydrophobicContact CG-CG2 3.71Å
236V88.2Confident85.7Confident3 Ų376.2 Ų76.22%0.01840%0.403CS..EExtended strand (participates in β ladder)trans-113.8103.3-176.8-176.40000107.6L234 E238 M240 L246 L287 I316 V317 V318 T319L234-V236 HydrophobicContact CD1-CG2 3.34Å; V236-E238 PolarHBondContact O-N 3.44Å; V236-M240 HydrophobicContact CG1-CB 3.65Å; V236-M240 HydrophobicContact CG1-CE 4.21Å; V236-M240 HydrophobicContact CG1-CG 3.82Å; V236-L246 HydrophobicContact CG1-CD2 3.87Å; V236-L246 HydrophobicContact CG2-CD1 4.28Å; V236-L246 HydrophobicContact CG2-CD2 3.99Å; V236-L287 HydrophobicContact CB-CD1 4.24Å; V236-L287 HydrophobicContact CG1-CD1 3.57Å; V236-I316 HydrophobicContact CB-CG2 4.11Å; V236-I316 HydrophobicContact CG2-CG2 3.75Å; V236-V317 PolarHBondContact N-O 2.87Å; V236-V318 VanDerWaalsContact O-CA 3.3Å; V236-V318 WeakPolarHBondContact O-CA 3.21Å; V236-T319 PolarHBondContact O-N 2.89Å
237S88.1Confident86.1Confident40 Ų4069.9 Ų69.928%0.2838%0.381SS..EExtended strand (participates in β ladder)trans-48.8137.6171.5169.10000110.1A239 M240 T319 V321S237-A239 PolarHBondContact O-N 2.79Å; S237-A239 PolarHBondContact OG-N 2.87Å; S237-M240 WeakPolarHBondContact O-CB 3.45Å; S237-M240 PolarHBondContact O-N 2.76Å; S237-T319 WeakPolarHBondContact CA-O 3.3Å; S237-T319 WeakPolarHBondContact CA-OG1 3.18Å; S237-T319 PolarHBondContact N-OG1 3.17Å; S237-T319 VanDerWaalsContact N-OG1 3.11Å; S237-V321 WeakPolarHBondContact OG-CG2 3.32Å
238E91Very high86.4Confident21 Ų2173.3 Ų73.310%0.09840%0.399CS..THydrogen-bonded Turntrans-63.1-29.2-179.572.4-156.5106.600113.2V236 M240 L287 D288 R289 V318 T319 V321V236-E238 PolarHBondContact O-N 3.44Å; E238-M240 PolarHBondContact O-N 2.73Å; E238-M240 VanDerWaalsContact O-N 3.12Å; E238-L287 HydrophobicContact CB-CB 3.96Å; E238-D288 WeakPolarHBondContact OE2-CA 2.93Å; E238-R289 WeakPolarHBondContact OE2-CB 3.2Å; E238-R289 PolarHBondContact OE2-N 3.47Å; E238-V318 HydrophobicContact CB-CG1 3.89Å; E238-T319 PolarHBondContact N-O 2.69Å; E238-T319 VanDerWaalsContact N-O 3.13Å; E238-V321 HydrophobicContact CG-CB 3.95Å; E238-V321 HydrophobicContact CG-CG2 3.83Å; E238-V321 PolarHBondContact OE1-N 3.27Å
239A87.9Confident86.8Confident67 Ų6769.5 Ų69.555%0.55437%0.374SS*.THydrogen-bonded Turntrans-72.37.3171.500000114.2S237 R241 V321S237-A239 PolarHBondContact O-N 2.79Å; S237-A239 PolarHBondContact OG-N 2.87Å; A239-R241 PolarHBondContact O-N 2.74Å; A239-V321 HydrophobicContact CB-CG1 4.3Å; A239-V321 HydrophobicContact CB-CG2 3.97Å
240M87.1Confident86.9Confident63 Ų6369.7 Ų69.731%0.3138%0.375SS..PPolyproline II helixtrans-60.2131.5174.4-176.165.575.700110.7V236 S237 E238 A244 L246 L283V236-M240 HydrophobicContact CG1-CB 3.65Å; V236-M240 HydrophobicContact CG1-CE 4.21Å; V236-M240 HydrophobicContact CG1-CG 3.82Å; S237-M240 WeakPolarHBondContact O-CB 3.45Å; S237-M240 PolarHBondContact O-N 2.76Å; E238-M240 PolarHBondContact O-N 2.73Å; E238-M240 VanDerWaalsContact O-N 3.12Å; M240-A244 HydrophobicContact CG-CB 3.86Å; M240-A244 HydrophobicContact SD-CB 3.49Å; M240-A244 WeakPolarHBondContact SD-CB 3.47Å; M240-L246 HydrophobicContact CE-CD2 4.1Å; M240-L246 HydrophobicContact CG-CD2 3.82Å; M240-L246 HydrophobicContact SD-CD2 4.29Å; M240-L283 HydrophobicContact CB-CD2 3.79Å; M240-L283 HydrophobicContact CG-CD2 3.64Å; M240-L283 WeakPolarHBondContact O-CD2 3.48Å
241R86.6Confident87Confident208 Ų20864.1 Ų64.179%0.78535%0.347SS*.PPolyproline II helixtrans-70.6137.6-176.4-67.8-177.1178.4175.90.5111.4A239 G243 A244A239-R241 PolarHBondContact O-N 2.74Å; R241-G243 PolarHBondContact O-N 2.72Å; R241-A244 WeakPolarHBondContact O-CB 3.39Å; R241-A244 PolarHBondContact O-N 3.33Å
242I86.6Confident86.8Confident112 Ų11262.1 Ų62.157%0.57434%0.343SS*.THydrogen-bonded Turntrans-55.9133.1166.1-58.2173000108.8A286I242-A286 HydrophobicContact CD1-CB 4.33Å
243G86.6Confident86.4Confident57 Ų5762.2 Ų62.259%0.58834%0.344SS*.THydrogen-bonded Turntrans85.6-3.6-172.200000114.9R241 L283R241-G243 PolarHBondContact O-N 2.72Å; G243-L283 PolarHBondContact N-O 2.78Å
244A85.2Confident85.4Confident24 Ų2466.8 Ų66.820%0.19835%0.349CS..  trans-65.6136.7174.400000111.2M240 R241 L246 S282 L283M240-A244 HydrophobicContact CG-CB 3.86Å; M240-A244 HydrophobicContact SD-CB 3.49Å; M240-A244 WeakPolarHBondContact SD-CB 3.47Å; R241-A244 WeakPolarHBondContact O-CB 3.39Å; R241-A244 PolarHBondContact O-N 3.33Å; A244-L246 PolarHBondContact O-N 3.44Å; A244-S282 CarbonylContact O-C 3.58Å; A244-S282 WeakPolarHBondContact O-CA 3.33Å; A244-S282 WeakPolarHBondContact O-CB 3.3Å; A244-L283 PolarHBondContact O-N 2.8Å
245I87.7Confident84.6Confident105 Ų10567.6 Ų67.654%0.53835%0.352SS..EExtended strand (participates in β ladder)trans-77119.7170.8-64.7174.7000107.7I280 L281I245-I280 HydrophobicContact CB-CG2 4.31Å; I245-I280 HydrophobicContact CD1-CD1 4.36Å; I245-I280 HydrophobicContact CD1-CG2 3.73Å; I245-I280 HydrophobicContact CG1-CG2 3.63Å; I245-I280 HydrophobicContact CG2-CG2 3.87Å; I245-L281 CarbonylContact C-O 3.59Å; I245-L281 WeakPolarHBondContact CA-O 3.39Å
246L88.8Confident83.9Confident26 Ų2663.7 Ų63.714%0.13635%0.351CS..EExtended strand (participates in β ladder)trans-91.8-35.7-177.6-57.5-179.7000111.9V236 M240 A244 F272 L281 L283V236-L246 HydrophobicContact CG1-CD2 3.87Å; V236-L246 HydrophobicContact CG2-CD1 4.28Å; V236-L246 HydrophobicContact CG2-CD2 3.99Å; M240-L246 HydrophobicContact CE-CD2 4.1Å; M240-L246 HydrophobicContact CG-CD2 3.82Å; M240-L246 HydrophobicContact SD-CD2 4.29Å; A244-L246 PolarHBondContact O-N 3.44Å; L246-F272 HydrophobicContact CD1-CD1 3.43Å; L246-F272 VanDerWaalsContact CD1-CD1 3.43Å; L246-F272 HydrophobicContact CD1-CE1 3.59Å; L246-L281 PolarHBondContact N-O 3.42Å; L246-L283 HydrophobicContact CD1-CB 4.15Å; L246-L283 HydrophobicContact CD1-CD1 4.34Å; L246-L283 HydrophobicContact CD2-CB 4.2Å; L246-L283 HydrophobicContact CG-CB 4.28Å
247L88.1Confident83.1Confident32 Ų3265.9 Ų65.917%0.16836%0.362CS..EExtended strand (participates in β ladder)trans-152.7143.2-178.3-16562.9000110.3Y232 L234 L249 L281 V314Y232-L247 HydrophobicContact CD1-CD1 4.03Å; Y232-L247 HydrophobicContact CD1-CD2 3.86Å; Y232-L247 HydrophobicContact CD1-CG 4.46Å; Y232-L247 HydrophobicContact CD2-CD2 4.1Å; Y232-L247 HydrophobicContact CG-CD2 3.6Å; L234-L247 HydrophobicContact CD2-CB 3.7Å; L234-L247 HydrophobicContact CD2-CD1 3.99Å; L234-L247 HydrophobicContact CD2-CD2 3.8Å; L234-L247 HydrophobicContact CD2-CG 4.04Å; L247-L249 HydrophobicContact CD2-CD1 4.09Å; L247-L249 HydrophobicContact CD2-CD2 3.57Å; L247-L249 HydrophobicContact CD2-CG 3.55Å; L247-L249 HydrophobicContact CG-CD2 4.45Å; L247-L249 HydrophobicContact CG-CG 3.97Å; L247-L281 HydrophobicContact CB-CB 4.05Å; L247-L281 HydrophobicContact CB-CD2 4.31Å; L247-L281 PolarHBondContact N-O 3.24Å; L247-L281 PolarHBondContact O-N 3.05Å; L247-V314 HydrophobicContact CD2-CG1 4.21Å; L247-V314 HydrophobicContact CD2-CG2 4.17Å
248N87.9Confident82.7Confident74 Ų7469 Ų6940%0.39638%0.381SS..EExtended strand (participates in β ladder)trans-107.892.7167.4-175.425.5000107.8Q250 T278N248-Q250 VanDerWaalsContact C-N 3.27Å; N248-Q250 PolarHBondContact ND2-NE2 2.92Å; N248-Q250 VanDerWaalsContact ND2-NE2 3.11Å; N248-Q250 PolarHBondContact O-N 3.22Å; N248-T278 PolarHBondContact OD1-O 2.86Å
249L86.6Confident82.3Confident0 Ų069.4 Ų69.40%038%0.384CS..  trans-73.678-178-72.7139.9000110.2F227 Y232 L247 A251 Y261 L274 G279 L281 V299 V314F227-L249 HydrophobicContact CE1-CB 4.1Å; F227-L249 HydrophobicContact CE1-CD2 3.92Å; F227-L249 HydrophobicContact CZ-CD2 4.37Å; Y232-L249 HydrophobicContact CD2-CD2 3.68Å; Y232-L249 HydrophobicContact CE2-CD2 3.53Å; Y232-L249 HydrophobicContact CG-CD2 4.41Å; L247-L249 HydrophobicContact CD2-CD1 4.09Å; L247-L249 HydrophobicContact CD2-CD2 3.57Å; L247-L249 HydrophobicContact CD2-CG 3.55Å; L247-L249 HydrophobicContact CG-CD2 4.45Å; L247-L249 HydrophobicContact CG-CG 3.97Å; L249-A251 PolarHBondContact O-N 3.46Å; L249-Y261 HydrophobicContact CB-CD1 4.47Å; L249-Y261 WeakPolarHBondContact O-CE1 3.43Å; L249-Y261 PolarHBondContact O-OH 3.24Å; L249-L274 HydrophobicContact CD1-CD1 3.61Å; L249-G279 VanDerWaalsContact CB-O 3.26Å; L249-G279 WeakPolarHBondContact CB-O 3.41Å; L249-G279 PolarHBondContact N-O 2.92Å; L249-L281 HydrophobicContact CD1-CB 4.06Å; L249-V299 HydrophobicContact CD1-CG1 4.05Å; L249-V299 HydrophobicContact CD2-CG1 4.17Å; L249-V314 HydrophobicContact CD2-CG2 4.22Å
250Q83.9Confident82.3Confident114 Ų11469.7 Ų69.753%0.53338%0.379SS..  trans-93.496.9174.1-66.4-171.9-25.600109.7P228 N248P228-Q250 WeakPolarHBondContact CD-O 3.46Å; P228-Q250 WeakPolarHBondContact CG-O 3.49Å; N248-Q250 VanDerWaalsContact C-N 3.27Å; N248-Q250 PolarHBondContact ND2-NE2 2.92Å; N248-Q250 VanDerWaalsContact ND2-NE2 3.11Å; N248-Q250 PolarHBondContact O-N 3.22Å
251A82.5Confident82.5Confident8 Ų867.6 Ų67.67%0.06637%0.368CS..  trans-66.9144.8156.700000109.8P225 F227 L249 I259 Y261 A301P225-A251 HydrophobicContact CB-CB 4.25Å; P225-A251 WeakPolarHBondContact O-CB 3.09Å; F227-A251 HydrophobicContact CD1-CB 3.8Å; F227-A251 HydrophobicContact CE1-CB 4.12Å; F227-A251 HydrophobicContact CG-CB 4.28Å; L249-A251 PolarHBondContact O-N 3.46Å; A251-I259 HydrophobicContact CB-CD1 3.98Å; A251-I259 HydrophobicContact CB-CG2 4.34Å; A251-I259 WeakPolarHBondContact O-CD1 3.47Å; A251-Y261 HydrophobicContact CB-CE1 4.01Å; A251-Y261 PolarHBondContact N-OH 2.82Å; A251-A301 HydrophobicContact CB-CB 3.81Å
252T80Confident82.6Confident87 Ų8760 Ų6053%0.53435%0.349SS..BIsolated β-bridgetrans-110.7109.3171.754.60000109.1R226R226-T252 PolarHBondContact N-O 2.89Å; R226-T252 PolarHBondContact O-N 2.98Å; R226-T252 PolarHBondContact O-OG1 3.09Å
253D77Confident82.8Confident20 Ų2057.2 Ų57.211%0.10734%0.335CS..  trans-63.3138.8155-157.377.2000108.8N221 P225 E255 G256 D257 I259N221-D253 PolarHBondContact ND2-OD1 3.38Å; N221-D253 PolarHBondContact ND2-OD2 3.12Å; P225-D253 HydrophobicContact CB-CB 4.37Å; D253-E255 VanDerWaalsContact C-N 3.32Å; D253-E255 PolarHBondContact OD2-N 2.94Å; D253-G256 PolarHBondContact OD2-N 2.86Å; D253-D257 PolarHBondContact OD2-N 2.86Å; D253-I259 HydrophobicContact CB-CD1 4.18Å
254R68.1Low82.8Confident177 Ų17760.4 Ų60.467%0.66834%0.335SS*.SBendtrans-82.5-20.2-179.9152.9-173.9171.1-140.10.4111.1S223S223-R254 WeakPolarHBondContact OG-CD 3.35Å; S223-R254 PolarHBondContact OG-NH1 2.95Å
255E71.5Confident82.8Confident38 Ų3864.1 Ų64.118%0.17835%0.351CS..SBendtrans-111.9-22.7-167.3-62.187.6-13.200112.2N220 Q222 S223 D253N220-E255 WeakPolarHBondContact O-CB 3.48Å; N220-E255 WeakPolarHBondContact O-CG 3.38Å; Q222-E255 PolarHBondContact N-OE2 2.73Å; S223-E255 VanDerWaalsContact CB-OE1 3.32Å; S223-E255 WeakPolarHBondContact CB-OE1 3.35Å; S223-E255 WeakPolarHBondContact CB-OE2 3.4Å; S223-E255 PolarHBondContact OG-OE1 3.02Å; S223-E255 PolarHBondContact OG-OE2 2.74Å; D253-E255 VanDerWaalsContact C-N 3.32Å; D253-E255 PolarHBondContact OD2-N 2.94Å
256G72.2Confident82.7Confident62 Ų6260.5 Ų60.564%0.63934%0.34SS*.  trans123.211.2160.800000116D253D253-G256 PolarHBondContact OD2-N 2.86Å
257D71.8Confident82.7Confident48 Ų4860.5 Ų60.526%0.25734%0.34SS..PPolyproline II helixtrans-64.5149.3-172.8-80.4-23000113.1N221 D253 I259 D303 R305N221-D257 PolarHBondContact ND2-OD2 2.81Å; D253-D257 PolarHBondContact OD2-N 2.86Å; D257-I259 WeakPolarHBondContact O-CG1 3.39Å; D257-I259 PolarHBondContact O-N 3.48Å; D257-D303 HydrophobicContact CB-CB 4.03Å; D257-R305 IonicContact OD2-CZ 3.45Å; D257-R305 IonicContact OD2-NE 2.67Å; D257-R305 IonicContact OD2-NH2 3.06Å; D257-R305 PolarHBondContact OD2-NH2 2.96Å; D257-R305 VanDerWaalsContact OD2-NH2 3.1Å
258P79.9Confident82.5Confident105 Ų10564.9 Ų64.968%0.68237%0.37SS*.PPolyproline II helixtrans-72.6126.8-178.7-15.631.1000112.7
259I82.6Confident82.4Confident30 Ų3066.9 Ų66.915%0.15438%0.377CS..PPolyproline II helixtrans-103.7138.7-171.4-46171.8000112P225 A251 D253 D257 Y261 A301 S302P225-I259 HydrophobicContact CB-CD1 3.65Å; P225-I259 HydrophobicContact CB-CG1 3.83Å; P225-I259 HydrophobicContact CB-CG2 4.06Å; P225-I259 HydrophobicContact CG-CG2 4.39Å; A251-I259 HydrophobicContact CB-CD1 3.98Å; A251-I259 HydrophobicContact CB-CG2 4.34Å; A251-I259 WeakPolarHBondContact O-CD1 3.47Å; D253-I259 HydrophobicContact CB-CD1 4.18Å; D257-I259 WeakPolarHBondContact O-CG1 3.39Å; D257-I259 PolarHBondContact O-N 3.48Å; I259-Y261 HydrophobicContact CB-CE2 4.3Å; I259-Y261 HydrophobicContact CG2-CD1 4.44Å; I259-Y261 HydrophobicContact CG2-CE1 3.71Å; I259-Y261 HydrophobicContact CG2-CE2 4.12Å; I259-A301 HydrophobicContact CG2-CB 3.87Å; I259-S302 CarbonylContact C-O 3.56Å; I259-S302 WeakPolarHBondContact CA-O 3.38Å
260T87.3Confident82.4Confident73 Ų7376.6 Ų76.645%0.44841%0.414SS..EExtended strand (participates in β ladder)trans-117.9146.1175.2560000111.9E276 A301 S302T260-E276 CarbonylContact C-O 3.37Å; T260-E276 WeakPolarHBondContact CA-O 3.45Å; T260-A301 CarbonylContact O-C 3.54Å; T260-A301 VanDerWaalsContact O-CA 3.29Å; T260-A301 WeakPolarHBondContact O-CA 3.31Å; T260-S302 PolarHBondContact N-O 2.58Å; T260-S302 PolarHBondContact O-N 3.32Å; T260-S302 PolarHBondContact OG1-O 2.87Å; T260-S302 VanDerWaalsContact OG1-O 3.07Å
261Y90.7Very high82.7Confident19 Ų1971.3 Ų71.38%0.07539%0.389CS..EExtended strand (participates in β ladder)trans-128.7138.8-172-53.6-82.9000113.4F227 L249 A251 I259 E276 G279 T300 A301F227-Y261 HydrophobicContact CE1-CD1 4.08Å; F227-Y261 AromaticContact CE1-CE1 3.92Å; F227-Y261 HydrophobicContact CE1-CE1 3.92Å; F227-Y261 HydrophobicContact CZ-CD1 4.17Å; F227-Y261 HydrophobicContact CZ-CE1 4.37Å; L249-Y261 HydrophobicContact CB-CD1 4.47Å; L249-Y261 WeakPolarHBondContact O-CE1 3.43Å; L249-Y261 PolarHBondContact O-OH 3.24Å; A251-Y261 HydrophobicContact CB-CE1 4.01Å; A251-Y261 PolarHBondContact N-OH 2.82Å; I259-Y261 HydrophobicContact CB-CE2 4.3Å; I259-Y261 HydrophobicContact CG2-CD1 4.44Å; I259-Y261 HydrophobicContact CG2-CE1 3.71Å; I259-Y261 HydrophobicContact CG2-CE2 4.12Å; Y261-E276 WeakPolarHBondContact CD2-O 3.38Å; Y261-E276 PolarHBondContact N-O 2.77Å; Y261-E276 WeakPolarHBondContact O-CA 3.45Å; Y261-G279 VanDerWaalsContact CD2-CA 3.45Å; Y261-G279 VanDerWaalsContact CD2-N 3.28Å; Y261-T300 VanDerWaalsContact CA-O 3.32Å; Y261-T300 WeakPolarHBondContact CA-O 3.31Å; Y261-A301 HydrophobicContact CD1-CB 3.73Å; Y261-A301 HydrophobicContact CE1-CB 3.61Å
262A90Very high83.1Confident48 Ų4871.2 Ų71.240%0.39739%0.388SS..EExtended strand (participates in β ladder)trans-145.3152.8178.800000113.2V299 T300A262-V299 VanDerWaalsContact O-CA 3.26Å; A262-V299 WeakPolarHBondContact O-CA 3.41Å; A262-V299 WeakPolarHBondContact O-CG1 3.49Å; A262-T300 PolarHBondContact N-O 2.89Å; A262-T300 PolarHBondContact O-N 3.24Å
263I90.3Very high83.6Confident55 Ų5571.4 Ų71.428%0.28239%0.385SS..EExtended strand (participates in β ladder)trans-94.6117.9169.3-53.8172.5000108.2N265 L274 L281 L297 I298 V299I263-N265 WeakPolarHBondContact CG2-O 3.36Å; I263-L274 HydrophobicContact CD1-CB 3.89Å; I263-L274 HydrophobicContact CG1-CB 3.84Å; I263-L274 HydrophobicContact CG1-CD2 3.73Å; I263-L274 HydrophobicContact CG1-CG 4.46Å; I263-L281 HydrophobicContact CD1-CD1 3.9Å; I263-L297 HydrophobicContact CD1-CD1 4.33Å; I263-L297 HydrophobicContact CG2-CB 4.29Å; I263-I298 CarbonylContact C-O 3.53Å; I263-I298 WeakPolarHBondContact CA-O 3.38Å; I263-V299 HydrophobicContact CG1-CG2 4.3Å
264E86Confident84.2Confident124 Ų12472.1 Ų72.158%0.57939%0.389SS*.EExtended strand (participates in β ladder)trans-84.9-40.1179.7-173.4-174.8-169.300112.2I298E264-I298 HydrophobicContact CB-CB 4.4Å; E264-I298 HydrophobicContact CB-CG2 4.22Å; E264-I298 PolarHBondContact N-O 2.91Å; E264-I298 WeakPolarHBondContact OE2-CG2 3.14Å
265N86.9Confident85.3Confident101 Ų10165.7 Ų65.754%0.5437%0.371SS..EExtended strand (participates in β ladder)trans-152.3165-175.6-96-70.8000111.6I263 L297 I298I263-N265 WeakPolarHBondContact CG2-O 3.36Å; N265-L297 CarbonylContact O-C 3.53Å; N265-L297 VanDerWaalsContact O-CA 3.27Å; N265-L297 WeakPolarHBondContact O-CA 3.31Å; N265-I298 HydrophobicContact CB-CB 4.42Å; N265-I298 HydrophobicContact CB-CD1 4.38Å; N265-I298 PolarHBondContact O-N 2.7Å
266G85.4Confident86Confident29 Ų2970.7 Ų70.730%0.29940%0.395SS..SBendtrans117-19.316300000117.6P268 I296G266-P268 WeakPolarHBondContact O-CD 3.14Å; G266-I296 WeakPolarHBondContact CA-O 3.3Å
267D87.8Confident86.7Confident27 Ų2773 Ų7314%0.14440%0.396CS..  trans-122.585.7-178.8-179.18.5000111.9Q269 R270 V271 F272 L297D267-Q269 VanDerWaalsContact C-N 3.26Å; D267-Q269 PolarHBondContact O-N 2.71Å; D267-Q269 PolarHBondContact OD1-N 3.14Å; D267-R270 WeakPolarHBondContact OD1-CA 3.12Å; D267-R270 PolarHBondContact OD1-N 3.08Å; D267-R270 WeakPolarHBondContact OD2-CA 3.46Å; D267-V271 VanDerWaalsContact CG-N 3.27Å; D267-V271 PolarHBondContact OD1-N 3.43Å; D267-V271 PolarHBondContact OD2-N 3.03Å; D267-F272 HydrophobicContact CB-CD2 4.11Å; D267-F272 WeakPolarHBondContact OD2-CD2 3.21Å; D267-F272 PolarHBondContact OD2-N 2.74Å; D267-L297 HydrophobicContact CB-CD2 3.8Å
268P84.1Confident87.3Confident123 Ų12373.5 Ų73.580%0.79940%0.401SS*.SBendtrans-73.7-17.8178.730.7-35.3000113.1G266G266-P268 WeakPolarHBondContact O-CD 3.14Å
269Q85.5Confident87.6Confident116 Ų11668.5 Ų68.554%0.54237%0.369SS..SBendtrans-96.9-9.8-176.6-73.2-157.942.500113.5D267 V271 K285D267-Q269 VanDerWaalsContact C-N 3.26Å; D267-Q269 PolarHBondContact O-N 2.71Å; D267-Q269 PolarHBondContact OD1-N 3.14Å; Q269-V271 HydrophobicContact CB-CG2 3.79Å; Q269-K285 PolarHBondContact O-NZ 3.26Å
270R86.3Confident88Confident204 Ų20469.6 Ų69.677%0.7737%0.374SS*.  trans56.658-169.7-57.1-176.6-177.2-178-1.3110.9D267 K285D267-R270 WeakPolarHBondContact OD1-CA 3.12Å; D267-R270 PolarHBondContact OD1-N 3.08Å; D267-R270 WeakPolarHBondContact OD2-CA 3.46Å; R270-K285 WeakPolarHBondContact O-CE 3.35Å
271V90.9Very high88.2Confident3 Ų366.1 Ų66.12%0.01835%0.353CS..  trans-82.1-23.1170.9-177.50000110.9D267 Q269 L283 G284 K285 L287 Y295D267-V271 VanDerWaalsContact CG-N 3.27Å; D267-V271 PolarHBondContact OD1-N 3.43Å; D267-V271 PolarHBondContact OD2-N 3.03Å; Q269-V271 HydrophobicContact CB-CG2 3.79Å; V271-L283 HydrophobicContact CG1-CD1 3.9Å; V271-G284 WeakPolarHBondContact O-CA 3.48Å; V271-G284 PolarHBondContact O-N 2.86Å; V271-K285 HydrophobicContact CG1-CB 4.46Å; V271-K285 HydrophobicContact CG2-CD 4.45Å; V271-K285 PolarHBondContact O-N 2.8Å; V271-L287 HydrophobicContact CG1-CD2 3.84Å; V271-Y295 HydrophobicContact CB-CE1 4.47Å; V271-Y295 HydrophobicContact CG2-CE1 3.92Å
272F91.3Very high88.3Confident7 Ų766.3 Ų66.33%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-126.4148.6-175.8-48.4-74.3000112.8L246 D267 L281 S282 L283 Y295 L297 I316L246-F272 HydrophobicContact CD1-CD1 3.43Å; L246-F272 VanDerWaalsContact CD1-CD1 3.43Å; L246-F272 HydrophobicContact CD1-CE1 3.59Å; D267-F272 HydrophobicContact CB-CD2 4.11Å; D267-F272 WeakPolarHBondContact OD2-CD2 3.21Å; D267-F272 PolarHBondContact OD2-N 2.74Å; F272-L281 HydrophobicContact CB-CD1 4.06Å; F272-S282 CarbonylContact C-O 3.47Å; F272-S282 WeakPolarHBondContact CA-O 3.31Å; F272-L283 HydrophobicContact CD1-CD1 3.89Å; F272-L283 HydrophobicContact CE1-CD1 3.61Å; F272-Y295 AromaticContact CE2-CD1 3.96Å; F272-Y295 HydrophobicContact CE2-CD1 3.96Å; F272-Y295 HydrophobicContact CE2-CD2 4.08Å; F272-Y295 HydrophobicContact CE2-CE1 4.48Å; F272-Y295 AromaticContact CE2-CG 3.75Å; F272-Y295 HydrophobicContact CE2-CG 3.75Å; F272-Y295 AromaticContact CZ-CD2 3.94Å; F272-Y295 HydrophobicContact CZ-CD2 3.94Å; F272-Y295 HydrophobicContact CZ-CE2 4.37Å; F272-Y295 HydrophobicContact CZ-CG 4.09Å; F272-L297 HydrophobicContact CB-CD1 4.36Å; F272-L297 HydrophobicContact CD2-CD1 3.99Å; F272-L297 HydrophobicContact CD2-CD2 3.99Å; F272-L297 HydrophobicContact CE2-CD2 4.28Å; F272-L297 HydrophobicContact CG-CD1 4.23Å; F272-I316 HydrophobicContact CD1-CD1 4.07Å; F272-I316 HydrophobicContact CD2-CD1 4.17Å; F272-I316 HydrophobicContact CE1-CD1 3.7Å; F272-I316 HydrophobicContact CE1-CG2 4.35Å; F272-I316 HydrophobicContact CE2-CD1 3.83Å; F272-I316 HydrophobicContact CG-CD1 4.29Å; F272-I316 HydrophobicContact CZ-CD1 3.58Å; F272-I316 HydrophobicContact CZ-CG2 3.98Å
273N90Very high88.5Confident91 Ų9164 Ų6449%0.48734%0.338SS..EExtended strand (participates in β ladder)trans-124.5130.5175.6-66.2-45.7000110L281 S282N273-L281 CarbonylContact O-C 3.57Å; N273-L281 WeakPolarHBondContact O-CA 3.47Å; N273-S282 PolarHBondContact N-O 2.83Å; N273-S282 PolarHBondContact O-N 3.39Å; N273-S282 PolarHBondContact O-OG 2.96Å; N273-S282 VanDerWaalsContact O-OG 3.08Å
274L90Very high88.4Confident34 Ų3462.7 Ų62.718%0.17834%0.338CS..EExtended strand (participates in β ladder)trans-111.9135.5176.1179.860.8000111L249 I263 I280 L281 V299L249-L274 HydrophobicContact CD1-CD1 3.61Å; I263-L274 HydrophobicContact CD1-CB 3.89Å; I263-L274 HydrophobicContact CG1-CB 3.84Å; I263-L274 HydrophobicContact CG1-CD2 3.73Å; I263-L274 HydrophobicContact CG1-CG 4.46Å; L274-I280 CarbonylContact C-O 3.58Å; L274-I280 WeakPolarHBondContact CA-O 3.38Å; L274-L281 HydrophobicContact CB-CD1 4.11Å; L274-L281 HydrophobicContact CD1-CB 4.15Å; L274-L281 HydrophobicContact CD1-CD1 4.46Å; L274-V299 HydrophobicContact CD2-CG1 3.92Å
275S90Very high88.5Confident42 Ų4261 Ų6129%0.29433%0.329SS..  trans-87.2113.6176.41780000111.7T277 T278 G279 I280S275-T277 VanDerWaalsContact C-N 3.33Å; S275-T277 PolarHBondContact O-N 2.84Å; S275-T278 VanDerWaalsContact CB-OG1 3.22Å; S275-T278 WeakPolarHBondContact CB-OG1 3.49Å; S275-T278 PolarHBondContact O-N 2.85Å; S275-T278 PolarHBondContact OG-OG1 2.92Å; S275-G279 PolarHBondContact O-N 2.82Å; S275-I280 PolarHBondContact N-O 3.49Å
276E87.7Confident88.6Confident144 Ų14459.6 Ų59.667%0.67333%0.331SS*.THydrogen-bonded Turntrans-56.4-38.5-171.6-65.3176.8176.600114.2T260 Y261T260-E276 CarbonylContact C-O 3.37Å; T260-E276 WeakPolarHBondContact CA-O 3.45Å; Y261-E276 WeakPolarHBondContact CD2-O 3.38Å; Y261-E276 PolarHBondContact N-O 2.77Å; Y261-E276 WeakPolarHBondContact O-CA 3.45Å
277T85.6Confident88.7Confident110 Ų11059.1 Ų59.168%0.67532%0.321SS*.THydrogen-bonded Turntrans-102.9-1.3-175.4640000114.1S275S275-T277 VanDerWaalsContact C-N 3.33Å; S275-T277 PolarHBondContact O-N 2.84Å
278T84.9Confident88.8Confident59 Ų5961.3 Ų61.336%0.36233%0.333SS..THydrogen-bonded Turntrans-131.4-3.5-176.477.50000114.3N248 S275 I280N248-T278 PolarHBondContact OD1-O 2.86Å; S275-T278 VanDerWaalsContact CB-OG1 3.22Å; S275-T278 WeakPolarHBondContact CB-OG1 3.49Å; S275-T278 PolarHBondContact O-N 2.85Å; S275-T278 PolarHBondContact OG-OG1 2.92Å; T278-I280 PolarHBondContact O-N 2.94Å; T278-I280 VanDerWaalsContact O-N 3.12Å; T278-I280 WeakPolarHBondContact OG1-CD1 3.25Å; T278-I280 WeakPolarHBondContact OG1-CG1 3.04Å
279G86Confident89.1Confident0 Ų057.8 Ų57.80%030%0.304CS..  trans688.2179.100000114.7L249 Y261 S275 L281L249-G279 VanDerWaalsContact CB-O 3.26Å; L249-G279 WeakPolarHBondContact CB-O 3.41Å; L249-G279 PolarHBondContact N-O 2.92Å; Y261-G279 VanDerWaalsContact CD2-CA 3.45Å; Y261-G279 VanDerWaalsContact CD2-N 3.28Å; S275-G279 PolarHBondContact O-N 2.82Å; G279-L281 PolarHBondContact O-N 2.97Å
280I92.1Very high89.3Confident52 Ų5255.8 Ų55.827%0.26729%0.294SS..EExtended strand (participates in β ladder)trans-78.5107.3-174.8-70.3174000109.6I245 L274 S275 T278I245-I280 HydrophobicContact CB-CG2 4.31Å; I245-I280 HydrophobicContact CD1-CD1 4.36Å; I245-I280 HydrophobicContact CD1-CG2 3.73Å; I245-I280 HydrophobicContact CG1-CG2 3.63Å; I245-I280 HydrophobicContact CG2-CG2 3.87Å; L274-I280 CarbonylContact C-O 3.58Å; L274-I280 WeakPolarHBondContact CA-O 3.38Å; S275-I280 PolarHBondContact N-O 3.49Å; T278-I280 PolarHBondContact O-N 2.94Å; T278-I280 VanDerWaalsContact O-N 3.12Å; T278-I280 WeakPolarHBondContact OG1-CD1 3.25Å; T278-I280 WeakPolarHBondContact OG1-CG1 3.04Å
281L91.7Very high89.3Confident0 Ų050 Ų500%029%0.285CS..EExtended strand (participates in β ladder)trans-85.4134.1168.2-173.369.4000109.2I245 L246 L247 L249 I263 F272 N273 L274 G279 L297 V314 I316I245-L281 CarbonylContact C-O 3.59Å; I245-L281 WeakPolarHBondContact CA-O 3.39Å; L246-L281 PolarHBondContact N-O 3.42Å; L247-L281 HydrophobicContact CB-CB 4.05Å; L247-L281 HydrophobicContact CB-CD2 4.31Å; L247-L281 PolarHBondContact N-O 3.24Å; L247-L281 PolarHBondContact O-N 3.05Å; L249-L281 HydrophobicContact CD1-CB 4.06Å; I263-L281 HydrophobicContact CD1-CD1 3.9Å; F272-L281 HydrophobicContact CB-CD1 4.06Å; N273-L281 CarbonylContact O-C 3.57Å; N273-L281 WeakPolarHBondContact O-CA 3.47Å; L274-L281 HydrophobicContact CB-CD1 4.11Å; L274-L281 HydrophobicContact CD1-CB 4.15Å; L274-L281 HydrophobicContact CD1-CD1 4.46Å; G279-L281 PolarHBondContact O-N 2.97Å; L281-L297 HydrophobicContact CD1-CD1 4.19Å; L281-L297 HydrophobicContact CD2-CD1 4.11Å; L281-V314 HydrophobicContact CD2-CG1 4.04Å; L281-I316 HydrophobicContact CD2-CD1 4.43Å
282S92.2Very high89.1Confident23 Ų2352.7 Ų52.716%0.16130%0.302CS..EExtended strand (participates in β ladder)trans-143.2155.5-174.759.30000112.8A244 F272 N273A244-S282 CarbonylContact O-C 3.58Å; A244-S282 WeakPolarHBondContact O-CA 3.33Å; A244-S282 WeakPolarHBondContact O-CB 3.3Å; F272-S282 CarbonylContact C-O 3.47Å; F272-S282 WeakPolarHBondContact CA-O 3.31Å; N273-S282 PolarHBondContact N-O 2.83Å; N273-S282 PolarHBondContact O-N 3.39Å; N273-S282 PolarHBondContact O-OG 2.96Å; N273-S282 VanDerWaalsContact O-OG 3.08Å
283L92.9Very high88.9Confident1 Ų157.3 Ų57.31%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-84.1120.5-177.5-170.967.5000111.7M240 G243 A244 L246 V271 F272 K285 L287M240-L283 HydrophobicContact CB-CD2 3.79Å; M240-L283 HydrophobicContact CG-CD2 3.64Å; M240-L283 WeakPolarHBondContact O-CD2 3.48Å; G243-L283 PolarHBondContact N-O 2.78Å; A244-L283 PolarHBondContact O-N 2.8Å; L246-L283 HydrophobicContact CD1-CB 4.15Å; L246-L283 HydrophobicContact CD1-CD1 4.34Å; L246-L283 HydrophobicContact CD2-CB 4.2Å; L246-L283 HydrophobicContact CG-CB 4.28Å; V271-L283 HydrophobicContact CG1-CD1 3.9Å; F272-L283 HydrophobicContact CD1-CD1 3.89Å; F272-L283 HydrophobicContact CE1-CD1 3.61Å; L283-K285 VanDerWaalsContact CD1-O 3.29Å; L283-K285 WeakPolarHBondContact CD1-O 3.42Å; L283-K285 WeakPolarHBondContact CD2-O 3.48Å; L283-K285 WeakPolarHBondContact CG-O 3.37Å; L283-L287 HydrophobicContact CD1-CD1 4.1Å; L283-L287 HydrophobicContact CD1-CG 4.26Å; L283-L287 HydrophobicContact CD2-CD1 4.44Å
284G88.2Confident88.9Confident26 Ų2659 Ų5927%0.26833%0.326SS..  trans-93-17.5178.400000115.4V271V271-G284 WeakPolarHBondContact O-CA 3.48Å; V271-G284 PolarHBondContact O-N 2.86Å
285K88.7Confident88.9Confident89 Ų8958.9 Ų58.939%0.38732%0.324SS..SBendtrans-143.5156.3-178.4-66.1179.3179.2175.90111.6Q269 R270 V271 L283Q269-K285 PolarHBondContact O-NZ 3.26Å; R270-K285 WeakPolarHBondContact O-CE 3.35Å; V271-K285 HydrophobicContact CG1-CB 4.46Å; V271-K285 HydrophobicContact CG2-CD 4.45Å; V271-K285 PolarHBondContact O-N 2.8Å; L283-K285 VanDerWaalsContact CD1-O 3.29Å; L283-K285 WeakPolarHBondContact CD1-O 3.42Å; L283-K285 WeakPolarHBondContact CD2-O 3.48Å; L283-K285 WeakPolarHBondContact CG-O 3.37Å
286A88.4Confident88.8Confident71 Ų7160.6 Ų60.659%0.58733%0.329SS*.  trans-64.8159.3169.800000111.1I242I242-A286 HydrophobicContact CD1-CB 4.33Å
287L89.4Confident89Confident19 Ų1953.8 Ų53.810%0.09930%0.297CS..  trans-117.5163179.6-69.5169.8000109.4V236 E238 V271 L283 Y295 V318V236-L287 HydrophobicContact CB-CD1 4.24Å; V236-L287 HydrophobicContact CG1-CD1 3.57Å; E238-L287 HydrophobicContact CB-CB 3.96Å; V271-L287 HydrophobicContact CG1-CD2 3.84Å; L283-L287 HydrophobicContact CD1-CD1 4.1Å; L283-L287 HydrophobicContact CD1-CG 4.26Å; L283-L287 HydrophobicContact CD2-CD1 4.44Å; L287-Y295 HydrophobicContact CD2-CE2 3.69Å; L287-V318 HydrophobicContact CB-CG1 4.13Å; L287-V318 HydrophobicContact CD1-CG1 4.36Å; L287-V318 HydrophobicContact CD1-CG2 4.42Å; L287-V318 HydrophobicContact CD2-CG2 4.15Å
288D89.9Confident89.1Confident74 Ų7451.3 Ų51.340%0.39628%0.279SS..  trans-157.9114.8-176.6163.1-12.4000105.7E238 E290 S291 T292E238-D288 WeakPolarHBondContact OE2-CA 2.93Å; D288-E290 PolarHBondContact OD1-N 3.26Å; D288-S291 WeakPolarHBondContact OD1-CB 3.27Å; D288-S291 PolarHBondContact OD1-N 3.29Å; D288-S291 PolarHBondContact OD1-OG 3.45Å; D288-S291 VanDerWaalsContact OD1-OG 3.12Å; D288-S291 WeakPolarHBondContact OD2-CB 3.5Å; D288-S291 PolarHBondContact OD2-OG 2.81Å; D288-T292 PolarHBondContact O-N 2.81Å
289R89.7Confident89.3Confident48 Ų4848.5 Ų48.518%0.18126%0.262CS..THydrogen-bonded Turntrans-89.8-31.7-170.4-169.7-122.342.392-19.1112.3E238 S291 T292 D293 V318 D320E238-R289 WeakPolarHBondContact OE2-CB 3.2Å; E238-R289 PolarHBondContact OE2-N 3.47Å; R289-S291 PolarHBondContact O-N 2.82Å; R289-T292 PolarHBondContact O-N 2.89Å; R289-D293 HydrophobicContact CG-CB 4.32Å; R289-V318 HydrophobicContact CB-CG1 3.93Å; R289-V318 HydrophobicContact CG-CB 4.44Å; R289-V318 HydrophobicContact CG-CG1 4.26Å; R289-D320 VanDerWaalsContact CD-OD1 3.3Å; R289-D320 WeakPolarHBondContact CD-OD1 3.3Å; R289-D320 IonicContact CZ-OD1 2.9Å; R289-D320 IonicContact NE-OD1 3.87Å; R289-D320 PolarHBondContact NE-OD1 3.39Å; R289-D320 IonicContact NH2-OD1 2.69Å; R289-D320 PolarHBondContact NH2-OD1 2.78Å
290E90.1Very high89.5Confident74 Ų7450.1 Ų50.135%0.34627%0.272SS..THydrogen-bonded Turntrans-52.7-33.2165.3-78.557.5-13400110.8D288D288-E290 PolarHBondContact OD1-N 3.26Å
291S85.9Confident89.2Confident83 Ų8347.6 Ų47.658%0.5826%0.259SS*.THydrogen-bonded Turntrans-90.2-42174-67.10000115.2D288 R289D288-S291 WeakPolarHBondContact OD1-CB 3.27Å; D288-S291 PolarHBondContact OD1-N 3.29Å; D288-S291 PolarHBondContact OD1-OG 3.45Å; D288-S291 VanDerWaalsContact OD1-OG 3.12Å; D288-S291 WeakPolarHBondContact OD2-CB 3.5Å; D288-S291 PolarHBondContact OD2-OG 2.81Å; R289-S291 PolarHBondContact O-N 2.82Å
292T86.6Confident88.8Confident59 Ų5948.5 Ų48.536%0.36227%0.265SS..  trans-156.7123.3-177.7-66.10000113.4D288 R289 Y295 V318D288-T292 PolarHBondContact O-N 2.81Å; R289-T292 PolarHBondContact O-N 2.89Å; T292-Y295 HydrophobicContact CG2-CE2 4.38Å; T292-V318 WeakPolarHBondContact O-CG2 3.44Å
293D87.1Confident88.1Confident104 Ų10448.4 Ų48.456%0.55626%0.263SS*.  trans-95.8-12.3-168.968.4-20.9000116.1R289 V318R289-D293 HydrophobicContact CG-CB 4.32Å; D293-V318 PolarHBondContact O-N 3.48Å
294R89.3Confident87.3Confident127 Ų12751.5 Ų51.548%0.47930%0.295SS..EExtended strand (participates in β ladder)trans-160.1145.5-171-169.9175171.9-153-1.5116.3I296 N315 I316R294-I296 HydrophobicContact CG-CG1 4.49Å; R294-N315 PolarHBondContact NE-OD1 3.43Å; R294-N315 PolarHBondContact NH2-OD1 2.73Å; R294-I316 CarbonylContact C-O 3.58Å; R294-I316 WeakPolarHBondContact CA-O 3.27Å
295Y90.3Very high86.4Confident32 Ų3254.6 Ų54.613%0.12530%0.298CS..EExtended strand (participates in β ladder)trans-129.4158.1166.3-53.1-102.9000110.5V271 F272 L287 T292 I316 V318V271-Y295 HydrophobicContact CB-CE1 4.47Å; V271-Y295 HydrophobicContact CG2-CE1 3.92Å; F272-Y295 AromaticContact CE2-CD1 3.96Å; F272-Y295 HydrophobicContact CE2-CD1 3.96Å; F272-Y295 HydrophobicContact CE2-CD2 4.08Å; F272-Y295 HydrophobicContact CE2-CE1 4.48Å; F272-Y295 AromaticContact CE2-CG 3.75Å; F272-Y295 HydrophobicContact CE2-CG 3.75Å; F272-Y295 AromaticContact CZ-CD2 3.94Å; F272-Y295 HydrophobicContact CZ-CD2 3.94Å; F272-Y295 HydrophobicContact CZ-CE2 4.37Å; F272-Y295 HydrophobicContact CZ-CG 4.09Å; L287-Y295 HydrophobicContact CD2-CE2 3.69Å; T292-Y295 HydrophobicContact CG2-CE2 4.38Å; Y295-I316 PolarHBondContact N-O 2.82Å; Y295-I316 CarbonylContact O-C 3.54Å; Y295-I316 PolarHBondContact O-N 3.4Å; Y295-V318 HydrophobicContact CD2-CG2 3.97Å; Y295-V318 HydrophobicContact CE2-CG2 3.68Å
296I88.6Confident85.4Confident78 Ų7855.7 Ų55.740%0.432%0.315SS..EExtended strand (participates in β ladder)trans-140100.7179.3-47.9172.4000108.9G266 R294 T313G266-I296 WeakPolarHBondContact CA-O 3.3Å; R294-I296 HydrophobicContact CG-CG1 4.49Å; I296-T313 HydrophobicContact CG2-CG2 3.76Å
297L90.8Very high84.4Confident0 Ų059.6 Ų59.60%033%0.326CS..EExtended strand (participates in β ladder)trans-90.8147.5-179.5-37-178.3000111.4I263 N265 D267 F272 L281 T313 V314 I316I263-L297 HydrophobicContact CD1-CD1 4.33Å; I263-L297 HydrophobicContact CG2-CB 4.29Å; N265-L297 CarbonylContact O-C 3.53Å; N265-L297 VanDerWaalsContact O-CA 3.27Å; N265-L297 WeakPolarHBondContact O-CA 3.31Å; D267-L297 HydrophobicContact CB-CD2 3.8Å; F272-L297 HydrophobicContact CB-CD1 4.36Å; F272-L297 HydrophobicContact CD2-CD1 3.99Å; F272-L297 HydrophobicContact CD2-CD2 3.99Å; F272-L297 HydrophobicContact CE2-CD2 4.28Å; F272-L297 HydrophobicContact CG-CD1 4.23Å; L281-L297 HydrophobicContact CD1-CD1 4.19Å; L281-L297 HydrophobicContact CD2-CD1 4.11Å; L297-T313 CarbonylContact O-C 3.55Å; L297-T313 WeakPolarHBondContact O-CA 3.45Å; L297-V314 HydrophobicContact CB-CB 4.13Å; L297-V314 PolarHBondContact N-O 3.14Å; L297-V314 PolarHBondContact O-N 3.18Å; L297-I316 HydrophobicContact CD1-CD1 3.67Å; L297-I316 HydrophobicContact CG-CD1 3.94Å; L297-I316 HydrophobicContact CG-CG1 4.43Å
298I88.2Confident83.2Confident59 Ų5958.8 Ų58.830%0.30332%0.322SS..EExtended strand (participates in β ladder)trans-109.4127166-61.8178.8000107.5I263 E264 N265I263-I298 CarbonylContact C-O 3.53Å; I263-I298 WeakPolarHBondContact CA-O 3.38Å; E264-I298 HydrophobicContact CB-CB 4.4Å; E264-I298 HydrophobicContact CB-CG2 4.22Å; E264-I298 PolarHBondContact N-O 2.91Å; E264-I298 WeakPolarHBondContact OE2-CG2 3.14Å; N265-I298 HydrophobicContact CB-CB 4.42Å; N265-I298 HydrophobicContact CB-CD1 4.38Å; N265-I298 PolarHBondContact O-N 2.7Å
299V90.2Very high82.7Confident0 Ų058.8 Ų58.80%033%0.325CS..EExtended strand (participates in β ladder)trans-124138.9-176.7177.20000110.3F227 L249 A262 I263 L274 T311 A312 V314F227-V299 HydrophobicContact CZ-CG1 4.12Å; L249-V299 HydrophobicContact CD1-CG1 4.05Å; L249-V299 HydrophobicContact CD2-CG1 4.17Å; A262-V299 VanDerWaalsContact O-CA 3.26Å; A262-V299 WeakPolarHBondContact O-CA 3.41Å; A262-V299 WeakPolarHBondContact O-CG1 3.49Å; I263-V299 HydrophobicContact CG1-CG2 4.3Å; L274-V299 HydrophobicContact CD2-CG1 3.92Å; V299-T311 CarbonylContact O-C 3.49Å; V299-T311 WeakPolarHBondContact O-CA 3.45Å; V299-A312 PolarHBondContact N-O 3.31Å; V299-A312 PolarHBondContact O-N 2.89Å; V299-V314 HydrophobicContact CB-CG2 4.29Å; V299-V314 HydrophobicContact CG2-CG2 3.65Å
300T88.2Confident82.3Confident33 Ų3357.4 Ų57.420%0.20232%0.323CS..EExtended strand (participates in β ladder)trans-110.3147.3176.3630000110.7Y261 A262 S310 T311Y261-T300 VanDerWaalsContact CA-O 3.32Å; Y261-T300 WeakPolarHBondContact CA-O 3.31Å; A262-T300 PolarHBondContact N-O 2.89Å; A262-T300 PolarHBondContact O-N 3.24Å; T300-S310 WeakPolarHBondContact CA-O 3.29Å; T300-T311 HydrophobicContact CG2-CG2 4.16Å
301A86.7Confident82.1Confident0 Ų057.4 Ų57.40%033%0.328CS..EExtended strand (participates in β ladder)trans-121.9134.2163.500000109.2F227 A251 I259 T260 Y261 T309 S310F227-A301 HydrophobicContact CD1-CB 4.46Å; F227-A301 HydrophobicContact CD2-CB 4.26Å; F227-A301 HydrophobicContact CE1-CB 3.79Å; F227-A301 HydrophobicContact CE2-CB 3.58Å; F227-A301 HydrophobicContact CZ-CB 3.32Å; A251-A301 HydrophobicContact CB-CB 3.81Å; I259-A301 HydrophobicContact CG2-CB 3.87Å; T260-A301 CarbonylContact O-C 3.54Å; T260-A301 VanDerWaalsContact O-CA 3.29Å; T260-A301 WeakPolarHBondContact O-CA 3.31Å; Y261-A301 HydrophobicContact CD1-CB 3.73Å; Y261-A301 HydrophobicContact CE1-CB 3.61Å; A301-T309 CarbonylContact O-C 3.48Å; A301-T309 VanDerWaalsContact O-CA 3.27Å; A301-T309 WeakPolarHBondContact O-CA 3.25Å; A301-S310 PolarHBondContact N-O 2.93Å; A301-S310 PolarHBondContact O-N 2.74Å
302S84.5Confident82.1Confident18 Ų1853.5 Ų53.513%0.12630%0.3CS..EExtended strand (participates in β ladder)trans-138.8136.9179.4-174.60000112.5I259 T260 G304I259-S302 CarbonylContact C-O 3.56Å; I259-S302 WeakPolarHBondContact CA-O 3.38Å; T260-S302 PolarHBondContact N-O 2.58Å; T260-S302 PolarHBondContact O-N 3.32Å; T260-S302 PolarHBondContact OG1-O 2.87Å; T260-S302 VanDerWaalsContact OG1-O 3.07Å; S302-G304 PolarHBondContact OG-N 2.69Å
303D76.6Confident82.3Confident21 Ų2152.8 Ų52.811%0.11230%0.296CS..SBendtrans-76.2-3167.153.411.3000112.6N221 P225 D257 R305 G308N221-D303 PolarHBondContact ND2-OD2 2.68Å; P225-D303 WeakPolarHBondContact CD-OD2 3.32Å; P225-D303 HydrophobicContact CG-CB 3.77Å; D257-D303 HydrophobicContact CB-CB 4.03Å; D303-R305 WeakPolarHBondContact OD1-CA 3.24Å; D303-R305 VanDerWaalsContact OD1-CB 3.29Å; D303-R305 WeakPolarHBondContact OD1-CB 3.48Å; D303-R305 PolarHBondContact OD1-N 2.73Å; D303-G308 VanDerWaalsContact OD1-CA 3.28Å; D303-G308 WeakPolarHBondContact OD1-CA 3.43Å; D303-G308 WeakPolarHBondContact OD2-CA 3.4Å
304G75.1Confident82.4Confident66 Ų6647.9 Ų47.968%0.6827%0.27SS*.SBendtrans95-7.4-172.300000114.9S302S302-G304 PolarHBondContact OG-N 2.69Å
305R69.8Low82.5Confident91 Ų9142.8 Ų42.834%0.34325%0.252SS..SBendtrans-88.6146.5176.3-51.1-177.7-169.4-144.39.4110.5D132 D257 D303 D307 G308D132-R305 IonicContact OD2-CZ 2.61Å; D132-R305 IonicContact OD2-NH1 2.67Å; D132-R305 PolarHBondContact OD2-NH1 2.9Å; D132-R305 IonicContact OD2-NH2 3.66Å; D132-R305 PolarHBondContact OD2-NH2 2.9Å; D257-R305 IonicContact OD2-CZ 3.45Å; D257-R305 IonicContact OD2-NE 2.67Å; D257-R305 IonicContact OD2-NH2 3.06Å; D257-R305 PolarHBondContact OD2-NH2 2.96Å; D257-R305 VanDerWaalsContact OD2-NH2 3.1Å; D303-R305 WeakPolarHBondContact OD1-CA 3.24Å; D303-R305 VanDerWaalsContact OD1-CB 3.29Å; D303-R305 WeakPolarHBondContact OD1-CB 3.48Å; D303-R305 PolarHBondContact OD1-N 2.73Å; R305-D307 PolarHBondContact O-N 2.89Å; R305-G308 WeakPolarHBondContact O-CA 3.32Å; R305-G308 PolarHBondContact O-N 2.97Å; R305-G308 VanDerWaalsContact O-N 3.08Å
306P68.9Low82.5Confident112 Ų11241.2 Ų41.273%0.72725%0.246SC*.G310 helixtrans-62.6-41.1-178.5-23.634.4000114G308 T309P306-G308 VanDerWaalsContact C-N 3.27Å; P306-T309 PolarHBondContact O-OG1 3.3Å
307D66.4Low82.5Confident153 Ų15339.7 Ų39.782%0.81824%0.24SC*.G310 helixtrans-86-5.8176.4-53.2-52.4000112.1R305 T309R305-D307 PolarHBondContact O-N 2.89Å; D307-T309 VanDerWaalsContact C-N 3.31Å
308G64.9Low82.5Confident3 Ų339.9 Ų39.93%0.03124%0.241CC..G310 helixtrans-84.94.8177.500000114.6P225 D303 R305 P306 S310P225-G308 VanDerWaalsContact CD-O 3.25Å; P225-G308 WeakPolarHBondContact CD-O 3.35Å; P225-G308 VanDerWaalsContact CG-O 3.31Å; P225-G308 WeakPolarHBondContact CG-O 3.35Å; D303-G308 VanDerWaalsContact OD1-CA 3.28Å; D303-G308 WeakPolarHBondContact OD1-CA 3.43Å; D303-G308 WeakPolarHBondContact OD2-CA 3.4Å; R305-G308 WeakPolarHBondContact O-CA 3.32Å; R305-G308 PolarHBondContact O-N 2.97Å; R305-G308 VanDerWaalsContact O-N 3.08Å; P306-G308 VanDerWaalsContact C-N 3.27Å; G308-S310 PolarHBondContact O-N 3.36Å
309T78.2Confident82.4Confident73 Ų7338.9 Ų38.945%0.44824%0.238SC..EExtended strand (participates in β ladder)trans-78.3113.5168.2510000111.4A301 P306 D307A301-T309 CarbonylContact O-C 3.48Å; A301-T309 VanDerWaalsContact O-CA 3.27Å; A301-T309 WeakPolarHBondContact O-CA 3.25Å; P306-T309 PolarHBondContact O-OG1 3.3Å; D307-T309 VanDerWaalsContact C-N 3.31Å
310S82.3Confident82.3Confident19 Ų1940.9 Ų40.913%0.13325%0.249CC..EExtended strand (participates in β ladder)trans-92.9152.7158.782.60000110.4P225 F227 T300 A301 G308P225-S310 WeakPolarHBondContact O-CB 3.23Å; P225-S310 PolarHBondContact O-OG 2.9Å; F227-S310 WeakPolarHBondContact CD2-OG 3.35Å; T300-S310 WeakPolarHBondContact CA-O 3.29Å; A301-S310 PolarHBondContact N-O 2.93Å; A301-S310 PolarHBondContact O-N 2.74Å; G308-S310 PolarHBondContact O-N 3.36Å
311T86.4Confident82.2Confident74 Ų7441.5 Ų41.545%0.45425%0.252SS..EExtended strand (participates in β ladder)trans-124.6147.6179.564.70000110.8L230 V299 T300L230-T311 WeakPolarHBondContact CD2-O 3.34Å; V299-T311 CarbonylContact O-C 3.49Å; V299-T311 WeakPolarHBondContact O-CA 3.45Å; T300-T311 HydrophobicContact CG2-CG2 4.16Å
312A85.6Confident82.4Confident1 Ų142.2 Ų42.21%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-141.3140.1172.800000111.2F227 L230 Y232 V299F227-A312 HydrophobicContact CB-CB 4.47Å; F227-A312 HydrophobicContact CD2-CB 3.52Å; F227-A312 HydrophobicContact CE2-CB 3.74Å; F227-A312 HydrophobicContact CG-CB 3.99Å; F227-A312 HydrophobicContact CZ-CB 4.37Å; L230-A312 VanDerWaalsContact O-CA 3.25Å; L230-A312 WeakPolarHBondContact O-CA 3.24Å; Y232-A312 HydrophobicContact CD2-CB 3.74Å; Y232-A312 HydrophobicContact CE2-CB 3.57Å; V299-A312 PolarHBondContact N-O 3.31Å; V299-A312 PolarHBondContact O-N 2.89Å
313T89.3Confident82.5Confident45 Ų4545.4 Ų45.428%0.27627%0.272SS..EExtended strand (participates in β ladder)trans-89.9125.2174.9-56.20000109.7L230 M231 Y232 I296 L297L230-T313 PolarHBondContact O-N 3.38Å; M231-T313 CarbonylContact C-O 3.45Å; M231-T313 WeakPolarHBondContact CA-O 3.49Å; Y232-T313 PolarHBondContact N-O 3.01Å; I296-T313 HydrophobicContact CG2-CG2 3.76Å; L297-T313 CarbonylContact O-C 3.55Å; L297-T313 WeakPolarHBondContact O-CA 3.45Å
314V89.3Confident83.1Confident0 Ų047.1 Ų47.10%028%0.281CS..EExtended strand (participates in β ladder)trans-100.294.8173.3-170.20000109Y232 L234 L247 L249 L281 L297 V299 I316Y232-V314 HydrophobicContact CD2-CG2 4.39Å; Y232-V314 CarbonylContact O-C 3.57Å; Y232-V314 VanDerWaalsContact O-CA 3.24Å; Y232-V314 WeakPolarHBondContact O-CA 3.05Å; L234-V314 HydrophobicContact CD1-CG1 4.45Å; L234-V314 HydrophobicContact CD2-CG1 3.58Å; L234-V314 HydrophobicContact CG-CG1 3.91Å; L247-V314 HydrophobicContact CD2-CG1 4.21Å; L247-V314 HydrophobicContact CD2-CG2 4.17Å; L249-V314 HydrophobicContact CD2-CG2 4.22Å; L281-V314 HydrophobicContact CD2-CG1 4.04Å; L297-V314 HydrophobicContact CB-CB 4.13Å; L297-V314 PolarHBondContact N-O 3.14Å; L297-V314 PolarHBondContact O-N 3.18Å; V299-V314 HydrophobicContact CB-CG2 4.29Å; V299-V314 HydrophobicContact CG2-CG2 3.65Å; V314-I316 HydrophobicContact CG1-CD1 4.28Å; V314-I316 HydrophobicContact CG1-CG1 3.98Å; V314-I316 PolarHBondContact O-N 2.77Å
315N91.5Very high83.7Confident20 Ų2046 Ų4611%0.10727%0.265CS..EExtended strand (participates in β ladder)trans-84.1113.4177.8175.180.8000109Y232 S233 L234 R294Y232-N315 PolarHBondContact O-N 3Å; S233-N315 WeakPolarHBondContact CA-O 3.25Å; S233-N315 PolarHBondContact OG-ND2 2.82Å; S233-N315 VanDerWaalsContact OG-ND2 3.15Å; L234-N315 PolarHBondContact N-O 2.86Å; R294-N315 PolarHBondContact NE-OD1 3.43Å; R294-N315 PolarHBondContact NH2-OD1 2.73Å
316I90.5Very high84.8Confident0 Ų041.7 Ų41.70%025%0.249CC..EExtended strand (participates in β ladder)trans-106.1105-175.5-53.1-169.2000108.5L234 V236 F272 L281 R294 Y295 L297 V314L234-I316 HydrophobicContact CD1-CB 4.19Å; L234-I316 HydrophobicContact CD1-CD1 3.96Å; L234-I316 HydrophobicContact CD1-CG1 3.64Å; L234-I316 HydrophobicContact CD1-CG2 4.01Å; L234-I316 HydrophobicContact CG-CG1 4.31Å; L234-I316 WeakPolarHBondContact O-CA 3.2Å; V236-I316 HydrophobicContact CB-CG2 4.11Å; V236-I316 HydrophobicContact CG2-CG2 3.75Å; F272-I316 HydrophobicContact CD1-CD1 4.07Å; F272-I316 HydrophobicContact CD2-CD1 4.17Å; F272-I316 HydrophobicContact CE1-CD1 3.7Å; F272-I316 HydrophobicContact CE1-CG2 4.35Å; F272-I316 HydrophobicContact CE2-CD1 3.83Å; F272-I316 HydrophobicContact CG-CD1 4.29Å; F272-I316 HydrophobicContact CZ-CD1 3.58Å; F272-I316 HydrophobicContact CZ-CG2 3.98Å; L281-I316 HydrophobicContact CD2-CD1 4.43Å; R294-I316 CarbonylContact C-O 3.58Å; R294-I316 WeakPolarHBondContact CA-O 3.27Å; Y295-I316 PolarHBondContact N-O 2.82Å; Y295-I316 CarbonylContact O-C 3.54Å; Y295-I316 PolarHBondContact O-N 3.4Å; L297-I316 HydrophobicContact CD1-CD1 3.67Å; L297-I316 HydrophobicContact CG-CD1 3.94Å; L297-I316 HydrophobicContact CG-CG1 4.43Å; V314-I316 HydrophobicContact CG1-CD1 4.28Å; V314-I316 HydrophobicContact CG1-CG1 3.98Å; V314-I316 PolarHBondContact O-N 2.77Å
317V90Very high85.9Confident45 Ų4540.9 Ų40.927%0.27324%0.242SC..EExtended strand (participates in β ladder)trans-88.7125169.5179.80000107.2L234 E235 V236 T319L234-V317 PolarHBondContact O-N 3.4Å; L234-V317 VanDerWaalsContact O-N 3.13Å; E235-V317 WeakPolarHBondContact CA-O 3.25Å; E235-V317 HydrophobicContact CG-CB 4.21Å; V236-V317 PolarHBondContact N-O 2.87Å; V317-T319 HydrophobicContact CG1-CG2 4.26Å; V317-T319 PolarHBondContact O-N 2.94Å
318V89.7Confident87.2Confident4 Ų434.9 Ų34.92%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-74.9117169.6-173.70000106.4V236 E238 L287 R289 T292 D293 Y295V236-V318 VanDerWaalsContact O-CA 3.3Å; V236-V318 WeakPolarHBondContact O-CA 3.21Å; E238-V318 HydrophobicContact CB-CG1 3.89Å; L287-V318 HydrophobicContact CB-CG1 4.13Å; L287-V318 HydrophobicContact CD1-CG1 4.36Å; L287-V318 HydrophobicContact CD1-CG2 4.42Å; L287-V318 HydrophobicContact CD2-CG2 4.15Å; R289-V318 HydrophobicContact CB-CG1 3.93Å; R289-V318 HydrophobicContact CG-CB 4.44Å; R289-V318 HydrophobicContact CG-CG1 4.26Å; T292-V318 WeakPolarHBondContact O-CG2 3.44Å; D293-V318 PolarHBondContact O-N 3.48Å; Y295-V318 HydrophobicContact CD2-CG2 3.97Å; Y295-V318 HydrophobicContact CE2-CG2 3.68Å
319T85.6Confident88.3Confident39 Ų3937.5 Ų37.524%0.23922%0.222CC..EExtended strand (participates in β ladder)trans-96.1134.7-178.142.50000112.2E235 V236 S237 E238 V317E235-T319 HydrophobicContact CB-CG2 3.65Å; E235-T319 HydrophobicContact CG-CG2 3.71Å; V236-T319 PolarHBondContact O-N 2.89Å; S237-T319 WeakPolarHBondContact CA-O 3.3Å; S237-T319 WeakPolarHBondContact CA-OG1 3.18Å; S237-T319 PolarHBondContact N-OG1 3.17Å; S237-T319 VanDerWaalsContact N-OG1 3.11Å; E238-T319 PolarHBondContact N-O 2.69Å; E238-T319 VanDerWaalsContact N-O 3.13Å; V317-T319 HydrophobicContact CG1-CG2 4.26Å; V317-T319 PolarHBondContact O-N 2.94Å
320D89.2Confident88.7Confident41 Ų4139 Ų3922%0.21923%0.233CC..PPolyproline II helixtrans-56.4130.3-177.9-160.252.8000112.2R289 A357 N360R289-D320 VanDerWaalsContact CD-OD1 3.3Å; R289-D320 WeakPolarHBondContact CD-OD1 3.3Å; R289-D320 IonicContact CZ-OD1 2.9Å; R289-D320 IonicContact NE-OD1 3.87Å; R289-D320 PolarHBondContact NE-OD1 3.39Å; R289-D320 IonicContact NH2-OD1 2.69Å; R289-D320 PolarHBondContact NH2-OD1 2.78Å; D320-A357 HydrophobicContact CB-CB 4.32Å; D320-A357 PolarHBondContact OD1-N 2.61Å; D320-A357 PolarHBondContact OD2-N 2.85Å; D320-A357 VanDerWaalsContact OD2-N 3.15Å; D320-N360 VanDerWaalsContact OD2-CB 3.26Å; D320-N360 WeakPolarHBondContact OD2-CB 3.26Å; D320-N360 PolarHBondContact OD2-ND2 3.08Å
321V85.8Confident88.9Confident46 Ų4648 Ų4828%0.27927%0.265SS..  trans-115.9136171.9177.20000108.3S237 E238 A239 D323S237-V321 WeakPolarHBondContact OG-CG2 3.32Å; E238-V321 HydrophobicContact CG-CB 3.95Å; E238-V321 HydrophobicContact CG-CG2 3.83Å; E238-V321 PolarHBondContact OE1-N 3.27Å; A239-V321 HydrophobicContact CB-CG1 4.3Å; A239-V321 HydrophobicContact CB-CG2 3.97Å; V321-D323 WeakPolarHBondContact O-CB 3.17Å; V321-D323 PolarHBondContact O-N 3.11Å
322N90Very high88.8Confident15 Ų1546.4 Ų46.48%0.0825%0.254CS..  trans-63.696.4-179.5-157.345.8000110.7N360 D404 A406 H408 R410N322-N360 PolarHBondContact N-ND2 2.83Å; N322-N360 WeakPolarHBondContact OD1-CB 3.32Å; N322-D404 VanDerWaalsContact ND2-CG 3.31Å; N322-D404 PolarHBondContact ND2-OD1 2.67Å; N322-D404 PolarHBondContact ND2-OD2 3.12Å; N322-D404 PolarHBondContact OD1-OD2 3.12Å; N322-A406 HydrophobicContact CB-CB 3.6Å; N322-A406 WeakPolarHBondContact ND2-CB 3.36Å; N322-H408 PolarHBondContact ND2-O 3.2Å; N322-R410 WeakPolarHBondContact ND2-CD 3.43Å; N322-R410 WeakPolarHBondContact ND2-CG 3.07Å; N322-R410 PolarHBondContact ND2-N 3.4Å; N322-R410 PolarHBondContact O-NE 2.9Å; N322-R410 PolarHBondContact O-NH2 2.91Å
323D88.5Confident88.9Confident85 Ų8550.8 Ų50.846%0.45528%0.282SS..  trans-108.4-27.2-166.5-179.3-102.5000111.7V321 D356 R410V321-D323 WeakPolarHBondContact O-CB 3.17Å; V321-D323 PolarHBondContact O-N 3.11Å; D323-D356 PolarHBondContact N-OD2 2.8Å; D323-R410 VanDerWaalsContact C-NH1 3.27Å; D323-R410 VanDerWaalsContact C-NH2 3.28Å; D323-R410 PolarHBondContact O-NH1 3.43Å; D323-R410 PolarHBondContact O-NH2 3.04Å
324N88.6Confident88.9Confident58 Ų5855 Ų5531%0.3129%0.293SS..SBendtrans-117.9-179.6177.4-62.8-84.5000112.1P355 D356 R410N324-P355 HydrophobicContact CB-CG 3.41Å; N324-P355 VanDerWaalsContact CB-CG 3.41Å; N324-D356 VanDerWaalsContact CB-OD1 3.22Å; N324-D356 WeakPolarHBondContact CB-OD1 3.42Å; N324-D356 PolarHBondContact N-OD1 2.89Å; N324-D356 PolarHBondContact N-OD2 2.93Å; N324-D356 PolarHBondContact ND2-OD1 2.86Å; N324-R410 WeakPolarHBondContact O-CD 3.46Å
325A88Confident89Confident41 Ų4161.2 Ų61.234%0.33933%0.326SS..  trans-147144.8-169.800000113.8D354 R410A325-D354 WeakPolarHBondContact CA-OD2 3.34Å; A325-D354 PolarHBondContact N-OD2 3.15Å; A325-R410 HydrophobicContact CB-CB 3.7Å
326P93Very high89Confident2 Ų262.2 Ų62.21%0.01333%0.331CS..  trans-69.2141.7-174.6-20.229.2000113.9T353 D354 V363 A402 D404 S412P326-T353 CarbonylContact C-O 3.48Å; P326-T353 WeakPolarHBondContact CA-O 3.43Å; P326-D354 HydrophobicContact CB-CB 4.37Å; P326-D354 WeakPolarHBondContact CD-OD2 3.22Å; P326-D354 HydrophobicContact CG-CB 4.19Å; P326-V363 HydrophobicContact CB-CG1 4.2Å; P326-V363 HydrophobicContact CB-CG2 3.95Å; P326-V363 HydrophobicContact CG-CG2 4.26Å; P326-A402 HydrophobicContact CB-CB 4.02Å; P326-D404 HydrophobicContact CG-CB 4.1Å; P326-D404 VanDerWaalsContact CG-N 3.32Å; P326-S412 WeakPolarHBondContact O-CB 3.41Å; P326-S412 PolarHBondContact O-OG 2.85Å
327V91.7Very high89Confident94 Ų9466.1 Ų66.157%0.5736%0.359SS*.EExtended strand (participates in β ladder)trans-123.2125.9-178.1-1740000112.3A352 T353V327-A352 CarbonylContact O-C 3.58Å; V327-A352 WeakPolarHBondContact O-CA 3.45Å; V327-A352 WeakPolarHBondContact O-CB 3.28Å; V327-T353 PolarHBondContact N-O 3.39Å; V327-T353 PolarHBondContact O-N 2.87Å
328F92.8Very high89.1Confident28 Ų2864.5 Ų64.512%0.12335%0.349CS..EExtended strand (participates in β ladder)trans-73152.4177.1-85.9-72000115.1V350 R351 A352 Y365 V400 A402 S412 L414F328-V350 HydrophobicContact CE1-CB 4.05Å; F328-V350 HydrophobicContact CE1-CG2 3.94Å; F328-R351 WeakPolarHBondContact CA-O 3.39Å; F328-R351 VanDerWaalsContact CD1-O 3.3Å; F328-R351 WeakPolarHBondContact CD1-O 3.37Å; F328-A352 HydrophobicContact CD1-CB 4.01Å; F328-A352 HydrophobicContact CE1-CB 4.44Å; F328-A352 HydrophobicContact CG-CB 4.25Å; F328-Y365 HydrophobicContact CE1-CD1 4.16Å; F328-Y365 HydrophobicContact CE1-CE1 4.26Å; F328-V400 HydrophobicContact CE1-CG1 4.46Å; F328-V400 HydrophobicContact CZ-CB 4.25Å; F328-V400 HydrophobicContact CZ-CG1 4.07Å; F328-A402 HydrophobicContact CD1-CB 4.37Å; F328-A402 HydrophobicContact CD2-CB 3.93Å; F328-A402 HydrophobicContact CE1-CB 4Å; F328-A402 HydrophobicContact CE2-CB 3.56Å; F328-A402 VanDerWaalsContact CE2-N 3.28Å; F328-A402 HydrophobicContact CG-CB 4.33Å; F328-A402 HydrophobicContact CZ-CB 3.59Å; F328-A402 VanDerWaalsContact CZ-N 3.31Å; F328-S412 WeakPolarHBondContact CD2-OG 3.48Å; F328-S412 WeakPolarHBondContact CE2-O 3.31Å; F328-L414 HydrophobicContact CD1-CD2 4.35Å; F328-L414 HydrophobicContact CD2-CB 4.09Å; F328-L414 HydrophobicContact CE2-CB 3.99Å; F328-L414 HydrophobicContact CG-CB 4.41Å; F328-L414 HydrophobicContact CZ-CB 4.25Å
329D88.3Confident89Confident58 Ų5867 Ų6731%0.3136%0.364SS..  trans-68.4123.5167.8-171.7-34000111.3Y331 L332 R351D329-Y331 VanDerWaalsContact C-N 3.31Å; D329-Y331 PolarHBondContact O-N 2.94Å; D329-Y331 WeakPolarHBondContact OD1-CD2 3.42Å; D329-Y331 PolarHBondContact OD1-N 2.83Å; D329-L332 HydrophobicContact CB-CD1 4.3Å; D329-L332 HydrophobicContact CB-CG 4.47Å; D329-L332 WeakPolarHBondContact O-CD1 3.48Å; D329-R351 HydrophobicContact CB-CB 4.39Å; D329-R351 PolarHBondContact N-O 2.78Å
330P85.8Confident89.1Confident104 Ų10465.2 Ų65.268%0.67535%0.353SS*.THydrogen-bonded Turntrans-74.6-8-174.929.1-35.2000115.6
331Y86.5Confident88.6Confident209 Ų20966.3 Ų66.382%0.8236%0.357SS*.THydrogen-bonded Turntrans-97.317.2-169.5-62.6-73.9000115.8D329D329-Y331 VanDerWaalsContact C-N 3.31Å; D329-Y331 PolarHBondContact O-N 2.94Å; D329-Y331 WeakPolarHBondContact OD1-CD2 3.42Å; D329-Y331 PolarHBondContact OD1-N 2.83Å
332L85.9Confident88.3Confident39 Ų3969.4 Ų69.420%0.20437%0.368CS..  trans-86.3143.4-171.2-63.2166.1000114.6D329 V350 L414D329-L332 HydrophobicContact CB-CD1 4.3Å; D329-L332 HydrophobicContact CB-CG 4.47Å; D329-L332 WeakPolarHBondContact O-CD1 3.48Å; L332-V350 HydrophobicContact CD1-CB 3.82Å; L332-V350 HydrophobicContact CD1-CG1 4.09Å; L332-L414 HydrophobicContact CB-CD2 4.34Å; L332-L414 HydrophobicContact CD1-CD2 3.73Å
333P86Confident87.9Confident94 Ų9470.6 Ų70.661%0.6138%0.38SS*.  trans-76.3155178.233.2-36.2000112.6L416P333-L416 WeakPolarHBondContact O-CD2 3.49Å
334R89.4Confident87.8Confident133 Ų13370.8 Ų70.850%0.50238%0.381SS..  trans-121.7-17.7-168.2-59.2-169.1-174.6-148.31.5118.3L416 Y417R334-L416 HydrophobicContact CB-CD2 4.42Å; R334-L416 HydrophobicContact CG-CD2 4.34Å; R334-L416 CarbonylContact O-C 3.54Å; R334-L416 VanDerWaalsContact O-CA 3.31Å; R334-L416 WeakPolarHBondContact O-CA 3.43Å; R334-Y417 PolarHBondContact O-N 2.67Å
335N91.5Very high87.8Confident131 Ų13168.6 Ų68.670%0.70137%0.371SS*.EExtended strand (participates in β ladder)trans-115.9126.4-175-65.37.6000111.4
336L91.8Very high88Confident40 Ų4072.5 Ų72.521%0.20938%0.381CS..EExtended strand (participates in β ladder)trans-141.5170.5-166-50.6169.5000110.6V347 L416 Y417 I418 K419L336-V347 HydrophobicContact CB-CG1 3.92Å; L336-V347 HydrophobicContact CD1-CG1 3.9Å; L336-V347 WeakPolarHBondContact CD1-O 3.18Å; L336-V347 WeakPolarHBondContact CD2-O 3.33Å; L336-L416 HydrophobicContact CD1-CB 4.5Å; L336-L416 HydrophobicContact CD1-CD1 4.21Å; L336-Y417 PolarHBondContact N-O 2.96Å; L336-I418 HydrophobicContact CB-CG1 4.36Å; L336-I418 WeakPolarHBondContact O-CA 3.27Å; L336-K419 PolarHBondContact O-N 2.93Å
337S91.3Very high87.9Confident83 Ų8372.9 Ų72.958%0.5838%0.383SS*.EExtended strand (participates in β ladder)trans-157.8152.6-177.957.70000112.8K419S337-K419 WeakPolarHBondContact CA-O 3.49Å
338V91.3Very high87.9Confident10 Ų1068.8 Ų68.86%0.06136%0.36CS..  trans-152.8160.6-177.165.30000111.6A345 T384 L388 I418 K419 V420 L421V338-A345 HydrophobicContact CG2-CB 3.55Å; V338-T384 HydrophobicContact CG1-CG2 4.28Å; V338-T384 HydrophobicContact CG2-CG2 3.75Å; V338-L388 HydrophobicContact CG1-CD1 3.49Å; V338-L388 VanDerWaalsContact CG1-CD1 3.49Å; V338-I418 HydrophobicContact CG1-CG2 3.96Å; V338-K419 PolarHBondContact N-O 3.44Å; V338-V420 CarbonylContact O-C 3.59Å; V338-V420 WeakPolarHBondContact O-CA 3.46Å; V338-L421 PolarHBondContact O-N 3.2Å
339V87.8Confident87.8Confident58 Ų5872.3 Ų72.335%0.35238%0.377SS..  trans-88.2153.5175-165.20000109.9L421 I423V339-L421 HydrophobicContact CG2-CD1 4.36Å; V339-I423 HydrophobicContact CG1-CD1 3.94Å
340E87.4Confident88Confident1 Ų169.8 Ų69.81%0.00536%0.363CS..SBendtrans-76173.3167.590.1-176.4107.900112.8E342 L388 N389 R390 V420 L421 D422 I423E340-E342 PolarHBondContact O-N 2.86Å; E340-L388 WeakPolarHBondContact CB-O 2.97Å; E340-N389 VanDerWaalsContact OE2-CA 3.23Å; E340-N389 WeakPolarHBondContact OE2-CA 3.39Å; E340-R390 VanDerWaalsContact OE1-CB 3.25Å; E340-R390 WeakPolarHBondContact OE1-CB 3.29Å; E340-R390 WeakPolarHBondContact OE2-CB 3.4Å; E340-R390 PolarHBondContact OE2-N 2.92Å; E340-V420 HydrophobicContact CB-CG1 3.75Å; E340-L421 WeakPolarHBondContact CB-O 3.25Å; E340-L421 WeakPolarHBondContact CG-O 3.34Å; E340-L421 PolarHBondContact N-O 2.61Å; E340-L421 VanDerWaalsContact N-O 3.14Å; E340-D422 WeakPolarHBondContact OE1-CA 3.15Å; E340-I423 HydrophobicContact CG-CB 3.92Å; E340-I423 HydrophobicContact CG-CD1 4.08Å; E340-I423 HydrophobicContact CG-CG1 3.97Å; E340-I423 PolarHBondContact OE1-N 2.86Å
341E79.4Confident88.4Confident63 Ų6372.4 Ų72.429%0.29436%0.36SS..SBendtrans54.5-0.2-177.3-78.6-7192.700117.5K387 L388 I423 D425E341-K387 HydrophobicContact CB-CD 4.35Å; E341-K387 VanDerWaalsContact CD-CD 3.41Å; E341-K387 HydrophobicContact CG-CD 4.48Å; E341-K387 WeakPolarHBondContact O-CD 3.26Å; E341-K387 WeakPolarHBondContact O-CE 3.49Å; E341-K387 WeakPolarHBondContact O-CG 3.43Å; E341-K387 PolarHBondContact O-NZ 3.4Å; E341-K387 WeakPolarHBondContact OE1-CB 3.23Å; E341-K387 WeakPolarHBondContact OE1-CD 3.26Å; E341-K387 IonicContact OE1-NZ 2.73Å; E341-K387 VanDerWaalsContact OE2-CD 3.26Å; E341-K387 WeakPolarHBondContact OE2-CD 3.49Å; E341-K387 WeakPolarHBondContact OE2-CE 3.33Å; E341-K387 IonicContact OE2-NZ 3.12Å; E341-K387 PolarHBondContact OE2-NZ 2.87Å; E341-L388 PolarHBondContact N-O 3.19Å; E341-I423 HydrophobicContact CB-CD1 4.22Å; E341-D425 VanDerWaalsContact CD-OD2 3.31Å; E341-D425 HydrophobicContact CG-CB 4.38Å; E341-D425 VanDerWaalsContact CG-OD2 3.26Å; E341-D425 WeakPolarHBondContact CG-OD2 3.33Å
342E80Confident88.6Confident111 Ų11163 Ų6352%0.51933%0.325SS..  trans-102.799.5175.8-165.8175.8-147.300112.2E340 A345 T384E340-E342 PolarHBondContact O-N 2.86Å; E342-A345 HydrophobicContact CB-CB 4.41Å; E342-A345 HydrophobicContact CG-CB 4.13Å; E342-T384 PolarHBondContact O-OG1 3.36Å
343A80.9Confident88.9Confident41 Ų4165.6 Ų65.634%0.33934%0.343SS..THydrogen-bonded Turntrans-77.1141.5172.700000111.7A345 K387A343-A345 VanDerWaalsContact C-N 3.29Å; A343-K387 HydrophobicContact CB-CG 3.9Å
344N87.4Confident89.2Confident89 Ų8962.5 Ų62.548%0.47632%0.321SS..THydrogen-bonded Turntrans68.416.9-175.1-57.1-83.4000115.8R375 Y383 T384N344-R375 VanDerWaalsContact OD1-CZ 3.27Å; N344-R375 PolarHBondContact OD1-NE 2.89Å; N344-R375 PolarHBondContact OD1-NH2 2.74Å; N344-Y383 WeakPolarHBondContact O-CD1 3.41Å; N344-T384 VanDerWaalsContact CA-O 3.23Å; N344-T384 WeakPolarHBondContact CA-O 3.49Å; N344-T384 PolarHBondContact N-O 2.83Å; N344-T384 PolarHBondContact N-OG1 2.8Å
345A88.3Confident89.2Confident11 Ų1160.3 Ų60.39%0.09132%0.324CS..  trans-59.9140.2166.600000110.6V338 E342 A343 Y383 T384V338-A345 HydrophobicContact CG2-CB 3.55Å; E342-A345 HydrophobicContact CB-CB 4.41Å; E342-A345 HydrophobicContact CG-CB 4.13Å; A343-A345 VanDerWaalsContact C-N 3.29Å; A345-Y383 CarbonylContact O-C 3.59Å; A345-Y383 WeakPolarHBondContact O-CA 3.5Å; A345-Y383 WeakPolarHBondContact O-CB 3.38Å; A345-T384 HydrophobicContact CB-CG2 4.37Å; A345-T384 PolarHBondContact N-OG1 2.85Å; A345-T384 PolarHBondContact O-N 3.01Å
346F91.6Very high89.1Confident124 Ų12454.5 Ų54.554%0.54429%0.293SS..EExtended strand (participates in β ladder)trans-82140.1-178.4172.5-104.6000111.9G348 Y383F346-G348 VanDerWaalsContact CE2-O 3.29Å; F346-G348 WeakPolarHBondContact CE2-O 3.44Å; F346-Y383 HydrophobicContact CB-CD1 4Å; F346-Y383 HydrophobicContact CB-CE1 3.9Å; F346-Y383 HydrophobicContact CD2-CD1 4.19Å; F346-Y383 AromaticContact CD2-CE1 3.74Å; F346-Y383 HydrophobicContact CD2-CE1 3.74Å; F346-Y383 HydrophobicContact CD2-CE2 4.39Å; F346-Y383 AromaticContact CD2-CZ 3.84Å; F346-Y383 HydrophobicContact CG-CE1 4.3Å
347V91.5Very high88.8Confident9 Ų954.1 Ų54.16%0.05530%0.296CS..EExtended strand (participates in β ladder)trans-125.3-45.8-174.2-168.60000113.4L336 F374 I382 T384 I418L336-V347 HydrophobicContact CB-CG1 3.92Å; L336-V347 HydrophobicContact CD1-CG1 3.9Å; L336-V347 WeakPolarHBondContact CD1-O 3.18Å; L336-V347 WeakPolarHBondContact CD2-O 3.33Å; V347-F374 HydrophobicContact CG2-CD1 4.15Å; V347-F374 HydrophobicContact CG2-CE1 4.18Å; V347-I382 WeakPolarHBondContact CA-O 3.14Å; V347-I382 HydrophobicContact CB-CB 4.44Å; V347-I382 HydrophobicContact CB-CG2 4.12Å; V347-I382 PolarHBondContact N-O 2.54Å; V347-T384 HydrophobicContact CG2-CG2 4.36Å; V347-I418 HydrophobicContact CG1-CD1 3.95Å; V347-I418 HydrophobicContact CG1-CG1 4.16Å; V347-I418 HydrophobicContact CG1-CG2 4.27Å
348G90.5Very high88.5Confident9 Ų953.3 Ų53.39%0.09330%0.3CS..EExtended strand (participates in β ladder)trans-177.2-166.6-175.200000116.2F346 S381 I382F346-G348 VanDerWaalsContact CE2-O 3.29Å; F346-G348 WeakPolarHBondContact CE2-O 3.44Å; G348-S381 CarbonylContact O-C 3.6Å; G348-S381 WeakPolarHBondContact O-CA 3.33Å; G348-I382 PolarHBondContact N-O 3.32Å; G348-I382 PolarHBondContact O-N 2.88Å
349Q92.1Very high88.1Confident101 Ų10157.2 Ų57.247%0.47232%0.32SS..EExtended strand (participates in β ladder)trans-157.5151.8175.1-173.7166.66.200114.6N379 G380 S381Q349-N379 PolarHBondContact NE2-ND2 3.01Å; Q349-N379 PolarHBondContact NE2-O 2.64Å; Q349-G380 CarbonylContact C-O 3.52Å; Q349-G380 VanDerWaalsContact CA-O 3.25Å; Q349-G380 WeakPolarHBondContact CA-O 3.29Å; Q349-S381 VanDerWaalsContact CD-OG 3.23Å; Q349-S381 PolarHBondContact NE2-OG 2.99Å; Q349-S381 PolarHBondContact OE1-OG 2.95Å
350V92.9Very high88Confident5 Ų555 Ų553%0.0331%0.306CS..  trans-138.6176.8179-55.70000114.7F328 L332 Y365 I376 G380 V400 L414F328-V350 HydrophobicContact CE1-CB 4.05Å; F328-V350 HydrophobicContact CE1-CG2 3.94Å; L332-V350 HydrophobicContact CD1-CB 3.82Å; L332-V350 HydrophobicContact CD1-CG1 4.09Å; V350-Y365 HydrophobicContact CG2-CD1 3.88Å; V350-Y365 HydrophobicContact CG2-CE1 4.29Å; V350-Y365 HydrophobicContact CG2-CG 4.4Å; V350-I376 HydrophobicContact CG2-CD1 3.78Å; V350-G380 PolarHBondContact N-O 2.85Å; V350-V400 HydrophobicContact CG1-CG1 4.45Å; V350-V400 HydrophobicContact CG1-CG2 4.36Å; V350-V400 HydrophobicContact CG2-CG1 3.82Å; V350-L414 HydrophobicContact CG1-CD2 4Å
351R93Very high88Confident160 Ų16056 Ų5660%0.60432%0.316SS*.  trans-160.1147.3178.1-171.8177.6-179.4-175.20.4115.4F328 D329 Y365F328-R351 WeakPolarHBondContact CA-O 3.39Å; F328-R351 VanDerWaalsContact CD1-O 3.3Å; F328-R351 WeakPolarHBondContact CD1-O 3.37Å; D329-R351 HydrophobicContact CB-CB 4.39Å; D329-R351 PolarHBondContact N-O 2.78Å; R351-Y365 WeakPolarHBondContact CA-OH 3.23Å
352A92.1Very high88.4Confident10 Ų1057.8 Ų57.88%0.08333%0.325CS..EExtended strand (participates in β ladder)trans-154.5174.1178.300000115.1V327 F328 V363 Y365 A402V327-A352 CarbonylContact O-C 3.58Å; V327-A352 WeakPolarHBondContact O-CA 3.45Å; V327-A352 WeakPolarHBondContact O-CB 3.28Å; F328-A352 HydrophobicContact CD1-CB 4.01Å; F328-A352 HydrophobicContact CE1-CB 4.44Å; F328-A352 HydrophobicContact CG-CB 4.25Å; A352-V363 HydrophobicContact CB-CG1 3.95Å; A352-Y365 HydrophobicContact CB-CE1 3.87Å; A352-Y365 PolarHBondContact N-OH 2.78Å; A352-Y365 PolarHBondContact O-OH 2.86Å; A352-A402 HydrophobicContact CB-CB 3.41Å; A352-A402 VanDerWaalsContact CB-CB 3.41Å
353T92.2Very high88.9Confident95 Ų9554 Ų5458%0.58331%0.309SS*.EExtended strand (participates in β ladder)trans-150.6153.3-178.954.30000115.3P326 V327P326-T353 CarbonylContact C-O 3.48Å; P326-T353 WeakPolarHBondContact CA-O 3.43Å; V327-T353 PolarHBondContact N-O 3.39Å; V327-T353 PolarHBondContact O-N 2.87Å
354D91.1Very high89.3Confident28 Ų2856 Ų5615%0.1531%0.311CS..  trans-144.7153.8179.3-167.3-77.7000112.1A325 P326 D356 G361 V363A325-D354 WeakPolarHBondContact CA-OD2 3.34Å; A325-D354 PolarHBondContact N-OD2 3.15Å; P326-D354 HydrophobicContact CB-CB 4.37Å; P326-D354 WeakPolarHBondContact CD-OD2 3.22Å; P326-D354 HydrophobicContact CG-CB 4.19Å; D354-D356 PolarHBondContact OD1-N 3.21Å; D354-G361 WeakPolarHBondContact OD1-CA 3.44Å; D354-V363 HydrophobicContact CB-CG2 3.59Å
355P89.5Confident89.6Confident87 Ų8753.6 Ų53.657%0.56530%0.296SS*.  trans-103.2-10.4-178.540.4-38.2000119.4N324N324-P355 HydrophobicContact CB-CG 3.41Å; N324-P355 VanDerWaalsContact CB-CG 3.41Å
356D89.1Confident89.8Confident9 Ų955.1 Ų55.15%0.04831%0.306CS..SBendtrans-72.1176.8-170.2-69.1-2000113.2D323 N324 D354 N360 G361D323-D356 PolarHBondContact N-OD2 2.8Å; N324-D356 VanDerWaalsContact CB-OD1 3.22Å; N324-D356 WeakPolarHBondContact CB-OD1 3.42Å; N324-D356 PolarHBondContact N-OD1 2.89Å; N324-D356 PolarHBondContact N-OD2 2.93Å; N324-D356 PolarHBondContact ND2-OD1 2.86Å; D354-D356 PolarHBondContact OD1-N 3.21Å; D356-N360 HydrophobicContact CB-CB 3.47Å; D356-N360 VanDerWaalsContact CB-CB 3.47Å; D356-G361 WeakPolarHBondContact O-CA 3.45Å; D356-G361 PolarHBondContact O-N 2.86Å
357A85.4Confident89.9Confident32 Ų3249.7 Ų49.726%0.26428%0.282SS..SBendtrans-81.9143.7-174.900000114.9D320 I359 N360D320-A357 HydrophobicContact CB-CB 4.32Å; D320-A357 PolarHBondContact OD1-N 2.61Å; D320-A357 PolarHBondContact OD2-N 2.85Å; D320-A357 VanDerWaalsContact OD2-N 3.15Å; A357-I359 PolarHBondContact O-N 2.88Å; A357-N360 PolarHBondContact O-N 3.08Å
358G85.8Confident89.7Confident66 Ų6651.4 Ų51.468%0.6830%0.302SS*.THydrogen-bonded Turntrans58.4-105.7166.700000113Q362G358-Q362 WeakPolarHBondContact O-CB 3.39Å
359I82.1Confident89.8Confident93 Ų9353.2 Ų53.248%0.47731%0.309SS..THydrogen-bonded Turntrans-77.5-35.117972.4-178.4000112A357 G361 Q362 G405A357-I359 PolarHBondContact O-N 2.88Å; I359-G361 VanDerWaalsContact C-N 3.33Å; I359-G361 PolarHBondContact O-N 2.84Å; I359-Q362 WeakPolarHBondContact O-CB 3.17Å; I359-Q362 PolarHBondContact O-N 3.14Å; I359-G405 WeakPolarHBondContact CD1-O 3.36Å; I359-G405 CarbonylContact O-C 3.59Å; I359-G405 WeakPolarHBondContact O-CA 3.35Å; I359-G405 PolarHBondContact O-N 3.28Å
360N86.9Confident89.7Confident12 Ų1250.2 Ų50.26%0.06430%0.295CS..THydrogen-bonded Turntrans-68.6-34.7-177.7-62.3-5.9000110.4D320 N322 D356 A357 Q362 D404 A406D320-N360 VanDerWaalsContact OD2-CB 3.26Å; D320-N360 WeakPolarHBondContact OD2-CB 3.26Å; D320-N360 PolarHBondContact OD2-ND2 3.08Å; N322-N360 PolarHBondContact N-ND2 2.83Å; N322-N360 WeakPolarHBondContact OD1-CB 3.32Å; D356-N360 HydrophobicContact CB-CB 3.47Å; D356-N360 VanDerWaalsContact CB-CB 3.47Å; A357-N360 PolarHBondContact O-N 3.08Å; N360-Q362 VanDerWaalsContact C-N 3.31Å; N360-Q362 PolarHBondContact O-N 2.76Å; N360-D404 WeakPolarHBondContact O-CB 3.27Å; N360-A406 HydrophobicContact CB-CB 4.34Å; N360-A406 WeakPolarHBondContact OD1-CA 3.44Å; N360-A406 WeakPolarHBondContact OD1-CB 3.44Å
361G85.5Confident89.5Confident20 Ų2054.1 Ų54.121%0.20632%0.316CS..THydrogen-bonded Turntrans-77.5-6.5169.700000115.9D354 D356 I359 V363D354-G361 WeakPolarHBondContact OD1-CA 3.44Å; D356-G361 WeakPolarHBondContact O-CA 3.45Å; D356-G361 PolarHBondContact O-N 2.86Å; I359-G361 VanDerWaalsContact C-N 3.33Å; I359-G361 PolarHBondContact O-N 2.84Å; G361-V363 PolarHBondContact O-N 3.03Å
362Q88.8Confident89.2Confident102 Ų10251.7 Ų51.748%0.47731%0.314SS..  trans-8899.2-170.6-169.7177.1-35.100111.7G358 I359 N360 H364 D404 G405G358-Q362 WeakPolarHBondContact O-CB 3.39Å; I359-Q362 WeakPolarHBondContact O-CB 3.17Å; I359-Q362 PolarHBondContact O-N 3.14Å; N360-Q362 VanDerWaalsContact C-N 3.31Å; N360-Q362 PolarHBondContact O-N 2.76Å; Q362-H364 PolarHBondContact NE2-CE1 3.05Å; Q362-H364 VanDerWaalsContact NE2-CE1 3.3Å; Q362-H364 PolarHBondContact NE2-NE2 2.99Å; Q362-H364 PolarHBondContact O-CE1 2.8Å; Q362-H364 PolarHBondContact O-N 3.02Å; Q362-H364 PolarHBondContact O-ND1 3.46Å; Q362-D404 CarbonylContact O-C 3.54Å; Q362-D404 WeakPolarHBondContact O-CA 3.34Å; Q362-G405 PolarHBondContact O-N 2.67Å; Q362-G405 VanDerWaalsContact O-N 3.11Å
363V90.7Very high89.1Confident32 Ų3252.7 Ų52.719%0.19432%0.318CS..  trans-70.4118.2178.5-175.40000112.6P326 A352 D354 G361 Y365 A402 T403P326-V363 HydrophobicContact CB-CG1 4.2Å; P326-V363 HydrophobicContact CB-CG2 3.95Å; P326-V363 HydrophobicContact CG-CG2 4.26Å; A352-V363 HydrophobicContact CB-CG1 3.95Å; D354-V363 HydrophobicContact CB-CG2 3.59Å; G361-V363 PolarHBondContact O-N 3.03Å; V363-Y365 HydrophobicContact CG1-CE1 4.35Å; V363-A402 HydrophobicContact CG1-CB 4.13Å; V363-T403 CarbonylContact C-O 3.4Å; V363-T403 WeakPolarHBondContact CA-O 3.33Å
364H90.1Very high89.1Confident82 Ų8248.1 Ų48.138%0.3829%0.29SS..EExtended strand (participates in β ladder)trans-106.8126.1171.6-63.589.2000110.1Q362 T403Q362-H364 PolarHBondContact NE2-CE1 3.05Å; Q362-H364 VanDerWaalsContact NE2-CE1 3.3Å; Q362-H364 PolarHBondContact NE2-NE2 2.99Å; Q362-H364 PolarHBondContact O-CE1 2.8Å; Q362-H364 PolarHBondContact O-N 3.02Å; Q362-H364 PolarHBondContact O-ND1 3.46Å; H364-T403 PolarHBondContact N-O 3.15Å; H364-T403 PolarHBondContact O-N 3.17Å
365Y93.3Very high89.2Confident39 Ų3950.7 Ų50.715%0.15330%0.298CS..EExtended strand (participates in β ladder)trans-81.3123167-50.3-75.9000109.3F328 V350 R351 A352 V363 I376 S378 V401F328-Y365 HydrophobicContact CE1-CD1 4.16Å; F328-Y365 HydrophobicContact CE1-CE1 4.26Å; V350-Y365 HydrophobicContact CG2-CD1 3.88Å; V350-Y365 HydrophobicContact CG2-CE1 4.29Å; V350-Y365 HydrophobicContact CG2-CG 4.4Å; R351-Y365 WeakPolarHBondContact CA-OH 3.23Å; A352-Y365 HydrophobicContact CB-CE1 3.87Å; A352-Y365 PolarHBondContact N-OH 2.78Å; A352-Y365 PolarHBondContact O-OH 2.86Å; V363-Y365 HydrophobicContact CG1-CE1 4.35Å; Y365-I376 HydrophobicContact CG-CD1 4.37Å; Y365-I376 WeakPolarHBondContact O-CG2 3.19Å; Y365-S378 WeakPolarHBondContact CD2-O 3.42Å; Y365-S378 WeakPolarHBondContact CE2-O 3.3Å; Y365-V401 WeakPolarHBondContact CA-O 3.43Å
366S91.2Very high89.4Confident43 Ų4348 Ų4830%0.30128%0.279SS..EExtended strand (participates in β ladder)trans-118.5168.8165.863.40000109.3V400 V401 T403S366-V400 WeakPolarHBondContact O-CG1 3.45Å; S366-V401 PolarHBondContact N-O 3.33Å; S366-V401 PolarHBondContact O-N 2.78Å; S366-T403 PolarHBondContact OG-OG1 2.79Å
367L93.6Very high89.6Confident9 Ų949.4 Ų49.45%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-97.4140.7168.3-61169.8000107.5N371 F374 I376 L398 V399 V400L367-N371 HydrophobicContact CB-CB 4.47Å; L367-N371 VanDerWaalsContact O-CG 3.31Å; L367-N371 PolarHBondContact O-ND2 3.28Å; L367-N371 PolarHBondContact O-OD1 2.77Å; L367-N371 VanDerWaalsContact O-OD1 3.08Å; L367-F374 HydrophobicContact CD1-CB 3.86Å; L367-F374 WeakPolarHBondContact CD1-O 3.36Å; L367-I376 HydrophobicContact CD1-CB 4.36Å; L367-I376 HydrophobicContact CD1-CG2 4.43Å; L367-I376 HydrophobicContact CD2-CB 4.09Å; L367-I376 HydrophobicContact CD2-CD1 4.29Å; L367-I376 HydrophobicContact CD2-CG2 4.27Å; L367-I376 HydrophobicContact CG-CB 4.08Å; L367-I376 HydrophobicContact CG-CG2 3.88Å; L367-L398 HydrophobicContact CB-CD1 4.38Å; L367-L398 HydrophobicContact CD1-CD1 4.17Å; L367-L398 HydrophobicContact CD2-CD1 4Å; L367-L398 HydrophobicContact CD2-CD2 3.93Å; L367-L398 HydrophobicContact CD2-CG 4Å; L367-L398 HydrophobicContact CG-CD1 4.39Å; L367-V399 CarbonylContact C-O 3.53Å; L367-V399 WeakPolarHBondContact CA-O 3.21Å; L367-V400 HydrophobicContact CD2-CB 4.35Å; L367-V400 HydrophobicContact CD2-CG1 4.14Å; L367-V400 HydrophobicContact CD2-CG2 3.9Å
368G88.8Confident89.7Confident45 Ų4553.5 Ų53.546%0.46431%0.314SS..SBendtrans-85.6-15.8178.500000112.6V399G368-V399 PolarHBondContact N-O 2.91Å
369N91.8Very high89.9Confident47 Ų4754.5 Ų54.525%0.25130%0.304SS..SBendtrans-153.9167171.459.79.6000110N371 E397 L398 V399N369-N371 PolarHBondContact N-OD1 2.94Å; N369-N371 PolarHBondContact O-N 2.62Å; N369-N371 VanDerWaalsContact O-N 3.08Å; N369-N371 PolarHBondContact O-OD1 3.22Å; N369-E397 PolarHBondContact ND2-O 3.2Å; N369-E397 PolarHBondContact OD1-O 3.11Å; N369-L398 VanDerWaalsContact O-CD1 3.27Å; N369-L398 WeakPolarHBondContact O-CD1 3.21Å; N369-L398 WeakPolarHBondContact OD1-CA 3.37Å; N369-V399 PolarHBondContact OD1-N 2.86Å
370F90.9Very high90.4Very high38 Ų3850 Ų5017%0.16728%0.281CS..  trans56.223.8176.3-45.9-60000115.7N372 L373 F374 Y396 L398F370-N372 PolarHBondContact O-N 3.3Å; F370-L373 HydrophobicContact CB-CB 4.32Å; F370-L373 HydrophobicContact CB-CD1 4.48Å; F370-L373 HydrophobicContact CD1-CD1 4.18Å; F370-L373 WeakPolarHBondContact O-CA 3.37Å; F370-L373 PolarHBondContact O-N 3.41Å; F370-F374 HydrophobicContact CB-CD2 3.86Å; F370-F374 HydrophobicContact CB-CE2 4.32Å; F370-F374 PolarHBondContact O-N 2.81Å; F370-Y396 AromaticContact CD1-CD1 3.66Å; F370-Y396 HydrophobicContact CD1-CD1 3.66Å; F370-Y396 HydrophobicContact CD1-CE1 4.09Å; F370-Y396 HydrophobicContact CD2-CD1 4.06Å; F370-Y396 AromaticContact CE1-CD1 3.7Å; F370-Y396 HydrophobicContact CE1-CD1 3.7Å; F370-Y396 HydrophobicContact CE1-CE1 4.21Å; F370-Y396 HydrophobicContact CE2-CD1 4.09Å; F370-Y396 AromaticContact CG-CD1 3.86Å; F370-Y396 HydrophobicContact CG-CD1 3.86Å; F370-Y396 AromaticContact CZ-CD1 3.93Å; F370-Y396 HydrophobicContact CZ-CD1 3.93Å; F370-L398 HydrophobicContact CB-CD1 4Å; F370-L398 HydrophobicContact CD2-CD1 4.21Å
371N87Confident90.7Very high88 Ų8849.9 Ų49.947%0.47128%0.281SS..THydrogen-bonded Turntrans-57.6-18177.5-51.641.7000114.1L367 N369 F374L367-N371 HydrophobicContact CB-CB 4.47Å; L367-N371 VanDerWaalsContact O-CG 3.31Å; L367-N371 PolarHBondContact O-ND2 3.28Å; L367-N371 PolarHBondContact O-OD1 2.77Å; L367-N371 VanDerWaalsContact O-OD1 3.08Å; N369-N371 PolarHBondContact N-OD1 2.94Å; N369-N371 PolarHBondContact O-N 2.62Å; N369-N371 VanDerWaalsContact O-N 3.08Å; N369-N371 PolarHBondContact O-OD1 3.22Å; N371-F374 CarbonylContact C-O 3.58Å; N371-F374 VanDerWaalsContact O-O 3.12Å
372N86.9Confident91.1Very high108 Ų10849 Ų4958%0.57827%0.271SS*.THydrogen-bonded Turntrans-86.1-22.1174.961.8-49.8000113F370 V386F370-N372 PolarHBondContact O-N 3.3Å; N372-V386 VanDerWaalsContact O-CG2 3.29Å; N372-V386 WeakPolarHBondContact O-CG2 3.48Å
373L90.5Very high91.3Very high31 Ų3147.2 Ų47.216%0.16226%0.26CS..THydrogen-bonded Turntrans-104.1-35.2-176.3-59.6-179.8000112F370 T384 A385 V386 L388 Y396F370-L373 HydrophobicContact CB-CB 4.32Å; F370-L373 HydrophobicContact CB-CD1 4.48Å; F370-L373 HydrophobicContact CD1-CD1 4.18Å; F370-L373 WeakPolarHBondContact O-CA 3.37Å; F370-L373 PolarHBondContact O-N 3.41Å; L373-T384 CarbonylContact O-C 3.58Å; L373-T384 WeakPolarHBondContact O-CA 3.41Å; L373-A385 PolarHBondContact O-N 3.39Å; L373-V386 HydrophobicContact CD2-CG2 3.87Å; L373-L388 HydrophobicContact CB-CD2 3.77Å; L373-L388 HydrophobicContact CD2-CD2 4.27Å; L373-L388 HydrophobicContact CG-CD2 4.43Å; L373-Y396 HydrophobicContact CD1-CD1 4.07Å; L373-Y396 HydrophobicContact CD1-CE1 3.23Å
374F92.9Very high91.3Very high0 Ų045.7 Ų45.70%025%0.251CS..EExtended strand (participates in β ladder)trans-120.2146174.7-57.1-82000110V347 L367 F370 N371 I382 Y383 T384 L388 Y396 L398 I418V347-F374 HydrophobicContact CG2-CD1 4.15Å; V347-F374 HydrophobicContact CG2-CE1 4.18Å; L367-F374 HydrophobicContact CD1-CB 3.86Å; L367-F374 WeakPolarHBondContact CD1-O 3.36Å; F370-F374 HydrophobicContact CB-CD2 3.86Å; F370-F374 HydrophobicContact CB-CE2 4.32Å; F370-F374 PolarHBondContact O-N 2.81Å; N371-F374 CarbonylContact C-O 3.58Å; N371-F374 VanDerWaalsContact O-O 3.12Å; F374-I382 HydrophobicContact CB-CG2 4.27Å; F374-Y383 CarbonylContact C-O 3.57Å; F374-Y383 WeakPolarHBondContact CA-O 3.45Å; F374-T384 HydrophobicContact CD1-CG2 4.18Å; F374-T384 HydrophobicContact CE1-CG2 3.92Å; F374-L388 HydrophobicContact CE1-CD1 4.07Å; F374-L388 HydrophobicContact CZ-CD1 3.82Å; F374-L388 HydrophobicContact CZ-CD2 4.26Å; F374-Y396 HydrophobicContact CE2-CD1 4.27Å; F374-Y396 AromaticContact CE2-CD2 3.76Å; F374-Y396 HydrophobicContact CE2-CD2 3.76Å; F374-Y396 HydrophobicContact CE2-CE2 4.36Å; F374-Y396 AromaticContact CE2-CG 3.72Å; F374-Y396 HydrophobicContact CE2-CG 3.72Å; F374-Y396 AromaticContact CZ-CD2 3.74Å; F374-Y396 HydrophobicContact CZ-CD2 3.74Å; F374-Y396 HydrophobicContact CZ-CE2 4.31Å; F374-Y396 HydrophobicContact CZ-CG 4.15Å; F374-L398 HydrophobicContact CB-CD1 4.27Å; F374-L398 HydrophobicContact CB-CD2 4.08Å; F374-L398 HydrophobicContact CD2-CD1 3.98Å; F374-L398 HydrophobicContact CD2-CD2 4.37Å; F374-L398 HydrophobicContact CG-CD1 4.37Å; F374-L398 HydrophobicContact CG-CD2 4.12Å; F374-I418 HydrophobicContact CD1-CD1 4.05Å; F374-I418 HydrophobicContact CD2-CD1 4.28Å; F374-I418 HydrophobicContact CE1-CD1 3.67Å; F374-I418 HydrophobicContact CE1-CG2 4.13Å; F374-I418 HydrophobicContact CE2-CD1 3.93Å; F374-I418 HydrophobicContact CG-CD1 4.34Å; F374-I418 HydrophobicContact CZ-CB 4.4Å; F374-I418 HydrophobicContact CZ-CD1 3.61Å; F374-I418 HydrophobicContact CZ-CG2 3.98Å
375R92.5Very high91.2Very high81 Ų8143.3 Ų43.331%0.30625%0.246SC..EExtended strand (participates in β ladder)trans-117.5138.6171.559.5176.1-176.569.73.3109.5N344 I382 Y383 A385N344-R375 VanDerWaalsContact OD1-CZ 3.27Å; N344-R375 PolarHBondContact OD1-NE 2.89Å; N344-R375 PolarHBondContact OD1-NH2 2.74Å; R375-I382 WeakPolarHBondContact O-CA 3.16Å; R375-Y383 PolarHBondContact N-O 3.23Å; R375-Y383 PolarHBondContact O-N 3.14Å; R375-A385 HydrophobicContact CB-CB 3.9Å; R375-A385 HydrophobicContact CG-CB 4.13Å
376I94.3Very high90.9Very high32 Ų3244.6 Ų44.616%0.16426%0.258CS..EExtended strand (participates in β ladder)trans-105.5137.4169.6-168.5158.7000109.5V350 Y365 L367 S381 I382 V400V350-I376 HydrophobicContact CG2-CD1 3.78Å; Y365-I376 HydrophobicContact CG-CD1 4.37Å; Y365-I376 WeakPolarHBondContact O-CG2 3.19Å; L367-I376 HydrophobicContact CD1-CB 4.36Å; L367-I376 HydrophobicContact CD1-CG2 4.43Å; L367-I376 HydrophobicContact CD2-CB 4.09Å; L367-I376 HydrophobicContact CD2-CD1 4.29Å; L367-I376 HydrophobicContact CD2-CG2 4.27Å; L367-I376 HydrophobicContact CG-CB 4.08Å; L367-I376 HydrophobicContact CG-CG2 3.88Å; I376-S381 CarbonylContact C-O 3.58Å; I376-S381 WeakPolarHBondContact CA-O 3.25Å; I376-I382 HydrophobicContact CB-CG1 4.48Å; I376-I382 HydrophobicContact CD1-CD1 4.47Å; I376-I382 HydrophobicContact CD1-CG1 4Å; I376-I382 HydrophobicContact CG1-CG1 4.14Å; I376-V400 HydrophobicContact CD1-CG1 3.43Å; I376-V400 VanDerWaalsContact CD1-CG1 3.43Å
377T92.6Very high90.7Very high38 Ų3847.5 Ų47.523%0.23327%0.265CS..  trans-89164.1174.652.60000111N379 G380 S381 Y383T377-N379 VanDerWaalsContact CB-OD1 3.32Å; T377-N379 WeakPolarHBondContact CB-OD1 3.36Å; T377-N379 PolarHBondContact O-N 2.78Å; T377-N379 VanDerWaalsContact O-N 3.14Å; T377-N379 PolarHBondContact OG1-OD1 2.77Å; T377-G380 WeakPolarHBondContact O-CA 3.29Å; T377-G380 PolarHBondContact O-N 3.37Å; T377-S381 PolarHBondContact N-O 2.92Å; T377-S381 WeakPolarHBondContact OG1-CA 3.47Å; T377-S381 VanDerWaalsContact OG1-CB 3.29Å; T377-S381 WeakPolarHBondContact OG1-CB 3.41Å; T377-S381 PolarHBondContact OG1-N 2.76Å; T377-S381 VanDerWaalsContact OG1-N 3.11Å; T377-S381 PolarHBondContact OG1-O 3.37Å; T377-S381 VanDerWaalsContact OG1-O 3.07Å; T377-Y383 HydrophobicContact CG2-CD2 4.34Å; T377-Y383 HydrophobicContact CG2-CE2 4.1Å
378S87.8Confident90.5Very high117 Ų11747.1 Ų47.182%0.81826%0.263SS*.THydrogen-bonded Turntrans-63.3-19-177.751.30000114.9Y365 G380Y365-S378 WeakPolarHBondContact CD2-O 3.42Å; Y365-S378 WeakPolarHBondContact CE2-O 3.3Å; S378-G380 VanDerWaalsContact C-N 3.33Å
379N90.3Very high90.5Very high87 Ų8747 Ų4747%0.46525%0.252SS..THydrogen-bonded Turntrans-9110.4169.772.1-41.4000113.5Q349 T377 S381Q349-N379 PolarHBondContact NE2-ND2 3.01Å; Q349-N379 PolarHBondContact NE2-O 2.64Å; T377-N379 VanDerWaalsContact CB-OD1 3.32Å; T377-N379 WeakPolarHBondContact CB-OD1 3.36Å; T377-N379 PolarHBondContact O-N 2.78Å; T377-N379 VanDerWaalsContact O-N 3.14Å; T377-N379 PolarHBondContact OG1-OD1 2.77Å; N379-S381 PolarHBondContact ND2-OG 3.22Å
380G91.3Very high90.3Very high0 Ų046.8 Ų46.80%025%0.247CC..SBendtrans85.83.817500000116.3Q349 V350 T377 S378Q349-G380 CarbonylContact C-O 3.52Å; Q349-G380 VanDerWaalsContact CA-O 3.25Å; Q349-G380 WeakPolarHBondContact CA-O 3.29Å; V350-G380 PolarHBondContact N-O 2.85Å; T377-G380 WeakPolarHBondContact O-CA 3.29Å; T377-G380 PolarHBondContact O-N 3.37Å; S378-G380 VanDerWaalsContact C-N 3.33Å
381S93.7Very high90.1Very high8 Ų847.5 Ų47.56%0.05625%0.251CS..EExtended strand (participates in β ladder)trans-79.1135.4-177.4-52.70000112.2G348 Q349 I376 T377 N379G348-S381 CarbonylContact O-C 3.6Å; G348-S381 WeakPolarHBondContact O-CA 3.33Å; Q349-S381 VanDerWaalsContact CD-OG 3.23Å; Q349-S381 PolarHBondContact NE2-OG 2.99Å; Q349-S381 PolarHBondContact OE1-OG 2.95Å; I376-S381 CarbonylContact C-O 3.58Å; I376-S381 WeakPolarHBondContact CA-O 3.25Å; T377-S381 PolarHBondContact N-O 2.92Å; T377-S381 WeakPolarHBondContact OG1-CA 3.47Å; T377-S381 VanDerWaalsContact OG1-CB 3.29Å; T377-S381 WeakPolarHBondContact OG1-CB 3.41Å; T377-S381 PolarHBondContact OG1-N 2.76Å; T377-S381 VanDerWaalsContact OG1-N 3.11Å; T377-S381 PolarHBondContact OG1-O 3.37Å; T377-S381 VanDerWaalsContact OG1-O 3.07Å; N379-S381 PolarHBondContact ND2-OG 3.22Å
382I94Very high90Very high1 Ų147.4 Ų47.41%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-107.9132.6-172.2-55172.5000109.7V347 G348 F374 R375 I376 L398 V400 L416V347-I382 WeakPolarHBondContact CA-O 3.14Å; V347-I382 HydrophobicContact CB-CB 4.44Å; V347-I382 HydrophobicContact CB-CG2 4.12Å; V347-I382 PolarHBondContact N-O 2.54Å; G348-I382 PolarHBondContact N-O 3.32Å; G348-I382 PolarHBondContact O-N 2.88Å; F374-I382 HydrophobicContact CB-CG2 4.27Å; R375-I382 WeakPolarHBondContact O-CA 3.16Å; I376-I382 HydrophobicContact CB-CG1 4.48Å; I376-I382 HydrophobicContact CD1-CD1 4.47Å; I376-I382 HydrophobicContact CD1-CG1 4Å; I376-I382 HydrophobicContact CG1-CG1 4.14Å; I382-L398 HydrophobicContact CD1-CD2 4.1Å; I382-L398 HydrophobicContact CG2-CD2 3.66Å; I382-V400 HydrophobicContact CD1-CG2 3.95Å; I382-L416 HydrophobicContact CD1-CD1 3.45Å; I382-L416 VanDerWaalsContact CD1-CD1 3.45Å
383Y93.4Very high90Very high65 Ų6546.6 Ų46.626%0.25525%0.251SS..EExtended strand (participates in β ladder)trans-135162.9177.6-61.2-100000110.2N344 A345 F346 F374 R375 T377 A385N344-Y383 WeakPolarHBondContact O-CD1 3.41Å; A345-Y383 CarbonylContact O-C 3.59Å; A345-Y383 WeakPolarHBondContact O-CA 3.5Å; A345-Y383 WeakPolarHBondContact O-CB 3.38Å; F346-Y383 HydrophobicContact CB-CD1 4Å; F346-Y383 HydrophobicContact CB-CE1 3.9Å; F346-Y383 HydrophobicContact CD2-CD1 4.19Å; F346-Y383 AromaticContact CD2-CE1 3.74Å; F346-Y383 HydrophobicContact CD2-CE1 3.74Å; F346-Y383 HydrophobicContact CD2-CE2 4.39Å; F346-Y383 AromaticContact CD2-CZ 3.84Å; F346-Y383 HydrophobicContact CG-CE1 4.3Å; F374-Y383 CarbonylContact C-O 3.57Å; F374-Y383 WeakPolarHBondContact CA-O 3.45Å; R375-Y383 PolarHBondContact N-O 3.23Å; R375-Y383 PolarHBondContact O-N 3.14Å; T377-Y383 HydrophobicContact CG2-CD2 4.34Å; T377-Y383 HydrophobicContact CG2-CE2 4.1Å; Y383-A385 PolarHBondContact O-N 3.07Å
384T90.9Very high89.9Confident0 Ų049.1 Ų49.10%027%0.265CS..EExtended strand (participates in β ladder)trans-65.3129.7161.1580000109.4V338 E342 N344 A345 V347 L373 F374 V386 L388V338-T384 HydrophobicContact CG1-CG2 4.28Å; V338-T384 HydrophobicContact CG2-CG2 3.75Å; E342-T384 PolarHBondContact O-OG1 3.36Å; N344-T384 VanDerWaalsContact CA-O 3.23Å; N344-T384 WeakPolarHBondContact CA-O 3.49Å; N344-T384 PolarHBondContact N-O 2.83Å; N344-T384 PolarHBondContact N-OG1 2.8Å; A345-T384 HydrophobicContact CB-CG2 4.37Å; A345-T384 PolarHBondContact N-OG1 2.85Å; A345-T384 PolarHBondContact O-N 3.01Å; V347-T384 HydrophobicContact CG2-CG2 4.36Å; L373-T384 CarbonylContact O-C 3.58Å; L373-T384 WeakPolarHBondContact O-CA 3.41Å; F374-T384 HydrophobicContact CD1-CG2 4.18Å; F374-T384 HydrophobicContact CE1-CG2 3.92Å; T384-V386 WeakPolarHBondContact CB-O 3.2Å; T384-L388 HydrophobicContact CG2-CD1 3.91Å; T384-L388 HydrophobicContact CG2-CD2 4.45Å; T384-L388 HydrophobicContact CG2-CG 3.94Å
385A87.5Confident89.9Confident33 Ų3351.8 Ų51.827%0.27328%0.277SS..SBendtrans-80.2-39.9177.500000111.1L373 R375 Y383L373-A385 PolarHBondContact O-N 3.39Å; R375-A385 HydrophobicContact CB-CB 3.9Å; R375-A385 HydrophobicContact CG-CB 4.13Å; Y383-A385 PolarHBondContact O-N 3.07Å
386V87.2Confident89.9Confident65 Ų6548.3 Ų48.339%0.39426%0.264SS..SBendtrans-125172.3177-630000108.8N372 L373 T384 L388N372-V386 VanDerWaalsContact O-CG2 3.29Å; N372-V386 WeakPolarHBondContact O-CG2 3.48Å; L373-V386 HydrophobicContact CD2-CG2 3.87Å; T384-V386 WeakPolarHBondContact CB-O 3.2Å; V386-L388 PolarHBondContact O-N 2.66Å
387K86.9Confident89.8Confident104 Ų10451.9 Ų51.945%0.45228%0.28SS..  trans-58.5127.1162.5-63.1-161170.5-140.50109E341 A343E341-K387 HydrophobicContact CB-CD 4.35Å; E341-K387 VanDerWaalsContact CD-CD 3.41Å; E341-K387 HydrophobicContact CG-CD 4.48Å; E341-K387 WeakPolarHBondContact O-CD 3.26Å; E341-K387 WeakPolarHBondContact O-CE 3.49Å; E341-K387 WeakPolarHBondContact O-CG 3.43Å; E341-K387 PolarHBondContact O-NZ 3.4Å; E341-K387 WeakPolarHBondContact OE1-CB 3.23Å; E341-K387 WeakPolarHBondContact OE1-CD 3.26Å; E341-K387 IonicContact OE1-NZ 2.73Å; E341-K387 VanDerWaalsContact OE2-CD 3.26Å; E341-K387 WeakPolarHBondContact OE2-CD 3.49Å; E341-K387 WeakPolarHBondContact OE2-CE 3.33Å; E341-K387 IonicContact OE2-NZ 3.12Å; E341-K387 PolarHBondContact OE2-NZ 2.87Å; A343-K387 HydrophobicContact CB-CG 3.9Å
388L89.9Confident89.9Confident1 Ų150.1 Ų50.11%0.00527%0.269CS..  trans-77.6154.5167.5-56.5-177.4000108.5V338 E340 E341 L373 F374 T384 V386 Y396 V420V338-L388 HydrophobicContact CG1-CD1 3.49Å; V338-L388 VanDerWaalsContact CG1-CD1 3.49Å; E340-L388 WeakPolarHBondContact CB-O 2.97Å; E341-L388 PolarHBondContact N-O 3.19Å; L373-L388 HydrophobicContact CB-CD2 3.77Å; L373-L388 HydrophobicContact CD2-CD2 4.27Å; L373-L388 HydrophobicContact CG-CD2 4.43Å; F374-L388 HydrophobicContact CE1-CD1 4.07Å; F374-L388 HydrophobicContact CZ-CD1 3.82Å; F374-L388 HydrophobicContact CZ-CD2 4.26Å; T384-L388 HydrophobicContact CG2-CD1 3.91Å; T384-L388 HydrophobicContact CG2-CD2 4.45Å; T384-L388 HydrophobicContact CG2-CG 3.94Å; V386-L388 PolarHBondContact O-N 2.66Å; L388-Y396 HydrophobicContact CD1-CE2 4.14Å; L388-Y396 HydrophobicContact CD2-CE2 4.42Å; L388-V420 HydrophobicContact CB-CG1 4.39Å; L388-V420 HydrophobicContact CD1-CG2 4.07Å
389N87.1Confident90.1Very high44 Ų4446 Ų4624%0.23524%0.24CC..  trans-126.6138.2167.2165.8-88.4000108.3E340 E391 A392E340-N389 VanDerWaalsContact OE2-CA 3.23Å; E340-N389 WeakPolarHBondContact OE2-CA 3.39Å; N389-E391 PolarHBondContact ND2-OE2 2.86Å; N389-E391 PolarHBondContact OD1-N 2.85Å; N389-A392 WeakPolarHBondContact OD1-CB 3.41Å; N389-A392 PolarHBondContact OD1-N 3.27Å
390R89.6Confident90.3Very high42 Ų4241.9 Ų41.916%0.15822%0.217CC..THydrogen-bonded Turntrans-90.1-29.5-170.6-167.7-159.957.343.2-2.2112.5E340 A392 R393 D394 V420 D422E340-R390 VanDerWaalsContact OE1-CB 3.25Å; E340-R390 WeakPolarHBondContact OE1-CB 3.29Å; E340-R390 WeakPolarHBondContact OE2-CB 3.4Å; E340-R390 PolarHBondContact OE2-N 2.92Å; R390-A392 PolarHBondContact O-N 2.85Å; R390-R393 CarbonylContact O-C 3.58Å; R390-R393 PolarHBondContact O-N 3.37Å; R390-R393 VanDerWaalsContact O-N 3.17Å; R390-D394 HydrophobicContact CG-CB 4.28Å; R390-V420 HydrophobicContact CB-CG1 3.96Å; R390-V420 HydrophobicContact CG-CB 4.34Å; R390-V420 HydrophobicContact CG-CG1 4.16Å; R390-D422 IonicContact CZ-OD1 3.7Å; R390-D422 IonicContact NE-OD1 2.71Å; R390-D422 PolarHBondContact NE-OD1 3.48Å; R390-D422 IonicContact NH2-OD1 3.92Å; R390-D422 PolarHBondContact NH2-OD1 3.46Å
391E86.4Confident90.4Very high53 Ų5342.7 Ų42.725%0.24822%0.222CC..THydrogen-bonded Turntrans-60.6-40.4176.4-69.948.6-101.200109N389 V457N389-E391 PolarHBondContact ND2-OE2 2.86Å; N389-E391 PolarHBondContact OD1-N 2.85Å; E391-V457 HydrophobicContact CG-CB 3.99Å; E391-V457 HydrophobicContact CG-CG2 3.93Å
392A83.5Confident90.4Very high85 Ų8542.3 Ų42.370%0.70222%0.22SC*.THydrogen-bonded Turntrans-67.6-46.9172.100000112.4N389 R390N389-A392 WeakPolarHBondContact OD1-CB 3.41Å; N389-A392 PolarHBondContact OD1-N 3.27Å; R390-A392 PolarHBondContact O-N 2.85Å
393R87.9Confident90.3Very high92 Ų9243.4 Ų43.435%0.34723%0.226SC..  trans-167.2128-179.6-176.8158.1177156.39.4114.7R390 H395 Y396R390-R393 CarbonylContact O-C 3.58Å; R390-R393 PolarHBondContact O-N 3.37Å; R390-R393 VanDerWaalsContact O-N 3.17Å; R393-H395 WeakPolarHBondContact CG-O 3.43Å; R393-H395 PolarHBondContact NE-O 3.26Å; R393-H395 PolarHBondContact NH2-O 2.92Å; R393-Y396 HydrophobicContact CB-CE1 4.09Å; R393-Y396 HydrophobicContact CG-CD1 4.29Å; R393-Y396 HydrophobicContact CG-CE1 3.77Å
394D88.3Confident90.2Very high84 Ų8440.6 Ų40.645%0.44922%0.216SC..SBendtrans-87.1-17.6-174.973-36.1000116.1R390 V420R390-D394 HydrophobicContact CG-CB 4.28Å; D394-V420 WeakPolarHBondContact O-CB 3.1Å; D394-V420 WeakPolarHBondContact O-CG2 3.14Å; D394-V420 PolarHBondContact O-N 2.71Å
395H92.6Very high89.8Confident56 Ų5641.8 Ų41.826%0.25923%0.228SC..EExtended strand (participates in β ladder)trans-152.6153.3-17973.5-75.4000113.5R393 Y417 I418R393-H395 WeakPolarHBondContact CG-O 3.43Å; R393-H395 PolarHBondContact NE-O 3.26Å; R393-H395 PolarHBondContact NH2-O 2.92Å; H395-Y417 AromaticContact CD2-CE2 3.96Å; H395-I418 CarbonylContact C-O 3.56Å; H395-I418 VanDerWaalsContact CA-O 3.24Å; H395-I418 WeakPolarHBondContact CA-O 3.4Å; H395-I418 WeakPolarHBondContact CB-O 3.35Å
396Y92.1Very high89.4Confident7 Ų740.9 Ų40.93%0.02722%0.22CC..EExtended strand (participates in β ladder)trans-135.1132.1-177.8-58.8-84.2000112.4F370 L373 F374 L388 R393 L398 Y417 I418 V420F370-Y396 AromaticContact CD1-CD1 3.66Å; F370-Y396 HydrophobicContact CD1-CD1 3.66Å; F370-Y396 HydrophobicContact CD1-CE1 4.09Å; F370-Y396 HydrophobicContact CD2-CD1 4.06Å; F370-Y396 AromaticContact CE1-CD1 3.7Å; F370-Y396 HydrophobicContact CE1-CD1 3.7Å; F370-Y396 HydrophobicContact CE1-CE1 4.21Å; F370-Y396 HydrophobicContact CE2-CD1 4.09Å; F370-Y396 AromaticContact CG-CD1 3.86Å; F370-Y396 HydrophobicContact CG-CD1 3.86Å; F370-Y396 AromaticContact CZ-CD1 3.93Å; F370-Y396 HydrophobicContact CZ-CD1 3.93Å; L373-Y396 HydrophobicContact CD1-CD1 4.07Å; L373-Y396 HydrophobicContact CD1-CE1 3.23Å; F374-Y396 HydrophobicContact CE2-CD1 4.27Å; F374-Y396 AromaticContact CE2-CD2 3.76Å; F374-Y396 HydrophobicContact CE2-CD2 3.76Å; F374-Y396 HydrophobicContact CE2-CE2 4.36Å; F374-Y396 AromaticContact CE2-CG 3.72Å; F374-Y396 HydrophobicContact CE2-CG 3.72Å; F374-Y396 AromaticContact CZ-CD2 3.74Å; F374-Y396 HydrophobicContact CZ-CD2 3.74Å; F374-Y396 HydrophobicContact CZ-CE2 4.31Å; F374-Y396 HydrophobicContact CZ-CG 4.15Å; L388-Y396 HydrophobicContact CD1-CE2 4.14Å; L388-Y396 HydrophobicContact CD2-CE2 4.42Å; R393-Y396 HydrophobicContact CB-CE1 4.09Å; R393-Y396 HydrophobicContact CG-CD1 4.29Å; R393-Y396 HydrophobicContact CG-CE1 3.77Å; Y396-L398 PolarHBondContact O-N 2.9Å; Y396-Y417 CarbonylContact O-C 3.59Å; Y396-I418 PolarHBondContact N-O 3.27Å; Y396-I418 PolarHBondContact O-N 2.81Å; Y396-V420 HydrophobicContact CD2-CG2 3.99Å; Y396-V420 HydrophobicContact CE2-CG2 3.5Å; Y396-V420 VanDerWaalsContact CE2-CG2 3.5Å
397E93.2Very high88.9Confident108 Ų10843.7 Ų43.751%0.50524%0.237SC..EExtended strand (participates in β ladder)trans-94.682.9170.2-66.4-169.4149.600109.8N369 V399 T415 L416 Y417N369-E397 PolarHBondContact ND2-O 3.2Å; N369-E397 PolarHBondContact OD1-O 3.11Å; E397-V399 PolarHBondContact O-N 3.42Å; E397-T415 HydrophobicContact CB-CG2 4.4Å; E397-L416 CarbonylContact C-O 3.47Å; E397-L416 VanDerWaalsContact C-O 3.28Å; E397-L416 VanDerWaalsContact CA-O 3.29Å; E397-L416 WeakPolarHBondContact CA-O 3.47Å; E397-Y417 HydrophobicContact CG-CD2 4.07Å
398L93.2Very high88.7Confident0 Ų046.3 Ų46.30%025%0.251CS..EExtended strand (participates in β ladder)trans-74.1111.5-172.7-17366.9000111.8L367 N369 F370 F374 I382 Y396 L416 I418L367-L398 HydrophobicContact CB-CD1 4.38Å; L367-L398 HydrophobicContact CD1-CD1 4.17Å; L367-L398 HydrophobicContact CD2-CD1 4Å; L367-L398 HydrophobicContact CD2-CD2 3.93Å; L367-L398 HydrophobicContact CD2-CG 4Å; L367-L398 HydrophobicContact CG-CD1 4.39Å; N369-L398 VanDerWaalsContact O-CD1 3.27Å; N369-L398 WeakPolarHBondContact O-CD1 3.21Å; N369-L398 WeakPolarHBondContact OD1-CA 3.37Å; F370-L398 HydrophobicContact CB-CD1 4Å; F370-L398 HydrophobicContact CD2-CD1 4.21Å; F374-L398 HydrophobicContact CB-CD1 4.27Å; F374-L398 HydrophobicContact CB-CD2 4.08Å; F374-L398 HydrophobicContact CD2-CD1 3.98Å; F374-L398 HydrophobicContact CD2-CD2 4.37Å; F374-L398 HydrophobicContact CG-CD1 4.37Å; F374-L398 HydrophobicContact CG-CD2 4.12Å; I382-L398 HydrophobicContact CD1-CD2 4.1Å; I382-L398 HydrophobicContact CG2-CD2 3.66Å; Y396-L398 PolarHBondContact O-N 2.9Å; L398-L416 HydrophobicContact CB-CB 4.44Å; L398-L416 PolarHBondContact N-O 3.31Å; L398-L416 PolarHBondContact O-N 3.21Å; L398-I418 HydrophobicContact CB-CD1 3.64Å; L398-I418 HydrophobicContact CB-CG1 4.4Å; L398-I418 HydrophobicContact CD2-CD1 3.7Å; L398-I418 HydrophobicContact CG-CD1 4.27Å
399V93.8Very high88.4Confident32 Ų3249.1 Ų49.119%0.19427%0.269CS..EExtended strand (participates in β ladder)trans-83.5134.8169.61800000108.9L367 G368 N369 E397 V401 L414 T415L367-V399 CarbonylContact C-O 3.53Å; L367-V399 WeakPolarHBondContact CA-O 3.21Å; G368-V399 PolarHBondContact N-O 2.91Å; N369-V399 PolarHBondContact OD1-N 2.86Å; E397-V399 PolarHBondContact O-N 3.42Å; V399-V401 HydrophobicContact CG1-CG2 4.18Å; V399-L414 CarbonylContact C-O 3.59Å; V399-L414 WeakPolarHBondContact CA-O 3.29Å; V399-T415 HydrophobicContact CG2-CG2 4.11Å
400V93.7Very high88.5Confident0 Ų051.7 Ų51.70%028%0.276CS..EExtended strand (participates in β ladder)trans-115.3137.5172.5-163.90000108.1F328 V350 S366 L367 I376 I382 T413 L414 L416F328-V400 HydrophobicContact CE1-CG1 4.46Å; F328-V400 HydrophobicContact CZ-CB 4.25Å; F328-V400 HydrophobicContact CZ-CG1 4.07Å; V350-V400 HydrophobicContact CG1-CG1 4.45Å; V350-V400 HydrophobicContact CG1-CG2 4.36Å; V350-V400 HydrophobicContact CG2-CG1 3.82Å; S366-V400 WeakPolarHBondContact O-CG1 3.45Å; L367-V400 HydrophobicContact CD2-CB 4.35Å; L367-V400 HydrophobicContact CD2-CG1 4.14Å; L367-V400 HydrophobicContact CD2-CG2 3.9Å; I376-V400 HydrophobicContact CD1-CG1 3.43Å; I376-V400 VanDerWaalsContact CD1-CG1 3.43Å; I382-V400 HydrophobicContact CD1-CG2 3.95Å; V400-T413 CarbonylContact O-C 3.58Å; V400-T413 WeakPolarHBondContact O-CA 3.39Å; V400-L414 PolarHBondContact N-O 3.02Å; V400-L414 PolarHBondContact O-N 3.01Å; V400-L416 HydrophobicContact CG2-CD1 3.78Å; V400-L416 HydrophobicContact CG2-CG 4.27Å
401V93.4Very high88.6Confident17 Ų1755.1 Ų55.110%0.10329%0.293CS..EExtended strand (participates in β ladder)trans-122.8125.2-175.6-1730000108.5Y365 S366 V399 T403 H411 S412 T413Y365-V401 WeakPolarHBondContact CA-O 3.43Å; S366-V401 PolarHBondContact N-O 3.33Å; S366-V401 PolarHBondContact O-N 2.78Å; V399-V401 HydrophobicContact CG1-CG2 4.18Å; V401-T403 WeakPolarHBondContact CG1-OG1 3.15Å; V401-H411 HydrophobicContact CG1-CB 3.69Å; V401-S412 WeakPolarHBondContact CA-O 3.12Å; V401-S412 WeakPolarHBondContact CG1-O 3.33Å; V401-T413 HydrophobicContact CG1-CG2 4.27Å; V401-T413 HydrophobicContact CG2-CG2 4.08Å
402A93.8Very high88.9Confident0 Ų054 Ų540%029%0.292CS..EExtended strand (participates in β ladder)trans-93.1111.8167.900000106.5P326 F328 A352 V363 H411 S412P326-A402 HydrophobicContact CB-CB 4.02Å; F328-A402 HydrophobicContact CD1-CB 4.37Å; F328-A402 HydrophobicContact CD2-CB 3.93Å; F328-A402 HydrophobicContact CE1-CB 4Å; F328-A402 HydrophobicContact CE2-CB 3.56Å; F328-A402 VanDerWaalsContact CE2-N 3.28Å; F328-A402 HydrophobicContact CG-CB 4.33Å; F328-A402 HydrophobicContact CZ-CB 3.59Å; F328-A402 VanDerWaalsContact CZ-N 3.31Å; A352-A402 HydrophobicContact CB-CB 3.41Å; A352-A402 VanDerWaalsContact CB-CB 3.41Å; V363-A402 HydrophobicContact CG1-CB 4.13Å; A402-H411 CarbonylContact O-C 3.54Å; A402-H411 WeakPolarHBondContact O-CA 3.47Å; A402-H411 VanDerWaalsContact O-CB 3.31Å; A402-H411 WeakPolarHBondContact O-CB 3.46Å; A402-S412 PolarHBondContact N-O 3.02Å; A402-S412 PolarHBondContact O-N 3.3Å
403T90.9Very high89.3Confident24 Ų2454.2 Ų54.215%0.14728%0.284CS..EExtended strand (participates in β ladder)trans-115.9145.1-175.3-40.10000107.8V363 H364 S366 V401 P409 H411V363-T403 CarbonylContact C-O 3.4Å; V363-T403 WeakPolarHBondContact CA-O 3.33Å; H364-T403 PolarHBondContact N-O 3.15Å; H364-T403 PolarHBondContact O-N 3.17Å; S366-T403 PolarHBondContact OG-OG1 2.79Å; V401-T403 WeakPolarHBondContact CG1-OG1 3.15Å; T403-P409 HydrophobicContact CG2-CB 3.57Å; T403-P409 HydrophobicContact CG2-CG 4.27Å; T403-H411 HydrophobicContact CG2-CB 4.42Å
404D91.4Very high89.6Confident6 Ų650.7 Ų50.73%0.03227%0.272CS..  trans-71.4-176.7165.15560.2000111.2N322 P326 N360 Q362 A406 P409 R410N322-D404 VanDerWaalsContact ND2-CG 3.31Å; N322-D404 PolarHBondContact ND2-OD1 2.67Å; N322-D404 PolarHBondContact ND2-OD2 3.12Å; N322-D404 PolarHBondContact OD1-OD2 3.12Å; P326-D404 HydrophobicContact CG-CB 4.1Å; P326-D404 VanDerWaalsContact CG-N 3.32Å; N360-D404 WeakPolarHBondContact O-CB 3.27Å; Q362-D404 CarbonylContact O-C 3.54Å; Q362-D404 WeakPolarHBondContact O-CA 3.34Å; D404-A406 WeakPolarHBondContact OD1-CA 3.42Å; D404-A406 WeakPolarHBondContact OD1-CB 3.44Å; D404-A406 PolarHBondContact OD1-N 2.97Å; D404-P409 WeakPolarHBondContact OD1-CA 3.15Å; D404-P409 WeakPolarHBondContact OD1-CB 3.22Å; D404-R410 PolarHBondContact N-O 2.69Å; D404-R410 WeakPolarHBondContact OD2-CA 3.19Å; D404-R410 WeakPolarHBondContact OD2-CB 3.32Å; D404-R410 PolarHBondContact OD2-N 3.42Å
405G82.7Confident89.8Confident24 Ų2449.6 Ų49.625%0.24727%0.269CS..SBendtrans-97.513.2172.800000114.2I359 Q362I359-G405 WeakPolarHBondContact CD1-O 3.36Å; I359-G405 CarbonylContact O-C 3.59Å; I359-G405 WeakPolarHBondContact O-CA 3.35Å; I359-G405 PolarHBondContact O-N 3.28Å; Q362-G405 PolarHBondContact O-N 2.67Å; Q362-G405 VanDerWaalsContact O-N 3.11Å
406A80.5Confident89.8Confident14 Ų1447.3 Ų47.312%0.11626%0.258CS..SBendtrans-75.5165.3-174.600000113.7N322 N360 D404 P409N322-A406 HydrophobicContact CB-CB 3.6Å; N322-A406 WeakPolarHBondContact ND2-CB 3.36Å; N360-A406 HydrophobicContact CB-CB 4.34Å; N360-A406 WeakPolarHBondContact OD1-CA 3.44Å; N360-A406 WeakPolarHBondContact OD1-CB 3.44Å; D404-A406 WeakPolarHBondContact OD1-CA 3.42Å; D404-A406 WeakPolarHBondContact OD1-CB 3.44Å; D404-A406 PolarHBondContact OD1-N 2.97Å; A406-P409 WeakPolarHBondContact O-CD 3.21Å
407V75.8Confident89.8Confident124 Ų12451.5 Ų51.575%0.75228%0.275SS*.SBendtrans-73.1-30.2174.6-1790000112.3P409V407-P409 VanDerWaalsContact O-CD 3.28Å; V407-P409 WeakPolarHBondContact O-CD 3.07Å
408H81.8Confident89.8Confident159 Ų15946.4 Ų46.474%0.73625%0.251SS*.SBendtrans-114.974.7170.6-67103.3000108.6N322N322-H408 PolarHBondContact ND2-O 3.2Å
409P84.6Confident89.8Confident61 Ų6151.8 Ų51.840%0.39627%0.274SS..  trans-74.1135.1-164.928.4-35.5000112.8T403 D404 A406 V407T403-P409 HydrophobicContact CG2-CB 3.57Å; T403-P409 HydrophobicContact CG2-CG 4.27Å; D404-P409 WeakPolarHBondContact OD1-CA 3.15Å; D404-P409 WeakPolarHBondContact OD1-CB 3.22Å; A406-P409 WeakPolarHBondContact O-CD 3.21Å; V407-P409 VanDerWaalsContact O-CD 3.28Å; V407-P409 WeakPolarHBondContact O-CD 3.07Å
410R89.9Confident89.6Confident97 Ų9750.4 Ų50.437%0.36627%0.266SS..  trans-95.8158.8169.7-63.6161170.3-134.518.7108.1N322 D323 N324 A325 D404N322-R410 WeakPolarHBondContact ND2-CD 3.43Å; N322-R410 WeakPolarHBondContact ND2-CG 3.07Å; N322-R410 PolarHBondContact ND2-N 3.4Å; N322-R410 PolarHBondContact O-NE 2.9Å; N322-R410 PolarHBondContact O-NH2 2.91Å; D323-R410 VanDerWaalsContact C-NH1 3.27Å; D323-R410 VanDerWaalsContact C-NH2 3.28Å; D323-R410 PolarHBondContact O-NH1 3.43Å; D323-R410 PolarHBondContact O-NH2 3.04Å; N324-R410 WeakPolarHBondContact O-CD 3.46Å; A325-R410 HydrophobicContact CB-CB 3.7Å; D404-R410 PolarHBondContact N-O 2.69Å; D404-R410 WeakPolarHBondContact OD2-CA 3.19Å; D404-R410 WeakPolarHBondContact OD2-CB 3.32Å; D404-R410 PolarHBondContact OD2-N 3.42Å
411H91.2Very high89.4Confident114 Ų11454.3 Ų54.353%0.52829%0.286SS..EExtended strand (participates in β ladder)trans-161.9157.6-167.954.7-88.1000113.2V401 A402 T403V401-H411 HydrophobicContact CG1-CB 3.69Å; A402-H411 CarbonylContact O-C 3.54Å; A402-H411 WeakPolarHBondContact O-CA 3.47Å; A402-H411 VanDerWaalsContact O-CB 3.31Å; A402-H411 WeakPolarHBondContact O-CB 3.46Å; T403-H411 HydrophobicContact CG2-CB 4.42Å
412S93.3Very high89Confident31 Ų3157 Ų5722%0.21730%0.3CS..EExtended strand (participates in β ladder)trans-122.9164.6162.259.50000110.9P326 F328 V401 A402P326-S412 WeakPolarHBondContact O-CB 3.41Å; P326-S412 PolarHBondContact O-OG 2.85Å; F328-S412 WeakPolarHBondContact CD2-OG 3.48Å; F328-S412 WeakPolarHBondContact CE2-O 3.31Å; V401-S412 WeakPolarHBondContact CA-O 3.12Å; V401-S412 WeakPolarHBondContact CG1-O 3.33Å; A402-S412 PolarHBondContact N-O 3.02Å; A402-S412 PolarHBondContact O-N 3.3Å
413T92.3Very high88.5Confident89 Ų8960.1 Ų60.155%0.54632%0.316SS..EExtended strand (participates in β ladder)trans-134151.8-171.263.40000112.9V400 V401V400-T413 CarbonylContact O-C 3.58Å; V400-T413 WeakPolarHBondContact O-CA 3.39Å; V401-T413 HydrophobicContact CG1-CG2 4.27Å; V401-T413 HydrophobicContact CG2-CG2 4.08Å
414L92.8Very high88Confident18 Ų1862.3 Ų62.39%0.09433%0.327CS..EExtended strand (participates in β ladder)trans-146.2130.9-179.6176.964.3000110.3F328 L332 V350 V399 V400F328-L414 HydrophobicContact CD1-CD2 4.35Å; F328-L414 HydrophobicContact CD2-CB 4.09Å; F328-L414 HydrophobicContact CE2-CB 3.99Å; F328-L414 HydrophobicContact CG-CB 4.41Å; F328-L414 HydrophobicContact CZ-CB 4.25Å; L332-L414 HydrophobicContact CB-CD2 4.34Å; L332-L414 HydrophobicContact CD1-CD2 3.73Å; V350-L414 HydrophobicContact CG1-CD2 4Å; V399-L414 CarbonylContact C-O 3.59Å; V399-L414 WeakPolarHBondContact CA-O 3.29Å; V400-L414 PolarHBondContact N-O 3.02Å; V400-L414 PolarHBondContact O-N 3.01Å
415T92.3Very high87.6Confident61 Ų6163.8 Ų63.837%0.37434%0.335SS..EExtended strand (participates in β ladder)trans-107.7137.3-178.1-44.40000112.8E397 V399E397-T415 HydrophobicContact CB-CG2 4.4Å; V399-T415 HydrophobicContact CG2-CG2 4.11Å
416L92.7Very high87.6Confident8 Ų864.9 Ų64.94%0.04234%0.335CS..EExtended strand (participates in β ladder)trans-121.5162.7177.6-47.9174.5000109.9P333 R334 L336 I382 E397 L398 V400P333-L416 WeakPolarHBondContact O-CD2 3.49Å; R334-L416 HydrophobicContact CB-CD2 4.42Å; R334-L416 HydrophobicContact CG-CD2 4.34Å; R334-L416 CarbonylContact O-C 3.54Å; R334-L416 VanDerWaalsContact O-CA 3.31Å; R334-L416 WeakPolarHBondContact O-CA 3.43Å; L336-L416 HydrophobicContact CD1-CB 4.5Å; L336-L416 HydrophobicContact CD1-CD1 4.21Å; I382-L416 HydrophobicContact CD1-CD1 3.45Å; I382-L416 VanDerWaalsContact CD1-CD1 3.45Å; E397-L416 CarbonylContact C-O 3.47Å; E397-L416 VanDerWaalsContact C-O 3.28Å; E397-L416 VanDerWaalsContact CA-O 3.29Å; E397-L416 WeakPolarHBondContact CA-O 3.47Å; L398-L416 HydrophobicContact CB-CB 4.44Å; L398-L416 PolarHBondContact N-O 3.31Å; L398-L416 PolarHBondContact O-N 3.21Å; V400-L416 HydrophobicContact CG2-CD1 3.78Å; V400-L416 HydrophobicContact CG2-CG 4.27Å
417Y93.2Very high87.7Confident95 Ų9565.9 Ų65.937%0.37334%0.341SS..EExtended strand (participates in β ladder)trans-125.8132178.2-175.4-81.7000110.5R334 L336 H395 Y396 E397R334-Y417 PolarHBondContact O-N 2.67Å; L336-Y417 PolarHBondContact N-O 2.96Å; H395-Y417 AromaticContact CD2-CE2 3.96Å; Y396-Y417 CarbonylContact O-C 3.59Å; E397-Y417 HydrophobicContact CG-CD2 4.07Å
418I92.8Very high88.4Confident0 Ų060 Ų600%031%0.305CS..EExtended strand (participates in β ladder)trans-131.5136.8-173.4-50.4170000109.7L336 V338 V347 F374 H395 Y396 L398L336-I418 HydrophobicContact CB-CG1 4.36Å; L336-I418 WeakPolarHBondContact O-CA 3.27Å; V338-I418 HydrophobicContact CG1-CG2 3.96Å; V347-I418 HydrophobicContact CG1-CD1 3.95Å; V347-I418 HydrophobicContact CG1-CG1 4.16Å; V347-I418 HydrophobicContact CG1-CG2 4.27Å; F374-I418 HydrophobicContact CD1-CD1 4.05Å; F374-I418 HydrophobicContact CD2-CD1 4.28Å; F374-I418 HydrophobicContact CE1-CD1 3.67Å; F374-I418 HydrophobicContact CE1-CG2 4.13Å; F374-I418 HydrophobicContact CE2-CD1 3.93Å; F374-I418 HydrophobicContact CG-CD1 4.34Å; F374-I418 HydrophobicContact CZ-CB 4.4Å; F374-I418 HydrophobicContact CZ-CD1 3.61Å; F374-I418 HydrophobicContact CZ-CG2 3.98Å; H395-I418 CarbonylContact C-O 3.56Å; H395-I418 VanDerWaalsContact CA-O 3.24Å; H395-I418 WeakPolarHBondContact CA-O 3.4Å; H395-I418 WeakPolarHBondContact CB-O 3.35Å; Y396-I418 PolarHBondContact N-O 3.27Å; Y396-I418 PolarHBondContact O-N 2.81Å; L398-I418 HydrophobicContact CB-CD1 3.64Å; L398-I418 HydrophobicContact CB-CG1 4.4Å; L398-I418 HydrophobicContact CD2-CD1 3.7Å; L398-I418 HydrophobicContact CG-CD1 4.27Å
419K92.2Very high88.7Confident113 Ų11357.1 Ų57.149%0.49130%0.299SS..EExtended strand (participates in β ladder)trans-113.6143.9173.7-176.5178.6177.9-1730112.5L336 S337 V338L336-K419 PolarHBondContact O-N 2.93Å; S337-K419 WeakPolarHBondContact CA-O 3.49Å; V338-K419 PolarHBondContact N-O 3.44Å
420V91Very high89Confident3 Ų355 Ų552%0.01828%0.283CS..  trans-98.8160.7175.9-167.40000111.6V338 E340 L388 R390 D394 Y396V338-V420 CarbonylContact O-C 3.59Å; V338-V420 WeakPolarHBondContact O-CA 3.46Å; E340-V420 HydrophobicContact CB-CG1 3.75Å; L388-V420 HydrophobicContact CB-CG1 4.39Å; L388-V420 HydrophobicContact CD1-CG2 4.07Å; R390-V420 HydrophobicContact CB-CG1 3.96Å; R390-V420 HydrophobicContact CG-CB 4.34Å; R390-V420 HydrophobicContact CG-CG1 4.16Å; D394-V420 WeakPolarHBondContact O-CB 3.1Å; D394-V420 WeakPolarHBondContact O-CG2 3.14Å; D394-V420 PolarHBondContact O-N 2.71Å; Y396-V420 HydrophobicContact CD2-CG2 3.99Å; Y396-V420 HydrophobicContact CE2-CG2 3.5Å; Y396-V420 VanDerWaalsContact CE2-CG2 3.5Å
421L88.2Confident88.9Confident83 Ų8353.6 Ų53.644%0.43529%0.286SS..  trans-136.5144.1-179.4-58.2171.2000111.6V338 V339 E340V338-L421 PolarHBondContact O-N 3.2Å; V339-L421 HydrophobicContact CG2-CD1 4.36Å; E340-L421 WeakPolarHBondContact CB-O 3.25Å; E340-L421 WeakPolarHBondContact CG-O 3.34Å; E340-L421 PolarHBondContact N-O 2.61Å; E340-L421 VanDerWaalsContact N-O 3.14Å
422D85.7Confident88.8Confident74 Ų7452.3 Ų52.340%0.39628%0.283SS..  trans-73.5137.3-163.7-168.458000116.5E340 R390 L459E340-D422 WeakPolarHBondContact OE1-CA 3.15Å; R390-D422 IonicContact CZ-OD1 3.7Å; R390-D422 IonicContact NE-OD1 2.71Å; R390-D422 PolarHBondContact NE-OD1 3.48Å; R390-D422 IonicContact NH2-OD1 3.92Å; R390-D422 PolarHBondContact NH2-OD1 3.46Å; D422-L459 WeakPolarHBondContact OD2-CB 3.42Å
423I82.5Confident88.5Confident65 Ų6555.1 Ų55.133%0.33330%0.302SS..  trans-139.4145.8171.8-65.5179000111.1V339 E340 E341 D425V339-I423 HydrophobicContact CG1-CD1 3.94Å; E340-I423 HydrophobicContact CG-CB 3.92Å; E340-I423 HydrophobicContact CG-CD1 4.08Å; E340-I423 HydrophobicContact CG-CG1 3.97Å; E340-I423 PolarHBondContact OE1-N 2.86Å; E341-I423 HydrophobicContact CB-CD1 4.22Å; I423-D425 HydrophobicContact CG2-CB 4.28Å; I423-D425 PolarHBondContact O-N 2.9Å
424D82.3Confident88.4Confident69 Ų6955 Ų5537%0.36930%0.301SS..  trans-74.897.8171.4-176.376.2000109.4D458 T515D424-D458 WeakPolarHBondContact CA-OD2 3.46Å; D424-T515 VanDerWaalsContact OD2-CB 3.24Å; D424-T515 WeakPolarHBondContact OD2-CB 3.32Å; D424-T515 WeakPolarHBondContact OD2-CG2 3.45Å; D424-T515 PolarHBondContact OD2-OG1 2.76Å
425D81.9Confident88.4Confident37 Ų3754.8 Ų54.820%0.19830%0.3CS..  trans-139.3-5.5-166.3119-45.5000115.5E341 I423 D458 M516E341-D425 VanDerWaalsContact CD-OD2 3.31Å; E341-D425 HydrophobicContact CG-CB 4.38Å; E341-D425 VanDerWaalsContact CG-OD2 3.26Å; E341-D425 WeakPolarHBondContact CG-OD2 3.33Å; I423-D425 HydrophobicContact CG2-CB 4.28Å; I423-D425 PolarHBondContact O-N 2.9Å; D425-D458 PolarHBondContact N-OD2 2.96Å; D425-M516 WeakPolarHBondContact O-CE 3.36Å
426N81.7Confident88.3Confident48 Ų4856.3 Ų56.326%0.25731%0.309SS..  trans-109.9162.8178.8-70-81.3000114.5V457 D458 M516N426-V457 HydrophobicContact CB-CG2 3.53Å; N426-D458 WeakPolarHBondContact CB-OD1 3.32Å; N426-D458 PolarHBondContact N-OD2 3.42Å; N426-D458 PolarHBondContact ND2-OD1 2.9Å; N426-M516 VanDerWaalsContact O-CB 3.27Å; N426-M516 WeakPolarHBondContact O-CB 3.49Å; N426-M516 VanDerWaalsContact O-CG 3.25Å; N426-M516 WeakPolarHBondContact O-CG 3.36Å
427S84.1Confident88.2Confident34 Ų3457 Ų5724%0.23831%0.314CS..  trans-109.8147175-76.30000110.5V429 P517S427-V429 WeakPolarHBondContact O-CG2 3.27Å; S427-V429 PolarHBondContact O-N 2.76Å; S427-P517 VanDerWaalsContact CB-O 3.25Å; S427-P517 WeakPolarHBondContact CB-O 3.25Å; S427-P517 PolarHBondContact OG-O 2.96Å
428P89.2Confident88Confident1 Ų157 Ų571%0.00632%0.323CS..  trans-58.1122.4170.7-21.328.4000112.4D456 V463 A509 D511 G519P428-D456 HydrophobicContact CB-CB 4.42Å; P428-D456 WeakPolarHBondContact CD-OD2 3.5Å; P428-D456 HydrophobicContact CG-CB 4.36Å; P428-D456 WeakPolarHBondContact CG-OD2 3.21Å; P428-V463 HydrophobicContact CB-CG1 3.91Å; P428-V463 HydrophobicContact CB-CG2 4.04Å; P428-V463 HydrophobicContact CG-CG1 4.41Å; P428-V463 HydrophobicContact CG-CG2 4.34Å; P428-A509 HydrophobicContact CB-CB 4.14Å; P428-D511 HydrophobicContact CG-CB 4.01Å; P428-G519 WeakPolarHBondContact O-CA 3.02Å; P428-G519 PolarHBondContact O-N 2.91Å
429V88.1Confident87.8Confident99 Ų9957.2 Ų57.260%0.632%0.324SS*.EExtended strand (participates in β ladder)trans-105.6125.9-178.9-174.10000110.6S427 A454 K455S427-V429 WeakPolarHBondContact O-CG2 3.27Å; S427-V429 PolarHBondContact O-N 2.76Å; V429-A454 CarbonylContact O-C 3.52Å; V429-A454 WeakPolarHBondContact O-CA 3.24Å; V429-A454 WeakPolarHBondContact O-CB 3.35Å; V429-K455 PolarHBondContact N-O 3.11Å; V429-K455 PolarHBondContact O-N 2.83Å
430F91.5Very high87.4Confident15 Ų1556.2 Ų56.27%0.06632%0.321CS..EExtended strand (participates in β ladder)trans-65.5141.8172.1-76.9-78.2000111.7N432 Y435 I452 E453 A454 Y465 V507 A509 A521F430-N432 VanDerWaalsContact CB-O 3.3Å; F430-N432 WeakPolarHBondContact CB-O 3.22Å; F430-N432 PolarHBondContact O-N 3.42Å; F430-Y435 HydrophobicContact CD1-CE2 4.45Å; F430-I452 HydrophobicContact CE1-CB 4.33Å; F430-I452 HydrophobicContact CE1-CD1 3.66Å; F430-I452 HydrophobicContact CE1-CG1 4.05Å; F430-I452 HydrophobicContact CZ-CD1 4.23Å; F430-E453 CarbonylContact C-O 3.57Å; F430-E453 VanDerWaalsContact CA-O 3.31Å; F430-E453 WeakPolarHBondContact CA-O 3.49Å; F430-E453 WeakPolarHBondContact CD1-O 3.28Å; F430-A454 HydrophobicContact CB-CB 4.45Å; F430-A454 HydrophobicContact CD1-CB 3.74Å; F430-A454 HydrophobicContact CE1-CB 4.1Å; F430-A454 HydrophobicContact CG-CB 4.01Å; F430-Y465 HydrophobicContact CD1-CE1 4.49Å; F430-Y465 AromaticContact CE1-CD1 3.76Å; F430-Y465 HydrophobicContact CE1-CD1 3.76Å; F430-Y465 AromaticContact CE1-CE1 3.76Å; F430-Y465 HydrophobicContact CE1-CE1 3.76Å; F430-Y465 HydrophobicContact CZ-CD1 4.07Å; F430-Y465 HydrophobicContact CZ-CE1 4.4Å; F430-V507 HydrophobicContact CE1-CG2 4.25Å; F430-V507 HydrophobicContact CE2-CG2 4.31Å; F430-V507 HydrophobicContact CZ-CB 4.39Å; F430-V507 HydrophobicContact CZ-CG2 3.87Å; F430-A509 HydrophobicContact CD2-CB 4.38Å; F430-A509 HydrophobicContact CE1-CB 4.16Å; F430-A509 HydrophobicContact CE2-CB 3.71Å; F430-A509 HydrophobicContact CZ-CB 3.58Å; F430-A521 HydrophobicContact CB-CB 3.96Å; F430-A521 HydrophobicContact CD1-CB 4.29Å; F430-A521 HydrophobicContact CD2-CB 3.5Å; F430-A521 HydrophobicContact CE2-CB 3.98Å; F430-A521 HydrophobicContact CG-CB 3.67Å
431T88Confident87Confident69 Ų6956.6 Ų56.642%0.42332%0.323SS..SBendtrans-62.4-28.6-179.9520000113.2Y435 E453T431-Y435 PolarHBondContact OG1-OH 2.82Å; T431-Y435 VanDerWaalsContact OG1-OH 3.1Å; T431-E453 HydrophobicContact CG2-CB 3.75Å; T431-E453 PolarHBondContact N-O 2.9Å; T431-E453 PolarHBondContact OG1-O 3.05Å
432N88.4Confident86.7Confident87 Ų8757.2 Ų57.247%0.46533%0.327SS..  trans-127.6140.7165.2-59-59000109.1F430 T434 Y435F430-N432 VanDerWaalsContact CB-O 3.3Å; F430-N432 WeakPolarHBondContact CB-O 3.22Å; F430-N432 PolarHBondContact O-N 3.42Å; N432-T434 VanDerWaalsContact C-N 3.31Å; N432-Y435 HydrophobicContact CB-CD1 4.32Å; N432-Y435 HydrophobicContact CB-CD2 4.47Å; N432-Y435 HydrophobicContact CB-CE1 4.02Å; N432-Y435 HydrophobicContact CB-CE2 4.15Å; N432-Y435 WeakPolarHBondContact ND2-CE1 3.42Å; N432-Y435 VanDerWaalsContact O-CE2 3.25Å; N432-Y435 WeakPolarHBondContact O-CE2 3.48Å
433S87.1Confident86.6Confident89 Ų8956.2 Ų56.262%0.62232%0.321SS*.SBendtrans-72.9-26.4171.851.10000113A521 T522S433-A521 VanDerWaalsContact O-CA 3.31Å; S433-A521 WeakPolarHBondContact O-CA 3.36Å; S433-A521 WeakPolarHBondContact O-CB 3.26Å; S433-T522 PolarHBondContact O-N 3.4Å; S433-T522 PolarHBondContact O-OG1 3.39Å
434T90.4Very high86.8Confident86 Ų8657 Ų5753%0.52833%0.331SS..EExtended strand (participates in β ladder)trans-132.9124.7-177.951.50000109N432 T522N432-T434 VanDerWaalsContact C-N 3.31Å; T434-T522 WeakPolarHBondContact CA-OG1 2.8Å; T434-T522 VanDerWaalsContact CG2-OG1 3.3Å; T434-T522 WeakPolarHBondContact CG2-OG1 3.22Å
435Y92.2Very high87Confident15 Ų1556.6 Ų56.66%0.05934%0.336CS..EExtended strand (participates in β ladder)trans-109.5129.3168.5-61.7-96.2000109.2F430 T431 N432 L450 I452 E453 A521 T522 V523 T524F430-Y435 HydrophobicContact CD1-CE2 4.45Å; T431-Y435 PolarHBondContact OG1-OH 2.82Å; T431-Y435 VanDerWaalsContact OG1-OH 3.1Å; N432-Y435 HydrophobicContact CB-CD1 4.32Å; N432-Y435 HydrophobicContact CB-CD2 4.47Å; N432-Y435 HydrophobicContact CB-CE1 4.02Å; N432-Y435 HydrophobicContact CB-CE2 4.15Å; N432-Y435 WeakPolarHBondContact ND2-CE1 3.42Å; N432-Y435 VanDerWaalsContact O-CE2 3.25Å; N432-Y435 WeakPolarHBondContact O-CE2 3.48Å; Y435-L450 HydrophobicContact CD1-CD1 4Å; Y435-L450 HydrophobicContact CD1-CD2 4.36Å; Y435-L450 HydrophobicContact CG-CD2 4.16Å; Y435-I452 HydrophobicContact CD1-CG2 4.41Å; Y435-I452 HydrophobicContact CD2-CG2 4.16Å; Y435-I452 HydrophobicContact CE1-CB 4.46Å; Y435-I452 HydrophobicContact CE1-CG2 4.22Å; Y435-I452 HydrophobicContact CE2-CB 4.21Å; Y435-I452 HydrophobicContact CE2-CG2 3.98Å; Y435-I452 HydrophobicContact CG-CG2 4.36Å; Y435-E453 PolarHBondContact OH-N 3.07Å; Y435-E453 PolarHBondContact OH-O 2.96Å; Y435-A521 HydrophobicContact CD2-CB 4.35Å; Y435-A521 HydrophobicContact CE2-CB 4.07Å; Y435-T522 PolarHBondContact N-O 3.26Å; Y435-V523 HydrophobicContact CD2-CG2 4.39Å; Y435-V523 CarbonylContact O-C 3.59Å; Y435-V523 WeakPolarHBondContact O-CA 3.45Å; Y435-T524 PolarHBondContact O-N 2.95Å
436T90.7Very high87.2Confident93 Ų9357.6 Ų57.657%0.57136%0.356SS*.EExtended strand (participates in β ladder)trans-121.2128174.1-51.70000108.8T524 I526T436-T524 WeakPolarHBondContact CA-O 3.48Å; T436-T524 HydrophobicContact CG2-CG2 4.48Å; T436-I526 HydrophobicContact CG2-CD1 3.65Å; T436-I526 HydrophobicContact CG2-CG1 4.18Å
437V90.9Very high87.6Confident23 Ų2357.3 Ų57.314%0.13936%0.356CS..EExtended strand (participates in β ladder)trans-138.5137.6-176.961.80000109.9V439 F449 T524 V525 I526V437-V439 HydrophobicContact CG1-CG2 4.34Å; V437-V439 HydrophobicContact CG2-CG2 4.31Å; V437-F449 HydrophobicContact CG1-CD2 3.76Å; V437-F449 HydrophobicContact CG1-CE2 3.81Å; V437-F449 HydrophobicContact CG2-CD2 4.14Å; V437-T524 PolarHBondContact N-O 2.78Å; V437-V525 HydrophobicContact CG1-CB 4.49Å; V437-V525 HydrophobicContact CG1-CG2 3.96Å; V437-I526 PolarHBondContact O-N 3.44Å
438V88.7Confident87.9Confident95 Ų9558.6 Ų58.658%0.57637%0.365SS*.EExtended strand (participates in β ladder)trans-94.7127.2174.2-177.40000108I526 K528V438-I526 CarbonylContact C-O 3.56Å; V438-I526 WeakPolarHBondContact CA-O 3.04Å; V438-I526 HydrophobicContact CG2-CB 4.41Å; V438-K528 HydrophobicContact CG1-CB 3.75Å
439V88.6Confident88Confident3 Ų360.5 Ų60.52%0.01837%0.373CS..EExtended strand (participates in β ladder)trans-123.7121.7-178.1175.80000107.6V437 L443 F449 L487 L491 V525 I526 V527 K528V437-V439 HydrophobicContact CG1-CG2 4.34Å; V437-V439 HydrophobicContact CG2-CG2 4.31Å; V439-L443 HydrophobicContact CG1-CD1 3.85Å; V439-F449 HydrophobicContact CG2-CB 4.18Å; V439-F449 HydrophobicContact CG2-CD2 3.71Å; V439-F449 HydrophobicContact CG2-CE2 4.2Å; V439-F449 HydrophobicContact CG2-CG 3.89Å; V439-L487 HydrophobicContact CG1-CD1 4.33Å; V439-L491 HydrophobicContact CG1-CD1 4.19Å; V439-V525 HydrophobicContact CB-CG1 3.93Å; V439-V525 HydrophobicContact CG2-CG1 3.64Å; V439-I526 PolarHBondContact N-O 2.86Å; V439-V527 CarbonylContact O-C 3.57Å; V439-V527 WeakPolarHBondContact O-CA 3.08Å; V439-K528 PolarHBondContact O-N 3.11Å
440E85Confident88.2Confident93 Ų9357.3 Ų57.344%0.43535%0.353SS..EExtended strand (participates in β ladder)trans-63.4135.5173.4-74.9168.1164.500109.7L443 K528 M530E440-L443 HydrophobicContact CB-CD1 4.07Å; E440-L443 HydrophobicContact CB-CG 4.15Å; E440-L443 WeakPolarHBondContact O-CB 3.19Å; E440-L443 VanDerWaalsContact O-CD1 3.31Å; E440-L443 WeakPolarHBondContact O-CD1 3.41Å; E440-L443 VanDerWaalsContact O-CG 3.3Å; E440-L443 WeakPolarHBondContact O-CG 3.5Å; E440-K528 HydrophobicContact CG-CB 4.4Å; E440-K528 HydrophobicContact CG-CD 3.83Å; E440-K528 HydrophobicContact CG-CG 4.39Å; E440-K528 IonicContact OE1-NZ 2.65Å; E440-K528 PolarHBondContact OE1-NZ 3.02Å; E440-M530 HydrophobicContact CG-SD 4.19Å
441E81.7Confident88.2Confident10 Ų1061.1 Ų61.15%0.04737%0.37CS..THydrogen-bonded Turntrans-67171.8173.173.4-179.4119.200112L443 Y493 V527 K528 D529 M530E441-L443 PolarHBondContact O-N 2.84Å; E441-Y493 VanDerWaalsContact CD-CB 3.48Å; E441-Y493 VanDerWaalsContact OE1-CB 3.23Å; E441-Y493 WeakPolarHBondContact OE1-CB 3.43Å; E441-Y493 VanDerWaalsContact OE2-CB 3.31Å; E441-Y493 WeakPolarHBondContact OE2-CB 3.47Å; E441-Y493 PolarHBondContact OE2-N 2.82Å; E441-V527 HydrophobicContact CB-CG1 3.79Å; E441-K528 PolarHBondContact N-O 2.95Å; E441-D529 VanDerWaalsContact OE1-CA 3.3Å; E441-D529 WeakPolarHBondContact OE1-CA 3.37Å; E441-M530 HydrophobicContact CG-CB 3.98Å; E441-M530 HydrophobicContact CG-CG 4.11Å; E441-M530 PolarHBondContact OE1-N 2.99Å
442N82.2Confident88.4Confident97 Ų9757.9 Ų57.952%0.51935%0.35SS..THydrogen-bonded Turntrans57.12.6-175.1-72.7-65.7000115.2L491N442-L491 PolarHBondContact N-O 3.41Å
443L84Confident88.5Confident52 Ų5258.2 Ų58.227%0.27235%0.349SS..PPolyproline II helixtrans-55.7136.4173.4-90.5176.1000111.4V439 E440 E441 L487 S490V439-L443 HydrophobicContact CG1-CD1 3.85Å; E440-L443 HydrophobicContact CB-CD1 4.07Å; E440-L443 HydrophobicContact CB-CG 4.15Å; E440-L443 WeakPolarHBondContact O-CB 3.19Å; E440-L443 VanDerWaalsContact O-CD1 3.31Å; E440-L443 WeakPolarHBondContact O-CD1 3.41Å; E440-L443 VanDerWaalsContact O-CG 3.3Å; E440-L443 WeakPolarHBondContact O-CG 3.5Å; E441-L443 PolarHBondContact O-N 2.84Å; L443-L487 HydrophobicContact CB-CD1 3.82Å; L443-S490 WeakPolarHBondContact O-CA 3.15Å; L443-S490 VanDerWaalsContact O-CB 3.23Å; L443-S490 WeakPolarHBondContact O-CB 3.03Å; L443-S490 PolarHBondContact O-OG 2.74Å
444P86.2Confident88.6Confident83 Ų8354.3 Ų54.354%0.53932%0.323SS..PPolyproline II helixtrans-61.5143-179-2635.1000113.7T447P444-T447 HydrophobicContact CB-CG2 4.47Å; P444-T447 WeakPolarHBondContact O-CB 3.42Å; P444-T447 VanDerWaalsContact O-CG2 3.29Å; P444-T447 WeakPolarHBondContact O-CG2 3.28Å; P444-T447 PolarHBondContact O-N 3.28Å; P444-T447 PolarHBondContact O-OG1 3.36Å
445A85.9Confident88.5Confident59 Ų5956.5 Ų56.549%0.48833%0.325SS..THydrogen-bonded Turntrans-57.8141.6167.500000111.2L488A445-L488 WeakPolarHBondContact CB-O 3.36Å
446G87.6Confident88.2Confident59 Ų5957.2 Ų57.261%0.60833%0.33SS*.THydrogen-bonded Turntrans90.91-171.800000114.6L487G446-L487 PolarHBondContact N-O 3.17Å
447T89.6Confident87.9Confident42 Ų4257 Ų5726%0.25833%0.328SS..  trans-78122.3173.245.90000111.3P444 S486 L487P444-T447 HydrophobicContact CB-CG2 4.47Å; P444-T447 WeakPolarHBondContact O-CB 3.42Å; P444-T447 VanDerWaalsContact O-CG2 3.29Å; P444-T447 WeakPolarHBondContact O-CG2 3.28Å; P444-T447 PolarHBondContact O-N 3.28Å; P444-T447 PolarHBondContact O-OG1 3.36Å; T447-S486 CarbonylContact O-C 3.53Å; T447-S486 WeakPolarHBondContact O-CA 3.13Å; T447-S486 WeakPolarHBondContact O-CB 3.32Å; T447-L487 PolarHBondContact O-N 3.04Å; T447-L487 WeakPolarHBondContact OG1-CD1 3.05Å
448S90.3Very high87.6Confident60 Ų6056.5 Ų56.542%0.4233%0.325SS..EExtended strand (participates in β ladder)trans-83.7131.2171.8-55.20000110.3E484 L485S448-E484 VanDerWaalsContact CB-OE1 3.23Å; S448-E484 WeakPolarHBondContact CB-OE1 3.38Å; S448-E484 PolarHBondContact OG-OE1 3.49Å; S448-L485 WeakPolarHBondContact CA-O 3.42Å
449F90.9Very high87.1Confident42 Ų4258.3 Ų58.318%0.18433%0.33CS..EExtended strand (participates in β ladder)trans-131.1-13-171.762.3-95000114.5V437 V439 F476 L485 L487 V525V437-F449 HydrophobicContact CG1-CD2 3.76Å; V437-F449 HydrophobicContact CG1-CE2 3.81Å; V437-F449 HydrophobicContact CG2-CD2 4.14Å; V439-F449 HydrophobicContact CG2-CB 4.18Å; V439-F449 HydrophobicContact CG2-CD2 3.71Å; V439-F449 HydrophobicContact CG2-CE2 4.2Å; V439-F449 HydrophobicContact CG2-CG 3.89Å; F449-F476 AromaticContact CE1-CD1 3.76Å; F449-F476 HydrophobicContact CE1-CD1 3.76Å; F449-F476 AromaticContact CE1-CE1 4Å; F449-F476 HydrophobicContact CE1-CE1 4Å; F449-F476 AromaticContact CZ-CD1 3.57Å; F449-F476 HydrophobicContact CZ-CD1 3.57Å; F449-F476 AromaticContact CZ-CE1 3.65Å; F449-F476 HydrophobicContact CZ-CE1 3.65Å; F449-F476 HydrophobicContact CZ-CG 4.38Å; F449-L485 HydrophobicContact CE1-CG 4.28Å; F449-L485 HydrophobicContact CE2-CD2 3.54Å; F449-L485 HydrophobicContact CE2-CG 4.12Å; F449-L485 HydrophobicContact CZ-CD2 3.53Å; F449-L485 HydrophobicContact CZ-CG 3.72Å; F449-L485 PolarHBondContact N-O 2.87Å; F449-L487 HydrophobicContact CD1-CD2 4.26Å; F449-L487 HydrophobicContact CD1-CG 4.13Å; F449-L487 HydrophobicContact CE1-CD2 3.8Å; F449-L487 HydrophobicContact CE1-CG 4.09Å; F449-V525 HydrophobicContact CE2-CG2 3.72Å; F449-V525 HydrophobicContact CZ-CG2 4.04Å
450L91.9Very high86.4Confident32 Ų3260.7 Ų60.717%0.16836%0.355CS..EExtended strand (participates in β ladder)trans-146.7144.6177.4178.466000111Y435 I452 L485 V523Y435-L450 HydrophobicContact CD1-CD1 4Å; Y435-L450 HydrophobicContact CD1-CD2 4.36Å; Y435-L450 HydrophobicContact CG-CD2 4.16Å; L450-I452 HydrophobicContact CD2-CG2 3.97Å; L450-I452 HydrophobicContact CG-CG2 4.15Å; L450-L485 HydrophobicContact CB-CB 4.23Å; L450-L485 HydrophobicContact CB-CD2 4.17Å; L450-L485 HydrophobicContact CD2-CD2 3.99Å; L450-L485 PolarHBondContact N-O 2.83Å; L450-L485 WeakPolarHBondContact O-CB 3.48Å; L450-L485 PolarHBondContact O-N 3.14Å; L450-V523 HydrophobicContact CD2-CG1 3.73Å; L450-V523 HydrophobicContact CD2-CG2 4.28Å
451Q91.8Very high85.6Confident94 Ų9457.7 Ų57.744%0.43935%0.346SS..EExtended strand (participates in β ladder)trans-112.5127.3167.9-166.877.25.400108.3T482Q451-T482 PolarHBondContact NE2-O 3.31Å
452I92.4Very high85.5Confident1 Ų162.2 Ų62.21%0.00537%0.371CS..  trans-106.5139.4171.672.4-178.7000110F430 Y435 L450 Y465 L478 G483 V507F430-I452 HydrophobicContact CE1-CB 4.33Å; F430-I452 HydrophobicContact CE1-CD1 3.66Å; F430-I452 HydrophobicContact CE1-CG1 4.05Å; F430-I452 HydrophobicContact CZ-CD1 4.23Å; Y435-I452 HydrophobicContact CD1-CG2 4.41Å; Y435-I452 HydrophobicContact CD2-CG2 4.16Å; Y435-I452 HydrophobicContact CE1-CB 4.46Å; Y435-I452 HydrophobicContact CE1-CG2 4.22Å; Y435-I452 HydrophobicContact CE2-CB 4.21Å; Y435-I452 HydrophobicContact CE2-CG2 3.98Å; Y435-I452 HydrophobicContact CG-CG2 4.36Å; L450-I452 HydrophobicContact CD2-CG2 3.97Å; L450-I452 HydrophobicContact CG-CG2 4.15Å; I452-Y465 HydrophobicContact CD1-CD1 4.18Å; I452-Y465 HydrophobicContact CG1-CD1 4.31Å; I452-Y465 HydrophobicContact CG1-CE1 4.5Å; I452-L478 HydrophobicContact CD1-CD1 3.72Å; I452-L478 HydrophobicContact CD1-CD2 3.85Å; I452-L478 HydrophobicContact CD1-CG 4.42Å; I452-L478 HydrophobicContact CG1-CD1 4.09Å; I452-G483 PolarHBondContact N-O 2.58Å; I452-G483 WeakPolarHBondContact O-CA 3.36Å; I452-V507 HydrophobicContact CD1-CB 4.07Å; I452-V507 HydrophobicContact CD1-CG1 4.31Å; I452-V507 HydrophobicContact CD1-CG2 3.86Å
453E91.1Very high85.7Confident94 Ų9459.1 Ų59.144%0.43936%0.356SS..  trans-123.9144.7174-72.7-173-164.700110.3F430 T431 Y435 K455F430-E453 CarbonylContact C-O 3.57Å; F430-E453 VanDerWaalsContact CA-O 3.31Å; F430-E453 WeakPolarHBondContact CA-O 3.49Å; F430-E453 WeakPolarHBondContact CD1-O 3.28Å; T431-E453 HydrophobicContact CG2-CB 3.75Å; T431-E453 PolarHBondContact N-O 2.9Å; T431-E453 PolarHBondContact OG1-O 3.05Å; Y435-E453 PolarHBondContact OH-N 3.07Å; Y435-E453 PolarHBondContact OH-O 2.96Å; E453-K455 IonicContact OE2-NZ 2.71Å
454A89.6Confident86Confident8 Ų858.5 Ų58.57%0.06636%0.356CS..EExtended strand (participates in β ladder)trans-138.8149.6167.800000109.6V429 F430 V463 Y465 A509V429-A454 CarbonylContact O-C 3.52Å; V429-A454 WeakPolarHBondContact O-CA 3.24Å; V429-A454 WeakPolarHBondContact O-CB 3.35Å; F430-A454 HydrophobicContact CB-CB 4.45Å; F430-A454 HydrophobicContact CD1-CB 3.74Å; F430-A454 HydrophobicContact CE1-CB 4.1Å; F430-A454 HydrophobicContact CG-CB 4.01Å; A454-V463 HydrophobicContact CB-CG1 4.12Å; A454-Y465 HydrophobicContact CB-CE1 3.76Å; A454-Y465 PolarHBondContact N-OH 3.38Å; A454-Y465 PolarHBondContact O-OH 2.73Å; A454-A509 HydrophobicContact CB-CB 3.8Å
455K86.3Confident86.3Confident131 Ų13155.8 Ų55.857%0.5734%0.335SS*.EExtended strand (participates in β ladder)trans-132.2143.8-177.3-67.4176.6-176.1167.50109.6V429 E453V429-K455 PolarHBondContact N-O 3.11Å; V429-K455 PolarHBondContact O-N 2.83Å; E453-K455 IonicContact OE2-NZ 2.71Å
456D86.8Confident86.6Confident30 Ų3059 Ų5916%0.1633%0.334CS..  trans-113.3150.5173.1-159.4-29.4000107.4P428 D458 A461 V463P428-D456 HydrophobicContact CB-CB 4.42Å; P428-D456 WeakPolarHBondContact CD-OD2 3.5Å; P428-D456 HydrophobicContact CG-CB 4.36Å; P428-D456 WeakPolarHBondContact CG-OD2 3.21Å; D456-D458 PolarHBondContact OD1-N 3.23Å; D456-A461 HydrophobicContact CB-CB 3.56Å; D456-A461 VanDerWaalsContact CG-CB 3.42Å; D456-A461 WeakPolarHBondContact OD2-CB 3.41Å; D456-V463 HydrophobicContact CB-CG2 4.03Å
457V84.7Confident86.9Confident89 Ų8956.9 Ų56.954%0.53931%0.309SS..  trans-106.8-15.9-171-71.10000113.4E391 N426E391-V457 HydrophobicContact CG-CB 3.99Å; E391-V457 HydrophobicContact CG-CG2 3.93Å; N426-V457 HydrophobicContact CB-CG2 3.53Å
458D84Confident87Confident13 Ų1360.7 Ų60.77%0.0732%0.319CS..SBendtrans-73.5159.7-177.8-66.1-3000112.1D424 D425 N426 D456 G460 A461D424-D458 WeakPolarHBondContact CA-OD2 3.46Å; D425-D458 PolarHBondContact N-OD2 2.96Å; N426-D458 WeakPolarHBondContact CB-OD1 3.32Å; N426-D458 PolarHBondContact N-OD2 3.42Å; N426-D458 PolarHBondContact ND2-OD1 2.9Å; D456-D458 PolarHBondContact OD1-N 3.23Å; D458-G460 VanDerWaalsContact C-N 3.31Å; D458-G460 PolarHBondContact O-N 2.88Å; D458-A461 PolarHBondContact O-N 3.36Å
459L78.8Confident87Confident132 Ų13258.5 Ų58.569%0.69130%0.303SS*.THydrogen-bonded Turntrans-75.670.8-163.4-162.470.9000114.6D422D422-L459 WeakPolarHBondContact OD2-CB 3.42Å
460G73.9Confident86.8Confident53 Ų5361 Ų6155%0.54632%0.323SS..THydrogen-bonded Turntrans129.611172.500000115.5D458D458-G460 VanDerWaalsContact C-N 3.31Å; D458-G460 PolarHBondContact O-N 2.88Å
461A68.1Low86.5Confident30 Ų3064.8 Ų64.825%0.24834%0.34CS..  trans-62.6142.5-179.500000113.2D456 D458D456-A461 HydrophobicContact CB-CB 3.56Å; D456-A461 VanDerWaalsContact CG-CB 3.42Å; D456-A461 WeakPolarHBondContact OD2-CB 3.41Å; D458-A461 PolarHBondContact O-N 3.36Å
462N80.4Confident86.4Confident105 Ų10560.6 Ų60.656%0.56132%0.321SS*.  trans-124.4131174.3-80.5-72.1000109.1D511 I512N462-D511 CarbonylContact O-C 3.56Å; N462-I512 HydrophobicContact CB-CB 4.39Å; N462-I512 HydrophobicContact CB-CD1 4.22Å; N462-I512 PolarHBondContact O-N 2.78Å
463V86.2Confident86.2Confident32 Ų3265.4 Ų65.419%0.19434%0.342CS..  trans-100.9143.9-170.2-171.80000112.3P428 A454 D456 Y465 A509 F510P428-V463 HydrophobicContact CB-CG1 3.91Å; P428-V463 HydrophobicContact CB-CG2 4.04Å; P428-V463 HydrophobicContact CG-CG1 4.41Å; P428-V463 HydrophobicContact CG-CG2 4.34Å; A454-V463 HydrophobicContact CB-CG1 4.12Å; D456-V463 HydrophobicContact CB-CG2 4.03Å; V463-Y465 HydrophobicContact CG1-CE1 4.15Å; V463-A509 HydrophobicContact CG1-CB 3.84Å; V463-F510 CarbonylContact C-O 3.56Å; V463-F510 VanDerWaalsContact CA-O 3.26Å; V463-F510 WeakPolarHBondContact CA-O 3.19Å
464S90.3Very high86.1Confident40 Ų4066.2 Ų66.228%0.2835%0.346SS..EExtended strand (participates in β ladder)trans-135.7145.7175.264.90000113.3P480 A509 F510S464-P480 CarbonylContact C-O 3.56Å; S464-P480 WeakPolarHBondContact CA-O 3.41Å; S464-A509 CarbonylContact O-C 3.52Å; S464-A509 WeakPolarHBondContact O-CA 3.39Å; S464-F510 PolarHBondContact N-O 3.38Å; S464-F510 PolarHBondContact O-N 2.63Å
465Y92.6Very high86.1Confident25 Ų2567 Ų6710%0.09835%0.349CS..EExtended strand (participates in β ladder)trans-112.2148.5-168-54-72.5000114.6F430 I452 A454 V463 P480 E508 A509F430-Y465 HydrophobicContact CD1-CE1 4.49Å; F430-Y465 AromaticContact CE1-CD1 3.76Å; F430-Y465 HydrophobicContact CE1-CD1 3.76Å; F430-Y465 AromaticContact CE1-CE1 3.76Å; F430-Y465 HydrophobicContact CE1-CE1 3.76Å; F430-Y465 HydrophobicContact CZ-CD1 4.07Å; F430-Y465 HydrophobicContact CZ-CE1 4.4Å; I452-Y465 HydrophobicContact CD1-CD1 4.18Å; I452-Y465 HydrophobicContact CG1-CD1 4.31Å; I452-Y465 HydrophobicContact CG1-CE1 4.5Å; A454-Y465 HydrophobicContact CB-CE1 3.76Å; A454-Y465 PolarHBondContact N-OH 3.38Å; A454-Y465 PolarHBondContact O-OH 2.73Å; V463-Y465 HydrophobicContact CG1-CE1 4.15Å; Y465-P480 PolarHBondContact N-O 2.96Å; Y465-P480 WeakPolarHBondContact O-CB 3.48Å; Y465-E508 CarbonylContact C-O 3.58Å; Y465-E508 WeakPolarHBondContact CA-O 3.48Å; Y465-A509 HydrophobicContact CD1-CB 4.09Å; Y465-A509 HydrophobicContact CE1-CB 4.17Å
466R91.9Very high86.5Confident127 Ų12761 Ų6148%0.47932%0.322SS..EExtended strand (participates in β ladder)trans-149.4152.6168.771.4-171.9-162.3-163.73.3113.7V507 E508 F510R466-V507 CarbonylContact O-C 3.57Å; R466-V507 WeakPolarHBondContact O-CA 3.25Å; R466-E508 HydrophobicContact CG-CB 4Å; R466-E508 IonicContact CZ-OE2 3.84Å; R466-E508 PolarHBondContact N-O 3.14Å; R466-E508 IonicContact NE-OE2 2.68Å; R466-E508 PolarHBondContact NE-OE2 3.16Å; R466-E508 IonicContact NH2-OE2 3.73Å; R466-E508 PolarHBondContact NH2-OE2 2.77Å; R466-E508 PolarHBondContact O-N 2.55Å; R466-F510 HydrophobicContact CG-CE2 3.88Å; R466-F510 VanDerWaalsContact CZ-CE2 3.41Å; R466-F510 VanDerWaalsContact NE-CE2 3.27Å; R466-F510 VanDerWaalsContact NH1-CZ 3.28Å; R466-F510 VanDerWaalsContact NH2-CZ 3.29Å
467I94Very high86.8Confident15 Ų1561.4 Ų61.48%0.07733%0.33CS..EExtended strand (participates in β ladder)trans-78.6127.7166.3-60.4173.9000108.6S469 V472 K473 F476 L478 L485 F505 V507I467-S469 WeakPolarHBondContact CG2-O 3.32Å; I467-V472 HydrophobicContact CG2-CG2 3.78Å; I467-K473 HydrophobicContact CG2-CG 4.16Å; I467-K473 WeakPolarHBondContact O-CE 3.43Å; I467-K473 PolarHBondContact O-NZ 3.15Å; I467-F476 HydrophobicContact CD1-CB 4.29Å; I467-L478 HydrophobicContact CD1-CB 3.89Å; I467-L478 HydrophobicContact CG1-CB 3.71Å; I467-L478 HydrophobicContact CG1-CD2 3.89Å; I467-L478 HydrophobicContact CG1-CG 4.49Å; I467-L485 HydrophobicContact CD1-CD1 4.28Å; I467-F505 HydrophobicContact CD1-CE2 4.45Å; I467-F505 HydrophobicContact CG1-CE2 4.35Å; I467-F505 HydrophobicContact CG2-CD2 4.1Å; I467-F505 HydrophobicContact CG2-CE2 4.29Å; I467-V507 HydrophobicContact CG1-CG1 4.35Å
468R91.6Very high87.2Confident122 Ų12258.3 Ų58.346%0.4631%0.311SS..  trans-80.1-56.7176.9-176.1-172.8175.7129.1-16.5110.8P470 L506 E508R468-P470 WeakPolarHBondContact O-CD 3.29Å; R468-L506 HydrophobicContact CB-CB 3.96Å; R468-L506 WeakPolarHBondContact CB-O 3.5Å; R468-L506 HydrophobicContact CG-CB 4.45Å; R468-L506 PolarHBondContact N-O 2.65Å; R468-E508 HydrophobicContact CB-CG 4.02Å; R468-E508 WeakPolarHBondContact CD-OE1 3.21Å; R468-E508 HydrophobicContact CG-CG 4.41Å; R468-E508 IonicContact CZ-OE1 3.67Å; R468-E508 IonicContact NE-OE1 2.83Å; R468-E508 IonicContact NH1-OE1 2.69Å; R468-E508 PolarHBondContact NH1-OE1 2.84Å
469S88.9Confident87.6Confident13 Ų1362 Ų629%0.09133%0.327CS..  trans-51.4113177.8-860000113.1I467 E471 K473 L506I467-S469 WeakPolarHBondContact CG2-O 3.32Å; S469-E471 WeakPolarHBondContact CA-OE1 3.25Å; S469-E471 WeakPolarHBondContact CB-OE1 3.35Å; S469-E471 PolarHBondContact OG-OE1 3Å; S469-K473 VanDerWaalsContact O-CE 3.25Å; S469-K473 WeakPolarHBondContact O-CE 3.5Å; S469-K473 WeakPolarHBondContact O-CG 3.5Å; S469-L506 PolarHBondContact OG-N 3.2Å
470P87.1Confident88.2Confident94 Ų9458.1 Ų58.161%0.6131%0.31SS*.SBendtrans-70.8-36.2177.827.3-33.6000112.9R468 V472 K473R468-P470 WeakPolarHBondContact O-CD 3.29Å; P470-V472 VanDerWaalsContact C-N 3.29Å; P470-V472 PolarHBondContact O-N 3.15Å; P470-K473 WeakPolarHBondContact O-CB 3.46Å; P470-K473 PolarHBondContact O-N 3.12Å; P470-K473 VanDerWaalsContact O-N 3.13Å
471E85.8Confident88.9Confident112 Ų11263.1 Ų63.152%0.52332%0.317SS..G310 helixtrans-54.5-39.5-176.552.2-72.5159.800113.4S469 K473 H474S469-E471 WeakPolarHBondContact CA-OE1 3.25Å; S469-E471 WeakPolarHBondContact CB-OE1 3.35Å; S469-E471 PolarHBondContact OG-OE1 3Å; E471-K473 PolarHBondContact O-N 3.23Å; E471-H474 PolarHBondContact O-CE1 3.09Å; E471-H474 VanDerWaalsContact O-CE1 3.25Å; E471-H474 PolarHBondContact O-ND1 3.06Å
472V90.4Very high89.9Confident6 Ų664.5 Ų64.54%0.03632%0.322CS..G310 helixtrans-84.3-5.7-177.7-51.90000114.9I467 P470 H474 L475 F476 I503 F505I467-V472 HydrophobicContact CG2-CG2 3.78Å; P470-V472 VanDerWaalsContact C-N 3.29Å; P470-V472 PolarHBondContact O-N 3.15Å; V472-H474 PolarHBondContact O-N 2.98Å; V472-L475 PolarHBondContact O-N 3.47Å; V472-F476 HydrophobicContact CB-CD2 3.85Å; V472-F476 HydrophobicContact CB-CE2 4.26Å; V472-F476 HydrophobicContact CG2-CD2 4.15Å; V472-F476 PolarHBondContact O-N 3.24Å; V472-I503 HydrophobicContact CG1-CG2 3.52Å; V472-F505 HydrophobicContact CB-CB 4.49Å; V472-F505 HydrophobicContact CB-CD1 4.47Å; V472-F505 HydrophobicContact CB-CG 4.41Å; V472-F505 HydrophobicContact CG1-CB 3.8Å; V472-F505 HydrophobicContact CG1-CD1 4.13Å; V472-F505 HydrophobicContact CG1-CG 4.1Å; V472-F505 HydrophobicContact CG2-CB 3.93Å; V472-F505 HydrophobicContact CG2-CD1 4.16Å; V472-F505 HydrophobicContact CG2-CD2 3.78Å; V472-F505 HydrophobicContact CG2-CE2 4.24Å; V472-F505 HydrophobicContact CG2-CG 3.72Å
473K88.3Confident90.4Very high102 Ų10259.5 Ų59.544%0.44330%0.296SS..G310 helixtrans-69.8-6-174.5-64-177.3-177.7-178.80114.4I467 S469 P470 E471I467-K473 HydrophobicContact CG2-CG 4.16Å; I467-K473 WeakPolarHBondContact O-CE 3.43Å; I467-K473 PolarHBondContact O-NZ 3.15Å; S469-K473 VanDerWaalsContact O-CE 3.25Å; S469-K473 WeakPolarHBondContact O-CE 3.5Å; S469-K473 WeakPolarHBondContact O-CG 3.5Å; P470-K473 WeakPolarHBondContact O-CB 3.46Å; P470-K473 PolarHBondContact O-N 3.12Å; P470-K473 VanDerWaalsContact O-N 3.13Å; E471-K473 PolarHBondContact O-N 3.23Å
474H88.8Confident90.8Very high112 Ų11261.7 Ų61.752%0.51930%0.304SS..G310 helixtrans-96.3-5.5171.179.7-82.4000113.2E471 V472E471-H474 PolarHBondContact O-CE1 3.09Å; E471-H474 VanDerWaalsContact O-CE1 3.25Å; E471-H474 PolarHBondContact O-ND1 3.06Å; V472-H474 PolarHBondContact O-N 2.98Å
475L89.8Confident90.9Very high25 Ų2559.8 Ų59.813%0.13129%0.291CS..THydrogen-bonded Turntrans-113.9-33.6179.2-58.7177.8000112.2V472 L488 R489 L491 I503V472-L475 PolarHBondContact O-N 3.47Å; L475-L488 PolarHBondContact O-N 3.09Å; L475-R489 HydrophobicContact CD2-CB 4.35Å; L475-L491 HydrophobicContact CD2-CD2 4.35Å; L475-I503 HydrophobicContact CD1-CD1 3.61Å
476F93.7Very high90.9Very high3 Ų359.8 Ų59.81%0.01329%0.294CS..EExtended strand (participates in β ladder)trans-129.2146.3-177.8-50.1-58.1000113.4F449 I467 V472 L485 S486 L487 L491 I503 F505 V525F449-F476 AromaticContact CE1-CD1 3.76Å; F449-F476 HydrophobicContact CE1-CD1 3.76Å; F449-F476 AromaticContact CE1-CE1 4Å; F449-F476 HydrophobicContact CE1-CE1 4Å; F449-F476 AromaticContact CZ-CD1 3.57Å; F449-F476 HydrophobicContact CZ-CD1 3.57Å; F449-F476 AromaticContact CZ-CE1 3.65Å; F449-F476 HydrophobicContact CZ-CE1 3.65Å; F449-F476 HydrophobicContact CZ-CG 4.38Å; I467-F476 HydrophobicContact CD1-CB 4.29Å; V472-F476 HydrophobicContact CB-CD2 3.85Å; V472-F476 HydrophobicContact CB-CE2 4.26Å; V472-F476 HydrophobicContact CG2-CD2 4.15Å; V472-F476 PolarHBondContact O-N 3.24Å; F476-L485 HydrophobicContact CB-CD1 4.12Å; F476-S486 WeakPolarHBondContact CA-O 3.18Å; F476-L487 HydrophobicContact CD1-CD2 3.83Å; F476-L487 HydrophobicContact CE1-CD2 3.57Å; F476-L491 HydrophobicContact CE1-CD1 4.35Å; F476-L491 HydrophobicContact CZ-CD1 4.49Å; F476-I503 HydrophobicContact CE2-CB 4.26Å; F476-I503 HydrophobicContact CE2-CD1 4.05Å; F476-I503 HydrophobicContact CE2-CG2 4.02Å; F476-I503 HydrophobicContact CZ-CB 4.49Å; F476-I503 HydrophobicContact CZ-CD1 3.87Å; F476-F505 HydrophobicContact CD2-CD1 4.06Å; F476-F505 AromaticContact CD2-CE1 3.36Å; F476-F505 HydrophobicContact CD2-CE1 3.36Å; F476-F505 AromaticContact CD2-CZ 3.65Å; F476-F505 HydrophobicContact CD2-CZ 3.65Å; F476-F505 AromaticContact CE2-CD1 3.93Å; F476-F505 HydrophobicContact CE2-CD1 3.93Å; F476-F505 AromaticContact CE2-CE1 3.38Å; F476-F505 HydrophobicContact CE2-CE1 3.38Å; F476-F505 HydrophobicContact CE2-CZ 4.15Å; F476-F505 HydrophobicContact CG-CE1 4.31Å; F476-F505 HydrophobicContact CG-CZ 4.28Å; F476-F505 HydrophobicContact CZ-CE1 4.33Å; F476-V525 HydrophobicContact CE1-CG1 4.33Å; F476-V525 HydrophobicContact CE1-CG2 4.15Å; F476-V525 HydrophobicContact CE2-CG2 4.14Å; F476-V525 HydrophobicContact CZ-CB 3.9Å; F476-V525 HydrophobicContact CZ-CG1 4Å; F476-V525 HydrophobicContact CZ-CG2 3.67Å
477A92.7Very high91Very high39 Ų3953.8 Ų53.832%0.32227%0.272SS..EExtended strand (participates in β ladder)trans-122.6138.5169.500000110.5L485 S486A477-L485 WeakPolarHBondContact O-CA 3.34Å; A477-S486 PolarHBondContact N-O 2.95Å; A477-S486 PolarHBondContact O-N 3.41Å; A477-S486 PolarHBondContact O-OG 3.02Å
478L94Very high90.8Very high25 Ų2557.9 Ų57.913%0.13129%0.293CS..EExtended strand (participates in β ladder)trans-122.9127.2-178175.863.9000109.8I452 I467 E484 L485 V507I452-L478 HydrophobicContact CD1-CD1 3.72Å; I452-L478 HydrophobicContact CD1-CD2 3.85Å; I452-L478 HydrophobicContact CD1-CG 4.42Å; I452-L478 HydrophobicContact CG1-CD1 4.09Å; I467-L478 HydrophobicContact CD1-CB 3.89Å; I467-L478 HydrophobicContact CG1-CB 3.71Å; I467-L478 HydrophobicContact CG1-CD2 3.89Å; I467-L478 HydrophobicContact CG1-CG 4.49Å; L478-E484 CarbonylContact C-O 3.55Å; L478-E484 WeakPolarHBondContact CA-O 3.28Å; L478-L485 HydrophobicContact CB-CD1 3.94Å; L478-L485 HydrophobicContact CD1-CB 4.23Å; L478-L485 HydrophobicContact CD1-CD1 4.24Å; L478-V507 HydrophobicContact CD2-CB 4.35Å; L478-V507 HydrophobicContact CD2-CG1 3.95Å
479H93.1Very high90.5Very high90 Ų9058.6 Ų58.642%0.41730%0.296SS..  trans-84.4121.5-177.2-174-103.2000112.1F481 T482 G483 E484H479-F481 VanDerWaalsContact C-N 3.29Å; H479-F481 PolarHBondContact O-N 3.36Å; H479-F481 VanDerWaalsContact O-N 3.13Å; H479-T482 WeakPolarHBondContact CB-OG1 3.47Å; H479-T482 PolarHBondContact ND1-OG1 3.39Å; H479-T482 PolarHBondContact O-N 3.05Å; H479-G483 PolarHBondContact O-N 3.14Å; H479-E484 HydrophobicContact CB-CB 4.29Å; H479-E484 PolarHBondContact N-O 3.25Å
480P90.4Very high90.4Very high51 Ų5160 Ų6033%0.33131%0.306SS..THydrogen-bonded Turntrans-71.9-14-160.527.3-36.6000115.8S464 Y465S464-P480 CarbonylContact C-O 3.56Å; S464-P480 WeakPolarHBondContact CA-O 3.41Å; Y465-P480 PolarHBondContact N-O 2.96Å; Y465-P480 WeakPolarHBondContact O-CB 3.48Å
481F88.4Confident90.3Very high157 Ų15756 Ų5669%0.68928%0.279SS*.THydrogen-bonded Turntrans-115.7-10.2-179.2-59.5-69.4000114.4H479H479-F481 VanDerWaalsContact C-N 3.29Å; H479-F481 PolarHBondContact O-N 3.36Å; H479-F481 VanDerWaalsContact O-N 3.13Å
482T89.5Confident90.1Very high59 Ų5953.8 Ų53.836%0.36227%0.271SS..THydrogen-bonded Turntrans-113.3-28.6177.358.30000112.7Q451 H479 E484Q451-T482 PolarHBondContact NE2-O 3.31Å; H479-T482 WeakPolarHBondContact CB-OG1 3.47Å; H479-T482 PolarHBondContact ND1-OG1 3.39Å; H479-T482 PolarHBondContact O-N 3.05Å; T482-E484 PolarHBondContact OG1-N 3.11Å
483G91.2Very high89.6Confident0 Ų055.2 Ų55.20%028%0.276CS..  trans81.913.7-172.200000114.1I452 H479I452-G483 PolarHBondContact N-O 2.58Å; I452-G483 WeakPolarHBondContact O-CA 3.36Å; H479-G483 PolarHBondContact O-N 3.14Å
484E93.3Very high88.9Confident78 Ų7853.9 Ų53.936%0.36427%0.271SS..EExtended strand (participates in β ladder)trans-74.3126.7176.7-173177.9-18000111.2S448 L478 H479 T482S448-E484 VanDerWaalsContact CB-OE1 3.23Å; S448-E484 WeakPolarHBondContact CB-OE1 3.38Å; S448-E484 PolarHBondContact OG-OE1 3.49Å; L478-E484 CarbonylContact C-O 3.55Å; L478-E484 WeakPolarHBondContact CA-O 3.28Å; H479-E484 HydrophobicContact CB-CB 4.29Å; H479-E484 PolarHBondContact N-O 3.25Å; T482-E484 PolarHBondContact OG1-N 3.11Å
485L94Very high88.4Confident1 Ų151.8 Ų51.81%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-113.6128.4-178.5-17575.8000110.8S448 F449 L450 I467 F476 A477 L478 F505 V523S448-L485 WeakPolarHBondContact CA-O 3.42Å; F449-L485 HydrophobicContact CE1-CG 4.28Å; F449-L485 HydrophobicContact CE2-CD2 3.54Å; F449-L485 HydrophobicContact CE2-CG 4.12Å; F449-L485 HydrophobicContact CZ-CD2 3.53Å; F449-L485 HydrophobicContact CZ-CG 3.72Å; F449-L485 PolarHBondContact N-O 2.87Å; L450-L485 HydrophobicContact CB-CB 4.23Å; L450-L485 HydrophobicContact CB-CD2 4.17Å; L450-L485 HydrophobicContact CD2-CD2 3.99Å; L450-L485 PolarHBondContact N-O 2.83Å; L450-L485 WeakPolarHBondContact O-CB 3.48Å; L450-L485 PolarHBondContact O-N 3.14Å; I467-L485 HydrophobicContact CD1-CD1 4.28Å; F476-L485 HydrophobicContact CB-CD1 4.12Å; A477-L485 WeakPolarHBondContact O-CA 3.34Å; L478-L485 HydrophobicContact CB-CD1 3.94Å; L478-L485 HydrophobicContact CD1-CB 4.23Å; L478-L485 HydrophobicContact CD1-CD1 4.24Å; L485-F505 HydrophobicContact CD1-CZ 4.22Å; L485-F505 HydrophobicContact CD2-CZ 3.96Å; L485-V523 HydrophobicContact CD2-CG1 3.96Å
486S93.1Very high87.6Confident24 Ų2452.7 Ų52.717%0.16828%0.276CS..EExtended strand (participates in β ladder)trans-137.8154.9-171.365.60000113.9T447 F476 A477T447-S486 CarbonylContact O-C 3.53Å; T447-S486 WeakPolarHBondContact O-CA 3.13Å; T447-S486 WeakPolarHBondContact O-CB 3.32Å; F476-S486 WeakPolarHBondContact CA-O 3.18Å; A477-S486 PolarHBondContact N-O 2.95Å; A477-S486 PolarHBondContact O-N 3.41Å; A477-S486 PolarHBondContact O-OG 3.02Å
487L92Very high86.3Confident2 Ų257 Ų571%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-69.9131.9173.3-68.2-173.4000111.6V439 L443 G446 T447 F449 F476 L491V439-L487 HydrophobicContact CG1-CD1 4.33Å; L443-L487 HydrophobicContact CB-CD1 3.82Å; G446-L487 PolarHBondContact N-O 3.17Å; T447-L487 PolarHBondContact O-N 3.04Å; T447-L487 WeakPolarHBondContact OG1-CD1 3.05Å; F449-L487 HydrophobicContact CD1-CD2 4.26Å; F449-L487 HydrophobicContact CD1-CG 4.13Å; F449-L487 HydrophobicContact CE1-CD2 3.8Å; F449-L487 HydrophobicContact CE1-CG 4.09Å; F476-L487 HydrophobicContact CD1-CD2 3.83Å; F476-L487 HydrophobicContact CE1-CD2 3.57Å; L487-L491 HydrophobicContact CD2-CD1 4.04Å; L487-L491 HydrophobicContact CD2-CG 4.05Å
488L90.2Very high84.8Confident100 Ų10062.5 Ų62.552%0.52433%0.329SS..SBendtrans-94.7-24168.8-165.270.5000112.1A445 L475A445-L488 WeakPolarHBondContact CB-O 3.36Å; L475-L488 PolarHBondContact O-N 3.09Å
489R86.8Confident82.9Confident138 Ų13868.2 Ų68.252%0.52135%0.354SS..SBendtrans-142.1146.5175.3-175.2-169.9157.9-177.5-7.7108L475L475-R489 HydrophobicContact CD2-CB 4.35Å
490S85.2Confident81.4Confident43 Ų4371.4 Ų71.430%0.30137%0.369SS..  trans-59.1141.3168.5-57.70000111.3L443L443-S490 WeakPolarHBondContact O-CA 3.15Å; L443-S490 VanDerWaalsContact O-CB 3.23Å; L443-S490 WeakPolarHBondContact O-CB 3.03Å; L443-S490 PolarHBondContact O-OG 2.74Å
491L85.9Confident80.7Confident8 Ų869.3 Ų69.34%0.04236%0.356CS..  trans-88.1161.9173.1-55.6-179.5000110.1V439 N442 L475 F476 L487 I503 V525 V527V439-L491 HydrophobicContact CG1-CD1 4.19Å; N442-L491 PolarHBondContact N-O 3.41Å; L475-L491 HydrophobicContact CD2-CD2 4.35Å; F476-L491 HydrophobicContact CE1-CD1 4.35Å; F476-L491 HydrophobicContact CZ-CD1 4.49Å; L487-L491 HydrophobicContact CD2-CD1 4.04Å; L487-L491 HydrophobicContact CD2-CG 4.05Å; L491-I503 HydrophobicContact CD2-CD1 4.39Å; L491-V525 HydrophobicContact CD1-CG1 4.22Å; L491-V527 HydrophobicContact CB-CG1 4.26Å; L491-V527 HydrophobicContact CB-CG2 4.32Å; L491-V527 HydrophobicContact CD1-CG2 3.72Å
492D82.1Confident80.6Confident66 Ų6664.2 Ų64.235%0.35334%0.34SS..  trans-153.5115.2-162161.6-24.3000103.3A495 F496D492-A495 HydrophobicContact CB-CB 4.25Å; D492-A495 VanDerWaalsContact OD1-CB 3.22Å; D492-A495 WeakPolarHBondContact OD1-CB 3.38Å; D492-A495 PolarHBondContact OD1-N 2.88Å; D492-F496 VanDerWaalsContact O-CD2 3.26Å; D492-F496 WeakPolarHBondContact O-CD2 3.15Å; D492-F496 VanDerWaalsContact O-CE2 3.27Å; D492-F496 WeakPolarHBondContact O-CE2 3.21Å
493Y78.8Confident80.5Confident36 Ų3662.4 Ų62.414%0.14133%0.328CS..SBendtrans-77.1-37.2-168.2-175.7-95.7000111.7E441 A495 F496 A501 V527 D529 P566E441-Y493 VanDerWaalsContact CD-CB 3.48Å; E441-Y493 VanDerWaalsContact OE1-CB 3.23Å; E441-Y493 WeakPolarHBondContact OE1-CB 3.43Å; E441-Y493 VanDerWaalsContact OE2-CB 3.31Å; E441-Y493 WeakPolarHBondContact OE2-CB 3.47Å; E441-Y493 PolarHBondContact OE2-N 2.82Å; Y493-A495 PolarHBondContact O-N 2.92Å; Y493-F496 WeakPolarHBondContact O-CB 3.37Å; Y493-F496 WeakPolarHBondContact O-CD2 3.43Å; Y493-F496 PolarHBondContact O-N 3.16Å; Y493-F496 VanDerWaalsContact O-N 3.08Å; Y493-A501 HydrophobicContact CD2-CB 3.44Å; Y493-A501 VanDerWaalsContact CD2-CB 3.44Å; Y493-A501 HydrophobicContact CE2-CB 3.24Å; Y493-A501 HydrophobicContact CG-CB 4.34Å; Y493-V527 HydrophobicContact CD2-CB 4.2Å; Y493-V527 HydrophobicContact CD2-CG1 4.11Å; Y493-V527 WeakPolarHBondContact CE2-O 3.22Å; Y493-D529 HydrophobicContact CD1-CB 4.09Å; Y493-D529 HydrophobicContact CD2-CB 4.06Å; Y493-D529 HydrophobicContact CE1-CB 3.87Å; Y493-D529 WeakPolarHBondContact CE1-OD2 3.43Å; Y493-D529 HydrophobicContact CE2-CB 3.83Å; Y493-D529 HydrophobicContact CG-CB 4.19Å; Y493-P566 HydrophobicContact CD1-CG 4.36Å; Y493-P566 HydrophobicContact CE1-CG 4.04Å
494E74.7Confident80.5Confident74 Ų7466.2 Ų66.235%0.34635%0.352SS..THydrogen-bonded Turntrans-65.7-23.4177.6-75.352.7-119.300112.7F496 Y533E494-F496 PolarHBondContact O-N 3.01Å; E494-Y533 HydrophobicContact CG-CE2 4.23Å
495A77.2Confident80.5Confident69 Ų6962.6 Ų62.657%0.5734%0.335SS*.THydrogen-bonded Turntrans-68.2-8.4172.500000114.4D492 Y493D492-A495 HydrophobicContact CB-CB 4.25Å; D492-A495 VanDerWaalsContact OD1-CB 3.22Å; D492-A495 WeakPolarHBondContact OD1-CB 3.38Å; D492-A495 PolarHBondContact OD1-N 2.88Å; Y493-A495 PolarHBondContact O-N 2.92Å
496F74.1Confident80.5Confident44 Ų4465 Ų6519%0.19335%0.348CS..SBendtrans-89.9129.8179.2-73.4-94.1000113.1D492 Y493 E494 A501 I503 V527D492-F496 VanDerWaalsContact O-CD2 3.26Å; D492-F496 WeakPolarHBondContact O-CD2 3.15Å; D492-F496 VanDerWaalsContact O-CE2 3.27Å; D492-F496 WeakPolarHBondContact O-CE2 3.21Å; Y493-F496 WeakPolarHBondContact O-CB 3.37Å; Y493-F496 WeakPolarHBondContact O-CD2 3.43Å; Y493-F496 PolarHBondContact O-N 3.16Å; Y493-F496 VanDerWaalsContact O-N 3.08Å; E494-F496 PolarHBondContact O-N 3.01Å; F496-A501 HydrophobicContact CB-CB 4.03Å; F496-A501 HydrophobicContact CD1-CB 4.35Å; F496-A501 HydrophobicContact CD2-CB 4.1Å; F496-A501 HydrophobicContact CG-CB 3.9Å; F496-I503 HydrophobicContact CE1-CD1 4.13Å; F496-I503 HydrophobicContact CE1-CG1 3.54Å; F496-I503 HydrophobicContact CZ-CD1 3.82Å; F496-I503 HydrophobicContact CZ-CG1 3.7Å; F496-V527 HydrophobicContact CE2-CB 4.24Å; F496-V527 HydrophobicContact CE2-CG2 3.64Å; F496-V527 HydrophobicContact CZ-CG2 3.59Å
497P66.4Low80.5Confident93 Ų9363.9 Ų63.960%0.60434%0.34SS*.G310 helixtrans-62.6150.3170.2-22.334.1000113.4Q499 E500P497-Q499 PolarHBondContact O-N 3.46Å; P497-E500 PolarHBondContact O-N 3.02Å
498D60.5Low80.5Confident155 Ų15564.2 Ų64.283%0.82934%0.341SS*.G310 helixtrans56.924.4158.9-53.7-39.5000117E500D498-E500 PolarHBondContact O-N 3.3Å; D498-E500 VanDerWaalsContact O-N 3.08Å
499Q55Low80.6Confident144 Ų14459.4 Ų59.467%0.67332%0.316SS*.G310 helixtrans61.33-178.7-62.1-170.5-41.100116.1P497 A501P497-Q499 PolarHBondContact O-N 3.46Å; Q499-A501 VanDerWaalsContact C-N 3.31Å; Q499-A501 PolarHBondContact O-N 3.35Å; Q499-A501 VanDerWaalsContact O-N 3.14Å
500E61.6Low80.6Confident157 Ų15754.9 Ų54.973%0.73430%0.3SS*.  trans-87.669.6170.9-69.4-166.2172.800110.6P497 D498 S502P497-E500 PolarHBondContact O-N 3.02Å; D498-E500 PolarHBondContact O-N 3.3Å; D498-E500 VanDerWaalsContact O-N 3.08Å; E500-S502 PolarHBondContact O-N 2.75Å
501A75.6Confident80.5Confident7 Ų753.4 Ų53.46%0.05829%0.289CS..  trans-71.658.9179.300000113.1Y493 F496 Q499 V527Y493-A501 HydrophobicContact CD2-CB 3.44Å; Y493-A501 VanDerWaalsContact CD2-CB 3.44Å; Y493-A501 HydrophobicContact CE2-CB 3.24Å; Y493-A501 HydrophobicContact CG-CB 4.34Å; F496-A501 HydrophobicContact CB-CB 4.03Å; F496-A501 HydrophobicContact CD1-CB 4.35Å; F496-A501 HydrophobicContact CD2-CB 4.1Å; F496-A501 HydrophobicContact CG-CB 3.9Å; Q499-A501 VanDerWaalsContact C-N 3.31Å; Q499-A501 PolarHBondContact O-N 3.35Å; Q499-A501 VanDerWaalsContact O-N 3.14Å; A501-V527 HydrophobicContact CB-CB 4.29Å; A501-V527 PolarHBondContact O-N 2.7Å
502S85.6Confident79.9Confident50 Ų5058.2 Ų58.235%0.3531%0.313SS..EExtended strand (participates in β ladder)trans-133.6126.2-179.7780000112.1E500 V525E500-S502 PolarHBondContact O-N 2.75Å; S502-V525 CarbonylContact C-O 3.43Å; S502-V525 VanDerWaalsContact CA-O 3.29Å; S502-V525 WeakPolarHBondContact CA-O 3.48Å
503I87.9Confident79.3Confident22 Ų2263 Ų6311%0.11333%0.328CS..EExtended strand (participates in β ladder)trans-99.3106.6173.8-51.5176.1000108.3V472 L475 F476 L491 F496 F505 T524 V525V472-I503 HydrophobicContact CG1-CG2 3.52Å; L475-I503 HydrophobicContact CD1-CD1 3.61Å; F476-I503 HydrophobicContact CE2-CB 4.26Å; F476-I503 HydrophobicContact CE2-CD1 4.05Å; F476-I503 HydrophobicContact CE2-CG2 4.02Å; F476-I503 HydrophobicContact CZ-CB 4.49Å; F476-I503 HydrophobicContact CZ-CD1 3.87Å; L491-I503 HydrophobicContact CD2-CD1 4.39Å; F496-I503 HydrophobicContact CE1-CD1 4.13Å; F496-I503 HydrophobicContact CE1-CG1 3.54Å; F496-I503 HydrophobicContact CZ-CD1 3.82Å; F496-I503 HydrophobicContact CZ-CG1 3.7Å; I503-F505 HydrophobicContact CG2-CD1 4.19Å; I503-T524 WeakPolarHBondContact O-CA 3.45Å; I503-V525 PolarHBondContact N-O 3.33Å; I503-V525 PolarHBondContact O-N 3.22Å
504T90.2Very high78.7Confident79 Ų7964.1 Ų64.149%0.48535%0.35SS..EExtended strand (participates in β ladder)trans-99.7125.6171.4-61.50000110.9V523 T524T504-V523 CarbonylContact C-O 3.26Å; T504-V523 WeakPolarHBondContact CA-O 3.48Å; T504-T524 WeakPolarHBondContact CG2-OG1 3.35Å; T504-T524 WeakPolarHBondContact OG1-CG2 3.35Å; T504-T524 PolarHBondContact OG1-OG1 3.48Å
505F93.1Very high78.6Confident3 Ų364.7 Ų64.71%0.01336%0.358CS..EExtended strand (participates in β ladder)trans-144.1170.3-178.967.8-90.9000112.8I467 V472 F476 L485 I503 V507 T522 V523 V525I467-F505 HydrophobicContact CD1-CE2 4.45Å; I467-F505 HydrophobicContact CG1-CE2 4.35Å; I467-F505 HydrophobicContact CG2-CD2 4.1Å; I467-F505 HydrophobicContact CG2-CE2 4.29Å; V472-F505 HydrophobicContact CB-CB 4.49Å; V472-F505 HydrophobicContact CB-CD1 4.47Å; V472-F505 HydrophobicContact CB-CG 4.41Å; V472-F505 HydrophobicContact CG1-CB 3.8Å; V472-F505 HydrophobicContact CG1-CD1 4.13Å; V472-F505 HydrophobicContact CG1-CG 4.1Å; V472-F505 HydrophobicContact CG2-CB 3.93Å; V472-F505 HydrophobicContact CG2-CD1 4.16Å; V472-F505 HydrophobicContact CG2-CD2 3.78Å; V472-F505 HydrophobicContact CG2-CE2 4.24Å; V472-F505 HydrophobicContact CG2-CG 3.72Å; F476-F505 HydrophobicContact CD2-CD1 4.06Å; F476-F505 AromaticContact CD2-CE1 3.36Å; F476-F505 HydrophobicContact CD2-CE1 3.36Å; F476-F505 AromaticContact CD2-CZ 3.65Å; F476-F505 HydrophobicContact CD2-CZ 3.65Å; F476-F505 AromaticContact CE2-CD1 3.93Å; F476-F505 HydrophobicContact CE2-CD1 3.93Å; F476-F505 AromaticContact CE2-CE1 3.38Å; F476-F505 HydrophobicContact CE2-CE1 3.38Å; F476-F505 HydrophobicContact CE2-CZ 4.15Å; F476-F505 HydrophobicContact CG-CE1 4.31Å; F476-F505 HydrophobicContact CG-CZ 4.28Å; F476-F505 HydrophobicContact CZ-CE1 4.33Å; L485-F505 HydrophobicContact CD1-CZ 4.22Å; L485-F505 HydrophobicContact CD2-CZ 3.96Å; I503-F505 HydrophobicContact CG2-CD1 4.19Å; F505-V507 HydrophobicContact CD2-CG1 4.23Å; F505-V507 HydrophobicContact CE2-CG1 3.79Å; F505-T522 CarbonylContact O-C 3.58Å; F505-T522 WeakPolarHBondContact O-CA 3.05Å; F505-V523 HydrophobicContact CD1-CB 4.33Å; F505-V523 WeakPolarHBondContact CD1-O 3.49Å; F505-V523 HydrophobicContact CD2-CB 4.42Å; F505-V523 HydrophobicContact CE1-CB 3.92Å; F505-V523 HydrophobicContact CE1-CG1 3.83Å; F505-V523 HydrophobicContact CE2-CB 4.04Å; F505-V523 HydrophobicContact CE2-CG2 4.36Å; F505-V523 HydrophobicContact CZ-CB 3.78Å; F505-V523 HydrophobicContact CZ-CG1 3.79Å; F505-V523 HydrophobicContact CZ-CG2 4.4Å; F505-V523 PolarHBondContact N-O 2.89Å; F505-V523 PolarHBondContact O-N 3.41Å; F505-V525 HydrophobicContact CE1-CG2 4.06Å
506L93.5Very high78.7Confident52 Ų5264 Ų6427%0.27234%0.344SS..EExtended strand (participates in β ladder)trans-107.3137.7-176.7-67.8172.6000113.1R468 S469 I520 T522R468-L506 HydrophobicContact CB-CB 3.96Å; R468-L506 WeakPolarHBondContact CB-O 3.5Å; R468-L506 HydrophobicContact CG-CB 4.45Å; R468-L506 PolarHBondContact N-O 2.65Å; S469-L506 PolarHBondContact OG-N 3.2Å; L506-I520 HydrophobicContact CD2-CG2 3.81Å; L506-T522 HydrophobicContact CD2-CG2 3.5Å; L506-T522 VanDerWaalsContact CD2-CG2 3.5Å
507V94.1Very high79.1Confident0 Ų065.9 Ų65.90%036%0.361CS..EExtended strand (participates in β ladder)trans-117.4151169.5-63.90000110.3F430 I452 R466 I467 L478 F505 I520 A521 V523F430-V507 HydrophobicContact CE1-CG2 4.25Å; F430-V507 HydrophobicContact CE2-CG2 4.31Å; F430-V507 HydrophobicContact CZ-CB 4.39Å; F430-V507 HydrophobicContact CZ-CG2 3.87Å; I452-V507 HydrophobicContact CD1-CB 4.07Å; I452-V507 HydrophobicContact CD1-CG1 4.31Å; I452-V507 HydrophobicContact CD1-CG2 3.86Å; R466-V507 CarbonylContact O-C 3.57Å; R466-V507 WeakPolarHBondContact O-CA 3.25Å; I467-V507 HydrophobicContact CG1-CG1 4.35Å; L478-V507 HydrophobicContact CD2-CB 4.35Å; L478-V507 HydrophobicContact CD2-CG1 3.95Å; F505-V507 HydrophobicContact CD2-CG1 4.23Å; F505-V507 HydrophobicContact CE2-CG1 3.79Å; V507-I520 WeakPolarHBondContact O-CA 3.09Å; V507-A521 HydrophobicContact CG2-CB 3.97Å; V507-A521 WeakPolarHBondContact CG2-O 3.25Å; V507-A521 PolarHBondContact N-O 3.15Å; V507-A521 PolarHBondContact O-N 3.46Å; V507-V523 HydrophobicContact CG1-CG2 4.01Å; V507-V523 HydrophobicContact CG2-CG2 3.99Å
508E92.4Very high80.2Confident8 Ų863.3 Ų63.34%0.03734%0.344CS..EExtended strand (participates in β ladder)trans-130.2146-176-68.1175151.300111.6Y465 R466 R468 F510 G519 I520Y465-E508 CarbonylContact C-O 3.58Å; Y465-E508 WeakPolarHBondContact CA-O 3.48Å; R466-E508 HydrophobicContact CG-CB 4Å; R466-E508 IonicContact CZ-OE2 3.84Å; R466-E508 PolarHBondContact N-O 3.14Å; R466-E508 IonicContact NE-OE2 2.68Å; R466-E508 PolarHBondContact NE-OE2 3.16Å; R466-E508 IonicContact NH2-OE2 3.73Å; R466-E508 PolarHBondContact NH2-OE2 2.77Å; R466-E508 PolarHBondContact O-N 2.55Å; R468-E508 HydrophobicContact CB-CG 4.02Å; R468-E508 WeakPolarHBondContact CD-OE1 3.21Å; R468-E508 HydrophobicContact CG-CG 4.41Å; R468-E508 IonicContact CZ-OE1 3.67Å; R468-E508 IonicContact NE-OE1 2.83Å; R468-E508 IonicContact NH1-OE1 2.69Å; R468-E508 PolarHBondContact NH1-OE1 2.84Å; E508-F510 HydrophobicContact CB-CE2 3.63Å; E508-F510 HydrophobicContact CB-CZ 4.21Å; E508-G519 CarbonylContact C-O 3.58Å; E508-G519 WeakPolarHBondContact CA-O 2.97Å; E508-I520 HydrophobicContact CG-CG1 4.23Å
509A91.6Very high81.5Confident0 Ų056.5 Ų56.50%031%0.31CS..EExtended strand (participates in β ladder)trans-122.7134.2177.700000111P428 F430 A454 V463 S464 Y465 P518 G519P428-A509 HydrophobicContact CB-CB 4.14Å; F430-A509 HydrophobicContact CD2-CB 4.38Å; F430-A509 HydrophobicContact CE1-CB 4.16Å; F430-A509 HydrophobicContact CE2-CB 3.71Å; F430-A509 HydrophobicContact CZ-CB 3.58Å; A454-A509 HydrophobicContact CB-CB 3.8Å; V463-A509 HydrophobicContact CG1-CB 3.84Å; S464-A509 CarbonylContact O-C 3.52Å; S464-A509 WeakPolarHBondContact O-CA 3.39Å; Y465-A509 HydrophobicContact CD1-CB 4.09Å; Y465-A509 HydrophobicContact CE1-CB 4.17Å; A509-P518 CarbonylContact O-C 3.59Å; A509-P518 WeakPolarHBondContact O-CA 3.2Å; A509-P518 WeakPolarHBondContact O-CB 3.36Å; A509-G519 PolarHBondContact N-O 3.19Å; A509-G519 PolarHBondContact O-N 3.47Å
510F87.5Confident83.3Confident43 Ų4353.7 Ų53.719%0.18930%0.299CS..EExtended strand (participates in β ladder)trans-123143.6-176.5-66.9-96.3000110.8V463 S464 R466 E508 P518V463-F510 CarbonylContact C-O 3.56Å; V463-F510 VanDerWaalsContact CA-O 3.26Å; V463-F510 WeakPolarHBondContact CA-O 3.19Å; S464-F510 PolarHBondContact N-O 3.38Å; S464-F510 PolarHBondContact O-N 2.63Å; R466-F510 HydrophobicContact CG-CE2 3.88Å; R466-F510 VanDerWaalsContact CZ-CE2 3.41Å; R466-F510 VanDerWaalsContact NE-CE2 3.27Å; R466-F510 VanDerWaalsContact NH1-CZ 3.28Å; R466-F510 VanDerWaalsContact NH2-CZ 3.29Å; E508-F510 HydrophobicContact CB-CE2 3.63Å; E508-F510 HydrophobicContact CB-CZ 4.21Å; F510-P518 HydrophobicContact CD1-CB 3.89Å; F510-P518 HydrophobicContact CD1-CG 4.46Å; F510-P518 HydrophobicContact CD2-CB 4.24Å; F510-P518 HydrophobicContact CE1-CB 3.45Å; F510-P518 VanDerWaalsContact CE1-CB 3.45Å; F510-P518 HydrophobicContact CE1-CG 3.62Å; F510-P518 HydrophobicContact CE2-CB 3.8Å; F510-P518 HydrophobicContact CE2-CG 4.44Å; F510-P518 HydrophobicContact CG-CB 4.23Å; F510-P518 HydrophobicContact CZ-CB 3.33Å; F510-P518 HydrophobicContact CZ-CG 3.55Å
511D83.4Confident84.8Confident12 Ų1246.3 Ų46.36%0.06427%0.265CS..  trans-73.3-173.4165.974.8-66.9000110.5P428 N462 Y513 G514P428-D511 HydrophobicContact CG-CB 4.01Å; N462-D511 CarbonylContact O-C 3.56Å; D511-Y513 VanDerWaalsContact OD2-CA 3.31Å; D511-Y513 WeakPolarHBondContact OD2-CA 3.47Å; D511-Y513 WeakPolarHBondContact OD2-CB 3.3Å; D511-Y513 PolarHBondContact OD2-N 3.12Å; D511-G514 WeakPolarHBondContact OD1-CA 3.11Å; D511-G514 PolarHBondContact OD1-N 2.66Å; D511-G514 PolarHBondContact OD2-N 2.74Å
512I71.6Confident85.6Confident108 Ų10848 Ų4855%0.55427%0.274SS*.SBendtrans-98.8-16.7-176.5-157.6165.8000114.4N462N462-I512 HydrophobicContact CB-CB 4.39Å; N462-I512 HydrophobicContact CB-CD1 4.22Å; N462-I512 PolarHBondContact O-N 2.78Å
513Y69.8Low86Confident168 Ų16845.6 Ų45.666%0.65926%0.258SS*.SBendtrans-92.4-25.6176.6-61-58.7000112.2D511 T515D511-Y513 VanDerWaalsContact OD2-CA 3.31Å; D511-Y513 WeakPolarHBondContact OD2-CA 3.47Å; D511-Y513 WeakPolarHBondContact OD2-CB 3.3Å; D511-Y513 PolarHBondContact OD2-N 3.12Å; Y513-T515 PolarHBondContact O-N 3.49Å
514G67.3Low86.2Confident59 Ų5945.8 Ų45.861%0.60826%0.26SS*.  trans69.222.3178.900000113.3D511D511-G514 WeakPolarHBondContact OD1-CA 3.11Å; D511-G514 PolarHBondContact OD1-N 2.66Å; D511-G514 PolarHBondContact OD2-N 2.74Å
515T72.9Confident86.2Confident85 Ų8542 Ų4252%0.52124%0.237SC..  trans-77.6-40.8-178.738.90000111.6D424 Y513D424-T515 VanDerWaalsContact OD2-CB 3.24Å; D424-T515 WeakPolarHBondContact OD2-CB 3.32Å; D424-T515 WeakPolarHBondContact OD2-CG2 3.45Å; D424-T515 PolarHBondContact OD2-OG1 2.76Å; Y513-T515 PolarHBondContact O-N 3.49Å
516M78.9Confident86Confident56 Ų5645.1 Ų45.128%0.27625%0.253SS..SBendtrans-101156.4-173.2-71-64.8-69.400112.8D425 N426D425-M516 WeakPolarHBondContact O-CE 3.36Å; N426-M516 VanDerWaalsContact O-CB 3.27Å; N426-M516 WeakPolarHBondContact O-CB 3.49Å; N426-M516 VanDerWaalsContact O-CG 3.25Å; N426-M516 WeakPolarHBondContact O-CG 3.36Å
517P83.1Confident85.6Confident82 Ų8242.8 Ų42.853%0.53224%0.241SC..PPolyproline II helixtrans-61.9145.6177.6-22.834.5000111.8S427S427-P517 VanDerWaalsContact CB-O 3.25Å; S427-P517 WeakPolarHBondContact CB-O 3.25Å; S427-P517 PolarHBondContact OG-O 2.96Å
518P88.6Confident84.9Confident39 Ų3946.3 Ų46.325%0.25326%0.256SS..PPolyproline II helixtrans-70.6143.8177.628-34.8000112.6A509 F510A509-P518 CarbonylContact O-C 3.59Å; A509-P518 WeakPolarHBondContact O-CA 3.2Å; A509-P518 WeakPolarHBondContact O-CB 3.36Å; F510-P518 HydrophobicContact CD1-CB 3.89Å; F510-P518 HydrophobicContact CD1-CG 4.46Å; F510-P518 HydrophobicContact CD2-CB 4.24Å; F510-P518 HydrophobicContact CE1-CB 3.45Å; F510-P518 VanDerWaalsContact CE1-CB 3.45Å; F510-P518 HydrophobicContact CE1-CG 3.62Å; F510-P518 HydrophobicContact CE2-CB 3.8Å; F510-P518 HydrophobicContact CE2-CG 4.44Å; F510-P518 HydrophobicContact CG-CB 4.23Å; F510-P518 HydrophobicContact CZ-CB 3.33Å; F510-P518 HydrophobicContact CZ-CG 3.55Å
519G88.7Confident84.1Confident12 Ų1247 Ų4712%0.12426%0.26CS..EExtended strand (participates in β ladder)trans-61.7146.2163.900000111.2P428 E508 A509P428-G519 WeakPolarHBondContact O-CA 3.02Å; P428-G519 PolarHBondContact O-N 2.91Å; E508-G519 CarbonylContact C-O 3.58Å; E508-G519 WeakPolarHBondContact CA-O 2.97Å; A509-G519 PolarHBondContact N-O 3.19Å; A509-G519 PolarHBondContact O-N 3.47Å
520I92.2Very high83.3Confident86 Ų8649.4 Ų49.444%0.44127%0.272SS..EExtended strand (participates in β ladder)trans-129.4135.5179.5-58.2166.6000108.5L506 V507 E508L506-I520 HydrophobicContact CD2-CG2 3.81Å; V507-I520 WeakPolarHBondContact O-CA 3.09Å; E508-I520 HydrophobicContact CG-CG1 4.23Å
521A92.5Very high82.9Confident2 Ų247.9 Ų47.92%0.01727%0.266CS..EExtended strand (participates in β ladder)trans-133.9153.7168.200000111.1F430 S433 Y435 V507F430-A521 HydrophobicContact CB-CB 3.96Å; F430-A521 HydrophobicContact CD1-CB 4.29Å; F430-A521 HydrophobicContact CD2-CB 3.5Å; F430-A521 HydrophobicContact CE2-CB 3.98Å; F430-A521 HydrophobicContact CG-CB 3.67Å; S433-A521 VanDerWaalsContact O-CA 3.31Å; S433-A521 WeakPolarHBondContact O-CA 3.36Å; S433-A521 WeakPolarHBondContact O-CB 3.26Å; Y435-A521 HydrophobicContact CD2-CB 4.35Å; Y435-A521 HydrophobicContact CE2-CB 4.07Å; V507-A521 HydrophobicContact CG2-CB 3.97Å; V507-A521 WeakPolarHBondContact CG2-O 3.25Å; V507-A521 PolarHBondContact N-O 3.15Å; V507-A521 PolarHBondContact O-N 3.46Å
522T93Very high82.7Confident41 Ų4150.4 Ų50.425%0.25228%0.279SS..EExtended strand (participates in β ladder)trans-90.1144.1168.349.90000110.8S433 T434 Y435 F505 L506S433-T522 PolarHBondContact O-N 3.4Å; S433-T522 PolarHBondContact O-OG1 3.39Å; T434-T522 WeakPolarHBondContact CA-OG1 2.8Å; T434-T522 VanDerWaalsContact CG2-OG1 3.3Å; T434-T522 WeakPolarHBondContact CG2-OG1 3.22Å; Y435-T522 PolarHBondContact N-O 3.26Å; F505-T522 CarbonylContact O-C 3.58Å; F505-T522 WeakPolarHBondContact O-CA 3.05Å; L506-T522 HydrophobicContact CD2-CG2 3.5Å; L506-T522 VanDerWaalsContact CD2-CG2 3.5Å
523V93.4Very high83.2Confident0 Ų049.8 Ų49.80%027%0.271CS..EExtended strand (participates in β ladder)trans-121.7121.7167.2-1790000107.5Y435 L450 L485 T504 F505 V507 V525Y435-V523 HydrophobicContact CD2-CG2 4.39Å; Y435-V523 CarbonylContact O-C 3.59Å; Y435-V523 WeakPolarHBondContact O-CA 3.45Å; L450-V523 HydrophobicContact CD2-CG1 3.73Å; L450-V523 HydrophobicContact CD2-CG2 4.28Å; L485-V523 HydrophobicContact CD2-CG1 3.96Å; T504-V523 CarbonylContact C-O 3.26Å; T504-V523 WeakPolarHBondContact CA-O 3.48Å; F505-V523 HydrophobicContact CD1-CB 4.33Å; F505-V523 WeakPolarHBondContact CD1-O 3.49Å; F505-V523 HydrophobicContact CD2-CB 4.42Å; F505-V523 HydrophobicContact CE1-CB 3.92Å; F505-V523 HydrophobicContact CE1-CG1 3.83Å; F505-V523 HydrophobicContact CE2-CB 4.04Å; F505-V523 HydrophobicContact CE2-CG2 4.36Å; F505-V523 HydrophobicContact CZ-CB 3.78Å; F505-V523 HydrophobicContact CZ-CG1 3.79Å; F505-V523 HydrophobicContact CZ-CG2 4.4Å; F505-V523 PolarHBondContact N-O 2.89Å; F505-V523 PolarHBondContact O-N 3.41Å; V507-V523 HydrophobicContact CG1-CG2 4.01Å; V507-V523 HydrophobicContact CG2-CG2 3.99Å; V523-V525 HydrophobicContact CG1-CG2 4.15Å
524T92.1Very high84Confident27 Ų2744.1 Ų44.117%0.16625%0.254CS..EExtended strand (participates in β ladder)trans-110.5109.3174.3-61.40000108.6Y435 T436 V437 I503 T504 I526Y435-T524 PolarHBondContact O-N 2.95Å; T436-T524 WeakPolarHBondContact CA-O 3.48Å; T436-T524 HydrophobicContact CG2-CG2 4.48Å; V437-T524 PolarHBondContact N-O 2.78Å; I503-T524 WeakPolarHBondContact O-CA 3.45Å; T504-T524 WeakPolarHBondContact CG2-OG1 3.35Å; T504-T524 WeakPolarHBondContact OG1-CG2 3.35Å; T504-T524 PolarHBondContact OG1-OG1 3.48Å; T524-I526 HydrophobicContact CG2-CG1 4.16Å
525V90.8Very high85.2Confident0 Ų041.3 Ų41.30%023%0.225CC..EExtended strand (participates in β ladder)trans-93.5110.8173.3179.70000107.9V437 V439 F449 F476 L491 S502 I503 F505 V523V437-V525 HydrophobicContact CG1-CB 4.49Å; V437-V525 HydrophobicContact CG1-CG2 3.96Å; V439-V525 HydrophobicContact CB-CG1 3.93Å; V439-V525 HydrophobicContact CG2-CG1 3.64Å; F449-V525 HydrophobicContact CE2-CG2 3.72Å; F449-V525 HydrophobicContact CZ-CG2 4.04Å; F476-V525 HydrophobicContact CE1-CG1 4.33Å; F476-V525 HydrophobicContact CE1-CG2 4.15Å; F476-V525 HydrophobicContact CE2-CG2 4.14Å; F476-V525 HydrophobicContact CZ-CB 3.9Å; F476-V525 HydrophobicContact CZ-CG1 4Å; F476-V525 HydrophobicContact CZ-CG2 3.67Å; L491-V525 HydrophobicContact CD1-CG1 4.22Å; S502-V525 CarbonylContact C-O 3.43Å; S502-V525 VanDerWaalsContact CA-O 3.29Å; S502-V525 WeakPolarHBondContact CA-O 3.48Å; I503-V525 PolarHBondContact N-O 3.33Å; I503-V525 PolarHBondContact O-N 3.22Å; F505-V525 HydrophobicContact CE1-CG2 4.06Å; V523-V525 HydrophobicContact CG1-CG2 4.15Å
526I87.9Confident86.2Confident67 Ų6741.6 Ų41.634%0.34423%0.227SC..EExtended strand (participates in β ladder)trans-89.3121.9173.1-58.2176.1000107T436 V437 V438 V439 T524T436-I526 HydrophobicContact CG2-CD1 3.65Å; T436-I526 HydrophobicContact CG2-CG1 4.18Å; V437-I526 PolarHBondContact O-N 3.44Å; V438-I526 CarbonylContact C-O 3.56Å; V438-I526 WeakPolarHBondContact CA-O 3.04Å; V438-I526 HydrophobicContact CG2-CB 4.41Å; V439-I526 PolarHBondContact N-O 2.86Å; T524-I526 HydrophobicContact CG2-CG1 4.16Å
527V86.3Confident86.9Confident4 Ų439.8 Ų39.82%0.02422%0.218CC..EExtended strand (participates in β ladder)trans-82.4132.5174.9-172.30000108.6V439 E441 L491 Y493 F496 A501V439-V527 CarbonylContact O-C 3.57Å; V439-V527 WeakPolarHBondContact O-CA 3.08Å; E441-V527 HydrophobicContact CB-CG1 3.79Å; L491-V527 HydrophobicContact CB-CG1 4.26Å; L491-V527 HydrophobicContact CB-CG2 4.32Å; L491-V527 HydrophobicContact CD1-CG2 3.72Å; Y493-V527 HydrophobicContact CD2-CB 4.2Å; Y493-V527 HydrophobicContact CD2-CG1 4.11Å; Y493-V527 WeakPolarHBondContact CE2-O 3.22Å; F496-V527 HydrophobicContact CE2-CB 4.24Å; F496-V527 HydrophobicContact CE2-CG2 3.64Å; F496-V527 HydrophobicContact CZ-CG2 3.59Å; A501-V527 HydrophobicContact CB-CB 4.29Å; A501-V527 PolarHBondContact O-N 2.7Å
528K79.6Confident87.3Confident73 Ų7338.7 Ų38.732%0.31721%0.212SC..EExtended strand (participates in β ladder)trans-97.6112.8174.9168.8-179.6164.6-116.90109.6V438 V439 E440 E441 M530V438-K528 HydrophobicContact CG1-CB 3.75Å; V439-K528 PolarHBondContact O-N 3.11Å; E440-K528 HydrophobicContact CG-CB 4.4Å; E440-K528 HydrophobicContact CG-CD 3.83Å; E440-K528 HydrophobicContact CG-CG 4.39Å; E440-K528 IonicContact OE1-NZ 2.65Å; E440-K528 PolarHBondContact OE1-NZ 3.02Å; E441-K528 PolarHBondContact N-O 2.95Å; K528-M530 PolarHBondContact NZ-SD 2.64Å
529D75.7Confident87.4Confident24 Ų2442.8 Ų42.813%0.12823%0.226CC..  trans-35.7126.3158.4-174.9-44.2000112.2E441 Y493 M569E441-D529 VanDerWaalsContact OE1-CA 3.3Å; E441-D529 WeakPolarHBondContact OE1-CA 3.37Å; Y493-D529 HydrophobicContact CD1-CB 4.09Å; Y493-D529 HydrophobicContact CD2-CB 4.06Å; Y493-D529 HydrophobicContact CE1-CB 3.87Å; Y493-D529 WeakPolarHBondContact CE1-OD2 3.43Å; Y493-D529 HydrophobicContact CE2-CB 3.83Å; Y493-D529 HydrophobicContact CG-CB 4.19Å; D529-M569 HydrophobicContact CB-CE 4.35Å; D529-M569 WeakPolarHBondContact OD2-CE 3.13Å
530M73.9Confident87.5Confident49 Ų4952.7 Ų52.724%0.24126%0.26CS..  trans-140.5128.5176.8-63.9-92.250.900110.6E440 E441 K528 D532 E624E440-M530 HydrophobicContact CG-SD 4.19Å; E441-M530 HydrophobicContact CG-CB 3.98Å; E441-M530 HydrophobicContact CG-CG 4.11Å; E441-M530 PolarHBondContact OE1-N 2.99Å; K528-M530 PolarHBondContact NZ-SD 2.64Å; M530-D532 PolarHBondContact O-N 3.3Å; M530-D532 VanDerWaalsContact O-N 3.09Å; M530-E624 WeakPolarHBondContact CE-O 3.45Å
531N80.2Confident87.5Confident11 Ų1153.7 Ų53.76%0.05926%0.264CS..  trans-51.4115.1-179.6-177.6-0.5000112.4Y533 D565 A571 D621 P625 M627N531-Y533 PolarHBondContact OD1-N 3.45Å; N531-Y533 PolarHBondContact OD1-O 3Å; N531-D565 PolarHBondContact OD1-OD2 3.16Å; N531-A571 HydrophobicContact CB-CB 3.94Å; N531-D621 PolarHBondContact ND2-OD1 2.78Å; N531-D621 PolarHBondContact ND2-OD2 2.88Å; N531-P625 PolarHBondContact ND2-O 2.73Å; N531-M627 PolarHBondContact OD1-SD 3.13Å; N531-M627 VanDerWaalsContact OD1-SD 3.39Å
532D78.3Confident87.5Confident66 Ų6654.1 Ų54.135%0.35327%0.266SS..  trans-126.5-7.3170.596.8-36.6000114.5M530 M627M530-D532 PolarHBondContact O-N 3.3Å; M530-D532 VanDerWaalsContact O-N 3.09Å; D532-M627 VanDerWaalsContact C-SD 3.55Å
533Y81.7Confident87.4Confident94 Ų9460 Ų6037%0.36929%0.288SS..PPolyproline II helixtrans-100128.2175.3-69.5-75.3000112.8E494 N531 D563 A564E494-Y533 HydrophobicContact CG-CE2 4.23Å; N531-Y533 PolarHBondContact OD1-N 3.45Å; N531-Y533 PolarHBondContact OD1-O 3Å; Y533-D563 WeakPolarHBondContact CB-OD1 3.23Å; Y533-A564 HydrophobicContact CD1-CB 3.67Å; Y533-A564 HydrophobicContact CD2-CB 4.08Å; Y533-A564 HydrophobicContact CE1-CB 4.27Å; Y533-A564 HydrophobicContact CG-CB 3.61Å
534P87Confident87.2Confident49 Ų4960 Ų6032%0.31829%0.289SS..PPolyproline II helixtrans-89.2142.6174.731-31.3000112.7V536 M627P534-V536 WeakPolarHBondContact O-CG2 3.26Å; P534-V536 PolarHBondContact O-N 2.96Å; P534-M627 HydrophobicContact CB-CB 4Å; P534-M627 HydrophobicContact CB-CE 4.05Å; P534-M627 HydrophobicContact CG-CE 4.2Å
535P92.7Very high87Confident0 Ų060.8 Ų60.80%029%0.291CS..PPolyproline II helixtrans-56121178.6-23.725.2000113.5A561 D563 V574 A619 D621 S629P535-A561 HydrophobicContact CB-CB 4.5Å; P535-D563 WeakPolarHBondContact CA-OD2 3.42Å; P535-D563 WeakPolarHBondContact CB-OD2 3.29Å; P535-D563 WeakPolarHBondContact CD-OD2 3.17Å; P535-D563 WeakPolarHBondContact CG-OD2 3.46Å; P535-V574 HydrophobicContact CB-CG1 4.18Å; P535-V574 HydrophobicContact CB-CG2 4.04Å; P535-V574 HydrophobicContact CG-CG2 4.44Å; P535-A619 HydrophobicContact CB-CB 3.88Å; P535-D621 WeakPolarHBondContact CD-OD2 3.46Å; P535-D621 HydrophobicContact CG-CB 4.19Å; P535-S629 WeakPolarHBondContact O-CB 3.43Å; P535-S629 PolarHBondContact O-OG 3.32Å
536V92.8Very high86.9Confident92 Ų9260.8 Ų60.856%0.55829%0.291SS*.EExtended strand (participates in β ladder)trans-104.7113.1-174-172.50000112.5P534 S538 A561 E562P534-V536 WeakPolarHBondContact O-CG2 3.26Å; P534-V536 PolarHBondContact O-N 2.96Å; V536-S538 PolarHBondContact O-N 2.98Å; V536-A561 CarbonylContact O-C 3.53Å; V536-A561 WeakPolarHBondContact O-CA 3.45Å; V536-A561 WeakPolarHBondContact O-CB 3.44Å; V536-E562 PolarHBondContact N-O 3.06Å; V536-E562 PolarHBondContact O-N 2.65Å
537F94.4Very high86.9Confident17 Ų1757.6 Ų57.68%0.07528%0.275CS..EExtended strand (participates in β ladder)trans-61.7123.4172.6-77.8-77.7000113K539 Y542 V559 A561 Y576 V617 A619 S629 A631F537-K539 PolarHBondContact O-N 2.75Å; F537-Y542 HydrophobicContact CD1-CE2 4.05Å; F537-V559 HydrophobicContact CD1-CB 4.42Å; F537-V559 HydrophobicContact CE1-CB 3.97Å; F537-V559 HydrophobicContact CE1-CG2 4.06Å; F537-A561 HydrophobicContact CB-CB 4.47Å; F537-A561 HydrophobicContact CD1-CB 3.91Å; F537-A561 HydrophobicContact CE1-CB 4.29Å; F537-A561 HydrophobicContact CG-CB 4.05Å; F537-Y576 HydrophobicContact CE1-CD1 4.06Å; F537-Y576 AromaticContact CE1-CE1 3.89Å; F537-Y576 HydrophobicContact CE1-CE1 3.89Å; F537-Y576 HydrophobicContact CZ-CD1 4.23Å; F537-Y576 HydrophobicContact CZ-CE1 4.37Å; F537-V617 WeakPolarHBondContact CE2-O 3.48Å; F537-V617 HydrophobicContact CZ-CB 4.36Å; F537-V617 HydrophobicContact CZ-CG1 4.14Å; F537-V617 WeakPolarHBondContact CZ-O 3.32Å; F537-A619 HydrophobicContact CD2-CB 4.19Å; F537-A619 HydrophobicContact CE1-CB 4.17Å; F537-A619 HydrophobicContact CE2-CB 3.49Å; F537-A619 VanDerWaalsContact CE2-CB 3.49Å; F537-A619 HydrophobicContact CZ-CB 3.49Å; F537-A619 VanDerWaalsContact CZ-CB 3.49Å; F537-S629 WeakPolarHBondContact CD2-OG 3.31Å; F537-A631 HydrophobicContact CB-CB 3.92Å; F537-A631 HydrophobicContact CD1-CB 3.86Å; F537-A631 HydrophobicContact CD2-CB 3.53Å; F537-A631 HydrophobicContact CE1-CB 4.21Å; F537-A631 HydrophobicContact CE2-CB 3.91Å; F537-A631 HydrophobicContact CG-CB 3.49Å; F537-A631 VanDerWaalsContact CG-CB 3.49Å; F537-A631 HydrophobicContact CZ-CB 4.22Å
538S91.2Very high87Confident59 Ų5958.2 Ų58.241%0.41328%0.279SS..SBendtrans-54.5-22174.655.90000114.4V536 Y542 Y560V536-S538 PolarHBondContact O-N 2.98Å; S538-Y542 PolarHBondContact OG-OH 2.66Å; S538-Y560 WeakPolarHBondContact CB-O 3.33Å; S538-Y560 PolarHBondContact N-O 3.11Å; S538-Y560 PolarHBondContact OG-O 3.17Å
539K91Very high87.3Confident126 Ų12658.3 Ų58.355%0.54828%0.282SS..  trans-141.2130.6171.3-60.1172.9-169.7161.20110.7F537 I541 Y542F537-K539 PolarHBondContact O-N 2.75Å; K539-I541 VanDerWaalsContact C-N 3.25Å; K539-I541 PolarHBondContact O-N 2.76Å; K539-Y542 HydrophobicContact CB-CD1 4.47Å; K539-Y542 HydrophobicContact CB-CD2 4.41Å; K539-Y542 HydrophobicContact CB-CE1 4.07Å; K539-Y542 HydrophobicContact CB-CE2 4.03Å; K539-Y542 HydrophobicContact CD-CD1 4.33Å; K539-Y542 HydrophobicContact CD-CE1 4.11Å; K539-Y542 HydrophobicContact CG-CE1 4.38Å; K539-Y542 PolarHBondContact N-OH 2.84Å; K539-Y542 WeakPolarHBondContact O-CE2 3.47Å
540R90Very high87.8Confident220 Ų22057.2 Ų57.283%0.8328%0.277SS*.SBendtrans-64.7-28.2172.2-67.8-173.1176.4-143-3.3113.6T632R540-T632 PolarHBondContact O-N 3.32Å; R540-T632 VanDerWaalsContact O-N 3.12Å
541I92.4Very high88.5Confident106 Ų10657.8 Ų57.854%0.54428%0.283SS..EExtended strand (participates in β ladder)trans-134119.9178.4-56.5178.9000109.9K539 T632 R634K539-I541 VanDerWaalsContact C-N 3.25Å; K539-I541 PolarHBondContact O-N 2.76Å; I541-T632 CarbonylContact C-O 3.2Å; I541-T632 VanDerWaalsContact CA-O 3.28Å; I541-T632 WeakPolarHBondContact CA-O 3.41Å; I541-R634 HydrophobicContact CG2-CG 4.1Å
542Y92.5Very high88.9Confident11 Ų1164 Ų644%0.04331%0.31CS..EExtended strand (participates in β ladder)trans-95.4157.7170.1-65.8-96.2000110.7F537 S538 K539 V559 Y560 A631 T632 R634F537-Y542 HydrophobicContact CD1-CE2 4.05Å; S538-Y542 PolarHBondContact OG-OH 2.66Å; K539-Y542 HydrophobicContact CB-CD1 4.47Å; K539-Y542 HydrophobicContact CB-CD2 4.41Å; K539-Y542 HydrophobicContact CB-CE1 4.07Å; K539-Y542 HydrophobicContact CB-CE2 4.03Å; K539-Y542 HydrophobicContact CD-CD1 4.33Å; K539-Y542 HydrophobicContact CD-CE1 4.11Å; K539-Y542 HydrophobicContact CG-CE1 4.38Å; K539-Y542 PolarHBondContact N-OH 2.84Å; K539-Y542 WeakPolarHBondContact O-CE2 3.47Å; Y542-V559 HydrophobicContact CD1-CG1 4.31Å; Y542-V559 HydrophobicContact CD2-CB 4.46Å; Y542-V559 HydrophobicContact CD2-CG1 3.78Å; Y542-V559 HydrophobicContact CE1-CB 4.42Å; Y542-V559 HydrophobicContact CE1-CG1 4.45Å; Y542-V559 HydrophobicContact CE2-CB 4.09Å; Y542-V559 HydrophobicContact CE2-CG1 3.91Å; Y542-V559 HydrophobicContact CG-CG1 4Å; Y542-Y560 PolarHBondContact OH-N 3.12Å; Y542-Y560 PolarHBondContact OH-O 2.85Å; Y542-A631 HydrophobicContact CD2-CB 4.4Å; Y542-A631 HydrophobicContact CE2-CB 4.12Å; Y542-T632 PolarHBondContact N-O 2.85Å; Y542-R634 PolarHBondContact O-N 2.87Å
543K90.8Very high89.4Confident164 Ų16462.9 Ų62.971%0.71331%0.313SS*.EExtended strand (participates in β ladder)trans-113.7145.4169.2-64.6-178.3-177.4177.90109.1T557 R634K543-T557 WeakPolarHBondContact O-CB 3.39Å; K543-T557 PolarHBondContact O-OG1 2.83Å; K543-R634 WeakPolarHBondContact CA-O 3.48Å
544G88.9Confident89.7Confident2 Ų258.9 Ų58.92%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-143.8158.717000000110.2R634 I635 L636G544-R634 PolarHBondContact N-O 2.9Å; G544-I635 WeakPolarHBondContact O-CA 3.38Å; G544-L636 PolarHBondContact O-N 2.95Å
545M88.4Confident89.8Confident43 Ų4359 Ų5921%0.21230%0.3CS..EExtended strand (participates in β ladder)trans-129.9143.1174.1-71.8174.617900108.3L636 L638 V725 L730 V732M545-L636 CarbonylContact C-O 3.45Å; M545-L636 WeakPolarHBondContact CA-O 3.42Å; M545-L636 HydrophobicContact CG-CB 4.49Å; M545-L638 HydrophobicContact CB-CD1 4.46Å; M545-L638 HydrophobicContact CB-CD2 4.41Å; M545-L638 HydrophobicContact CB-CG 4.3Å; M545-L638 HydrophobicContact CG-CD2 4.16Å; M545-L638 HydrophobicContact SD-CD1 4.41Å; M545-L638 HydrophobicContact SD-CD2 4.07Å; M545-V725 HydrophobicContact SD-CG2 4.13Å; M545-L730 HydrophobicContact CB-CD1 4.27Å; M545-L730 HydrophobicContact CE-CD1 4.21Å; M545-L730 HydrophobicContact CG-CD1 3.75Å; M545-L730 HydrophobicContact SD-CD1 3.85Å; M545-V732 HydrophobicContact CB-CG2 3.46Å; M545-V732 VanDerWaalsContact CB-CG2 3.46Å; M545-V732 HydrophobicContact SD-CG2 4.49Å
546V90.1Very high89.7Confident0 Ų059.3 Ų59.30%030%0.301CS..EExtended strand (participates in β ladder)trans-140.6148.3-179.375.60000110.4A550 T554 I556 F590 T601 L605 I635 L636 V637 L638V546-A550 HydrophobicContact CG2-CB 3.65Å; V546-T554 HydrophobicContact CG2-CG2 4.36Å; V546-I556 HydrophobicContact CB-CD1 4.27Å; V546-I556 HydrophobicContact CB-CG1 4.27Å; V546-I556 HydrophobicContact CG2-CD1 4Å; V546-I556 HydrophobicContact CG2-CG1 4.03Å; V546-F590 HydrophobicContact CG1-CE1 4.48Å; V546-F590 HydrophobicContact CG1-CZ 4.42Å; V546-T601 HydrophobicContact CG2-CG2 4.02Å; V546-L605 HydrophobicContact CB-CD1 4.41Å; V546-L605 HydrophobicContact CG1-CD1 3.84Å; V546-L605 HydrophobicContact CG2-CD1 3.65Å; V546-I635 HydrophobicContact CB-CG2 4.07Å; V546-I635 HydrophobicContact CG1-CG2 3.74Å; V546-L636 PolarHBondContact N-O 2.99Å; V546-V637 HydrophobicContact CG1-CG2 4.07Å; V546-V637 WeakPolarHBondContact O-CA 3.42Å; V546-L638 PolarHBondContact O-N 2.82Å
547A86.7Confident89.5Confident0 Ų056.2 Ų56.20%028%0.283CS..  trans-76.9146.2172.700000110.7D549 A550 I643 V732A547-D549 WeakPolarHBondContact CB-OD1 3.36Å; A547-D549 PolarHBondContact O-N 3.49Å; A547-A550 HydrophobicContact CB-CB 4.31Å; A547-A550 VanDerWaalsContact O-CB 3.31Å; A547-A550 WeakPolarHBondContact O-CB 3.47Å; A547-A550 PolarHBondContact O-N 3.1Å; A547-I643 HydrophobicContact CB-CD1 3.59Å; A547-V732 HydrophobicContact CB-CG1 4.33Å
548P88.6Confident89.4Confident17 Ų1759.2 Ų59.211%0.1130%0.302CS..THydrogen-bonded Turntrans-65.4-20.9179.126.8-33.7000112.7L605 N606 E607 V637 L638 P640P548-L605 CarbonylContact O-C 3.56Å; P548-N606 VanDerWaalsContact O-CA 3.27Å; P548-N606 WeakPolarHBondContact O-CA 3.2Å; P548-N606 PolarHBondContact O-N 2.79Å; P548-E607 VanDerWaalsContact CB-O 3.24Å; P548-E607 WeakPolarHBondContact CB-O 3.29Å; P548-E607 PolarHBondContact O-N 3.07Å; P548-V637 HydrophobicContact CB-CG1 3.73Å; P548-V637 HydrophobicContact CG-CG1 4.48Å; P548-L638 WeakPolarHBondContact CD-O 3.18Å; P548-P640 HydrophobicContact CG-CG 3.94Å
549D85.9Confident89.6Confident74 Ų7456.5 Ų56.540%0.39628%0.283SS..THydrogen-bonded Turntrans-105.914.2179.376.3-35.7000113.8A547 V551 S734A547-D549 WeakPolarHBondContact CB-OD1 3.36Å; A547-D549 PolarHBondContact O-N 3.49Å; D549-V551 PolarHBondContact O-N 3.16Å; D549-S734 PolarHBondContact OD1-OG 2.98Å; D549-S734 PolarHBondContact OD2-OG 2.69Å
550A86.4Confident89.7Confident1 Ų156.3 Ų56.31%0.00828%0.28CS..PPolyproline II helixtrans-57.1127.8-174.200000112.2V546 A547 T554 T601 N604 L605V546-A550 HydrophobicContact CG2-CB 3.65Å; A547-A550 HydrophobicContact CB-CB 4.31Å; A547-A550 VanDerWaalsContact O-CB 3.31Å; A547-A550 WeakPolarHBondContact O-CB 3.47Å; A547-A550 PolarHBondContact O-N 3.1Å; A550-T554 HydrophobicContact CB-CG2 3.98Å; A550-T601 HydrophobicContact CB-CG2 4.11Å; A550-N604 CarbonylContact O-C 3.28Å; A550-N604 WeakPolarHBondContact O-CA 3.43Å; A550-L605 HydrophobicContact CB-CB 4.48Å; A550-L605 HydrophobicContact CB-CD1 4.14Å; A550-L605 HydrophobicContact CB-CG 4.28Å; A550-L605 PolarHBondContact O-N 2.85Å
551V87.5Confident89.8Confident61 Ų6146 Ų4637%0.3724%0.242SC..PPolyproline II helixtrans-69.6158.9175.9-64.50000111D549 G553 T554 T601 N604D549-V551 PolarHBondContact O-N 3.16Å; V551-G553 PolarHBondContact O-N 3.27Å; V551-T554 WeakPolarHBondContact O-CB 3.46Å; V551-T554 PolarHBondContact O-N 3.09Å; V551-T554 PolarHBondContact O-OG1 2.8Å; V551-T601 PolarHBondContact O-OG1 2.94Å; V551-N604 WeakPolarHBondContact CA-OD1 3.48Å
552K90Very high89.7Confident143 Ų14346.1 Ų46.162%0.62224%0.24SC*.THydrogen-bonded Turntrans-54.7133.3170.6178.7174.9-178.3168.60110.7T601 R602 V603 N604K552-T601 WeakPolarHBondContact CA-OG1 3.36Å; K552-R602 WeakPolarHBondContact CD-O 3.48Å; K552-R602 WeakPolarHBondContact CE-O 3.33Å; K552-R602 WeakPolarHBondContact CG-O 3.41Å; K552-V603 WeakPolarHBondContact CA-O 3.41Å; K552-N604 PolarHBondContact N-OD1 2.85Å
553G88.4Confident89.5Confident42 Ų4247 Ų4743%0.43325%0.245SC..THydrogen-bonded Turntrans87.23.9-178.700000115.1V551 P555 T601V551-G553 PolarHBondContact O-N 3.27Å; G553-P555 WeakPolarHBondContact O-CD 3.5Å; G553-T601 PolarHBondContact N-O 2.61Å; G553-T601 PolarHBondContact N-OG1 3.43Å
554T87.6Confident89.2Confident10 Ų1042.4 Ų42.46%0.06124%0.238CC..  trans-61.2121.1169.5-81.90000109.5V546 A550 V551 V600 T601 P733V546-T554 HydrophobicContact CG2-CG2 4.36Å; A550-T554 HydrophobicContact CB-CG2 3.98Å; V551-T554 WeakPolarHBondContact O-CB 3.46Å; V551-T554 PolarHBondContact O-N 3.09Å; V551-T554 PolarHBondContact O-OG1 2.8Å; T554-V600 WeakPolarHBondContact O-CA 3.44Å; T554-T601 HydrophobicContact CG2-CG2 4.49Å; T554-T601 PolarHBondContact N-OG1 3.42Å; T554-T601 PolarHBondContact O-N 2.62Å; T554-T601 VanDerWaalsContact O-N 3.09Å; T554-P733 HydrophobicContact CG2-CG 4.19Å
555P89.4Confident88.8Confident52 Ų5242.6 Ų42.634%0.33824%0.238SC..EExtended strand (participates in β ladder)trans-75.5143.7174.531.8-34.8000111.2G553 P733G553-P555 WeakPolarHBondContact O-CD 3.5Å; P555-P733 HydrophobicContact CG-CG 4.11Å
556I90Very high88.2Confident5 Ų541.4 Ų41.43%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-119.6-44.9-171.5-64.4171.7000111.7V546 F590 V599 T601 I635V546-I556 HydrophobicContact CB-CD1 4.27Å; V546-I556 HydrophobicContact CB-CG1 4.27Å; V546-I556 HydrophobicContact CG2-CD1 4Å; V546-I556 HydrophobicContact CG2-CG1 4.03Å; I556-F590 HydrophobicContact CD1-CD1 3.33Å; I556-F590 HydrophobicContact CD1-CE1 3.35Å; I556-F590 HydrophobicContact CD1-CG 4.45Å; I556-F590 HydrophobicContact CD1-CZ 4.48Å; I556-V599 HydrophobicContact CB-CG1 4.49Å; I556-V599 PolarHBondContact N-O 3.15Å; I556-T601 HydrophobicContact CD1-CG2 4.03Å; I556-I635 HydrophobicContact CD1-CD1 4.25Å; I556-I635 HydrophobicContact CD1-CG2 4.36Å; I556-I635 HydrophobicContact CG2-CD1 4.33Å; I556-I635 HydrophobicContact CG2-CG1 4.12Å; I556-I635 HydrophobicContact CG2-CG2 3.93Å
557T90.4Very high87.6Confident28 Ų2846.9 Ų46.917%0.17227%0.27CS..EExtended strand (participates in β ladder)trans-168.2173.1178.8-161.50000108.9K543 V599 V633K543-T557 WeakPolarHBondContact O-CB 3.39Å; K543-T557 PolarHBondContact O-OG1 2.83Å; T557-V599 HydrophobicContact CG2-CB 4.05Å; T557-V599 HydrophobicContact CG2-CG2 3.91Å; T557-V599 PolarHBondContact O-N 3.17Å; T557-V633 HydrophobicContact CG2-CG1 3.65Å
558T91.7Very high87.1Confident79 Ų7950.6 Ų50.649%0.48531%0.308SS..EExtended strand (participates in β ladder)trans-121127.5173.7-52.80000109.1G597 R598T558-G597 WeakPolarHBondContact CA-O 3.33Å; T558-R598 HydrophobicContact CG2-CG 4.3Å
559V94.2Very high86.5Confident2 Ų253.2 Ų53.21%0.01232%0.319CS..  trans-89.3154.1167.1-59.50000109.8F537 Y542 Y576 V592 G597 V599 V617 V633F537-V559 HydrophobicContact CD1-CB 4.42Å; F537-V559 HydrophobicContact CE1-CB 3.97Å; F537-V559 HydrophobicContact CE1-CG2 4.06Å; Y542-V559 HydrophobicContact CD1-CG1 4.31Å; Y542-V559 HydrophobicContact CD2-CB 4.46Å; Y542-V559 HydrophobicContact CD2-CG1 3.78Å; Y542-V559 HydrophobicContact CE1-CB 4.42Å; Y542-V559 HydrophobicContact CE1-CG1 4.45Å; Y542-V559 HydrophobicContact CE2-CB 4.09Å; Y542-V559 HydrophobicContact CE2-CG1 3.91Å; Y542-V559 HydrophobicContact CG-CG1 4Å; V559-Y576 HydrophobicContact CG2-CD1 3.8Å; V559-Y576 HydrophobicContact CG2-CE1 4.03Å; V559-Y576 HydrophobicContact CG2-CG 4.25Å; V559-V592 HydrophobicContact CG2-CG2 4.18Å; V559-G597 WeakPolarHBondContact CG2-O 3.47Å; V559-G597 PolarHBondContact N-O 3.46Å; V559-V599 HydrophobicContact CG1-CG2 4.06Å; V559-V617 HydrophobicContact CG2-CG1 4.15Å; V559-V633 HydrophobicContact CG1-CG2 3.74Å
560Y93.3Very high86.4Confident122 Ų12253.4 Ų53.448%0.47832%0.324SS..  trans-152.7120-178.1173.9-109.6000109.4S538 Y542 E562S538-Y560 WeakPolarHBondContact CB-O 3.33Å; S538-Y560 PolarHBondContact N-O 3.11Å; S538-Y560 PolarHBondContact OG-O 3.17Å; Y542-Y560 PolarHBondContact OH-N 3.12Å; Y542-Y560 PolarHBondContact OH-O 2.85Å; Y560-E562 HydrophobicContact CD1-CG 4.29Å; Y560-E562 VanDerWaalsContact CE1-CD 3.49Å; Y560-E562 HydrophobicContact CE1-CG 3.38Å; Y560-E562 WeakPolarHBondContact CE1-OE1 3.26Å; Y560-E562 HydrophobicContact CE2-CG 4.36Å; Y560-E562 VanDerWaalsContact CZ-CG 3.42Å; Y560-E562 VanDerWaalsContact OH-CG 3.28Å; Y560-E562 WeakPolarHBondContact OH-CG 3.44Å; Y560-E562 PolarHBondContact OH-OE1 3.04Å
561A92.7Very high86.1Confident4 Ų453.6 Ų53.63%0.03333%0.326CS..EExtended strand (participates in β ladder)trans-116.1147.9170.300000109.6P535 V536 F537 V574 Y576 A619P535-A561 HydrophobicContact CB-CB 4.5Å; V536-A561 CarbonylContact O-C 3.53Å; V536-A561 WeakPolarHBondContact O-CA 3.45Å; V536-A561 WeakPolarHBondContact O-CB 3.44Å; F537-A561 HydrophobicContact CB-CB 4.47Å; F537-A561 HydrophobicContact CD1-CB 3.91Å; F537-A561 HydrophobicContact CE1-CB 4.29Å; F537-A561 HydrophobicContact CG-CB 4.05Å; A561-V574 HydrophobicContact CB-CG1 4.04Å; A561-Y576 HydrophobicContact CB-CE1 4.16Å; A561-Y576 PolarHBondContact N-OH 3.32Å; A561-Y576 PolarHBondContact O-OH 3.06Å; A561-A619 HydrophobicContact CB-CB 3.76Å
562E90.1Very high86Confident108 Ų10851.9 Ų51.951%0.50532%0.317SS..EExtended strand (participates in β ladder)trans-112.3137.2177.6-67.6177.6143.600107.9V536 Y560V536-E562 PolarHBondContact N-O 3.06Å; V536-E562 PolarHBondContact O-N 2.65Å; Y560-E562 HydrophobicContact CD1-CG 4.29Å; Y560-E562 VanDerWaalsContact CE1-CD 3.49Å; Y560-E562 HydrophobicContact CE1-CG 3.38Å; Y560-E562 WeakPolarHBondContact CE1-OE1 3.26Å; Y560-E562 HydrophobicContact CE2-CG 4.36Å; Y560-E562 VanDerWaalsContact CZ-CG 3.42Å; Y560-E562 VanDerWaalsContact OH-CG 3.28Å; Y560-E562 WeakPolarHBondContact OH-CG 3.44Å; Y560-E562 PolarHBondContact OH-OE1 3.04Å
563D88Confident85.9Confident30 Ų3049.7 Ų49.716%0.1631%0.305CS..  trans-95.6157.9162.9-131.1-56.2000111.5Y533 P535 V574Y533-D563 WeakPolarHBondContact CB-OD1 3.23Å; P535-D563 WeakPolarHBondContact CA-OD2 3.42Å; P535-D563 WeakPolarHBondContact CB-OD2 3.29Å; P535-D563 WeakPolarHBondContact CD-OD2 3.17Å; P535-D563 WeakPolarHBondContact CG-OD2 3.46Å; D563-V574 HydrophobicContact CB-CG2 4.03Å
564A85.1Confident86.1Confident67 Ų6748.8 Ų48.855%0.55429%0.291SS*.  trans-103.5-12.5177.200000113.1Y533Y533-A564 HydrophobicContact CD1-CB 3.67Å; Y533-A564 HydrophobicContact CD2-CB 4.08Å; Y533-A564 HydrophobicContact CE1-CB 4.27Å; Y533-A564 HydrophobicContact CG-CB 3.61Å
565D80.8Confident86.4Confident6 Ų651 Ų513%0.03230%0.298CS..SBendtrans-53155.5170.1-69.1-30.6000113.1N531 A571 S572N531-D565 PolarHBondContact OD1-OD2 3.16Å; D565-A571 HydrophobicContact CB-CB 4.02Å; D565-A571 WeakPolarHBondContact OD2-CA 3.38Å; D565-A571 WeakPolarHBondContact OD2-CB 3.48Å; D565-S572 WeakPolarHBondContact O-CB 3.36Å
566P74.8Confident86.7Confident18 Ų1849.2 Ų49.212%0.11729%0.285CS..PPolyproline II helixtrans-51.6122.4177.3-29.536.5000113.9Y493 G568 M569 S572Y493-P566 HydrophobicContact CD1-CG 4.36Å; Y493-P566 HydrophobicContact CE1-CG 4.04Å; P566-G568 PolarHBondContact O-N 3.24Å; P566-M569 HydrophobicContact CB-CG 4.25Å; P566-M569 PolarHBondContact O-N 2.63Å; P566-S572 WeakPolarHBondContact O-CB 3.19Å; P566-S572 PolarHBondContact O-OG 2.92Å
567P77.8Confident86.8Confident116 Ų11654.6 Ų54.675%0.75331%0.305SS*.THydrogen-bonded Turntrans-68.7122.4-17025.4-34.5000112.4S572P567-S572 WeakPolarHBondContact CA-OG 3.08Å
568G75.7Confident87Confident77 Ų7754.4 Ų54.479%0.79430%0.303SS*.THydrogen-bonded Turntrans112.3-11.7-17800000114.1P566 S572P566-G568 PolarHBondContact O-N 3.24Å; G568-S572 PolarHBondContact N-OG 3.43Å
569M75.8Confident87Confident73 Ų7351.5 Ų51.536%0.3629%0.285SS..SBendtrans-73.9160.5167.3-65.8-53.6-149.900112D529 P566 A571 S572D529-M569 HydrophobicContact CB-CE 4.35Å; D529-M569 WeakPolarHBondContact OD2-CE 3.13Å; P566-M569 HydrophobicContact CB-CG 4.25Å; P566-M569 PolarHBondContact O-N 2.63Å; M569-A571 HydrophobicContact CB-CB 4.43Å; M569-A571 PolarHBondContact O-N 3.27Å; M569-S572 PolarHBondContact N-OG 2.97Å; M569-S572 PolarHBondContact O-N 2.98Å; M569-S572 PolarHBondContact O-OG 3.07Å; M569-S572 VanDerWaalsContact O-OG 3.09Å
570P83.8Confident86.6Confident77 Ų7756.3 Ų56.350%0.531%0.311SS..SBendtrans-59.3-34.2169.3-23.635.1000112.9R573 D622P570-R573 WeakPolarHBondContact O-CB 3.29Å; P570-R573 PolarHBondContact O-N 3.21Å; P570-R573 VanDerWaalsContact O-N 3.09Å; P570-D622 HydrophobicContact CB-CB 3.88Å; P570-D622 WeakPolarHBondContact CB-O 3.47Å; P570-D622 CarbonylContact O-C 3.58Å; P570-D622 WeakPolarHBondContact O-CA 3.31Å; P570-D622 WeakPolarHBondContact O-CB 3.34Å; P570-D622 PolarHBondContact O-N 2.97Å; P570-D622 VanDerWaalsContact O-N 3.08Å
571A81.5Confident86.2Confident6 Ų656.4 Ų56.45%0.0532%0.324CS..THydrogen-bonded Turntrans-58.6-51.8176.600000110.9N531 D565 M569 R573 D621N531-A571 HydrophobicContact CB-CB 3.94Å; D565-A571 HydrophobicContact CB-CB 4.02Å; D565-A571 WeakPolarHBondContact OD2-CA 3.38Å; D565-A571 WeakPolarHBondContact OD2-CB 3.48Å; M569-A571 HydrophobicContact CB-CB 4.43Å; M569-A571 PolarHBondContact O-N 3.27Å; A571-R573 PolarHBondContact O-N 3.1Å; A571-D621 WeakPolarHBondContact O-CB 3.41Å
572S84.8Confident85.8Confident25 Ų2562.1 Ų62.118%0.17535%0.35CS..THydrogen-bonded Turntrans-67.60.4174.158.70000116.3D565 P566 P567 G568 M569 V574D565-S572 WeakPolarHBondContact O-CB 3.36Å; P566-S572 WeakPolarHBondContact O-CB 3.19Å; P566-S572 PolarHBondContact O-OG 2.92Å; P567-S572 WeakPolarHBondContact CA-OG 3.08Å; G568-S572 PolarHBondContact N-OG 3.43Å; M569-S572 PolarHBondContact N-OG 2.97Å; M569-S572 PolarHBondContact O-N 2.98Å; M569-S572 PolarHBondContact O-OG 3.07Å; M569-S572 VanDerWaalsContact O-OG 3.09Å; S572-V574 PolarHBondContact O-N 3.3Å
573R88.8Confident85.7Confident96 Ų9660.2 Ų60.236%0.36234%0.34SS..  trans-91.585.6-177.8-170.3176.5167.8-133.5-0.5112.6P570 A571 R575 D595 D621 D622P570-R573 WeakPolarHBondContact O-CB 3.29Å; P570-R573 PolarHBondContact O-N 3.21Å; P570-R573 VanDerWaalsContact O-N 3.09Å; A571-R573 PolarHBondContact O-N 3.1Å; R573-R575 PolarHBondContact O-N 2.94Å; R573-D595 IonicContact CZ-OD1 2.95Å; R573-D595 IonicContact NE-OD1 3.9Å; R573-D595 IonicContact NH2-OD1 3.87Å; R573-D595 PolarHBondContact NH2-OD1 3.38Å; R573-D621 WeakPolarHBondContact O-CA 3.38Å; R573-D622 WeakPolarHBondContact CD-OD2 3.47Å; R573-D622 IonicContact CZ-OD2 2.64Å; R573-D622 IonicContact NE-OD2 2.66Å; R573-D622 IonicContact NH1-OD2 3.66Å; R573-D622 PolarHBondContact NH1-OD2 2.83Å
574V91.8Very high85.8Confident23 Ų2362.8 Ų62.814%0.13936%0.358CS..  trans-61.6127.6171.9-173.50000112.6P535 A561 D563 S572 Y576 A619P535-V574 HydrophobicContact CB-CG1 4.18Å; P535-V574 HydrophobicContact CB-CG2 4.04Å; P535-V574 HydrophobicContact CG-CG2 4.44Å; A561-V574 HydrophobicContact CB-CG1 4.04Å; D563-V574 HydrophobicContact CB-CG2 4.03Å; S572-V574 PolarHBondContact O-N 3.3Å; V574-Y576 HydrophobicContact CG1-CE1 3.9Å; V574-Y576 HydrophobicContact CG1-CE2 4.34Å; V574-A619 HydrophobicContact CG1-CB 4Å
575R93.4Very high86.2Confident56 Ų5665.5 Ų65.521%0.21136%0.355CS..EExtended strand (participates in β ladder)trans-121.2158.7167.4-56.3-163.1-164.2-168.714.6111.9R573 E594 A619 F620 D622R573-R575 PolarHBondContact O-N 2.94Å; R575-E594 WeakPolarHBondContact CA-O 3.33Å; R575-E594 HydrophobicContact CB-CG 4.26Å; R575-E594 VanDerWaalsContact CD-OE1 3.28Å; R575-E594 WeakPolarHBondContact CD-OE1 3.06Å; R575-E594 IonicContact CZ-OE1 2.73Å; R575-E594 IonicContact NE-OE1 2.83Å; R575-E594 IonicContact NH1-OE1 3.32Å; R575-E594 PolarHBondContact NH1-OE1 2.64Å; R575-A619 WeakPolarHBondContact O-CA 3.37Å; R575-F620 HydrophobicContact CB-CD1 4.3Å; R575-F620 HydrophobicContact CB-CD2 4.4Å; R575-F620 HydrophobicContact CB-CE1 3.78Å; R575-F620 HydrophobicContact CB-CE2 3.9Å; R575-F620 HydrophobicContact CB-CZ 3.57Å; R575-F620 HydrophobicContact CG-CE2 4.41Å; R575-F620 HydrophobicContact CG-CZ 4.42Å; R575-F620 PolarHBondContact N-O 3.44Å; R575-F620 WeakPolarHBondContact O-CD1 3.18Å; R575-F620 PolarHBondContact O-N 2.68Å; R575-D622 IonicContact CZ-OD1 3.47Å; R575-D622 IonicContact CZ-OD2 3.12Å; R575-D622 VanDerWaalsContact CZ-OD2 3.32Å; R575-D622 VanDerWaalsContact NE-CG 3.31Å; R575-D622 IonicContact NE-OD1 2.66Å; R575-D622 PolarHBondContact NE-OD1 2.87Å; R575-D622 IonicContact NE-OD2 3.68Å; R575-D622 PolarHBondContact NE-OD2 2.61Å; R575-D622 IonicContact NH2-OD1 3.49Å; R575-D622 PolarHBondContact NH2-OD1 2.69Å; R575-D622 IonicContact NH2-OD2 2.94Å; R575-D622 PolarHBondContact NH2-OD2 3.18Å
576Y95.2Very high86.7Confident16 Ų1665.7 Ų65.76%0.06336%0.357CS..EExtended strand (participates in β ladder)trans-119.5138.5-176.7-54.6-77000113.2F537 V559 A561 V574 V592 E594 G597 V617 V618 A619F537-Y576 HydrophobicContact CE1-CD1 4.06Å; F537-Y576 AromaticContact CE1-CE1 3.89Å; F537-Y576 HydrophobicContact CE1-CE1 3.89Å; F537-Y576 HydrophobicContact CZ-CD1 4.23Å; F537-Y576 HydrophobicContact CZ-CE1 4.37Å; V559-Y576 HydrophobicContact CG2-CD1 3.8Å; V559-Y576 HydrophobicContact CG2-CE1 4.03Å; V559-Y576 HydrophobicContact CG2-CG 4.25Å; A561-Y576 HydrophobicContact CB-CE1 4.16Å; A561-Y576 PolarHBondContact N-OH 3.32Å; A561-Y576 PolarHBondContact O-OH 3.06Å; V574-Y576 HydrophobicContact CG1-CE1 3.9Å; V574-Y576 HydrophobicContact CG1-CE2 4.34Å; Y576-V592 HydrophobicContact CG-CG2 4.42Å; Y576-E594 WeakPolarHBondContact CD2-O 3.16Å; Y576-E594 PolarHBondContact N-O 2.93Å; Y576-G597 VanDerWaalsContact CD2-CA 3.46Å; Y576-V617 HydrophobicContact CD1-CG1 4.44Å; Y576-V618 WeakPolarHBondContact CA-O 3.27Å; Y576-A619 HydrophobicContact CD1-CB 4.21Å; Y576-A619 HydrophobicContact CE1-CB 4.13Å
577R94.1Very high87.5Confident118 Ų11865 Ų6545%0.44535%0.352SS..EExtended strand (participates in β ladder)trans-142155.4169.765-179-178.378.9-3.1112V617 V618 F620R577-V617 WeakPolarHBondContact O-CA 3.26Å; R577-V617 WeakPolarHBondContact O-CG1 3.44Å; R577-V618 HydrophobicContact CG-CB 3.92Å; R577-V618 PolarHBondContact N-O 2.76Å; R577-V618 PolarHBondContact O-N 3.32Å; R577-F620 HydrophobicContact CB-CE1 3.99Å; R577-F620 HydrophobicContact CG-CD1 3.99Å; R577-F620 HydrophobicContact CG-CE1 3.73Å
578V94Very high88.2Confident23 Ų2362.1 Ų62.114%0.13934%0.335CS..EExtended strand (participates in β ladder)trans-76.2150.6170.4-620000111.4A587 V592 L615V578-A587 HydrophobicContact CB-CB 4.34Å; V578-A587 HydrophobicContact CG2-CB 4.2Å; V578-V592 HydrophobicContact CG1-CG1 4.25Å; V578-L615 HydrophobicContact CB-CD1 4.24Å; V578-L615 HydrophobicContact CG1-CD1 3.86Å; V578-L615 HydrophobicContact CG1-CD2 4.17Å; V578-L615 HydrophobicContact CG1-CG 4.3Å
579D90.5Very high89.1Confident19 Ų1959 Ų5910%0.10230%0.3CS..EExtended strand (participates in β ladder)trans-104.3120.3165.7170.741.6000109.8V581 V616 V618D579-V581 VanDerWaalsContact OD1-CB 3.29Å; D579-V581 WeakPolarHBondContact OD1-CB 3.26Å; D579-V581 WeakPolarHBondContact OD1-CG2 3.07Å; D579-V581 PolarHBondContact OD1-N 2.79Å; D579-V616 HydrophobicContact CB-CB 3.99Å; D579-V616 HydrophobicContact CB-CG1 3.79Å; D579-V616 PolarHBondContact N-O 2.79Å; D579-V618 HydrophobicContact CB-CG2 4.05Å
580D87.1Confident90Very high103 Ų10355.5 Ų55.555%0.55128%0.283SS*.  trans-95.9-9.8177.764.4-16.2000113.3P584 A587D580-P584 WeakPolarHBondContact O-CA 3.5Å; D580-P584 WeakPolarHBondContact O-CB 3.36Å; D580-P584 WeakPolarHBondContact O-CD 3.42Å; D580-A587 HydrophobicContact CB-CB 3.79Å
581V83.9Confident90.5Very high124 Ų12453.9 Ų53.975%0.75227%0.27SS*.SBendtrans-66.8-42-176.2-178.90000111.7D579D579-V581 VanDerWaalsContact OD1-CB 3.29Å; D579-V581 WeakPolarHBondContact OD1-CB 3.26Å; D579-V581 WeakPolarHBondContact OD1-CG2 3.07Å; D579-V581 PolarHBondContact OD1-N 2.79Å
582Q83.7Confident91.1Very high124 Ų12454.1 Ų54.158%0.57927%0.271SS*.SBendtrans-86.9-37-179.5-63.6-175.342.800113.7
583F89.7Confident91.6Very high68 Ų6856 Ų5630%0.29828%0.277SS..  trans-141.671.4-171.3-62.8-75.3000111.6Y585 P586 A587 K614 V616F583-Y585 VanDerWaalsContact C-N 3.34Å; F583-Y585 PolarHBondContact O-N 3.46Å; F583-P586 HydrophobicContact CB-CB 4.48Å; F583-P586 HydrophobicContact CB-CG 4.09Å; F583-P586 WeakPolarHBondContact O-CD 3.29Å; F583-A587 PolarHBondContact O-N 3.38Å; F583-K614 WeakPolarHBondContact CB-O 3.44Å; F583-K614 HydrophobicContact CD1-CB 4.42Å; F583-K614 HydrophobicContact CD2-CB 4.37Å; F583-K614 HydrophobicContact CE1-CB 4.45Å; F583-K614 HydrophobicContact CE1-CD 4.1Å; F583-K614 HydrophobicContact CE2-CB 4.4Å; F583-K614 HydrophobicContact CE2-CD 4.42Å; F583-K614 HydrophobicContact CG-CB 4.39Å; F583-K614 HydrophobicContact CZ-CB 4.44Å; F583-K614 HydrophobicContact CZ-CD 3.88Å; F583-V616 HydrophobicContact CD2-CG2 3.81Å; F583-V616 HydrophobicContact CE2-CG2 4.14Å
584P90.3Very high91.7Very high84 Ų8455.8 Ų55.855%0.54528%0.28SS..Hα-helixtrans-64.7-32-171.822.7-33.2000113.8D580 A587 S588D580-P584 WeakPolarHBondContact O-CA 3.5Å; D580-P584 WeakPolarHBondContact O-CB 3.36Å; D580-P584 WeakPolarHBondContact O-CD 3.42Å; P584-A587 PolarHBondContact O-N 2.94Å; P584-S588 WeakPolarHBondContact O-CB 3.11Å; P584-S588 PolarHBondContact O-N 3.03Å
585Y92.2Very high91.7Very high123 Ų12359.8 Ų59.848%0.48230%0.301SS..Hα-helixtrans-65.8-54179.1-173-98.9000112.1F583 A587 S588 I589 E607 F613F583-Y585 VanDerWaalsContact C-N 3.34Å; F583-Y585 PolarHBondContact O-N 3.46Å; Y585-A587 VanDerWaalsContact C-N 3.32Å; Y585-A587 PolarHBondContact O-N 3.39Å; Y585-S588 WeakPolarHBondContact O-CB 3.35Å; Y585-S588 PolarHBondContact O-N 2.87Å; Y585-S588 PolarHBondContact O-OG 3.12Å; Y585-I589 HydrophobicContact CD1-CD1 4.24Å; Y585-I589 HydrophobicContact CE1-CD1 3.77Å; Y585-I589 HydrophobicContact CE1-CG2 4.5Å; Y585-I589 HydrophobicContact CE2-CG2 4.45Å; Y585-I589 PolarHBondContact O-N 3.4Å; Y585-E607 PolarHBondContact OH-OE1 2.97Å; Y585-F613 HydrophobicContact CD1-CD1 4.47Å; Y585-F613 AromaticContact CD1-CE1 3.91Å; Y585-F613 HydrophobicContact CD1-CE1 3.91Å; Y585-F613 AromaticContact CE1-CE1 3.78Å; Y585-F613 HydrophobicContact CE1-CE1 3.78Å; Y585-F613 HydrophobicContact CE1-CZ 4.22Å
586P92.6Very high91.6Very high11 Ų1159.4 Ų59.47%0.07131%0.306CS..Hα-helixtrans-49.6-44.7168.6-32.237.3000114.8F583 S588 I589 F590 F613 K614 L615F583-P586 HydrophobicContact CB-CB 4.48Å; F583-P586 HydrophobicContact CB-CG 4.09Å; F583-P586 WeakPolarHBondContact O-CD 3.29Å; P586-S588 PolarHBondContact O-N 2.72Å; P586-I589 PolarHBondContact O-N 2.92Å; P586-F590 HydrophobicContact CB-CD2 4.45Å; P586-F590 WeakPolarHBondContact O-CD2 3.4Å; P586-F590 PolarHBondContact O-N 2.83Å; P586-F613 HydrophobicContact CB-CB 4.45Å; P586-F613 HydrophobicContact CG-CB 4.15Å; P586-F613 HydrophobicContact CG-CD1 4.11Å; P586-K614 WeakPolarHBondContact CB-O 3.09Å; P586-K614 WeakPolarHBondContact CG-O 3.41Å; P586-L615 HydrophobicContact CB-CB 4.43Å; P586-L615 HydrophobicContact CB-CD1 4.19Å
587A91.4Very high91.4Very high3 Ų358.6 Ų58.63%0.02530%0.303CS..Hα-helixtrans-70.1-14.1178.800000114.2V578 D580 F583 P584 Y585 R602 L615V578-A587 HydrophobicContact CB-CB 4.34Å; V578-A587 HydrophobicContact CG2-CB 4.2Å; D580-A587 HydrophobicContact CB-CB 3.79Å; F583-A587 PolarHBondContact O-N 3.38Å; P584-A587 PolarHBondContact O-N 2.94Å; Y585-A587 VanDerWaalsContact C-N 3.32Å; Y585-A587 PolarHBondContact O-N 3.39Å; A587-R602 PolarHBondContact O-NH1 3.08Å; A587-L615 HydrophobicContact CB-CD1 4.31Å
588S92Very high91.4Very high56 Ų5657.6 Ų57.639%0.39230%0.299SS..Hα-helixtrans-86.6-28.3173.575.80000113.4P584 Y585 P586 R602P584-S588 WeakPolarHBondContact O-CB 3.11Å; P584-S588 PolarHBondContact O-N 3.03Å; Y585-S588 WeakPolarHBondContact O-CB 3.35Å; Y585-S588 PolarHBondContact O-N 2.87Å; Y585-S588 PolarHBondContact O-OG 3.12Å; P586-S588 PolarHBondContact O-N 2.72Å; S588-R602 WeakPolarHBondContact O-CD 3.26Å
589I93.6Very high91.4Very high10 Ų1056.5 Ų56.55%0.05129%0.293CS..Hα-helixtrans-105.8-19.3-176.265.7173000114.2Y585 P586 R602 V603 L605 F613Y585-I589 HydrophobicContact CD1-CD1 4.24Å; Y585-I589 HydrophobicContact CE1-CD1 3.77Å; Y585-I589 HydrophobicContact CE1-CG2 4.5Å; Y585-I589 HydrophobicContact CE2-CG2 4.45Å; Y585-I589 PolarHBondContact O-N 3.4Å; P586-I589 PolarHBondContact O-N 2.92Å; I589-R602 PolarHBondContact O-N 3.21Å; I589-V603 HydrophobicContact CB-CG2 3.95Å; I589-V603 HydrophobicContact CG2-CG2 3.95Å; I589-L605 HydrophobicContact CB-CD2 4.11Å; I589-L605 HydrophobicContact CD1-CD2 4.33Å; I589-F613 HydrophobicContact CD1-CD1 4.45Å; I589-F613 HydrophobicContact CD1-CD2 4.42Å; I589-F613 HydrophobicContact CD1-CE1 4.06Å; I589-F613 HydrophobicContact CD1-CE2 4Å; I589-F613 HydrophobicContact CD1-CZ 3.81Å
590F95.1Very high91.5Very high0 Ų056.3 Ų56.30%029%0.292CS..EExtended strand (participates in β ladder)trans-117.6159.2173.6-56.5-66000111.6V546 I556 P586 V600 T601 L605 F613 L615 I635V546-F590 HydrophobicContact CG1-CE1 4.48Å; V546-F590 HydrophobicContact CG1-CZ 4.42Å; I556-F590 HydrophobicContact CD1-CD1 3.33Å; I556-F590 HydrophobicContact CD1-CE1 3.35Å; I556-F590 HydrophobicContact CD1-CG 4.45Å; I556-F590 HydrophobicContact CD1-CZ 4.48Å; P586-F590 HydrophobicContact CB-CD2 4.45Å; P586-F590 WeakPolarHBondContact O-CD2 3.4Å; P586-F590 PolarHBondContact O-N 2.83Å; F590-V600 CarbonylContact C-O 3.57Å; F590-V600 WeakPolarHBondContact CA-O 3.37Å; F590-T601 HydrophobicContact CD1-CG2 4.3Å; F590-T601 HydrophobicContact CE1-CG2 4.17Å; F590-L605 HydrophobicContact CE1-CD1 4.01Å; F590-L605 HydrophobicContact CE1-CD2 4.48Å; F590-L605 HydrophobicContact CZ-CD1 4.25Å; F590-F613 HydrophobicContact CE2-CB 3.93Å; F590-F613 AromaticContact CE2-CD2 3.5Å; F590-F613 HydrophobicContact CE2-CD2 3.5Å; F590-F613 VanDerWaalsContact CE2-CD2 3.5Å; F590-F613 HydrophobicContact CE2-CE2 4.15Å; F590-F613 AromaticContact CE2-CG 3.78Å; F590-F613 HydrophobicContact CE2-CG 3.78Å; F590-F613 AromaticContact CZ-CD2 3.71Å; F590-F613 HydrophobicContact CZ-CD2 3.71Å; F590-F613 HydrophobicContact CZ-CE2 4.13Å; F590-F613 HydrophobicContact CZ-CG 4.44Å; F590-L615 HydrophobicContact CB-CD1 4.34Å; F590-L615 HydrophobicContact CB-CD2 3.89Å; F590-I635 HydrophobicContact CB-CD1 4.44Å; F590-I635 HydrophobicContact CD1-CD1 3.94Å; F590-I635 HydrophobicContact CD2-CD1 3.64Å; F590-I635 HydrophobicContact CE1-CD1 4.08Å; F590-I635 HydrophobicContact CE1-CG2 4.21Å; F590-I635 HydrophobicContact CE2-CD1 3.8Å; F590-I635 HydrophobicContact CE2-CG2 4.45Å; F590-I635 HydrophobicContact CG-CD1 3.73Å; F590-I635 HydrophobicContact CZ-CB 4.42Å; F590-I635 HydrophobicContact CZ-CD1 4.02Å; F590-I635 HydrophobicContact CZ-CG2 3.89Å
591D94.3Very high91.8Very high43 Ų4351.4 Ų51.423%0.2327%0.266CS..EExtended strand (participates in β ladder)trans-138.9170.7177.3-134.9-23.4000110.9V599 V600 R602D591-V599 WeakPolarHBondContact O-CA 3.39Å; D591-V600 HydrophobicContact CB-CG2 3.86Å; D591-V600 PolarHBondContact N-O 2.97Å; D591-V600 PolarHBondContact O-N 3.25Å; D591-R602 HydrophobicContact CB-CB 4.2Å; D591-R602 VanDerWaalsContact CG-NE 3.26Å; D591-R602 IonicContact OD1-CZ 3.55Å; D591-R602 IonicContact OD1-NE 3.7Å; D591-R602 IonicContact OD1-NH2 2.79Å; D591-R602 PolarHBondContact OD1-NH2 3.23Å; D591-R602 IonicContact OD2-CZ 3.24Å; D591-R602 VanDerWaalsContact OD2-CZ 3.24Å; D591-R602 IonicContact OD2-NE 2.72Å; D591-R602 PolarHBondContact OD2-NE 3.41Å; D591-R602 IonicContact OD2-NH2 2.92Å; D591-R602 PolarHBondContact OD2-NH2 3.4Å
592V95.2Very high92.2Very high12 Ų1249.8 Ų49.87%0.07325%0.246CC..EExtended strand (participates in β ladder)trans-126.9136165.967.40000109.6V559 Y576 V578 E594 R598 V599 V617V559-V592 HydrophobicContact CG2-CG2 4.18Å; Y576-V592 HydrophobicContact CG-CG2 4.42Å; V578-V592 HydrophobicContact CG1-CG1 4.25Å; V592-E594 PolarHBondContact O-N 3.49Å; V592-R598 WeakPolarHBondContact CA-O 3.49Å; V592-V599 HydrophobicContact CG2-CG2 4.47Å; V592-V617 HydrophobicContact CB-CG1 4.5Å; V592-V617 HydrophobicContact CG1-CG1 4.13Å; V592-V617 HydrophobicContact CG2-CG1 4.43Å
593E94.3Very high92.6Very high65 Ų6546.7 Ų46.730%0.30424%0.236SC..  trans-70.2123.5171.3-73.8177.8-168.900110.1D595 S596 G597 R598E593-D595 PolarHBondContact O-N 3.46Å; E593-S596 WeakPolarHBondContact CB-OG 3.05Å; E593-S596 PolarHBondContact O-N 2.72Å; E593-S596 PolarHBondContact OE2-OG 2.89Å; E593-G597 PolarHBondContact O-N 2.78Å; E593-R598 HydrophobicContact CB-CB 4.33Å; E593-R598 HydrophobicContact CG-CB 4.36Å; E593-R598 PolarHBondContact N-O 3.38Å; E593-R598 IonicContact OE1-CZ 2.61Å; E593-R598 VanDerWaalsContact OE1-CZ 3.25Å; E593-R598 IonicContact OE1-NH1 3.52Å; E593-R598 PolarHBondContact OE1-NH1 2.93Å; E593-R598 IonicContact OE1-NH2 3.9Å; E593-R598 IonicContact OE2-CZ 2.61Å; E593-R598 IonicContact OE2-NE 2.62Å; E593-R598 IonicContact OE2-NH1 3.89Å; E593-R598 PolarHBondContact OE2-NH1 3.07Å
594E92.2Very high92.6Very high91 Ų9149 Ų4943%0.42525%0.251SS..THydrogen-bonded Turntrans-56.1-48.3-163.9-170.1177.4158.300114.4R575 Y576 V592R575-E594 WeakPolarHBondContact CA-O 3.33Å; R575-E594 HydrophobicContact CB-CG 4.26Å; R575-E594 VanDerWaalsContact CD-OE1 3.28Å; R575-E594 WeakPolarHBondContact CD-OE1 3.06Å; R575-E594 IonicContact CZ-OE1 2.73Å; R575-E594 IonicContact NE-OE1 2.83Å; R575-E594 IonicContact NH1-OE1 3.32Å; R575-E594 PolarHBondContact NH1-OE1 2.64Å; Y576-E594 WeakPolarHBondContact CD2-O 3.16Å; Y576-E594 PolarHBondContact N-O 2.93Å; V592-E594 PolarHBondContact O-N 3.49Å
595D90.5Very high92.4Very high107 Ų10745.6 Ų45.657%0.57223%0.228SC*.THydrogen-bonded Turntrans-88.9-25.5177.6-56-87.1000113.6R573 E593R573-D595 IonicContact CZ-OD1 2.95Å; R573-D595 IonicContact NE-OD1 3.9Å; R573-D595 IonicContact NH2-OD1 3.87Å; R573-D595 PolarHBondContact NH2-OD1 3.38Å; E593-D595 PolarHBondContact O-N 3.46Å
596S90.8Very high92.2Very high47 Ų4747.1 Ų47.133%0.32925%0.245SC..THydrogen-bonded Turntrans-98-13.9-165.7910000114.6E593 R598E593-S596 WeakPolarHBondContact CB-OG 3.05Å; E593-S596 PolarHBondContact O-N 2.72Å; E593-S596 PolarHBondContact OE2-OG 2.89Å; S596-R598 PolarHBondContact O-N 3.11Å; S596-R598 VanDerWaalsContact O-N 3.1Å; S596-R598 WeakPolarHBondContact OG-CB 3.4Å; S596-R598 WeakPolarHBondContact OG-CD 3.39Å; S596-R598 VanDerWaalsContact OG-CG 3.32Å; S596-R598 WeakPolarHBondContact OG-CG 3.21Å; S596-R598 PolarHBondContact OG-N 2.99Å
597G92.2Very high92Very high0 Ų048.2 Ų48.20%025%0.249CC..  trans66.55.8-176.100000114.4T558 V559 Y576 E593 V599T558-G597 WeakPolarHBondContact CA-O 3.33Å; V559-G597 WeakPolarHBondContact CG2-O 3.47Å; V559-G597 PolarHBondContact N-O 3.46Å; Y576-G597 VanDerWaalsContact CD2-CA 3.46Å; E593-G597 PolarHBondContact O-N 2.78Å; G597-V599 PolarHBondContact O-N 3.13Å
598R92.9Very high91.7Very high96 Ų9655.4 Ų55.436%0.36228%0.282SS..EExtended strand (participates in β ladder)trans-74.2118.6-179.4-70.1170.957.5-124.4-11.1110.3T558 V592 E593 S596T558-R598 HydrophobicContact CG2-CG 4.3Å; V592-R598 WeakPolarHBondContact CA-O 3.49Å; E593-R598 HydrophobicContact CB-CB 4.33Å; E593-R598 HydrophobicContact CG-CB 4.36Å; E593-R598 PolarHBondContact N-O 3.38Å; E593-R598 IonicContact OE1-CZ 2.61Å; E593-R598 VanDerWaalsContact OE1-CZ 3.25Å; E593-R598 IonicContact OE1-NH1 3.52Å; E593-R598 PolarHBondContact OE1-NH1 2.93Å; E593-R598 IonicContact OE1-NH2 3.9Å; E593-R598 IonicContact OE2-CZ 2.61Å; E593-R598 IonicContact OE2-NE 2.62Å; E593-R598 IonicContact OE2-NH1 3.89Å; E593-R598 PolarHBondContact OE2-NH1 3.07Å; S596-R598 PolarHBondContact O-N 3.11Å; S596-R598 VanDerWaalsContact O-N 3.1Å; S596-R598 WeakPolarHBondContact OG-CB 3.4Å; S596-R598 WeakPolarHBondContact OG-CD 3.39Å; S596-R598 VanDerWaalsContact OG-CG 3.32Å; S596-R598 WeakPolarHBondContact OG-CG 3.21Å; S596-R598 PolarHBondContact OG-N 2.99Å
599V94.4Very high91.4Very high0 Ų054.9 Ų54.90%028%0.277CS..EExtended strand (participates in β ladder)trans-82.3124.9176.1-176.30000108.8I556 T557 V559 D591 V592 G597 L615 V633 I635I556-V599 HydrophobicContact CB-CG1 4.49Å; I556-V599 PolarHBondContact N-O 3.15Å; T557-V599 HydrophobicContact CG2-CB 4.05Å; T557-V599 HydrophobicContact CG2-CG2 3.91Å; T557-V599 PolarHBondContact O-N 3.17Å; V559-V599 HydrophobicContact CG1-CG2 4.06Å; D591-V599 WeakPolarHBondContact O-CA 3.39Å; V592-V599 HydrophobicContact CG2-CG2 4.47Å; G597-V599 PolarHBondContact O-N 3.13Å; V599-L615 HydrophobicContact CG1-CD2 3.87Å; V599-V633 HydrophobicContact CG2-CG2 4.27Å; V599-I635 HydrophobicContact CG1-CD1 4.24Å
600V93.6Very high91Very high15 Ų1559.6 Ų59.69%0.09131%0.307CS..EExtended strand (participates in β ladder)trans-131.2161.7-172.9-64.10000112T554 F590 D591T554-V600 WeakPolarHBondContact O-CA 3.44Å; F590-V600 CarbonylContact C-O 3.57Å; F590-V600 WeakPolarHBondContact CA-O 3.37Å; D591-V600 HydrophobicContact CB-CG2 3.86Å; D591-V600 PolarHBondContact N-O 2.97Å; D591-V600 PolarHBondContact O-N 3.25Å
601T92.8Very high90.7Very high1 Ų161.6 Ų61.61%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-74.5122.7168.450.20000111.2V546 A550 V551 K552 G553 T554 I556 F590 V603 L605V546-T601 HydrophobicContact CG2-CG2 4.02Å; A550-T601 HydrophobicContact CB-CG2 4.11Å; V551-T601 PolarHBondContact O-OG1 2.94Å; K552-T601 WeakPolarHBondContact CA-OG1 3.36Å; G553-T601 PolarHBondContact N-O 2.61Å; G553-T601 PolarHBondContact N-OG1 3.43Å; T554-T601 HydrophobicContact CG2-CG2 4.49Å; T554-T601 PolarHBondContact N-OG1 3.42Å; T554-T601 PolarHBondContact O-N 2.62Å; T554-T601 VanDerWaalsContact O-N 3.09Å; I556-T601 HydrophobicContact CD1-CG2 4.03Å; F590-T601 HydrophobicContact CD1-CG2 4.3Å; F590-T601 HydrophobicContact CE1-CG2 4.17Å; T601-V603 WeakPolarHBondContact CB-O 3.42Å; T601-L605 HydrophobicContact CG2-CD1 3.93Å; T601-L605 HydrophobicContact CG2-CD2 4.4Å; T601-L605 HydrophobicContact CG2-CG 3.96Å
602R92.1Very high90.7Very high90 Ų9063.6 Ų63.634%0.3433%0.329SS..SBendtrans-75.8-26.4177-175.4173-93-173.6-6.7112.2K552 A587 S588 I589 D591K552-R602 WeakPolarHBondContact CD-O 3.48Å; K552-R602 WeakPolarHBondContact CE-O 3.33Å; K552-R602 WeakPolarHBondContact CG-O 3.41Å; A587-R602 PolarHBondContact O-NH1 3.08Å; S588-R602 WeakPolarHBondContact O-CD 3.26Å; I589-R602 PolarHBondContact O-N 3.21Å; D591-R602 HydrophobicContact CB-CB 4.2Å; D591-R602 VanDerWaalsContact CG-NE 3.26Å; D591-R602 IonicContact OD1-CZ 3.55Å; D591-R602 IonicContact OD1-NE 3.7Å; D591-R602 IonicContact OD1-NH2 2.79Å; D591-R602 PolarHBondContact OD1-NH2 3.23Å; D591-R602 IonicContact OD2-CZ 3.24Å; D591-R602 VanDerWaalsContact OD2-CZ 3.24Å; D591-R602 IonicContact OD2-NE 2.72Å; D591-R602 PolarHBondContact OD2-NE 3.41Å; D591-R602 IonicContact OD2-NH2 2.92Å; D591-R602 PolarHBondContact OD2-NH2 3.4Å
603V92.1Very high90.6Very high58 Ų5863.8 Ų63.835%0.35233%0.329SS..SBendtrans-131.4172.7-179.8-57.90000111K552 I589 T601 L605K552-V603 WeakPolarHBondContact CA-O 3.41Å; I589-V603 HydrophobicContact CB-CG2 3.95Å; I589-V603 HydrophobicContact CG2-CG2 3.95Å; T601-V603 WeakPolarHBondContact CB-O 3.42Å; V603-L605 HydrophobicContact CG2-CD2 4.13Å
604N89.3Confident90.6Very high116 Ų11665.7 Ų65.762%0.6234%0.336SS*.  trans-74.2126.5163.3-60.2-33.2000108.3A550 V551 K552A550-N604 CarbonylContact O-C 3.28Å; A550-N604 WeakPolarHBondContact O-CA 3.43Å; V551-N604 WeakPolarHBondContact CA-OD1 3.48Å; K552-N604 PolarHBondContact N-OD1 2.85Å
605L86.9Confident90.7Very high13 Ų1361.3 Ų61.37%0.06832%0.316CS..  trans-78.5155.4179.4-59.1-170.2000112.2V546 P548 A550 I589 F590 T601 V603 E607V546-L605 HydrophobicContact CB-CD1 4.41Å; V546-L605 HydrophobicContact CG1-CD1 3.84Å; V546-L605 HydrophobicContact CG2-CD1 3.65Å; P548-L605 CarbonylContact O-C 3.56Å; A550-L605 HydrophobicContact CB-CB 4.48Å; A550-L605 HydrophobicContact CB-CD1 4.14Å; A550-L605 HydrophobicContact CB-CG 4.28Å; A550-L605 PolarHBondContact O-N 2.85Å; I589-L605 HydrophobicContact CB-CD2 4.11Å; I589-L605 HydrophobicContact CD1-CD2 4.33Å; F590-L605 HydrophobicContact CE1-CD1 4.01Å; F590-L605 HydrophobicContact CE1-CD2 4.48Å; F590-L605 HydrophobicContact CZ-CD1 4.25Å; T601-L605 HydrophobicContact CG2-CD1 3.93Å; T601-L605 HydrophobicContact CG2-CD2 4.4Å; T601-L605 HydrophobicContact CG2-CG 3.96Å; V603-L605 HydrophobicContact CG2-CD2 4.13Å; L605-E607 HydrophobicContact CB-CG 4.28Å; L605-E607 HydrophobicContact CD2-CG 4.45Å
606N87.9Confident90.9Very high156 Ų15656.4 Ų56.483%0.83429%0.29SS*.  trans-152.663.8167.3-179.867.9000107.9P548P548-N606 VanDerWaalsContact O-CA 3.27Å; P548-N606 WeakPolarHBondContact O-CA 3.2Å; P548-N606 PolarHBondContact O-N 2.79Å
607E87.4Confident91Very high34 Ų3454.2 Ų54.216%0.15927%0.274CS..  trans-107151.9-166.9-65.9-66.6171.600112.6P548 Y585 L605 F613 V637P548-E607 VanDerWaalsContact CB-O 3.24Å; P548-E607 WeakPolarHBondContact CB-O 3.29Å; P548-E607 PolarHBondContact O-N 3.07Å; Y585-E607 PolarHBondContact OH-OE1 2.97Å; L605-E607 HydrophobicContact CB-CG 4.28Å; L605-E607 HydrophobicContact CD2-CG 4.45Å; E607-F613 HydrophobicContact CB-CE2 4.43Å; E607-F613 HydrophobicContact CB-CZ 4.39Å; E607-F613 HydrophobicContact CG-CE2 4.09Å; E607-F613 HydrophobicContact CG-CZ 3.93Å; E607-V637 HydrophobicContact CB-CG1 4.29Å; E607-V637 HydrophobicContact CB-CG2 4.01Å
608E86.4Confident91.2Very high153 Ų15354.5 Ų54.572%0.71528%0.276SS*.  trans-70131.7179.1-67.5-168.5167.100111.7T611E608-T611 WeakPolarHBondContact O-CB 3.48Å; E608-T611 PolarHBondContact O-N 3.34Å; E608-T611 PolarHBondContact O-OG1 3.29Å
609P84.8Confident91.3Very high45 Ų4549.9 Ų49.929%0.29226%0.258SS..THydrogen-bonded Turntrans-53150.1173.1-30.337.8000113.7T611 H639P609-T611 PolarHBondContact O-N 3.25Å; P609-H639 HydrophobicContact CB-CB 4.25Å
610T84.9Confident91.2Very high109 Ų10951.9 Ų51.967%0.66927%0.267SS*.THydrogen-bonded Turntrans68.9-1.9-174.575.50000116.1V637T610-V637 WeakPolarHBondContact CA-O 3.43Å; T610-V637 PolarHBondContact N-O 3.49Å
611T90.5Very high91.1Very high42 Ų4251.2 Ų51.226%0.25826%0.263SS..  trans-60.2136.3171.1-610000111.1E608 P609 F613 L636 V637E608-T611 WeakPolarHBondContact O-CB 3.48Å; E608-T611 PolarHBondContact O-N 3.34Å; E608-T611 PolarHBondContact O-OG1 3.29Å; P609-T611 PolarHBondContact O-N 3.25Å; T611-F613 HydrophobicContact CG2-CD1 4.17Å; T611-F613 HydrophobicContact CG2-CD2 4.29Å; T611-F613 HydrophobicContact CG2-CE1 3.67Å; T611-F613 HydrophobicContact CG2-CE2 3.83Å; T611-F613 HydrophobicContact CG2-CG 4.46Å; T611-F613 HydrophobicContact CG2-CZ 3.48Å; T611-F613 VanDerWaalsContact CG2-CZ 3.48Å; T611-L636 WeakPolarHBondContact O-CA 3.32Å; T611-V637 PolarHBondContact O-N 2.83Å
612I92.7Very high90.9Very high85 Ų8553.5 Ų53.544%0.43628%0.275SS..EExtended strand (participates in β ladder)trans-120102.9176.5-55175.6000110.1R634 I635 L636I612-R634 HydrophobicContact CG2-CB 4.33Å; I612-I635 CarbonylContact C-O 3.53Å; I612-I635 WeakPolarHBondContact CA-O 3.5Å; I612-L636 HydrophobicContact CD1-CD1 4.36Å; I612-L636 HydrophobicContact CG1-CD1 3.75Å
613F93.4Very high90.4Very high17 Ų1749.4 Ų49.48%0.07526%0.261CS..EExtended strand (participates in β ladder)trans-76.6154.3173.2-59.5-67.8000111.9Y585 P586 I589 F590 E607 T611 R634 I635 V637Y585-F613 HydrophobicContact CD1-CD1 4.47Å; Y585-F613 AromaticContact CD1-CE1 3.91Å; Y585-F613 HydrophobicContact CD1-CE1 3.91Å; Y585-F613 AromaticContact CE1-CE1 3.78Å; Y585-F613 HydrophobicContact CE1-CE1 3.78Å; Y585-F613 HydrophobicContact CE1-CZ 4.22Å; P586-F613 HydrophobicContact CB-CB 4.45Å; P586-F613 HydrophobicContact CG-CB 4.15Å; P586-F613 HydrophobicContact CG-CD1 4.11Å; I589-F613 HydrophobicContact CD1-CD1 4.45Å; I589-F613 HydrophobicContact CD1-CD2 4.42Å; I589-F613 HydrophobicContact CD1-CE1 4.06Å; I589-F613 HydrophobicContact CD1-CE2 4Å; I589-F613 HydrophobicContact CD1-CZ 3.81Å; F590-F613 HydrophobicContact CE2-CB 3.93Å; F590-F613 AromaticContact CE2-CD2 3.5Å; F590-F613 HydrophobicContact CE2-CD2 3.5Å; F590-F613 VanDerWaalsContact CE2-CD2 3.5Å; F590-F613 HydrophobicContact CE2-CE2 4.15Å; F590-F613 AromaticContact CE2-CG 3.78Å; F590-F613 HydrophobicContact CE2-CG 3.78Å; F590-F613 AromaticContact CZ-CD2 3.71Å; F590-F613 HydrophobicContact CZ-CD2 3.71Å; F590-F613 HydrophobicContact CZ-CE2 4.13Å; F590-F613 HydrophobicContact CZ-CG 4.44Å; E607-F613 HydrophobicContact CB-CE2 4.43Å; E607-F613 HydrophobicContact CB-CZ 4.39Å; E607-F613 HydrophobicContact CG-CE2 4.09Å; E607-F613 HydrophobicContact CG-CZ 3.93Å; T611-F613 HydrophobicContact CG2-CD1 4.17Å; T611-F613 HydrophobicContact CG2-CD2 4.29Å; T611-F613 HydrophobicContact CG2-CE1 3.67Å; T611-F613 HydrophobicContact CG2-CE2 3.83Å; T611-F613 HydrophobicContact CG2-CG 4.46Å; T611-F613 HydrophobicContact CG2-CZ 3.48Å; T611-F613 VanDerWaalsContact CG2-CZ 3.48Å; F613-R634 WeakPolarHBondContact O-CA 3.36Å; F613-I635 HydrophobicContact CB-CB 4.37Å; F613-I635 PolarHBondContact N-O 2.7Å; F613-I635 PolarHBondContact O-N 2.82Å; F613-I635 VanDerWaalsContact O-N 3.08Å; F613-V637 HydrophobicContact CD2-CG2 4.2Å; F613-V637 HydrophobicContact CE2-CG2 3.61Å
614K93.7Very high89.7Confident104 Ų10453.8 Ų53.845%0.45228%0.277SS..EExtended strand (participates in β ladder)trans-119.3104.6168.5-65.6178.6-177176.80107.9F583 P586 T632F583-K614 WeakPolarHBondContact CB-O 3.44Å; F583-K614 HydrophobicContact CD1-CB 4.42Å; F583-K614 HydrophobicContact CD2-CB 4.37Å; F583-K614 HydrophobicContact CE1-CB 4.45Å; F583-K614 HydrophobicContact CE1-CD 4.1Å; F583-K614 HydrophobicContact CE2-CB 4.4Å; F583-K614 HydrophobicContact CE2-CD 4.42Å; F583-K614 HydrophobicContact CG-CB 4.39Å; F583-K614 HydrophobicContact CZ-CB 4.44Å; F583-K614 HydrophobicContact CZ-CD 3.88Å; P586-K614 WeakPolarHBondContact CB-O 3.09Å; P586-K614 WeakPolarHBondContact CG-O 3.41Å; K614-T632 HydrophobicContact CB-CG2 4.09Å; K614-T632 HydrophobicContact CG-CG2 4.41Å
615L94.3Very high89.5Confident0 Ų052 Ų520%027%0.273CS..EExtended strand (participates in β ladder)trans-93.1129.6169.4-176.169000107.8V578 P586 A587 F590 V599 V617 T632 V633 I635V578-L615 HydrophobicContact CB-CD1 4.24Å; V578-L615 HydrophobicContact CG1-CD1 3.86Å; V578-L615 HydrophobicContact CG1-CD2 4.17Å; V578-L615 HydrophobicContact CG1-CG 4.3Å; P586-L615 HydrophobicContact CB-CB 4.43Å; P586-L615 HydrophobicContact CB-CD1 4.19Å; A587-L615 HydrophobicContact CB-CD1 4.31Å; F590-L615 HydrophobicContact CB-CD1 4.34Å; F590-L615 HydrophobicContact CB-CD2 3.89Å; V599-L615 HydrophobicContact CG1-CD2 3.87Å; L615-V617 HydrophobicContact CD2-CG2 4.06Å; L615-V617 HydrophobicContact CG-CG2 4.15Å; L615-T632 CarbonylContact O-C 3.52Å; L615-T632 WeakPolarHBondContact O-CA 3.45Å; L615-V633 HydrophobicContact CB-CB 4.29Å; L615-V633 PolarHBondContact N-O 3.35Å; L615-V633 PolarHBondContact O-N 3.11Å; L615-I635 HydrophobicContact CB-CD1 4.39Å
616V94.7Very high89.5Confident4 Ų455.5 Ų55.52%0.02429%0.294CS..EExtended strand (participates in β ladder)trans-95.4130.7169.4176.10000107.6D579 F583 A631D579-V616 HydrophobicContact CB-CB 3.99Å; D579-V616 HydrophobicContact CB-CG1 3.79Å; D579-V616 PolarHBondContact N-O 2.79Å; F583-V616 HydrophobicContact CD2-CG2 3.81Å; F583-V616 HydrophobicContact CE2-CG2 4.14Å; V616-A631 WeakPolarHBondContact CA-O 3.43Å
617V94.8Very high89.6Confident0 Ų050.7 Ų50.70%027%0.267CS..EExtended strand (participates in β ladder)trans-119.5131.8177.6-175.10000107.9F537 V559 Y576 R577 V592 L615 S630 A631 V633F537-V617 WeakPolarHBondContact CE2-O 3.48Å; F537-V617 HydrophobicContact CZ-CB 4.36Å; F537-V617 HydrophobicContact CZ-CG1 4.14Å; F537-V617 WeakPolarHBondContact CZ-O 3.32Å; V559-V617 HydrophobicContact CG2-CG1 4.15Å; Y576-V617 HydrophobicContact CD1-CG1 4.44Å; R577-V617 WeakPolarHBondContact O-CA 3.26Å; R577-V617 WeakPolarHBondContact O-CG1 3.44Å; V592-V617 HydrophobicContact CB-CG1 4.5Å; V592-V617 HydrophobicContact CG1-CG1 4.13Å; V592-V617 HydrophobicContact CG2-CG1 4.43Å; L615-V617 HydrophobicContact CD2-CG2 4.06Å; L615-V617 HydrophobicContact CG-CG2 4.15Å; V617-S630 WeakPolarHBondContact O-CA 3.44Å; V617-A631 PolarHBondContact N-O 2.86Å; V617-A631 PolarHBondContact O-N 2.99Å; V617-V633 HydrophobicContact CG2-CG2 3.94Å
618V94.7Very high89.8Confident6 Ų652.3 Ų52.34%0.03628%0.282CS..EExtended strand (participates in β ladder)trans-100.8130.6176-176.20000108Y576 R577 D579 S629Y576-V618 WeakPolarHBondContact CA-O 3.27Å; R577-V618 HydrophobicContact CG-CB 3.92Å; R577-V618 PolarHBondContact N-O 2.76Å; R577-V618 PolarHBondContact O-N 3.32Å; D579-V618 HydrophobicContact CB-CG2 4.05Å; V618-S629 VanDerWaalsContact CA-O 3.31Å; V618-S629 WeakPolarHBondContact CA-O 3.35Å; V618-S629 WeakPolarHBondContact CG1-O 3.09Å
619A94.8Very high90.1Very high0 Ų046.7 Ų46.70%026%0.26CS..EExtended strand (participates in β ladder)trans-98.7135.4164.400000107.6P535 F537 A561 V574 R575 Y576 S628 S629P535-A619 HydrophobicContact CB-CB 3.88Å; F537-A619 HydrophobicContact CD2-CB 4.19Å; F537-A619 HydrophobicContact CE1-CB 4.17Å; F537-A619 HydrophobicContact CE2-CB 3.49Å; F537-A619 VanDerWaalsContact CE2-CB 3.49Å; F537-A619 HydrophobicContact CZ-CB 3.49Å; F537-A619 VanDerWaalsContact CZ-CB 3.49Å; A561-A619 HydrophobicContact CB-CB 3.76Å; V574-A619 HydrophobicContact CG1-CB 4Å; R575-A619 WeakPolarHBondContact O-CA 3.37Å; Y576-A619 HydrophobicContact CD1-CB 4.21Å; Y576-A619 HydrophobicContact CE1-CB 4.13Å; A619-S628 CarbonylContact O-C 3.49Å; A619-S628 WeakPolarHBondContact O-CA 3.34Å; A619-S628 WeakPolarHBondContact O-CB 3.3Å; A619-S629 PolarHBondContact N-O 2.96Å; A619-S629 PolarHBondContact O-N 2.87Å
620F93.9Very high90.5Very high42 Ų4248.2 Ų48.218%0.18427%0.272CS..EExtended strand (participates in β ladder)trans-145.3148.9179.865.8-80000109.3R575 R577 V626 M627R575-F620 HydrophobicContact CB-CD1 4.3Å; R575-F620 HydrophobicContact CB-CD2 4.4Å; R575-F620 HydrophobicContact CB-CE1 3.78Å; R575-F620 HydrophobicContact CB-CE2 3.9Å; R575-F620 HydrophobicContact CB-CZ 3.57Å; R575-F620 HydrophobicContact CG-CE2 4.41Å; R575-F620 HydrophobicContact CG-CZ 4.42Å; R575-F620 PolarHBondContact N-O 3.44Å; R575-F620 WeakPolarHBondContact O-CD1 3.18Å; R575-F620 PolarHBondContact O-N 2.68Å; R577-F620 HydrophobicContact CB-CE1 3.99Å; R577-F620 HydrophobicContact CG-CD1 3.99Å; R577-F620 HydrophobicContact CG-CE1 3.73Å; F620-V626 HydrophobicContact CB-CG1 4.38Å; F620-M627 WeakPolarHBondContact CA-O 3.49Å
621D91.1Very high90.9Very high1 Ų143.2 Ų43.21%0.00524%0.242CC..  trans-87.5176.3177.650.379.9000113.1N531 P535 A571 R573 G623 V626 M627N531-D621 PolarHBondContact ND2-OD1 2.78Å; N531-D621 PolarHBondContact ND2-OD2 2.88Å; P535-D621 WeakPolarHBondContact CD-OD2 3.46Å; P535-D621 HydrophobicContact CG-CB 4.19Å; A571-D621 WeakPolarHBondContact O-CB 3.41Å; R573-D621 WeakPolarHBondContact O-CA 3.38Å; D621-G623 WeakPolarHBondContact OD1-CA 3.34Å; D621-G623 PolarHBondContact OD1-N 2.76Å; D621-V626 VanDerWaalsContact OD1-CA 3.3Å; D621-V626 WeakPolarHBondContact OD1-CA 3.49Å; D621-M627 PolarHBondContact OD1-N 3.03Å; D621-M627 WeakPolarHBondContact OD2-CA 3.21Å; D621-M627 VanDerWaalsContact OD2-CB 3.25Å; D621-M627 WeakPolarHBondContact OD2-CB 3.42Å; D621-M627 PolarHBondContact OD2-N 3.12Å
622D87.6Confident91.1Very high48 Ų4843.3 Ų43.326%0.25724%0.242SC..SBendtrans-99.723.5164.3-74.7-43.2000111.5P570 R573 R575P570-D622 HydrophobicContact CB-CB 3.88Å; P570-D622 WeakPolarHBondContact CB-O 3.47Å; P570-D622 CarbonylContact O-C 3.58Å; P570-D622 WeakPolarHBondContact O-CA 3.31Å; P570-D622 WeakPolarHBondContact O-CB 3.34Å; P570-D622 PolarHBondContact O-N 2.97Å; P570-D622 VanDerWaalsContact O-N 3.08Å; R573-D622 WeakPolarHBondContact CD-OD2 3.47Å; R573-D622 IonicContact CZ-OD2 2.64Å; R573-D622 IonicContact NE-OD2 2.66Å; R573-D622 IonicContact NH1-OD2 3.66Å; R573-D622 PolarHBondContact NH1-OD2 2.83Å; R575-D622 IonicContact CZ-OD1 3.47Å; R575-D622 IonicContact CZ-OD2 3.12Å; R575-D622 VanDerWaalsContact CZ-OD2 3.32Å; R575-D622 VanDerWaalsContact NE-CG 3.31Å; R575-D622 IonicContact NE-OD1 2.66Å; R575-D622 PolarHBondContact NE-OD1 2.87Å; R575-D622 IonicContact NE-OD2 3.68Å; R575-D622 PolarHBondContact NE-OD2 2.61Å; R575-D622 IonicContact NH2-OD1 3.49Å; R575-D622 PolarHBondContact NH2-OD1 2.69Å; R575-D622 IonicContact NH2-OD2 2.94Å; R575-D622 PolarHBondContact NH2-OD2 3.18Å
623G81.4Confident91.2Very high4 Ų439.2 Ų39.24%0.04122%0.221CC..  trans-79.4171.7-177.200000114.5D621 P625 V626D621-G623 WeakPolarHBondContact OD1-CA 3.34Å; D621-G623 PolarHBondContact OD1-N 2.76Å; G623-P625 CarbonylContact C-O 3.56Å; G623-P625 CarbonylContact O-C 3.5Å; G623-V626 WeakPolarHBondContact O-CG2 3.29Å; G623-V626 PolarHBondContact O-N 2.9Å
624E78.7Confident91.2Very high150 Ų15044 Ų4470%0.70124%0.238SC*.SBendtrans-131.3108.5172.4-84.8-74.4-164.900109.2M530M530-E624 WeakPolarHBondContact CE-O 3.45Å
625P84.4Confident91.2Very high80 Ų8039 Ų3952%0.51922%0.217SC..SBendcis-70.9153.51.232.4-36.3000112.9N531 G623 M627N531-P625 PolarHBondContact ND2-O 2.73Å; G623-P625 CarbonylContact C-O 3.56Å; G623-P625 CarbonylContact O-C 3.5Å; P625-M627 PolarHBondContact O-N 2.72Å
626V87.9Confident91Very high86 Ų8641.5 Ų41.552%0.52123%0.23SC..PPolyproline II helixtrans-71.1125.2173.51780000110.8F620 D621 G623F620-V626 HydrophobicContact CB-CG1 4.38Å; D621-V626 VanDerWaalsContact OD1-CA 3.3Å; D621-V626 WeakPolarHBondContact OD1-CA 3.49Å; G623-V626 WeakPolarHBondContact O-CG2 3.29Å; G623-V626 PolarHBondContact O-N 2.9Å
627M88.6Confident90.7Very high55 Ų5541.4 Ų41.427%0.27123%0.229SC..PPolyproline II helixtrans-103.2170.8173.2-58.1-172.378.600111N531 D532 P534 F620 D621 P625N531-M627 PolarHBondContact OD1-SD 3.13Å; N531-M627 VanDerWaalsContact OD1-SD 3.39Å; D532-M627 VanDerWaalsContact C-SD 3.55Å; P534-M627 HydrophobicContact CB-CB 4Å; P534-M627 HydrophobicContact CB-CE 4.05Å; P534-M627 HydrophobicContact CG-CE 4.2Å; F620-M627 WeakPolarHBondContact CA-O 3.49Å; D621-M627 PolarHBondContact OD1-N 3.03Å; D621-M627 WeakPolarHBondContact OD2-CA 3.21Å; D621-M627 VanDerWaalsContact OD2-CB 3.25Å; D621-M627 WeakPolarHBondContact OD2-CB 3.42Å; D621-M627 PolarHBondContact OD2-N 3.12Å; P625-M627 PolarHBondContact O-N 2.72Å
628S92.8Very high90.2Very high68 Ų6842 Ų4248%0.47623%0.232SC..EExtended strand (participates in β ladder)trans-168.1158179.7510000114.4A619A619-S628 CarbonylContact O-C 3.49Å; A619-S628 WeakPolarHBondContact O-CA 3.34Å; A619-S628 WeakPolarHBondContact O-CB 3.3Å
629S93.5Very high89.7Confident35 Ų3546.5 Ų46.525%0.24525%0.253CS..EExtended strand (participates in β ladder)trans-137.4178.9167.386.10000112.3P535 F537 V618 A619P535-S629 WeakPolarHBondContact O-CB 3.43Å; P535-S629 PolarHBondContact O-OG 3.32Å; F537-S629 WeakPolarHBondContact CD2-OG 3.31Å; V618-S629 VanDerWaalsContact CA-O 3.31Å; V618-S629 WeakPolarHBondContact CA-O 3.35Å; V618-S629 WeakPolarHBondContact CG1-O 3.09Å; A619-S629 PolarHBondContact N-O 2.96Å; A619-S629 PolarHBondContact O-N 2.87Å
630S93.1Very high89.1Confident77 Ų7750 Ų5054%0.53828%0.276SS..EExtended strand (participates in β ladder)trans-143.6140.3-175.8-53.30000113.4V617V617-S630 WeakPolarHBondContact O-CA 3.44Å
631A93.5Very high88.4Confident4 Ų449 Ų493%0.03328%0.277CS..EExtended strand (participates in β ladder)trans-130162.9175.600000111.9F537 Y542 V616 V617F537-A631 HydrophobicContact CB-CB 3.92Å; F537-A631 HydrophobicContact CD1-CB 3.86Å; F537-A631 HydrophobicContact CD2-CB 3.53Å; F537-A631 HydrophobicContact CE1-CB 4.21Å; F537-A631 HydrophobicContact CE2-CB 3.91Å; F537-A631 HydrophobicContact CG-CB 3.49Å; F537-A631 VanDerWaalsContact CG-CB 3.49Å; F537-A631 HydrophobicContact CZ-CB 4.22Å; Y542-A631 HydrophobicContact CD2-CB 4.4Å; Y542-A631 HydrophobicContact CE2-CB 4.12Å; V616-A631 WeakPolarHBondContact CA-O 3.43Å; V617-A631 PolarHBondContact N-O 2.86Å; V617-A631 PolarHBondContact O-N 2.99Å
632T93.6Very high87.9Confident43 Ų4352.7 Ų52.726%0.26429%0.294SS..EExtended strand (participates in β ladder)trans-112.5126179.2-51.20000112R540 I541 Y542 K614 L615R540-T632 PolarHBondContact O-N 3.32Å; R540-T632 VanDerWaalsContact O-N 3.12Å; I541-T632 CarbonylContact C-O 3.2Å; I541-T632 VanDerWaalsContact CA-O 3.28Å; I541-T632 WeakPolarHBondContact CA-O 3.41Å; Y542-T632 PolarHBondContact N-O 2.85Å; K614-T632 HydrophobicContact CB-CG2 4.09Å; K614-T632 HydrophobicContact CG-CG2 4.41Å; L615-T632 CarbonylContact O-C 3.52Å; L615-T632 WeakPolarHBondContact O-CA 3.45Å
633V94.4Very high87.6Confident0 Ų050.8 Ų50.80%028%0.284CS..EExtended strand (participates in β ladder)trans-94.5121.7169.3-167.70000109T557 V559 V599 L615 V617 I635T557-V633 HydrophobicContact CG2-CG1 3.65Å; V559-V633 HydrophobicContact CG1-CG2 3.74Å; V599-V633 HydrophobicContact CG2-CG2 4.27Å; L615-V633 HydrophobicContact CB-CB 4.29Å; L615-V633 PolarHBondContact N-O 3.35Å; L615-V633 PolarHBondContact O-N 3.11Å; V617-V633 HydrophobicContact CG2-CG2 3.94Å; V633-I635 HydrophobicContact CB-CG1 4.49Å; V633-I635 HydrophobicContact CG1-CD1 4.33Å; V633-I635 HydrophobicContact CG1-CG1 3.79Å
634R94.1Very high88Confident116 Ų11650.8 Ų50.844%0.43828%0.284SS..EExtended strand (participates in β ladder)trans-95.2109.7171.9-67.8-172.366.8177.5-0.9109.7I541 Y542 K543 G544 I612 F613I541-R634 HydrophobicContact CG2-CG 4.1Å; Y542-R634 PolarHBondContact O-N 2.87Å; K543-R634 WeakPolarHBondContact CA-O 3.48Å; G544-R634 PolarHBondContact N-O 2.9Å; I612-R634 HydrophobicContact CG2-CB 4.33Å; F613-R634 WeakPolarHBondContact O-CA 3.36Å
635I92.5Very high88.4Confident0 Ų052.6 Ų52.60%028%0.284CS..EExtended strand (participates in β ladder)trans-105.4116.2-175.9-54.6171.8000108.6G544 V546 I556 F590 V599 I612 F613 L615 V633G544-I635 WeakPolarHBondContact O-CA 3.38Å; V546-I635 HydrophobicContact CB-CG2 4.07Å; V546-I635 HydrophobicContact CG1-CG2 3.74Å; I556-I635 HydrophobicContact CD1-CD1 4.25Å; I556-I635 HydrophobicContact CD1-CG2 4.36Å; I556-I635 HydrophobicContact CG2-CD1 4.33Å; I556-I635 HydrophobicContact CG2-CG1 4.12Å; I556-I635 HydrophobicContact CG2-CG2 3.93Å; F590-I635 HydrophobicContact CB-CD1 4.44Å; F590-I635 HydrophobicContact CD1-CD1 3.94Å; F590-I635 HydrophobicContact CD2-CD1 3.64Å; F590-I635 HydrophobicContact CE1-CD1 4.08Å; F590-I635 HydrophobicContact CE1-CG2 4.21Å; F590-I635 HydrophobicContact CE2-CD1 3.8Å; F590-I635 HydrophobicContact CE2-CG2 4.45Å; F590-I635 HydrophobicContact CG-CD1 3.73Å; F590-I635 HydrophobicContact CZ-CB 4.42Å; F590-I635 HydrophobicContact CZ-CD1 4.02Å; F590-I635 HydrophobicContact CZ-CG2 3.89Å; V599-I635 HydrophobicContact CG1-CD1 4.24Å; I612-I635 CarbonylContact C-O 3.53Å; I612-I635 WeakPolarHBondContact CA-O 3.5Å; F613-I635 HydrophobicContact CB-CB 4.37Å; F613-I635 PolarHBondContact N-O 2.7Å; F613-I635 PolarHBondContact O-N 2.82Å; F613-I635 VanDerWaalsContact O-N 3.08Å; L615-I635 HydrophobicContact CB-CD1 4.39Å; V633-I635 HydrophobicContact CB-CG1 4.49Å; V633-I635 HydrophobicContact CG1-CD1 4.33Å; V633-I635 HydrophobicContact CG1-CG1 3.79Å
636L90.4Very high88.7Confident53 Ų5349.4 Ų49.428%0.27726%0.262SS..EExtended strand (participates in β ladder)trans-93.6129.2176.5173.866.9000110.4G544 M545 V546 T611 I612 L638G544-L636 PolarHBondContact O-N 2.95Å; M545-L636 CarbonylContact C-O 3.45Å; M545-L636 WeakPolarHBondContact CA-O 3.42Å; M545-L636 HydrophobicContact CG-CB 4.49Å; V546-L636 PolarHBondContact N-O 2.99Å; T611-L636 WeakPolarHBondContact O-CA 3.32Å; I612-L636 HydrophobicContact CD1-CD1 4.36Å; I612-L636 HydrophobicContact CG1-CD1 3.75Å; L636-L638 HydrophobicContact CD2-CD2 3.94Å; L636-L638 HydrophobicContact CG-CD2 4.24Å
637V89.6Confident88.9Confident1 Ų150 Ų501%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-81.6118.2168.3-173.80000108.9V546 P548 E607 T610 T611 F613V546-V637 HydrophobicContact CG1-CG2 4.07Å; V546-V637 WeakPolarHBondContact O-CA 3.42Å; P548-V637 HydrophobicContact CB-CG1 3.73Å; P548-V637 HydrophobicContact CG-CG1 4.48Å; E607-V637 HydrophobicContact CB-CG1 4.29Å; E607-V637 HydrophobicContact CB-CG2 4.01Å; T610-V637 WeakPolarHBondContact CA-O 3.43Å; T610-V637 PolarHBondContact N-O 3.49Å; T611-V637 PolarHBondContact O-N 2.83Å; F613-V637 HydrophobicContact CD2-CG2 4.2Å; F613-V637 HydrophobicContact CE2-CG2 3.61Å
638L84.6Confident89Confident12 Ų1252.3 Ų52.36%0.06328%0.276CS..PPolyproline II helixtrans-74.5159.1179.3-65.6-169.5000112.6M545 V546 P548 L636 I643 V732M545-L638 HydrophobicContact CB-CD1 4.46Å; M545-L638 HydrophobicContact CB-CD2 4.41Å; M545-L638 HydrophobicContact CB-CG 4.3Å; M545-L638 HydrophobicContact CG-CD2 4.16Å; M545-L638 HydrophobicContact SD-CD1 4.41Å; M545-L638 HydrophobicContact SD-CD2 4.07Å; V546-L638 PolarHBondContact O-N 2.82Å; P548-L638 WeakPolarHBondContact CD-O 3.18Å; L636-L638 HydrophobicContact CD2-CD2 3.94Å; L636-L638 HydrophobicContact CG-CD2 4.24Å; L638-I643 HydrophobicContact CB-CD1 4.3Å; L638-I643 HydrophobicContact CB-CG1 4.2Å; L638-I643 HydrophobicContact CD1-CG1 4.28Å; L638-V732 HydrophobicContact CD1-CB 4.38Å; L638-V732 HydrophobicContact CD1-CG1 4.14Å; L638-V732 HydrophobicContact CD1-CG2 4.01Å
639H83.9Confident88.8Confident101 Ų10156 Ų5647%0.46829%0.286SS..PPolyproline II helixtrans-80.2137.8168.6-169.774.2000110.5P609 G641 E642P609-H639 HydrophobicContact CB-CB 4.25Å; H639-G641 PolarHBondContact O-N 2.82Å; H639-E642 HydrophobicContact CB-CG 4.09Å; H639-E642 WeakPolarHBondContact CB-OE2 3.41Å; H639-E642 PolarHBondContact N-OE2 3.35Å; H639-E642 WeakPolarHBondContact O-CB 3.38Å; H639-E642 PolarHBondContact O-N 3.26Å
640P80.8Confident88.8Confident75 Ų7557.8 Ų57.849%0.48729%0.29SS..THydrogen-bonded Turntrans-56.1-22.1-177.1-3036.3000116.1P548P548-P640 HydrophobicContact CG-CG 3.94Å
641G79.6Confident88.9Confident21 Ų2154.9 Ų54.922%0.21627%0.268CS..THydrogen-bonded Turntrans-78.5-12.9174.700000115.7H639 I674H639-G641 PolarHBondContact O-N 2.82Å; G641-I674 PolarHBondContact O-N 2.94Å; G641-I674 VanDerWaalsContact O-N 3.15Å
642E80.4Confident88.9Confident77 Ų7761.4 Ų61.436%0.3629%0.291SS..SBendtrans-91.2-9.7175.7-57.3169.5148.200112H639 Q676H639-E642 HydrophobicContact CB-CG 4.09Å; H639-E642 WeakPolarHBondContact CB-OE2 3.41Å; H639-E642 PolarHBondContact N-OE2 3.35Å; H639-E642 WeakPolarHBondContact O-CB 3.38Å; H639-E642 PolarHBondContact O-N 3.26Å; E642-Q676 PolarHBondContact O-OE1 3.01Å; E642-Q676 VanDerWaalsContact O-OE1 3.06Å
643I83Confident88.9Confident9 Ų960.6 Ų60.65%0.04629%0.287CS..SBendtrans-98.2115.7179.9-53.6177.4000107.6A547 L638 R645 S736 N737A547-I643 HydrophobicContact CB-CD1 3.59Å; L638-I643 HydrophobicContact CB-CD1 4.3Å; L638-I643 HydrophobicContact CB-CG1 4.2Å; L638-I643 HydrophobicContact CD1-CG1 4.28Å; I643-R645 PolarHBondContact O-N 2.98Å; I643-S736 WeakPolarHBondContact CG2-OG 3.04Å; I643-N737 HydrophobicContact CG2-CB 3.94Å
644P87.9Confident88.9Confident4 Ų465.1 Ų65.13%0.02632%0.316CS..  trans-58.1133.5-176.5-26.436000112.4A671 A673 I678 A720 S736 N737P644-A671 HydrophobicContact CB-CB 4.26Å; P644-A673 HydrophobicContact CB-CB 4.34Å; P644-A673 HydrophobicContact CG-CB 4.09Å; P644-I678 HydrophobicContact CB-CD1 3.72Å; P644-I678 HydrophobicContact CG-CD1 3.61Å; P644-A720 HydrophobicContact CB-CB 4.07Å; P644-A720 WeakPolarHBondContact CB-O 3.45Å; P644-A720 VanDerWaalsContact CG-O 3.3Å; P644-A720 WeakPolarHBondContact CG-O 3.48Å; P644-S736 CarbonylContact O-C 3.57Å; P644-S736 VanDerWaalsContact O-C 3.26Å; P644-N737 HydrophobicContact CB-CB 4.45Å; P644-N737 WeakPolarHBondContact O-CA 3.44Å; P644-N737 WeakPolarHBondContact O-CB 3.4Å; P644-N737 PolarHBondContact O-N 3.03Å
645R88.2Confident88.9Confident187 Ų18762.9 Ų62.971%0.70632%0.317SS*.EExtended strand (participates in β ladder)trans-107.1121.6177.4-171.3176.8178.7-177.21.1110.7I643 A671 A672 S736I643-R645 PolarHBondContact O-N 2.98Å; R645-A671 CarbonylContact O-C 3.58Å; R645-A671 WeakPolarHBondContact O-CA 3.46Å; R645-A671 WeakPolarHBondContact O-CB 3.13Å; R645-A672 PolarHBondContact N-O 2.79Å; R645-A672 PolarHBondContact O-N 2.69Å; R645-S736 WeakPolarHBondContact CA-O 3.33Å
646F91.1Very high89Confident14 Ų1463.3 Ų63.36%0.06132%0.319CS..EExtended strand (participates in β ladder)trans-63.2149.8171.3-79.8-68000112.2Q648 Y651 I669 S670 A671 Y680 V718 A720 S736 N737 A739F646-Q648 VanDerWaalsContact C-N 3.26Å; F646-Q648 VanDerWaalsContact CB-O 3.32Å; F646-Q648 WeakPolarHBondContact CB-O 3.23Å; F646-Q648 PolarHBondContact O-N 2.74Å; F646-Y651 HydrophobicContact CB-CE2 4.4Å; F646-Y651 HydrophobicContact CD1-CE2 4.02Å; F646-Y651 WeakPolarHBondContact CD1-OH 3.35Å; F646-Y651 HydrophobicContact CG-CE2 4.35Å; F646-I669 HydrophobicContact CE1-CB 4.15Å; F646-I669 HydrophobicContact CE1-CD1 3.67Å; F646-I669 HydrophobicContact CE1-CG1 4.03Å; F646-I669 HydrophobicContact CZ-CD1 4Å; F646-S670 CarbonylContact C-O 3.6Å; F646-S670 WeakPolarHBondContact CA-O 3.43Å; F646-S670 WeakPolarHBondContact CD1-O 3.5Å; F646-A671 HydrophobicContact CD1-CB 3.73Å; F646-A671 HydrophobicContact CE1-CB 4.07Å; F646-A671 HydrophobicContact CG-CB 4.14Å; F646-Y680 HydrophobicContact CE1-CD1 4.05Å; F646-Y680 AromaticContact CE1-CE1 3.96Å; F646-Y680 HydrophobicContact CE1-CE1 3.96Å; F646-Y680 HydrophobicContact CZ-CD1 4.47Å; F646-V718 HydrophobicContact CE1-CG2 4.4Å; F646-V718 HydrophobicContact CE2-CG2 4.28Å; F646-V718 HydrophobicContact CZ-CB 4.31Å; F646-V718 HydrophobicContact CZ-CG2 3.86Å; F646-A720 HydrophobicContact CE1-CB 3.94Å; F646-A720 HydrophobicContact CE2-CB 3.94Å; F646-A720 HydrophobicContact CZ-CB 3.56Å; F646-S736 PolarHBondContact N-O 3.48Å; F646-S736 VanDerWaalsContact N-O 3.09Å; F646-N737 VanDerWaalsContact CE2-O 3.23Å; F646-N737 WeakPolarHBondContact CE2-O 3.46Å; F646-A739 HydrophobicContact CB-CB 4.22Å; F646-A739 HydrophobicContact CD1-CB 4.42Å; F646-A739 HydrophobicContact CD2-CB 3.41Å; F646-A739 VanDerWaalsContact CD2-CB 3.41Å; F646-A739 HydrophobicContact CE2-CB 3.74Å; F646-A739 HydrophobicContact CG-CB 3.78Å; F646-A739 HydrophobicContact CZ-CB 4.4Å
647T90.8Very high89.1Confident97 Ų9762.6 Ų62.660%0.59532%0.318SS*.SBendtrans-70.9-22174.358.10000112.9Y651 S670T647-Y651 PolarHBondContact N-OH 2.85Å; T647-Y651 PolarHBondContact OG1-OH 2.81Å; T647-Y651 VanDerWaalsContact OG1-OH 3.05Å; T647-S670 PolarHBondContact N-O 3.45Å; T647-S670 PolarHBondContact OG1-O 3.03Å
648Q91Very high89.4Confident104 Ų10463 Ų6349%0.48632%0.32SS..  trans-141.1142.5174.5-57.1179.90.100109.9F646 Y651F646-Q648 VanDerWaalsContact C-N 3.26Å; F646-Q648 VanDerWaalsContact CB-O 3.32Å; F646-Q648 WeakPolarHBondContact CB-O 3.23Å; F646-Q648 PolarHBondContact O-N 2.74Å; Q648-Y651 HydrophobicContact CB-CD1 4.11Å; Q648-Y651 HydrophobicContact CB-CD2 4.35Å; Q648-Y651 HydrophobicContact CB-CE1 3.89Å; Q648-Y651 HydrophobicContact CB-CE2 4.13Å; Q648-Y651 HydrophobicContact CB-CG 4.34Å; Q648-Y651 HydrophobicContact CG-CD1 4.4Å; Q648-Y651 HydrophobicContact CG-CE1 4.1Å; Q648-Y651 PolarHBondContact N-OH 3.08Å; Q648-Y651 WeakPolarHBondContact O-CE2 3.24Å
649E88.9Confident89.8Confident147 Ų14767.6 Ų67.669%0.68734%0.344SS*.SBendtrans-79.9-32175.3-172.4176.217300111.8A739 K740E649-A739 WeakPolarHBondContact O-CA 3.26Å; E649-A739 WeakPolarHBondContact O-CB 3.24Å; E649-K740 PolarHBondContact O-N 2.84Å
650E93.2Very high90.2Very high71 Ų7163.4 Ų63.433%0.33233%0.328SS..EExtended strand (participates in β ladder)trans-127.2117.4170.2-58.7-156.3149.700110R652 K740 Y742E650-R652 IonicContact OE2-NH2 3.49Å; E650-R652 PolarHBondContact OE2-NH2 2.8Å; E650-R652 VanDerWaalsContact OE2-NH2 3.12Å; E650-K740 HydrophobicContact CG-CB 4.49Å; E650-K740 WeakPolarHBondContact OE1-CD 3.38Å; E650-K740 IonicContact OE1-NZ 2.73Å; E650-K740 PolarHBondContact OE1-NZ 2.82Å; E650-Y742 HydrophobicContact CB-CD2 4.46Å; E650-Y742 HydrophobicContact CB-CE2 3.99Å; E650-Y742 VanDerWaalsContact CD-OH 3.29Å; E650-Y742 HydrophobicContact CG-CE2 3.95Å; E650-Y742 WeakPolarHBondContact OE1-CE2 3.48Å; E650-Y742 PolarHBondContact OE1-OH 2.86Å; E650-Y742 WeakPolarHBondContact OE2-CE2 3.35Å; E650-Y742 PolarHBondContact OE2-OH 2.97Å
651Y94.5Very high90.7Very high17 Ų1763.2 Ų63.27%0.06733%0.332CS..EExtended strand (participates in β ladder)trans-91.1139.9170.9-65.5-93000110.4F646 T647 Q648 I669 S670 A739 K740 V741 Y742F646-Y651 HydrophobicContact CB-CE2 4.4Å; F646-Y651 HydrophobicContact CD1-CE2 4.02Å; F646-Y651 WeakPolarHBondContact CD1-OH 3.35Å; F646-Y651 HydrophobicContact CG-CE2 4.35Å; T647-Y651 PolarHBondContact N-OH 2.85Å; T647-Y651 PolarHBondContact OG1-OH 2.81Å; T647-Y651 VanDerWaalsContact OG1-OH 3.05Å; Q648-Y651 HydrophobicContact CB-CD1 4.11Å; Q648-Y651 HydrophobicContact CB-CD2 4.35Å; Q648-Y651 HydrophobicContact CB-CE1 3.89Å; Q648-Y651 HydrophobicContact CB-CE2 4.13Å; Q648-Y651 HydrophobicContact CB-CG 4.34Å; Q648-Y651 HydrophobicContact CG-CD1 4.4Å; Q648-Y651 HydrophobicContact CG-CE1 4.1Å; Q648-Y651 PolarHBondContact N-OH 3.08Å; Q648-Y651 WeakPolarHBondContact O-CE2 3.24Å; Y651-I669 HydrophobicContact CD1-CG2 4.2Å; Y651-I669 HydrophobicContact CD2-CB 4.44Å; Y651-I669 HydrophobicContact CD2-CG2 3.81Å; Y651-I669 HydrophobicContact CE1-CB 4.29Å; Y651-I669 HydrophobicContact CE1-CG2 4.27Å; Y651-I669 HydrophobicContact CE2-CB 4.02Å; Y651-I669 HydrophobicContact CE2-CG2 3.89Å; Y651-I669 HydrophobicContact CG-CG2 3.96Å; Y651-S670 PolarHBondContact OH-N 2.78Å; Y651-S670 PolarHBondContact OH-O 2.86Å; Y651-A739 HydrophobicContact CD2-CB 4.19Å; Y651-A739 HydrophobicContact CE2-CB 3.93Å; Y651-K740 PolarHBondContact N-O 2.95Å; Y651-V741 HydrophobicContact CD2-CG2 4.43Å; Y651-V741 WeakPolarHBondContact O-CA 3.46Å; Y651-Y742 PolarHBondContact O-N 3.21Å
652R94.7Very high91.3Very high140 Ų14071.4 Ų71.453%0.52836%0.357SS..  trans-129.985.4174.3-64.3-174.2-179.5-89.6-12108.8E650 Y742 E744E650-R652 IonicContact OE2-NH2 3.49Å; E650-R652 PolarHBondContact OE2-NH2 2.8Å; E650-R652 VanDerWaalsContact OE2-NH2 3.12Å; R652-Y742 HydrophobicContact CG-CD2 4.4Å; R652-E744 IonicContact NH1-OE1 2.71Å
653P94.1Very high91.8Very high27 Ų2770 Ų7018%0.17536%0.363CS..PPolyproline II helixtrans-55.7162168.323.8-35.6000111.9V666 V741 Y742 I743P653-V666 HydrophobicContact CB-CG1 4.06Å; P653-V666 VanDerWaalsContact CB-O 3.22Å; P653-V666 WeakPolarHBondContact CB-O 3.44Å; P653-V666 HydrophobicContact CG-CG1 3.96Å; P653-V741 HydrophobicContact CG-CG1 3.98Å; P653-Y742 WeakPolarHBondContact CD-O 3.04Å; P653-I743 HydrophobicContact CG-CG1 4.13Å
654P93.4Very high92.4Very high95 Ų9572.1 Ų72.162%0.61738%0.376SS*.PPolyproline II helixtrans-60.4154.8167.629.5-35.6000110.6
655P93.8Very high92.7Very high69 Ų6976.4 Ų76.445%0.44840%0.402SS..PPolyproline II helixtrans-55.4147.1175.4-27.636.3000113.2E744 Q746P655-E744 CarbonylContact C-O 3.55Å; P655-E744 VanDerWaalsContact CA-O 3.23Å; P655-E744 WeakPolarHBondContact CA-O 3.2Å; P655-Q746 HydrophobicContact CB-CB 4.02Å
656V94.3Very high93Very high9 Ų967.9 Ų67.96%0.05537%0.371CS..EExtended strand (participates in β ladder)trans-108.8113.5-176.8-171.70000109.3E658 A660 V666 V702 L706 I743 E744 I745 Q746V656-E658 PolarHBondContact O-N 3.13Å; V656-A660 HydrophobicContact CG1-CB 3.91Å; V656-V666 HydrophobicContact CG1-CG2 4.39Å; V656-V666 HydrophobicContact CG2-CB 4.18Å; V656-V666 HydrophobicContact CG2-CG1 3.6Å; V656-V666 HydrophobicContact CG2-CG2 3.88Å; V656-V702 HydrophobicContact CG1-CG2 4.18Å; V656-L706 HydrophobicContact CB-CD1 4.25Å; V656-L706 HydrophobicContact CG1-CD1 3.57Å; V656-I743 HydrophobicContact CG2-CG2 3.81Å; V656-E744 PolarHBondContact N-O 2.79Å; V656-I745 WeakPolarHBondContact O-CA 3Å; V656-Q746 PolarHBondContact O-N 2.95Å
657S94Very high93.1Very high37 Ų3768.2 Ų68.226%0.25938%0.378SS..EExtended strand (participates in β ladder)trans-44127.1167.5-178.10000110.6L659 A660 E748S657-L659 PolarHBondContact O-N 2.8Å; S657-A660 WeakPolarHBondContact O-CB 3.41Å; S657-A660 PolarHBondContact O-N 3.17Å; S657-E748 WeakPolarHBondContact CB-OE1 3.45Å; S657-E748 VanDerWaalsContact OG-CD 3.29Å; S657-E748 VanDerWaalsContact OG-CG 3.25Å; S657-E748 WeakPolarHBondContact OG-CG 3.46Å; S657-E748 PolarHBondContact OG-OE1 3.33Å
658E94.6Very high93.2Very high10 Ų1068 Ų685%0.04738%0.376CS..THydrogen-bonded Turntrans-64.1-30.7-178.367.3-166108.300113.1V656 A660 L706 D707 Y708 I745 Q746 D747 E748V656-E658 PolarHBondContact O-N 3.13Å; E658-A660 PolarHBondContact O-N 3.38Å; E658-L706 HydrophobicContact CB-CB 4.27Å; E658-D707 WeakPolarHBondContact OE2-CA 3.32Å; E658-Y708 VanDerWaalsContact OE1-CB 3.27Å; E658-Y708 WeakPolarHBondContact OE1-CB 3.26Å; E658-Y708 WeakPolarHBondContact OE2-CB 3.33Å; E658-Y708 PolarHBondContact OE2-N 2.98Å; E658-I745 HydrophobicContact CB-CG2 3.85Å; E658-Q746 PolarHBondContact N-O 2.84Å; E658-Q746 VanDerWaalsContact N-O 3.14Å; E658-D747 WeakPolarHBondContact OE1-CA 3.48Å; E658-E748 HydrophobicContact CG-CB 4.11Å; E658-E748 HydrophobicContact CG-CG 4.22Å; E658-E748 PolarHBondContact OE1-N 3.47Å
659L93.2Very high93.4Very high108 Ų10863.1 Ų63.157%0.56535%0.354SS*.THydrogen-bonded Turntrans-69.35.5173.4-57.1178.1000113.4S657 A661 E748S657-L659 PolarHBondContact O-N 2.8Å; L659-A661 PolarHBondContact O-N 3.34Å; L659-E748 HydrophobicContact CD1-CB 3.76Å; L659-E748 HydrophobicContact CD1-CG 4.16Å; L659-E748 HydrophobicContact CG-CB 3.94Å; L659-E748 HydrophobicContact CG-CG 4.15Å
660A92.2Very high93.6Very high14 Ų1458.9 Ų58.912%0.11634%0.34CS..  trans-61.4115.6177.200000112.6V656 S657 E658 T664 V702V656-A660 HydrophobicContact CG1-CB 3.91Å; S657-A660 WeakPolarHBondContact O-CB 3.41Å; S657-A660 PolarHBondContact O-N 3.17Å; E658-A660 PolarHBondContact O-N 3.38Å; A660-T664 HydrophobicContact CB-CG2 3.98Å; A660-V702 HydrophobicContact CB-CG2 4.22Å
661A91.9Very high93.5Very high71 Ų7155.9 Ų55.959%0.58733%0.327SS*.  trans-61.5149.9177.600000112.6L659 G663 T664L659-A661 PolarHBondContact O-N 3.34Å; A661-G663 PolarHBondContact O-N 2.82Å; A661-T664 PolarHBondContact N-OG1 2.95Å; A661-T664 VanDerWaalsContact O-CB 3.27Å; A661-T664 WeakPolarHBondContact O-CB 3.31Å; A661-T664 PolarHBondContact O-N 3.29Å; A661-T664 PolarHBondContact O-OG1 3.24Å
662R91.7Very high93.2Very high193 Ų19358.3 Ų58.373%0.72835%0.351SS*.THydrogen-bonded Turntrans-52.1127.2173.6-172.6178.7-166.2-165.37.3110.9N703R662-N703 WeakPolarHBondContact CD-O 3.42Å; R662-N703 WeakPolarHBondContact CG-O 3.41Å; R662-N703 PolarHBondContact NE-O 2.81Å; R662-N703 PolarHBondContact NE-OD1 3.43Å; R662-N703 PolarHBondContact NH2-OD1 3.18Å
663G92.2Very high92.8Very high47 Ų4752.7 Ų52.749%0.48533%0.334SS..THydrogen-bonded Turntrans97.8-5.2-173.200000114.8A661 V665 V702A661-G663 PolarHBondContact O-N 2.82Å; G663-V665 PolarHBondContact O-N 3.36Å; G663-V702 PolarHBondContact N-O 2.86Å
664T94.3Very high92.2Very high53 Ų5357.1 Ų57.133%0.32536%0.355SS..  trans-60.9129.1173.7-61.80000110.3A660 A661 Y701 V702A660-T664 HydrophobicContact CB-CG2 3.98Å; A661-T664 PolarHBondContact N-OG1 2.95Å; A661-T664 VanDerWaalsContact O-CB 3.27Å; A661-T664 WeakPolarHBondContact O-CB 3.31Å; A661-T664 PolarHBondContact O-N 3.29Å; A661-T664 PolarHBondContact O-OG1 3.24Å; T664-Y701 CarbonylContact O-C 3.55Å; T664-Y701 WeakPolarHBondContact O-CA 3.16Å; T664-Y701 WeakPolarHBondContact O-CB 3.48Å; T664-V702 PolarHBondContact O-N 2.83Å
665V95.3Very high91.7Very high95 Ų9560.6 Ų60.658%0.57637%0.369SS*.EExtended strand (participates in β ladder)trans-77.8123179.31740000109.8G663 V699G663-V665 PolarHBondContact O-N 3.36Å; V665-V699 HydrophobicContact CB-CG1 4.44Å; V665-V699 HydrophobicContact CG1-CG1 3.74Å; V665-V699 HydrophobicContact CG2-CG1 3.9Å
666V94.3Very high91.1Very high8 Ų859.2 Ų59.25%0.04836%0.357CS..EExtended strand (participates in β ladder)trans-88.4-39.6177.4175.60000110.9P653 V656 F691 I700 V702 I743P653-V666 HydrophobicContact CB-CG1 4.06Å; P653-V666 VanDerWaalsContact CB-O 3.22Å; P653-V666 WeakPolarHBondContact CB-O 3.44Å; P653-V666 HydrophobicContact CG-CG1 3.96Å; V656-V666 HydrophobicContact CG1-CG2 4.39Å; V656-V666 HydrophobicContact CG2-CB 4.18Å; V656-V666 HydrophobicContact CG2-CG1 3.6Å; V656-V666 HydrophobicContact CG2-CG2 3.88Å; V666-F691 HydrophobicContact CG2-CD1 3.94Å; V666-F691 HydrophobicContact CG2-CE1 3.91Å; V666-I700 HydrophobicContact CB-CG2 4.31Å; V666-I700 PolarHBondContact N-O 3.21Å; V666-V702 HydrophobicContact CG2-CG2 3.79Å; V666-I743 HydrophobicContact CG1-CD1 3.99Å; V666-I743 HydrophobicContact CG1-CG1 4.02Å; V666-I743 HydrophobicContact CG1-CG2 3.95Å
667G92.3Very high90.8Very high21 Ų2161.9 Ų61.922%0.21638%0.376CS..EExtended strand (participates in β ladder)trans178.7-173.9-178.600000112.8I700G667-I700 PolarHBondContact N-O 3.02Å; G667-I700 PolarHBondContact O-N 2.94Å
668V94.1Very high90.6Very high92 Ų9261.3 Ų61.356%0.55837%0.369SS*.EExtended strand (participates in β ladder)trans-138.1130.5177.360.70000110G698 V699V668-G698 WeakPolarHBondContact CA-O 3.33Å; V668-V699 HydrophobicContact CB-CG2 4.27Å; V668-V699 HydrophobicContact CG2-CG2 3.97Å
669I94.1Very high90.4Very high2 Ų262.4 Ų62.41%0.0138%0.376CS..  trans-100.3154.2170.968.6179.2000109.6F646 Y651 Y680 I693 G698 I700 V718 V741F646-I669 HydrophobicContact CE1-CB 4.15Å; F646-I669 HydrophobicContact CE1-CD1 3.67Å; F646-I669 HydrophobicContact CE1-CG1 4.03Å; F646-I669 HydrophobicContact CZ-CD1 4Å; Y651-I669 HydrophobicContact CD1-CG2 4.2Å; Y651-I669 HydrophobicContact CD2-CB 4.44Å; Y651-I669 HydrophobicContact CD2-CG2 3.81Å; Y651-I669 HydrophobicContact CE1-CB 4.29Å; Y651-I669 HydrophobicContact CE1-CG2 4.27Å; Y651-I669 HydrophobicContact CE2-CB 4.02Å; Y651-I669 HydrophobicContact CE2-CG2 3.89Å; Y651-I669 HydrophobicContact CG-CG2 3.96Å; I669-Y680 HydrophobicContact CD1-CD1 3.85Å; I669-Y680 HydrophobicContact CD1-CG 4.47Å; I669-Y680 HydrophobicContact CG1-CD1 3.89Å; I669-Y680 HydrophobicContact CG1-CE1 4.2Å; I669-Y680 HydrophobicContact CG1-CG 4.49Å; I669-I693 HydrophobicContact CD1-CD1 3.49Å; I669-I693 VanDerWaalsContact CD1-CD1 3.49Å; I669-I693 HydrophobicContact CG1-CD1 4.05Å; I669-G698 WeakPolarHBondContact CG1-O 3.44Å; I669-G698 PolarHBondContact N-O 2.91Å; I669-I700 HydrophobicContact CG2-CD1 3.95Å; I669-V718 HydrophobicContact CD1-CB 3.6Å; I669-V718 HydrophobicContact CD1-CG1 3.9Å; I669-V718 HydrophobicContact CD1-CG2 3.63Å; I669-V741 HydrophobicContact CG2-CG2 3.92Å
670S92.8Very high90.4Very high57 Ų5758.1 Ų58.140%0.39935%0.353SS..  trans-145.7133.5-179.6-174.20000111.3F646 T647 Y651F646-S670 CarbonylContact C-O 3.6Å; F646-S670 WeakPolarHBondContact CA-O 3.43Å; F646-S670 WeakPolarHBondContact CD1-O 3.5Å; T647-S670 PolarHBondContact N-O 3.45Å; T647-S670 PolarHBondContact OG1-O 3.03Å; Y651-S670 PolarHBondContact OH-N 2.78Å; Y651-S670 PolarHBondContact OH-O 2.86Å
671A91.1Very high90.4Very high8 Ų858.8 Ų58.87%0.06636%0.357CS..EExtended strand (participates in β ladder)trans-132159173.100000110.9P644 R645 F646 I678 Y680 A720P644-A671 HydrophobicContact CB-CB 4.26Å; R645-A671 CarbonylContact O-C 3.58Å; R645-A671 WeakPolarHBondContact O-CA 3.46Å; R645-A671 WeakPolarHBondContact O-CB 3.13Å; F646-A671 HydrophobicContact CD1-CB 3.73Å; F646-A671 HydrophobicContact CE1-CB 4.07Å; F646-A671 HydrophobicContact CG-CB 4.14Å; A671-I678 HydrophobicContact CB-CG2 4.38Å; A671-Y680 HydrophobicContact CB-CE1 4.03Å; A671-Y680 PolarHBondContact N-OH 2.86Å; A671-Y680 PolarHBondContact O-OH 3Å; A671-A720 HydrophobicContact CB-CB 3.6Å
672A88.9Confident90.5Very high68 Ų6857.2 Ų57.256%0.56234%0.338SS*.EExtended strand (participates in β ladder)trans-137.3143.4176.500000111.7R645R645-A672 PolarHBondContact N-O 2.79Å; R645-A672 PolarHBondContact O-N 2.69Å
673A85.4Confident90.4Very high22 Ų2251.1 Ų51.118%0.18232%0.322CS..  trans-129.9160.7168.100000108.6P644 N675 Q676 I678P644-A673 HydrophobicContact CB-CB 4.34Å; P644-A673 HydrophobicContact CG-CB 4.09Å; A673-N675 PolarHBondContact O-N 3.02Å; A673-Q676 HydrophobicContact CB-CB 4.11Å; A673-I678 HydrophobicContact CB-CD1 3.88Å
674I82.2Confident90.2Very high120 Ų12050.5 Ų50.562%0.61531%0.313SS*.SBendtrans-76.4122.6-178.8-61.6177.2000109.4G641 Q676G641-I674 PolarHBondContact O-N 2.94Å; G641-I674 VanDerWaalsContact O-N 3.15Å; I674-Q676 PolarHBondContact O-N 3.3Å
675N83.1Confident89.9Confident169 Ų16948.4 Ų48.490%0.90430%0.301SS*.SBendtrans59.111.5176.8-58.6-26.8000116.8A673A673-N675 PolarHBondContact O-N 3.02Å
676Q81.6Confident89.8Confident40 Ų4045.4 Ų45.419%0.18728%0.282CS..  trans-114.3146.8-179.9-72.9172.8-20.300111.9E642 A673 I674 S722 E724E642-Q676 PolarHBondContact O-OE1 3.01Å; E642-Q676 VanDerWaalsContact O-OE1 3.06Å; A673-Q676 HydrophobicContact CB-CB 4.11Å; I674-Q676 PolarHBondContact O-N 3.3Å; Q676-S722 PolarHBondContact OE1-OG 3.08Å; Q676-E724 PolarHBondContact NE2-OE2 3.49Å
677S87.3Confident89.6Confident65 Ų6551.4 Ų51.446%0.45531%0.31SS..  trans-83.4147.9166.947.50000111S722 L723S677-S722 WeakPolarHBondContact O-CA 2.99Å; S677-L723 PolarHBondContact O-N 3.31Å; S677-L723 VanDerWaalsContact OG-CB 3.3Å; S677-L723 WeakPolarHBondContact OG-CB 3.23Å; S677-L723 WeakPolarHBondContact OG-CD2 3.31Å
678I89.2Confident89.4Confident25 Ų2554.7 Ų54.713%0.12832%0.319CS..EExtended strand (participates in β ladder)trans-106.3141.3-173-52.8-50.2000110.5P644 A671 A673 Y680 A720P644-I678 HydrophobicContact CB-CD1 3.72Å; P644-I678 HydrophobicContact CG-CD1 3.61Å; A671-I678 HydrophobicContact CB-CG2 4.38Å; A673-I678 HydrophobicContact CB-CD1 3.88Å; I678-Y680 HydrophobicContact CB-CE2 4.41Å; I678-Y680 HydrophobicContact CG2-CD1 4.21Å; I678-Y680 HydrophobicContact CG2-CD2 4.45Å; I678-Y680 HydrophobicContact CG2-CE1 3.79Å; I678-Y680 HydrophobicContact CG2-CE2 4.05Å; I678-A720 HydrophobicContact CG2-CB 3.75Å
679V91.1Very high89.3Confident32 Ų3254.4 Ų54.419%0.19432%0.315CS..EExtended strand (participates in β ladder)trans-118121.2171.2-1740000108.6N695 D721 L723 V726V679-N695 WeakPolarHBondContact CA-O 3.26Å; V679-N695 HydrophobicContact CG1-CB 4.21Å; V679-D721 PolarHBondContact N-O 2.89Å; V679-D721 PolarHBondContact O-N 2.88Å; V679-L723 HydrophobicContact CG2-CB 4.45Å; V679-L723 HydrophobicContact CG2-CD1 4.03Å; V679-V726 HydrophobicContact CB-CG2 4.05Å; V679-V726 HydrophobicContact CG1-CG2 4.49Å; V679-V726 HydrophobicContact CG2-CG2 4.13Å
680Y92.7Very high89.3Confident19 Ų1955.6 Ų55.68%0.07532%0.32CS..EExtended strand (participates in β ladder)trans-93.3141.5179.5-57.5-81.4000111.8F646 I669 A671 I678 N695 A720F646-Y680 HydrophobicContact CE1-CD1 4.05Å; F646-Y680 AromaticContact CE1-CE1 3.96Å; F646-Y680 HydrophobicContact CE1-CE1 3.96Å; F646-Y680 HydrophobicContact CZ-CD1 4.47Å; I669-Y680 HydrophobicContact CD1-CD1 3.85Å; I669-Y680 HydrophobicContact CD1-CG 4.47Å; I669-Y680 HydrophobicContact CG1-CD1 3.89Å; I669-Y680 HydrophobicContact CG1-CE1 4.2Å; I669-Y680 HydrophobicContact CG1-CG 4.49Å; A671-Y680 HydrophobicContact CB-CE1 4.03Å; A671-Y680 PolarHBondContact N-OH 2.86Å; A671-Y680 PolarHBondContact O-OH 3Å; I678-Y680 HydrophobicContact CB-CE2 4.41Å; I678-Y680 HydrophobicContact CG2-CD1 4.21Å; I678-Y680 HydrophobicContact CG2-CD2 4.45Å; I678-Y680 HydrophobicContact CG2-CE1 3.79Å; I678-Y680 HydrophobicContact CG2-CE2 4.05Å; Y680-N695 PolarHBondContact N-O 2.88Å; Y680-N695 WeakPolarHBondContact O-CA 3.28Å; Y680-N695 WeakPolarHBondContact O-CB 3.38Å; Y680-A720 HydrophobicContact CD1-CB 4.08Å; Y680-A720 HydrophobicContact CE1-CB 4.13Å
681S92.7Very high89.5Confident27 Ų2753 Ų5319%0.18930%0.301CS..EExtended strand (participates in β ladder)trans-143.5151.4171.161.40000112.1V718 Q719S681-V718 CarbonylContact O-C 3.44Å; S681-V718 VanDerWaalsContact O-CA 3.31Å; S681-V718 WeakPolarHBondContact O-CA 3.44Å; S681-Q719 PolarHBondContact N-O 3.2Å; S681-Q719 PolarHBondContact O-N 2.84Å
682I93.5Very high89.6Confident38 Ų3853 Ų5320%0.19530%0.302CS..EExtended strand (participates in β ladder)trans-87133.4163-62.8159.9000106.8N686 I693 L716 V718I682-N686 HydrophobicContact CG2-CB 3.82Å; I682-I693 HydrophobicContact CD1-CB 3.99Å; I682-I693 HydrophobicContact CD1-CG2 4.03Å; I682-I693 HydrophobicContact CG1-CB 4.14Å; I682-I693 HydrophobicContact CG1-CG2 3.89Å; I682-L716 HydrophobicContact CD1-CD1 4.07Å; I682-L716 HydrophobicContact CG1-CD1 4.41Å; I682-V718 HydrophobicContact CG1-CG1 4.05Å
683V89.4Confident90Very high65 Ų6551 Ų5139%0.39428%0.282SS..EExtended strand (participates in β ladder)trans-118.6-15.9-176.1-62.20000114.1R717 Q719V683-R717 HydrophobicContact CG2-CB 3.84Å; V683-R717 WeakPolarHBondContact CG2-O 3.3Å; V683-R717 PolarHBondContact N-O 2.95Å; V683-Q719 HydrophobicContact CG1-CB 3.77Å; V683-Q719 HydrophobicContact CG2-CB 4.41Å
684A89.7Confident90.4Very high35 Ų3553 Ų5329%0.28929%0.29SS..EExtended strand (participates in β ladder)trans-164.1169.4170.600000110.6L716 R717A684-L716 WeakPolarHBondContact O-CA 3.4Å; A684-R717 HydrophobicContact CB-CB 4.15Å; A684-R717 HydrophobicContact CB-CG 4.21Å; A684-R717 PolarHBondContact O-N 2.91Å
685G88.3Confident90.9Very high8 Ų851.6 Ų51.68%0.08228%0.283CS..SBendtrans86.13.4176.800000115.1E687 L716G685-E687 WeakPolarHBondContact CA-OE1 3.09Å; G685-E687 VanDerWaalsContact CA-OE2 3.26Å; G685-E687 WeakPolarHBondContact CA-OE2 3.32Å; G685-E687 PolarHBondContact N-OE1 3.15Å; G685-L716 WeakPolarHBondContact O-CD2 3.22Å
686N93Very high91.2Very high32 Ų3248.8 Ų48.817%0.17127%0.272CS..  trans-124.839-179.4-167.957.2000111.1I682 E688 D689 K690 F691 L716I682-N686 HydrophobicContact CG2-CB 3.82Å; N686-E688 PolarHBondContact O-N 3.06Å; N686-D689 PolarHBondContact O-N 2.72Å; N686-D689 VanDerWaalsContact O-N 3.12Å; N686-K690 PolarHBondContact OD1-N 2.85Å; N686-K690 VanDerWaalsContact OD1-N 3.15Å; N686-F691 PolarHBondContact ND2-O 3.33Å; N686-F691 PolarHBondContact OD1-N 2.93Å; N686-F691 PolarHBondContact OD1-O 3.27Å; N686-L716 HydrophobicContact CB-CD2 4.06Å
687E89.5Confident91.7Very high135 Ų13550.3 Ų50.363%0.63128%0.284SS*.THydrogen-bonded Turntrans-62.6-24.4-175-63.869.6-149.300112.7G685G685-E687 WeakPolarHBondContact CA-OE1 3.09Å; G685-E687 VanDerWaalsContact CA-OE2 3.26Å; G685-E687 WeakPolarHBondContact CA-OE2 3.32Å; G685-E687 PolarHBondContact N-OE1 3.15Å
688E88.7Confident92Very high89 Ų8947.2 Ų47.242%0.41626%0.262SS..THydrogen-bonded Turntrans-94.85.7179.5-67.7168.4-129.200113.9N686 K690 R711N686-E688 PolarHBondContact O-N 3.06Å; E688-K690 VanDerWaalsContact C-N 3.26Å; E688-K690 HydrophobicContact CB-CD 4.32Å; E688-K690 HydrophobicContact CB-CG 3.88Å; E688-K690 PolarHBondContact O-N 3.36Å; E688-K690 WeakPolarHBondContact OE2-CE 3.45Å; E688-R711 WeakPolarHBondContact OE1-CD 3.07Å; E688-R711 IonicContact OE1-CZ 2.67Å; E688-R711 IonicContact OE1-NE 3.86Å; E688-R711 IonicContact OE1-NH1 3.49Å; E688-R711 PolarHBondContact OE1-NH1 2.96Å
689D91.6Very high92.3Very high87 Ų8747.9 Ų47.947%0.46527%0.267SS..  trans48.842-174.4-162.521.5000114.5N686 N703 S704N686-D689 PolarHBondContact O-N 2.72Å; N686-D689 VanDerWaalsContact O-N 3.12Å; D689-N703 PolarHBondContact OD1-ND2 2.9Å; D689-N703 PolarHBondContact OD2-ND2 2.83Å; D689-S704 PolarHBondContact O-OG 2.81Å
690K93.6Very high92.5Very high27 Ų2746.4 Ų46.412%0.11726%0.258CS..  trans-72.6-31.9177.5-64.8-58.9-158172.30112.7N686 E688 N703 S704 P705 L706 Y714N686-K690 PolarHBondContact OD1-N 2.85Å; N686-K690 VanDerWaalsContact OD1-N 3.15Å; E688-K690 VanDerWaalsContact C-N 3.26Å; E688-K690 HydrophobicContact CB-CD 4.32Å; E688-K690 HydrophobicContact CB-CG 3.88Å; E688-K690 PolarHBondContact O-N 3.36Å; E688-K690 WeakPolarHBondContact OE2-CE 3.45Å; K690-N703 PolarHBondContact O-N 2.85Å; K690-S704 WeakPolarHBondContact CA-OG 3.22Å; K690-S704 WeakPolarHBondContact CD-OG 3.21Å; K690-S704 PolarHBondContact O-N 3.02Å; K690-P705 PolarHBondContact NZ-O 2.87Å; K690-L706 HydrophobicContact CB-CD2 4.17Å; K690-L706 HydrophobicContact CD-CD2 4.33Å; K690-L706 HydrophobicContact CG-CD2 4.47Å; K690-Y714 HydrophobicContact CB-CE1 4.25Å; K690-Y714 WeakPolarHBondContact CE-OH 3.28Å; K690-Y714 HydrophobicContact CG-CE1 3.65Å
691F96.2Very high92.7Very high1 Ų149.4 Ų49.40%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-129.5138.2-173.7-53.5-78.2000112.6V666 N686 I700 Y701 V702 L706 Y714 L716 I743 I745V666-F691 HydrophobicContact CG2-CD1 3.94Å; V666-F691 HydrophobicContact CG2-CE1 3.91Å; N686-F691 PolarHBondContact ND2-O 3.33Å; N686-F691 PolarHBondContact OD1-N 2.93Å; N686-F691 PolarHBondContact OD1-O 3.27Å; F691-I700 HydrophobicContact CB-CG2 4.13Å; F691-Y701 CarbonylContact C-O 3.58Å; F691-Y701 VanDerWaalsContact CA-O 3.29Å; F691-Y701 WeakPolarHBondContact CA-O 3.12Å; F691-V702 HydrophobicContact CE1-CG2 4.47Å; F691-L706 HydrophobicContact CE1-CD1 4.28Å; F691-L706 HydrophobicContact CE1-CD2 4.05Å; F691-L706 HydrophobicContact CE2-CD2 4.44Å; F691-L706 HydrophobicContact CZ-CD2 3.69Å; F691-Y714 AromaticContact CE2-CD1 3.96Å; F691-Y714 HydrophobicContact CE2-CD1 3.96Å; F691-Y714 AromaticContact CE2-CD2 3.78Å; F691-Y714 HydrophobicContact CE2-CD2 3.78Å; F691-Y714 HydrophobicContact CE2-CE1 4.43Å; F691-Y714 HydrophobicContact CE2-CE2 4.29Å; F691-Y714 AromaticContact CE2-CG 3.62Å; F691-Y714 HydrophobicContact CE2-CG 3.62Å; F691-Y714 HydrophobicContact CZ-CD2 4.05Å; F691-Y714 HydrophobicContact CZ-CE2 4.44Å; F691-Y714 HydrophobicContact CZ-CG 4.34Å; F691-L716 HydrophobicContact CB-CD1 4.11Å; F691-L716 HydrophobicContact CD2-CD1 4.27Å; F691-L716 HydrophobicContact CD2-CD2 4.04Å; F691-L716 HydrophobicContact CG-CD1 4.31Å; F691-I743 HydrophobicContact CD1-CD1 3.85Å; F691-I743 HydrophobicContact CD2-CD1 3.87Å; F691-I743 HydrophobicContact CE1-CD1 3.8Å; F691-I743 HydrophobicContact CE1-CG2 4.07Å; F691-I743 HydrophobicContact CE2-CD1 3.82Å; F691-I743 HydrophobicContact CG-CD1 3.88Å; F691-I743 HydrophobicContact CZ-CB 4.31Å; F691-I743 HydrophobicContact CZ-CD1 3.78Å; F691-I743 HydrophobicContact CZ-CG2 3.8Å; F691-I745 HydrophobicContact CZ-CD1 4.42Å
692G94.4Very high92.8Very high8 Ų848.1 Ų48.18%0.08226%0.261CS..EExtended strand (participates in β ladder)trans-103.7159.9167.500000111I700 Y701G692-I700 WeakPolarHBondContact O-CA 3.48Å; G692-Y701 VanDerWaalsContact C-CE1 3.5Å; G692-Y701 PolarHBondContact N-O 2.69Å; G692-Y701 WeakPolarHBondContact O-CD1 3.45Å; G692-Y701 PolarHBondContact O-N 3.03Å
693I96Very high92.9Very high28 Ų2847.4 Ų47.414%0.14426%0.258CS..EExtended strand (participates in β ladder)trans-126.8136.6170.2-168.9166.9000110.5I669 I682 N695 V699 I700I669-I693 HydrophobicContact CD1-CD1 3.49Å; I669-I693 VanDerWaalsContact CD1-CD1 3.49Å; I669-I693 HydrophobicContact CG1-CD1 4.05Å; I682-I693 HydrophobicContact CD1-CB 3.99Å; I682-I693 HydrophobicContact CD1-CG2 4.03Å; I682-I693 HydrophobicContact CG1-CB 4.14Å; I682-I693 HydrophobicContact CG1-CG2 3.89Å; I693-N695 PolarHBondContact O-N 3.49Å; I693-V699 WeakPolarHBondContact CA-O 3.35Å; I693-I700 HydrophobicContact CB-CG1 4.34Å; I693-I700 HydrophobicContact CD1-CD1 4.42Å; I693-I700 HydrophobicContact CD1-CG1 3.9Å; I693-I700 HydrophobicContact CG1-CG1 3.97Å
694N94.5Very high93Very high64 Ų6445.8 Ų45.834%0.34225%0.249SC..  trans-76.5112.1167.8-176.1-49.2000108.9V696 T697 G698 V699N694-V696 PolarHBondContact O-N 2.88Å; N694-V696 PolarHBondContact OD1-N 3.13Å; N694-T697 VanDerWaalsContact CB-OG1 3.28Å; N694-T697 WeakPolarHBondContact CB-OG1 3.46Å; N694-T697 PolarHBondContact O-N 2.8Å; N694-T697 PolarHBondContact OD1-N 2.83Å; N694-T697 PolarHBondContact OD1-OG1 3.04Å; N694-G698 PolarHBondContact O-N 3.23Å; N694-V699 HydrophobicContact CB-CB 4.41Å; N694-V699 PolarHBondContact N-O 2.95Å
695N92.2Very high93Very high90 Ų9049 Ų4948%0.48127%0.267SS..THydrogen-bonded Turntrans-65.2-17.6-174.364.1-17000114.7V679 Y680 I693V679-N695 WeakPolarHBondContact CA-O 3.26Å; V679-N695 HydrophobicContact CG1-CB 4.21Å; Y680-N695 PolarHBondContact N-O 2.88Å; Y680-N695 WeakPolarHBondContact O-CA 3.28Å; Y680-N695 WeakPolarHBondContact O-CB 3.38Å; I693-N695 PolarHBondContact O-N 3.49Å
696V90.9Very high93.3Very high110 Ų11049.1 Ų49.167%0.66727%0.266SS*.THydrogen-bonded Turntrans-95-40.7176.3-179.40000111.9N694N694-V696 PolarHBondContact O-N 2.88Å; N694-V696 PolarHBondContact OD1-N 3.13Å
697T91.9Very high93.3Very high71 Ų7150.5 Ų50.544%0.43627%0.273SS..THydrogen-bonded Turntrans-101.2-11.2-171.666.20000115N694 V699N694-T697 VanDerWaalsContact CB-OG1 3.28Å; N694-T697 WeakPolarHBondContact CB-OG1 3.46Å; N694-T697 PolarHBondContact O-N 2.8Å; N694-T697 PolarHBondContact OD1-N 2.83Å; N694-T697 PolarHBondContact OD1-OG1 3.04Å; T697-V699 PolarHBondContact O-N 2.81Å; T697-V699 WeakPolarHBondContact OG1-CG2 3.32Å
698G92.7Very high93.4Very high0 Ų046.7 Ų46.70%025%0.253CS..  trans71.78.9-176.800000114.3V668 I669 N694V668-G698 WeakPolarHBondContact CA-O 3.33Å; I669-G698 WeakPolarHBondContact CG1-O 3.44Å; I669-G698 PolarHBondContact N-O 2.91Å; N694-G698 PolarHBondContact O-N 3.23Å
699V96Very high93.6Very high39 Ų3945.8 Ų45.824%0.23625%0.249CC..EExtended strand (participates in β ladder)trans-76.3124.3179176.90000110.2V665 V668 I693 N694 T697V665-V699 HydrophobicContact CB-CG1 4.44Å; V665-V699 HydrophobicContact CG1-CG1 3.74Å; V665-V699 HydrophobicContact CG2-CG1 3.9Å; V668-V699 HydrophobicContact CB-CG2 4.27Å; V668-V699 HydrophobicContact CG2-CG2 3.97Å; I693-V699 WeakPolarHBondContact CA-O 3.35Å; N694-V699 HydrophobicContact CB-CB 4.41Å; N694-V699 PolarHBondContact N-O 2.95Å; T697-V699 PolarHBondContact O-N 2.81Å; T697-V699 WeakPolarHBondContact OG1-CG2 3.32Å
700I96.2Very high93.5Very high2 Ų246.1 Ų46.11%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-96.7133.9175.9-60.6173.5000108.8V666 G667 I669 F691 G692 I693 L716 V718 V741 I743V666-I700 HydrophobicContact CB-CG2 4.31Å; V666-I700 PolarHBondContact N-O 3.21Å; G667-I700 PolarHBondContact N-O 3.02Å; G667-I700 PolarHBondContact O-N 2.94Å; I669-I700 HydrophobicContact CG2-CD1 3.95Å; F691-I700 HydrophobicContact CB-CG2 4.13Å; G692-I700 WeakPolarHBondContact O-CA 3.48Å; I693-I700 HydrophobicContact CB-CG1 4.34Å; I693-I700 HydrophobicContact CD1-CD1 4.42Å; I693-I700 HydrophobicContact CD1-CG1 3.9Å; I693-I700 HydrophobicContact CG1-CG1 3.97Å; I700-L716 HydrophobicContact CD1-CD1 4.45Å; I700-L716 HydrophobicContact CG2-CD1 4.26Å; I700-V718 HydrophobicContact CD1-CG1 4.45Å; I700-V741 HydrophobicContact CD1-CB 4.46Å; I700-V741 HydrophobicContact CD1-CG1 4.26Å; I700-V741 HydrophobicContact CD1-CG2 3.87Å; I700-I743 HydrophobicContact CG2-CD1 4.49Å
701Y95.7Very high93.4Very high82 Ų8248.4 Ų48.432%0.32226%0.263SS..EExtended strand (participates in β ladder)trans-139.1155.5-175.561.7-89.9000112.4T664 F691 G692 N703T664-Y701 CarbonylContact O-C 3.55Å; T664-Y701 WeakPolarHBondContact O-CA 3.16Å; T664-Y701 WeakPolarHBondContact O-CB 3.48Å; F691-Y701 CarbonylContact C-O 3.58Å; F691-Y701 VanDerWaalsContact CA-O 3.29Å; F691-Y701 WeakPolarHBondContact CA-O 3.12Å; G692-Y701 VanDerWaalsContact C-CE1 3.5Å; G692-Y701 PolarHBondContact N-O 2.69Å; G692-Y701 WeakPolarHBondContact O-CD1 3.45Å; G692-Y701 PolarHBondContact O-N 3.03Å; Y701-N703 HydrophobicContact CE2-CB 4.5Å; Y701-N703 PolarHBondContact O-N 3Å
702V95.9Very high93.2Very high0 Ų051.4 Ų51.40%028%0.281CS..EExtended strand (participates in β ladder)trans-67.7120.2176.2-178.90000109.9V656 A660 G663 T664 V666 F691 S704 L706V656-V702 HydrophobicContact CG1-CG2 4.18Å; A660-V702 HydrophobicContact CB-CG2 4.22Å; G663-V702 PolarHBondContact N-O 2.86Å; T664-V702 PolarHBondContact O-N 2.83Å; V666-V702 HydrophobicContact CG2-CG2 3.79Å; F691-V702 HydrophobicContact CE1-CG2 4.47Å; V702-S704 WeakPolarHBondContact CG1-O 3.43Å; V702-L706 HydrophobicContact CG1-CD1 4.16Å; V702-L706 HydrophobicContact CG1-CG 4.13Å; V702-L706 HydrophobicContact CG2-CD1 3.84Å
703N93.8Very high93.1Very high22 Ų2253.8 Ų53.812%0.11830%0.296CS..  trans-101-28.2-179.8-17126.8000113R662 D689 K690 Y701R662-N703 WeakPolarHBondContact CD-O 3.42Å; R662-N703 WeakPolarHBondContact CG-O 3.41Å; R662-N703 PolarHBondContact NE-O 2.81Å; R662-N703 PolarHBondContact NE-OD1 3.43Å; R662-N703 PolarHBondContact NH2-OD1 3.18Å; D689-N703 PolarHBondContact OD1-ND2 2.9Å; D689-N703 PolarHBondContact OD2-ND2 2.83Å; K690-N703 PolarHBondContact O-N 2.85Å; Y701-N703 HydrophobicContact CE2-CB 4.5Å; Y701-N703 PolarHBondContact O-N 3Å
704S91.8Very high93Very high31 Ų3152.6 Ų52.622%0.21729%0.29CS..SBendtrans-140.2162.1172.461.40000110.6D689 K690 V702D689-S704 PolarHBondContact O-OG 2.81Å; K690-S704 WeakPolarHBondContact CA-OG 3.22Å; K690-S704 WeakPolarHBondContact CD-OG 3.21Å; K690-S704 PolarHBondContact O-N 3.02Å; V702-S704 WeakPolarHBondContact CG1-O 3.43Å
705P91.2Very high93.1Very high102 Ų10252.5 Ų52.566%0.66229%0.291SS*.  trans-54.4141.2-177-27.736.2000113.3K690K690-P705 PolarHBondContact NZ-O 2.87Å
706L93.2Very high93.2Very high11 Ų1148.2 Ų48.26%0.05827%0.269CS..  trans-95.3161.3173.3-59.1169.7000108.6V656 E658 K690 F691 V702 I745V656-L706 HydrophobicContact CB-CD1 4.25Å; V656-L706 HydrophobicContact CG1-CD1 3.57Å; E658-L706 HydrophobicContact CB-CB 4.27Å; K690-L706 HydrophobicContact CB-CD2 4.17Å; K690-L706 HydrophobicContact CD-CD2 4.33Å; K690-L706 HydrophobicContact CG-CD2 4.47Å; F691-L706 HydrophobicContact CE1-CD1 4.28Å; F691-L706 HydrophobicContact CE1-CD2 4.05Å; F691-L706 HydrophobicContact CE2-CD2 4.44Å; F691-L706 HydrophobicContact CZ-CD2 3.69Å; V702-L706 HydrophobicContact CG1-CD1 4.16Å; V702-L706 HydrophobicContact CG1-CG 4.13Å; V702-L706 HydrophobicContact CG2-CD1 3.84Å; L706-I745 HydrophobicContact CD1-CD1 4.08Å; L706-I745 HydrophobicContact CD2-CD1 4.08Å; L706-I745 HydrophobicContact CG-CD1 4.47Å
707D92.5Very high93.3Very high62 Ų6250.5 Ų50.533%0.33227%0.265SS..  trans-163.8121.4-168.6168-46.8000105.7E658 E709 T710 R711E658-D707 WeakPolarHBondContact OE2-CA 3.32Å; D707-E709 PolarHBondContact OD1-N 2.87Å; D707-T710 WeakPolarHBondContact CB-OG1 3.23Å; D707-T710 PolarHBondContact O-OG1 2.91Å; D707-T710 WeakPolarHBondContact OD1-CB 3.49Å; D707-T710 WeakPolarHBondContact OD1-CG2 3.46Å; D707-T710 PolarHBondContact OD1-N 2.89Å; D707-T710 PolarHBondContact OD1-OG1 3.15Å; D707-R711 PolarHBondContact O-N 3.29Å
708Y93.4Very high93.4Very high54 Ų5447.1 Ų47.121%0.21224%0.244CC..Hα-helixtrans-80.4-43.4-172.6-174-93.6000111.5E658 T710 R711 T712 I745 D747 T784E658-Y708 VanDerWaalsContact OE1-CB 3.27Å; E658-Y708 WeakPolarHBondContact OE1-CB 3.26Å; E658-Y708 WeakPolarHBondContact OE2-CB 3.33Å; E658-Y708 PolarHBondContact OE2-N 2.98Å; Y708-T710 PolarHBondContact O-N 3.49Å; Y708-R711 PolarHBondContact O-N 2.78Å; Y708-T712 HydrophobicContact CD1-CG2 3.96Å; Y708-T712 HydrophobicContact CD2-CG2 3.81Å; Y708-T712 HydrophobicContact CE1-CG2 3.67Å; Y708-T712 HydrophobicContact CE2-CG2 3.53Å; Y708-T712 HydrophobicContact CG-CG2 4.01Å; Y708-T712 VanDerWaalsContact CZ-CG2 3.45Å; Y708-T712 WeakPolarHBondContact O-CG2 3.26Å; Y708-I745 HydrophobicContact CD2-CB 4.12Å; Y708-I745 HydrophobicContact CD2-CG2 4.06Å; Y708-I745 WeakPolarHBondContact CE2-O 3.47Å; Y708-D747 HydrophobicContact CD1-CB 3.97Å; Y708-D747 HydrophobicContact CD2-CB 3.88Å; Y708-D747 HydrophobicContact CE1-CB 3.96Å; Y708-D747 HydrophobicContact CE2-CB 3.86Å; Y708-D747 HydrophobicContact CG-CB 3.94Å; Y708-T784 HydrophobicContact CD1-CG2 4.46Å; Y708-T784 HydrophobicContact CE1-CG2 3.81Å
709E91.6Very high93.3Very high71 Ų7147.6 Ų47.633%0.33225%0.247SC..Hα-helixtrans-57-32.7178.4-81.653.1-116.300113.1D707 H751 R782D707-E709 PolarHBondContact OD1-N 2.87Å; E709-H751 IonicContact OE2-CE1 3.94Å; E709-R782 HydrophobicContact CG-CB 4.13Å
710T90.2Very high93Very high94 Ų9445.7 Ų45.758%0.57724%0.235SC*.Hα-helixtrans-82.5-49.4175.6560000112.6D707 Y708D707-T710 WeakPolarHBondContact CB-OG1 3.23Å; D707-T710 PolarHBondContact O-OG1 2.91Å; D707-T710 WeakPolarHBondContact OD1-CB 3.49Å; D707-T710 WeakPolarHBondContact OD1-CG2 3.46Å; D707-T710 PolarHBondContact OD1-N 2.89Å; D707-T710 PolarHBondContact OD1-OG1 3.15Å; Y708-T710 PolarHBondContact O-N 3.49Å
711R90.6Very high92.6Very high75 Ų7545.9 Ų45.928%0.28324%0.236SC..Hα-helixtrans-157.991.2-171.5-172.1167174.5-179.8-0.2114.3E688 D707 Y708 S713 Y714 I745E688-R711 WeakPolarHBondContact OE1-CD 3.07Å; E688-R711 IonicContact OE1-CZ 2.67Å; E688-R711 IonicContact OE1-NE 3.86Å; E688-R711 IonicContact OE1-NH1 3.49Å; E688-R711 PolarHBondContact OE1-NH1 2.96Å; D707-R711 PolarHBondContact O-N 3.29Å; Y708-R711 PolarHBondContact O-N 2.78Å; R711-S713 WeakPolarHBondContact CG-O 3.29Å; R711-S713 PolarHBondContact NE-O 3.12Å; R711-S713 VanDerWaalsContact NE-O 3.12Å; R711-S713 PolarHBondContact O-N 3.25Å; R711-S713 VanDerWaalsContact O-N 3.11Å; R711-Y714 HydrophobicContact CB-CE2 4.39Å; R711-Y714 VanDerWaalsContact CD-CE1 3.45Å; R711-Y714 HydrophobicContact CG-CE1 4.05Å; R711-Y714 HydrophobicContact CG-CE2 3.97Å; R711-Y714 WeakPolarHBondContact O-CE2 3.17Å; R711-I745 WeakPolarHBondContact O-CG1 3.15Å
712T92.1Very high92.1Very high63 Ų6342 Ų4239%0.38722%0.222SC..SBendtrans-61.7-13.6178.166.20000116.7Y708 I745Y708-T712 HydrophobicContact CD1-CG2 3.96Å; Y708-T712 HydrophobicContact CD2-CG2 3.81Å; Y708-T712 HydrophobicContact CE1-CG2 3.67Å; Y708-T712 HydrophobicContact CE2-CG2 3.53Å; Y708-T712 HydrophobicContact CG-CG2 4.01Å; Y708-T712 VanDerWaalsContact CZ-CG2 3.45Å; Y708-T712 WeakPolarHBondContact O-CG2 3.26Å; T712-I745 PolarHBondContact O-N 3.29Å
713S93.6Very high91.5Very high59 Ų5945.3 Ų45.341%0.41324%0.239SC..EExtended strand (participates in β ladder)trans-156.6151.4-179.158.50000116.2R711 I743R711-S713 WeakPolarHBondContact CG-O 3.29Å; R711-S713 PolarHBondContact NE-O 3.12Å; R711-S713 VanDerWaalsContact NE-O 3.12Å; R711-S713 PolarHBondContact O-N 3.25Å; R711-S713 VanDerWaalsContact O-N 3.11Å; S713-I743 WeakPolarHBondContact CA-O 3.04Å
714Y93.7Very high90.7Very high3 Ų350.4 Ų50.41%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-133.4145.9179.7-59.4-100.4000110.7K690 F691 R711 Y742 I743 I745K690-Y714 HydrophobicContact CB-CE1 4.25Å; K690-Y714 WeakPolarHBondContact CE-OH 3.28Å; K690-Y714 HydrophobicContact CG-CE1 3.65Å; F691-Y714 AromaticContact CE2-CD1 3.96Å; F691-Y714 HydrophobicContact CE2-CD1 3.96Å; F691-Y714 AromaticContact CE2-CD2 3.78Å; F691-Y714 HydrophobicContact CE2-CD2 3.78Å; F691-Y714 HydrophobicContact CE2-CE1 4.43Å; F691-Y714 HydrophobicContact CE2-CE2 4.29Å; F691-Y714 AromaticContact CE2-CG 3.62Å; F691-Y714 HydrophobicContact CE2-CG 3.62Å; F691-Y714 HydrophobicContact CZ-CD2 4.05Å; F691-Y714 HydrophobicContact CZ-CE2 4.44Å; F691-Y714 HydrophobicContact CZ-CG 4.34Å; R711-Y714 HydrophobicContact CB-CE2 4.39Å; R711-Y714 VanDerWaalsContact CD-CE1 3.45Å; R711-Y714 HydrophobicContact CG-CE1 4.05Å; R711-Y714 HydrophobicContact CG-CE2 3.97Å; R711-Y714 WeakPolarHBondContact O-CE2 3.17Å; Y714-Y742 WeakPolarHBondContact O-CA 3.46Å; Y714-I743 PolarHBondContact N-O 3.19Å; Y714-I743 PolarHBondContact O-N 2.86Å; Y714-I745 HydrophobicContact CD2-CD1 4.04Å; Y714-I745 HydrophobicContact CD2-CG1 4.23Å; Y714-I745 HydrophobicContact CE2-CD1 3.88Å; Y714-I745 HydrophobicContact CE2-CG1 3.88Å
715V95.6Very high90.1Very high61 Ų6149.3 Ų49.337%0.3725%0.254SS..EExtended strand (participates in β ladder)trans-126.981.4179.5-171.90000108.6K740 V741 Y742V715-K740 HydrophobicContact CG1-CD 4.31Å; V715-V741 CarbonylContact C-O 3.55Å; V715-V741 WeakPolarHBondContact CA-O 3.47Å; V715-Y742 HydrophobicContact CB-CD1 4.46Å; V715-Y742 HydrophobicContact CG1-CD1 4.04Å; V715-Y742 HydrophobicContact CG1-CE1 3.78Å; V715-Y742 HydrophobicContact CG2-CD1 3.73Å; V715-Y742 HydrophobicContact CG2-CE1 3.92Å
716L95.2Very high89.6Confident0 Ų046.8 Ų46.80%024%0.236CC..EExtended strand (participates in β ladder)trans-67.4138.2179.8-48.4-169.4000109.4I682 A684 G685 N686 F691 I700 K740 V741 I743I682-L716 HydrophobicContact CD1-CD1 4.07Å; I682-L716 HydrophobicContact CG1-CD1 4.41Å; A684-L716 WeakPolarHBondContact O-CA 3.4Å; G685-L716 WeakPolarHBondContact O-CD2 3.22Å; N686-L716 HydrophobicContact CB-CD2 4.06Å; F691-L716 HydrophobicContact CB-CD1 4.11Å; F691-L716 HydrophobicContact CD2-CD1 4.27Å; F691-L716 HydrophobicContact CD2-CD2 4.04Å; F691-L716 HydrophobicContact CG-CD1 4.31Å; I700-L716 HydrophobicContact CD1-CD1 4.45Å; I700-L716 HydrophobicContact CG2-CD1 4.26Å; L716-K740 CarbonylContact O-C 3.5Å; L716-K740 VanDerWaalsContact O-CA 3.27Å; L716-K740 WeakPolarHBondContact O-CA 3.34Å; L716-V741 HydrophobicContact CB-CB 4.16Å; L716-V741 PolarHBondContact N-O 2.82Å; L716-V741 PolarHBondContact O-N 3.11Å; L716-I743 HydrophobicContact CD1-CD1 3.61Å; L716-I743 HydrophobicContact CG-CD1 3.89Å
717R92.8Very high88.9Confident158 Ų15852.6 Ų52.660%0.59627%0.267SS*.EExtended strand (participates in β ladder)trans-99.5125.5162.1-59.9-169.7-170.7-170.73.8108V683 A684V683-R717 HydrophobicContact CG2-CB 3.84Å; V683-R717 WeakPolarHBondContact CG2-O 3.3Å; V683-R717 PolarHBondContact N-O 2.95Å; A684-R717 HydrophobicContact CB-CB 4.15Å; A684-R717 HydrophobicContact CB-CG 4.21Å; A684-R717 PolarHBondContact O-N 2.91Å
718V93.5Very high88.1Confident0 Ų052 Ų520%027%0.271CS..EExtended strand (participates in β ladder)trans-116.7140.4-179.2-67.80000109.9F646 I669 S681 I682 I700 T738 A739 V741F646-V718 HydrophobicContact CE1-CG2 4.4Å; F646-V718 HydrophobicContact CE2-CG2 4.28Å; F646-V718 HydrophobicContact CZ-CB 4.31Å; F646-V718 HydrophobicContact CZ-CG2 3.86Å; I669-V718 HydrophobicContact CD1-CB 3.6Å; I669-V718 HydrophobicContact CD1-CG1 3.9Å; I669-V718 HydrophobicContact CD1-CG2 3.63Å; S681-V718 CarbonylContact O-C 3.44Å; S681-V718 VanDerWaalsContact O-CA 3.31Å; S681-V718 WeakPolarHBondContact O-CA 3.44Å; I682-V718 HydrophobicContact CG1-CG1 4.05Å; I700-V718 HydrophobicContact CD1-CG1 4.45Å; V718-T738 WeakPolarHBondContact O-CA 3.45Å; V718-A739 HydrophobicContact CG2-CB 3.97Å; V718-A739 WeakPolarHBondContact CG2-O 3.45Å; V718-A739 PolarHBondContact N-O 2.94Å; V718-A739 PolarHBondContact O-N 3.46Å; V718-V741 HydrophobicContact CG1-CG2 3.97Å; V718-V741 HydrophobicContact CG2-CG2 3.93Å
719Q90.6Very high87.4Confident10 Ų1056.8 Ų56.85%0.04730%0.3CS..EExtended strand (participates in β ladder)trans-121138.6177.5-175.9169.7-7.900109.9S681 V683 D721 N737 T738S681-Q719 PolarHBondContact N-O 3.2Å; S681-Q719 PolarHBondContact O-N 2.84Å; V683-Q719 HydrophobicContact CG1-CB 3.77Å; V683-Q719 HydrophobicContact CG2-CB 4.41Å; Q719-D721 VanDerWaalsContact NE2-CG 3.28Å; Q719-D721 PolarHBondContact NE2-OD1 3.04Å; Q719-D721 PolarHBondContact NE2-OD2 2.76Å; Q719-N737 VanDerWaalsContact CA-O 3.32Å; Q719-N737 WeakPolarHBondContact CA-O 3.32Å; Q719-T738 HydrophobicContact CG-CG2 4.45Å
720A90.7Very high86.5Confident0 Ų054.4 Ų54.40%029%0.289CS..EExtended strand (participates in β ladder)trans-114.2103.8173.400000108.8P644 F646 A671 I678 Y680 N737P644-A720 HydrophobicContact CB-CB 4.07Å; P644-A720 WeakPolarHBondContact CB-O 3.45Å; P644-A720 VanDerWaalsContact CG-O 3.3Å; P644-A720 WeakPolarHBondContact CG-O 3.48Å; F646-A720 HydrophobicContact CE1-CB 3.94Å; F646-A720 HydrophobicContact CE2-CB 3.94Å; F646-A720 HydrophobicContact CZ-CB 3.56Å; A671-A720 HydrophobicContact CB-CB 3.6Å; I678-A720 HydrophobicContact CG2-CB 3.75Å; Y680-A720 HydrophobicContact CD1-CB 4.08Å; Y680-A720 HydrophobicContact CE1-CB 4.13Å; A720-N737 PolarHBondContact N-O 2.75Å; A720-N737 WeakPolarHBondContact O-CB 3.27Å; A720-N737 PolarHBondContact O-ND2 3.46Å
721D86.4Confident85.6Confident6 Ų656.4 Ų56.43%0.03229%0.286CS..EExtended strand (participates in β ladder)trans-99.7148.8175-68.3-55.5000109.6V679 Q719 V725 V726 R731 N737V679-D721 PolarHBondContact N-O 2.89Å; V679-D721 PolarHBondContact O-N 2.88Å; Q719-D721 VanDerWaalsContact NE2-CG 3.28Å; Q719-D721 PolarHBondContact NE2-OD1 3.04Å; Q719-D721 PolarHBondContact NE2-OD2 2.76Å; D721-V725 HydrophobicContact CB-CG1 4.44Å; D721-V726 HydrophobicContact CB-CG2 3.65Å; D721-R731 IonicContact OD2-NH1 3.77Å; D721-N737 PolarHBondContact OD1-ND2 2.93Å
722S85.5Confident84.8Confident1 Ų153 Ų531%0.00727%0.274CS..EExtended strand (participates in β ladder)trans-75.7148.1172.657.40000110.2Q676 S677 E724 V725 V726Q676-S722 PolarHBondContact OE1-OG 3.08Å; S677-S722 WeakPolarHBondContact O-CA 2.99Å; S722-E724 PolarHBondContact O-N 2.88Å; S722-E724 VanDerWaalsContact O-N 3.09Å; S722-V725 WeakPolarHBondContact O-CB 3.35Å; S722-V725 PolarHBondContact O-N 3.32Å; S722-V725 WeakPolarHBondContact OG-CG2 3.16Å; S722-V726 PolarHBondContact O-N 3Å
723L82.6Confident83.9Confident69 Ų6951.2 Ų51.236%0.36126%0.263SS..Hα-helixtrans-56.5-31.5-175.8-178.461.6000112.6S677 V679 V726 L727S677-L723 PolarHBondContact O-N 3.31Å; S677-L723 VanDerWaalsContact OG-CB 3.3Å; S677-L723 WeakPolarHBondContact OG-CB 3.23Å; S677-L723 WeakPolarHBondContact OG-CD2 3.31Å; V679-L723 HydrophobicContact CG2-CB 4.45Å; V679-L723 HydrophobicContact CG2-CD1 4.03Å; L723-V726 PolarHBondContact O-N 3.33Å; L723-L727 HydrophobicContact CD1-CD1 4.25Å; L723-L727 HydrophobicContact CD1-CG 4.14Å; L723-L727 HydrophobicContact CD2-CD1 4.5Å; L723-L727 HydrophobicContact CG-CD1 3.89Å; L723-L727 HydrophobicContact CG-CG 4.26Å; L723-L727 VanDerWaalsContact O-CB 3.3Å; L723-L727 WeakPolarHBondContact O-CB 3.28Å; L723-L727 WeakPolarHBondContact O-CG 3.4Å; L723-L727 PolarHBondContact O-N 2.94Å
724E78.9Confident83.2Confident128 Ų12848.8 Ų48.860%0.59825%0.246SC*.Hα-helixtrans-67.9-38.7177-60.1-178.6143.700112.5Q676 S722 A728Q676-E724 PolarHBondContact NE2-OE2 3.49Å; S722-E724 PolarHBondContact O-N 2.88Å; S722-E724 VanDerWaalsContact O-N 3.09Å; E724-A728 WeakPolarHBondContact O-CB 3.34Å; E724-A728 PolarHBondContact O-N 3.46Å; E724-A728 VanDerWaalsContact O-N 3.13Å
725V79.1Confident82.4Confident8 Ų854.9 Ų54.95%0.04827%0.273CS..Hα-helixtrans-67.9-42.9174.3168.90000110.6M545 D721 S722 A728 N729 L730 V732M545-V725 HydrophobicContact SD-CG2 4.13Å; D721-V725 HydrophobicContact CB-CG1 4.44Å; S722-V725 WeakPolarHBondContact O-CB 3.35Å; S722-V725 PolarHBondContact O-N 3.32Å; S722-V725 WeakPolarHBondContact OG-CG2 3.16Å; V725-A728 WeakPolarHBondContact O-CB 3.24Å; V725-A728 PolarHBondContact O-N 3Å; V725-N729 PolarHBondContact O-N 2.95Å; V725-L730 HydrophobicContact CG1-CB 4.31Å; V725-L730 WeakPolarHBondContact CG1-O 2.96Å; V725-L730 PolarHBondContact O-N 2.98Å; V725-L730 VanDerWaalsContact O-N 3.14Å; V725-V732 HydrophobicContact CG1-CG2 4.06Å; V725-V732 HydrophobicContact CG2-CG2 4.42Å
726V79.7Confident81.7Confident50 Ų5053.6 Ų53.630%0.30327%0.267SS..Hα-helixtrans-64.4-44.8176.5177.70000111.5V679 D721 S722 L723 A728 N729V679-V726 HydrophobicContact CB-CG2 4.05Å; V679-V726 HydrophobicContact CG1-CG2 4.49Å; V679-V726 HydrophobicContact CG2-CG2 4.13Å; D721-V726 HydrophobicContact CB-CG2 3.65Å; S722-V726 PolarHBondContact O-N 3Å; L723-V726 PolarHBondContact O-N 3.33Å; V726-A728 PolarHBondContact O-N 3.37Å; V726-N729 PolarHBondContact O-N 3.11Å; V726-N729 PolarHBondContact O-OD1 2.56Å
727L79.1Confident81.3Confident133 Ų13353.6 Ų53.670%0.69627%0.267SS*.Hα-helixtrans-65.3-22.2176.1-73.8171.1000113.1L723 N729L723-L727 HydrophobicContact CD1-CD1 4.25Å; L723-L727 HydrophobicContact CD1-CG 4.14Å; L723-L727 HydrophobicContact CD2-CD1 4.5Å; L723-L727 HydrophobicContact CG-CD1 3.89Å; L723-L727 HydrophobicContact CG-CG 4.26Å; L723-L727 VanDerWaalsContact O-CB 3.3Å; L723-L727 WeakPolarHBondContact O-CB 3.28Å; L723-L727 WeakPolarHBondContact O-CG 3.4Å; L723-L727 PolarHBondContact O-N 2.94Å; L727-N729 VanDerWaalsContact C-N 3.26Å
728A75.4Confident81.2Confident50 Ų5048.5 Ų48.541%0.41325%0.253SS..THydrogen-bonded Turntrans-80.1-3.8171.300000113.7E724 V725 V726 L730E724-A728 WeakPolarHBondContact O-CB 3.34Å; E724-A728 PolarHBondContact O-N 3.46Å; E724-A728 VanDerWaalsContact O-N 3.13Å; V725-A728 WeakPolarHBondContact O-CB 3.24Å; V725-A728 PolarHBondContact O-N 3Å; V726-A728 PolarHBondContact O-N 3.37Å; A728-L730 HydrophobicContact CB-CB 4.47Å; A728-L730 HydrophobicContact CB-CD1 4.24Å; A728-L730 HydrophobicContact CB-CG 4.18Å; A728-L730 PolarHBondContact O-N 2.94Å
729N77.8Confident81.1Confident153 Ų15348.8 Ų48.882%0.81826%0.256SS*.THydrogen-bonded Turntrans52.436.4-167.5-70.6-28.4000112.9V725 V726 L727V725-N729 PolarHBondContact O-N 2.95Å; V726-N729 PolarHBondContact O-N 3.11Å; V726-N729 PolarHBondContact O-OD1 2.56Å; L727-N729 VanDerWaalsContact C-N 3.26Å
730L72.7Confident81.2Confident22 Ų2252.2 Ų52.212%0.11527%0.27CS..  trans-109.2164.7172.3-64.9177.4000109.9M545 V725 A728M545-L730 HydrophobicContact CB-CD1 4.27Å; M545-L730 HydrophobicContact CE-CD1 4.21Å; M545-L730 HydrophobicContact CG-CD1 3.75Å; M545-L730 HydrophobicContact SD-CD1 3.85Å; V725-L730 HydrophobicContact CG1-CB 4.31Å; V725-L730 WeakPolarHBondContact CG1-O 2.96Å; V725-L730 PolarHBondContact O-N 2.98Å; V725-L730 VanDerWaalsContact O-N 3.14Å; A728-L730 HydrophobicContact CB-CB 4.47Å; A728-L730 HydrophobicContact CB-CD1 4.24Å; A728-L730 HydrophobicContact CB-CG 4.18Å; A728-L730 PolarHBondContact O-N 2.94Å
731R71.8Confident81.5Confident135 Ų13552.4 Ų52.451%0.50927%0.271SS..  trans-133.1142.1166.6-68.6-177.1-176.4-104.48.3107.4D721 P733D721-R731 IonicContact OD2-NH1 3.77Å; R731-P733 WeakPolarHBondContact O-CD 3.37Å
732V75Confident81.9Confident5 Ų554.4 Ų54.43%0.0328%0.279CS..  trans-12676.2179.1-170.30000109.4M545 A547 L638 V725 S734 N737M545-V732 HydrophobicContact CB-CG2 3.46Å; M545-V732 VanDerWaalsContact CB-CG2 3.46Å; M545-V732 HydrophobicContact SD-CG2 4.49Å; A547-V732 HydrophobicContact CB-CG1 4.33Å; L638-V732 HydrophobicContact CD1-CB 4.38Å; L638-V732 HydrophobicContact CD1-CG1 4.14Å; L638-V732 HydrophobicContact CD1-CG2 4.01Å; V725-V732 HydrophobicContact CG1-CG2 4.06Å; V725-V732 HydrophobicContact CG2-CG2 4.42Å; V732-S734 PolarHBondContact O-N 2.87Å; V732-N737 PolarHBondContact O-ND2 2.96Å; V732-N737 PolarHBondContact O-OD1 3.02Å
733P72.9Confident82.3Confident25 Ų2554.3 Ų54.316%0.16228%0.278CS..  trans-72.2116.7-178.726.9-30.4000111.4T554 P555 R731 T738T554-P733 HydrophobicContact CG2-CG 4.19Å; P555-P733 HydrophobicContact CG-CG 4.11Å; R731-P733 WeakPolarHBondContact O-CD 3.37Å; P733-T738 HydrophobicContact CB-CG2 4.34Å
734S79.2Confident82.9Confident8 Ų855.5 Ų55.56%0.05628%0.282CS..  trans-129.3169.7172.2174.70000109.5D549 V732 S736 N737 T738D549-S734 PolarHBondContact OD1-OG 2.98Å; D549-S734 PolarHBondContact OD2-OG 2.69Å; V732-S734 PolarHBondContact O-N 2.87Å; S734-S736 PolarHBondContact O-N 2.78Å; S734-N737 PolarHBondContact N-OD1 2.82Å; S734-N737 PolarHBondContact O-N 3.23Å; S734-N737 PolarHBondContact O-OD1 3Å; S734-T738 PolarHBondContact O-N 2.89Å; S734-T738 PolarHBondContact O-OG1 2.91Å; S734-T738 VanDerWaalsContact O-OG1 3.09Å
735K76.8Confident83.6Confident130 Ų13049.9 Ų49.957%0.56526%0.256SS*.THydrogen-bonded Turntrans-63.8-25.5176.3-64.8178.8-178.5173.60113.2
736S80.1Confident84.3Confident34 Ų3453.6 Ų53.624%0.23827%0.273CS..THydrogen-bonded Turntrans-73.4-38178.848.60000113.1I643 P644 R645 F646 S734I643-S736 WeakPolarHBondContact CG2-OG 3.04Å; P644-S736 CarbonylContact O-C 3.57Å; P644-S736 VanDerWaalsContact O-C 3.26Å; R645-S736 WeakPolarHBondContact CA-O 3.33Å; F646-S736 PolarHBondContact N-O 3.48Å; F646-S736 VanDerWaalsContact N-O 3.09Å; S734-S736 PolarHBondContact O-N 2.78Å
737N87.5Confident85Confident1 Ų152 Ų521%0.00526%0.263CS..THydrogen-bonded Turntrans-104.75.8-171.785.6-36.3000114.8I643 P644 F646 Q719 A720 D721 V732 S734I643-N737 HydrophobicContact CG2-CB 3.94Å; P644-N737 HydrophobicContact CB-CB 4.45Å; P644-N737 WeakPolarHBondContact O-CA 3.44Å; P644-N737 WeakPolarHBondContact O-CB 3.4Å; P644-N737 PolarHBondContact O-N 3.03Å; F646-N737 VanDerWaalsContact CE2-O 3.23Å; F646-N737 WeakPolarHBondContact CE2-O 3.46Å; Q719-N737 VanDerWaalsContact CA-O 3.32Å; Q719-N737 WeakPolarHBondContact CA-O 3.32Å; A720-N737 PolarHBondContact N-O 2.75Å; A720-N737 WeakPolarHBondContact O-CB 3.27Å; A720-N737 PolarHBondContact O-ND2 3.46Å; D721-N737 PolarHBondContact OD1-ND2 2.93Å; V732-N737 PolarHBondContact O-ND2 2.96Å; V732-N737 PolarHBondContact O-OD1 3.02Å; S734-N737 PolarHBondContact N-OD1 2.82Å; S734-N737 PolarHBondContact O-N 3.23Å; S734-N737 PolarHBondContact O-OD1 3Å
738T89.1Confident85.6Confident51 Ų5147.5 Ų47.531%0.31324%0.238SC..EExtended strand (participates in β ladder)trans-115.7135.9166.764.40000110.3V718 Q719 P733 S734V718-T738 WeakPolarHBondContact O-CA 3.45Å; Q719-T738 HydrophobicContact CG-CG2 4.45Å; P733-T738 HydrophobicContact CB-CG2 4.34Å; S734-T738 PolarHBondContact O-N 2.89Å; S734-T738 PolarHBondContact O-OG1 2.91Å; S734-T738 VanDerWaalsContact O-OG1 3.09Å
739A91.7Very high86.4Confident6 Ų646.9 Ų46.95%0.0523%0.228CC..EExtended strand (participates in β ladder)trans-136.2166.5173.900000110.6F646 E649 Y651 V718F646-A739 HydrophobicContact CB-CB 4.22Å; F646-A739 HydrophobicContact CD1-CB 4.42Å; F646-A739 HydrophobicContact CD2-CB 3.41Å; F646-A739 VanDerWaalsContact CD2-CB 3.41Å; F646-A739 HydrophobicContact CE2-CB 3.74Å; F646-A739 HydrophobicContact CG-CB 3.78Å; F646-A739 HydrophobicContact CZ-CB 4.4Å; E649-A739 WeakPolarHBondContact O-CA 3.26Å; E649-A739 WeakPolarHBondContact O-CB 3.24Å; Y651-A739 HydrophobicContact CD2-CB 4.19Å; Y651-A739 HydrophobicContact CE2-CB 3.93Å; V718-A739 HydrophobicContact CG2-CB 3.97Å; V718-A739 WeakPolarHBondContact CG2-O 3.45Å; V718-A739 PolarHBondContact N-O 2.94Å; V718-A739 PolarHBondContact O-N 3.46Å
740K94.1Very high87.1Confident81 Ų8143.2 Ų43.235%0.35221%0.208SC..EExtended strand (participates in β ladder)trans-104.9151.1171.5-57.5179.4-154.5153.10111.1E649 E650 Y651 V715 L716 Y742E649-K740 PolarHBondContact O-N 2.84Å; E650-K740 HydrophobicContact CG-CB 4.49Å; E650-K740 WeakPolarHBondContact OE1-CD 3.38Å; E650-K740 IonicContact OE1-NZ 2.73Å; E650-K740 PolarHBondContact OE1-NZ 2.82Å; Y651-K740 PolarHBondContact N-O 2.95Å; V715-K740 HydrophobicContact CG1-CD 4.31Å; L716-K740 CarbonylContact O-C 3.5Å; L716-K740 VanDerWaalsContact O-CA 3.27Å; L716-K740 WeakPolarHBondContact O-CA 3.34Å; K740-Y742 HydrophobicContact CB-CD2 4.41Å; K740-Y742 HydrophobicContact CB-CE2 3.84Å; K740-Y742 HydrophobicContact CD-CE2 3.95Å; K740-Y742 VanDerWaalsContact CD-OH 3.31Å; K740-Y742 WeakPolarHBondContact CD-OH 3.34Å; K740-Y742 PolarHBondContact NZ-OH 2.85Å
741V95.5Very high88Confident4 Ų444 Ų442%0.02421%0.211CC..EExtended strand (participates in β ladder)trans-125.6115.6167.4-166.90000108.1Y651 P653 I669 I700 V715 L716 V718 I743Y651-V741 HydrophobicContact CD2-CG2 4.43Å; Y651-V741 WeakPolarHBondContact O-CA 3.46Å; P653-V741 HydrophobicContact CG-CG1 3.98Å; I669-V741 HydrophobicContact CG2-CG2 3.92Å; I700-V741 HydrophobicContact CD1-CB 4.46Å; I700-V741 HydrophobicContact CD1-CG1 4.26Å; I700-V741 HydrophobicContact CD1-CG2 3.87Å; V715-V741 CarbonylContact C-O 3.55Å; V715-V741 WeakPolarHBondContact CA-O 3.47Å; L716-V741 HydrophobicContact CB-CB 4.16Å; L716-V741 PolarHBondContact N-O 2.82Å; L716-V741 PolarHBondContact O-N 3.11Å; V718-V741 HydrophobicContact CG1-CG2 3.97Å; V718-V741 HydrophobicContact CG2-CG2 3.93Å; V741-I743 HydrophobicContact CG1-CG1 4.05Å
742Y95.5Very high89Confident48 Ų4840.8 Ų40.819%0.18821%0.208CC..EExtended strand (participates in β ladder)trans-91.3111.5174-61.8-100.1000107.9E650 Y651 R652 P653 Y714 V715 K740E650-Y742 HydrophobicContact CB-CD2 4.46Å; E650-Y742 HydrophobicContact CB-CE2 3.99Å; E650-Y742 VanDerWaalsContact CD-OH 3.29Å; E650-Y742 HydrophobicContact CG-CE2 3.95Å; E650-Y742 WeakPolarHBondContact OE1-CE2 3.48Å; E650-Y742 PolarHBondContact OE1-OH 2.86Å; E650-Y742 WeakPolarHBondContact OE2-CE2 3.35Å; E650-Y742 PolarHBondContact OE2-OH 2.97Å; Y651-Y742 PolarHBondContact O-N 3.21Å; R652-Y742 HydrophobicContact CG-CD2 4.4Å; P653-Y742 WeakPolarHBondContact CD-O 3.04Å; Y714-Y742 WeakPolarHBondContact O-CA 3.46Å; V715-Y742 HydrophobicContact CB-CD1 4.46Å; V715-Y742 HydrophobicContact CG1-CD1 4.04Å; V715-Y742 HydrophobicContact CG1-CE1 3.78Å; V715-Y742 HydrophobicContact CG2-CD1 3.73Å; V715-Y742 HydrophobicContact CG2-CE1 3.92Å; K740-Y742 HydrophobicContact CB-CD2 4.41Å; K740-Y742 HydrophobicContact CB-CE2 3.84Å; K740-Y742 HydrophobicContact CD-CE2 3.95Å; K740-Y742 VanDerWaalsContact CD-OH 3.31Å; K740-Y742 WeakPolarHBondContact CD-OH 3.34Å; K740-Y742 PolarHBondContact NZ-OH 2.85Å
743I94.8Very high89.9Confident0 Ų040.9 Ų40.90%021%0.208CC..EExtended strand (participates in β ladder)trans-104117.2176.3-54.7170.8000106.7P653 V656 V666 F691 I700 S713 Y714 L716 V741 I745P653-I743 HydrophobicContact CG-CG1 4.13Å; V656-I743 HydrophobicContact CG2-CG2 3.81Å; V666-I743 HydrophobicContact CG1-CD1 3.99Å; V666-I743 HydrophobicContact CG1-CG1 4.02Å; V666-I743 HydrophobicContact CG1-CG2 3.95Å; F691-I743 HydrophobicContact CD1-CD1 3.85Å; F691-I743 HydrophobicContact CD2-CD1 3.87Å; F691-I743 HydrophobicContact CE1-CD1 3.8Å; F691-I743 HydrophobicContact CE1-CG2 4.07Å; F691-I743 HydrophobicContact CE2-CD1 3.82Å; F691-I743 HydrophobicContact CG-CD1 3.88Å; F691-I743 HydrophobicContact CZ-CB 4.31Å; F691-I743 HydrophobicContact CZ-CD1 3.78Å; F691-I743 HydrophobicContact CZ-CG2 3.8Å; I700-I743 HydrophobicContact CG2-CD1 4.49Å; S713-I743 WeakPolarHBondContact CA-O 3.04Å; Y714-I743 PolarHBondContact N-O 3.19Å; Y714-I743 PolarHBondContact O-N 2.86Å; L716-I743 HydrophobicContact CD1-CD1 3.61Å; L716-I743 HydrophobicContact CG-CD1 3.89Å; V741-I743 HydrophobicContact CG1-CG1 4.05Å; I743-I745 HydrophobicContact CG2-CD1 4.31Å
744E94.3Very high90.9Very high94 Ų9444 Ų4444%0.43923%0.227SC..EExtended strand (participates in β ladder)trans-98.7130.2175.4-68.6166.3-157.600107.3R652 P655 V656R652-E744 IonicContact NH1-OE1 2.71Å; P655-E744 CarbonylContact C-O 3.55Å; P655-E744 VanDerWaalsContact CA-O 3.23Å; P655-E744 WeakPolarHBondContact CA-O 3.2Å; V656-E744 PolarHBondContact N-O 2.79Å
745I94.5Very high91.6Very high10 Ų1044.4 Ų44.45%0.05123%0.228CC..EExtended strand (participates in β ladder)trans-85.4138.6176.8-51.2-53.9000108.1V656 E658 F691 L706 Y708 R711 T712 Y714 I743V656-I745 WeakPolarHBondContact O-CA 3Å; E658-I745 HydrophobicContact CB-CG2 3.85Å; F691-I745 HydrophobicContact CZ-CD1 4.42Å; L706-I745 HydrophobicContact CD1-CD1 4.08Å; L706-I745 HydrophobicContact CD2-CD1 4.08Å; L706-I745 HydrophobicContact CG-CD1 4.47Å; Y708-I745 HydrophobicContact CD2-CB 4.12Å; Y708-I745 HydrophobicContact CD2-CG2 4.06Å; Y708-I745 WeakPolarHBondContact CE2-O 3.47Å; R711-I745 WeakPolarHBondContact O-CG1 3.15Å; T712-I745 PolarHBondContact O-N 3.29Å; Y714-I745 HydrophobicContact CD2-CD1 4.04Å; Y714-I745 HydrophobicContact CD2-CG1 4.23Å; Y714-I745 HydrophobicContact CE2-CD1 3.88Å; Y714-I745 HydrophobicContact CE2-CG1 3.88Å; I743-I745 HydrophobicContact CG2-CD1 4.31Å
746Q92.7Very high92.2Very high85 Ų8544.1 Ų44.140%0.39723%0.228SC..EExtended strand (participates in β ladder)trans-96.3118.2171.2176.5-179.6-41.100109.1P655 V656 E658 E748P655-Q746 HydrophobicContact CB-CB 4.02Å; V656-Q746 PolarHBondContact O-N 2.95Å; E658-Q746 PolarHBondContact N-O 2.84Å; E658-Q746 VanDerWaalsContact N-O 3.14Å; Q746-E748 PolarHBondContact NE2-OE1 2.7Å
747D93.8Very high92.6Very high18 Ų1847.6 Ų47.610%0.09624%0.239CC..PPolyproline II helixtrans-47124.8162.7-173.7-34.4000110.6E658 Y708 T784 Y787E658-D747 WeakPolarHBondContact OE1-CA 3.48Å; Y708-D747 HydrophobicContact CD1-CB 3.97Å; Y708-D747 HydrophobicContact CD2-CB 3.88Å; Y708-D747 HydrophobicContact CE1-CB 3.96Å; Y708-D747 HydrophobicContact CE2-CB 3.86Å; Y708-D747 HydrophobicContact CG-CB 3.94Å; D747-T784 WeakPolarHBondContact OD2-CA 3.29Å; D747-T784 WeakPolarHBondContact OD2-CB 3.19Å; D747-T784 WeakPolarHBondContact OD2-CG2 3.39Å; D747-T784 PolarHBondContact OD2-N 3.22Å; D747-T784 PolarHBondContact OD2-OG1 2.63Å; D747-Y787 WeakPolarHBondContact O-CE2 3.27Å; D747-Y787 WeakPolarHBondContact OD1-CD2 3.42Å
748E92.5Very high92.6Very high37 Ų3756.5 Ų56.517%0.17328%0.278CS..  trans-122.9157.4174.2-63.7-70.6-176.200111.4S657 E658 L659 Q746 D750S657-E748 WeakPolarHBondContact CB-OE1 3.45Å; S657-E748 VanDerWaalsContact OG-CD 3.29Å; S657-E748 VanDerWaalsContact OG-CG 3.25Å; S657-E748 WeakPolarHBondContact OG-CG 3.46Å; S657-E748 PolarHBondContact OG-OE1 3.33Å; E658-E748 HydrophobicContact CG-CB 4.11Å; E658-E748 HydrophobicContact CG-CG 4.22Å; E658-E748 PolarHBondContact OE1-N 3.47Å; L659-E748 HydrophobicContact CD1-CB 3.76Å; L659-E748 HydrophobicContact CD1-CG 4.16Å; L659-E748 HydrophobicContact CG-CB 3.94Å; L659-E748 HydrophobicContact CG-CG 4.15Å; Q746-E748 PolarHBondContact NE2-OE1 2.7Å; E748-D750 PolarHBondContact O-N 3.41Å
749N93Very high92.7Very high37 Ų3757.3 Ų57.320%0.19828%0.277CS..SBendtrans-76.391.9-178-162.7-84.2000111D783 Y787 D837 L843N749-D783 WeakPolarHBondContact CA-OD2 3.39Å; N749-Y787 HydrophobicContact CB-CD1 3.95Å; N749-Y787 HydrophobicContact CB-CD2 4.03Å; N749-Y787 HydrophobicContact CB-CE1 4.17Å; N749-Y787 HydrophobicContact CB-CE2 4.27Å; N749-Y787 HydrophobicContact CB-CG 3.88Å; N749-Y787 WeakPolarHBondContact ND2-CD1 3.49Å; N749-D837 PolarHBondContact ND2-OD1 2.83Å; N749-D837 PolarHBondContact OD1-OD1 3.05Å; N749-L843 WeakPolarHBondContact OD1-CD1 3.39Å; N749-L843 WeakPolarHBondContact OD1-CG 3.32Å; N749-L843 PolarHBondContact OD1-N 2.89Å
750D91.6Very high92.8Very high77 Ų7758 Ų5841%0.41228%0.278SS..  trans-122.6-37.9-168.2154.5-78.6000111.8E748 D783 L843E748-D750 PolarHBondContact O-N 3.41Å; D750-D783 PolarHBondContact N-OD2 3.44Å; D750-L843 WeakPolarHBondContact O-CD1 3.45Å
751H91.5Very high92.7Very high38 Ų3855.1 Ų55.118%0.17627%0.267CS..SBendtrans-89.9139.8174.2-62.888.2000112.6E709 D781 R782 D783 L843E709-H751 IonicContact OE2-CE1 3.94Å; H751-D781 VanDerWaalsContact C-OD1 3.32Å; H751-D781 WeakPolarHBondContact CB-OD1 3.34Å; H751-R782 HydrophobicContact CB-CB 4.28Å; H751-R782 WeakPolarHBondContact CD2-CD 3.41Å; H751-R782 VanDerWaalsContact NE2-CD 3.28Å; H751-R782 WeakPolarHBondContact NE2-CD 3.43Å; H751-R782 PolarHBondContact NE2-NH1 2.82Å; H751-D783 WeakPolarHBondContact CB-OD1 3.41Å; H751-D783 IonicContact CG-OD1 3.68Å; H751-D783 PolarHBondContact N-OD1 2.87Å; H751-D783 VanDerWaalsContact N-OD1 3.16Å; H751-D783 PolarHBondContact N-OD2 3.35Å; H751-D783 VanDerWaalsContact N-OD2 3.09Å; H751-D783 IonicContact ND1-OD1 2.72Å; H751-D783 PolarHBondContact ND1-OD1 3.29Å; H751-L843 WeakPolarHBondContact O-CD1 3.46Å
752P92.4Very high92.5Very high68 Ų6855 Ų5544%0.44227%0.266SS..PPolyproline II helixtrans-94.6142.2177.833.9-33.3000113.4V754 L843P752-V754 WeakPolarHBondContact O-CG2 3.21Å; P752-V754 PolarHBondContact O-N 3.41Å; P752-L843 HydrophobicContact CB-CB 4.08Å; P752-L843 HydrophobicContact CB-CD1 4.33Å
753P94.3Very high92.3Very high6 Ų653 Ų534%0.03926%0.26CS..PPolyproline II helixtrans-49.9120.6-175.1-30.930.2000116.4A779 D781 M790 A835 D837 G845P753-A779 HydrophobicContact CB-CB 4.38Å; P753-D781 WeakPolarHBondContact CA-OD2 3.44Å; P753-D781 WeakPolarHBondContact CD-OD2 3.11Å; P753-D781 WeakPolarHBondContact CG-OD2 3.37Å; P753-M790 HydrophobicContact CB-CE 4.24Å; P753-M790 HydrophobicContact CB-SD 3.7Å; P753-M790 HydrophobicContact CG-CE 3.99Å; P753-M790 HydrophobicContact CG-SD 3.91Å; P753-A835 HydrophobicContact CB-CB 3.98Å; P753-D837 WeakPolarHBondContact CD-OD2 3.47Å; P753-D837 HydrophobicContact CG-CB 4.2Å; P753-D837 WeakPolarHBondContact CG-OD2 3.49Å; P753-G845 WeakPolarHBondContact O-CA 3.34Å
754V93.8Very high92.2Very high91 Ų9153.3 Ų53.355%0.55226%0.262SS*.EExtended strand (participates in β ladder)trans-102.1115.1179.3-172.90000111.2P752 A779 T780P752-V754 WeakPolarHBondContact O-CG2 3.21Å; P752-V754 PolarHBondContact O-N 3.41Å; V754-A779 CarbonylContact O-C 3.53Å; V754-A779 VanDerWaalsContact O-CA 3.23Å; V754-A779 WeakPolarHBondContact O-CA 3.47Å; V754-T780 PolarHBondContact N-O 3.09Å; V754-T780 PolarHBondContact O-N 3.25Å; V754-T780 PolarHBondContact O-OG1 2.8Å
755F94.4Very high92Very high16 Ų1649 Ų497%0.0724%0.243CC..EExtended strand (participates in β ladder)trans-69.7136.4171.5-78.9-84000112.1K757 Y760 V777 K778 A779 Y792 V833 A835 A847F755-K757 PolarHBondContact O-N 3.29Å; F755-K757 VanDerWaalsContact O-N 3.12Å; F755-Y760 HydrophobicContact CB-CE2 4.37Å; F755-Y760 AromaticContact CD1-CE2 3.89Å; F755-Y760 HydrophobicContact CD1-CE2 3.89Å; F755-Y760 HydrophobicContact CG-CE2 4.45Å; F755-V777 HydrophobicContact CD1-CB 4.42Å; F755-V777 HydrophobicContact CE1-CB 4.05Å; F755-V777 HydrophobicContact CE1-CG2 4.04Å; F755-K778 WeakPolarHBondContact CA-O 3.01Å; F755-A779 HydrophobicContact CD1-CB 4.1Å; F755-A779 HydrophobicContact CE1-CB 4.29Å; F755-A779 HydrophobicContact CG-CB 4.24Å; F755-Y792 HydrophobicContact CE1-CD1 4.07Å; F755-Y792 AromaticContact CE1-CE1 3.78Å; F755-Y792 HydrophobicContact CE1-CE1 3.78Å; F755-Y792 HydrophobicContact CZ-CD1 4.17Å; F755-Y792 HydrophobicContact CZ-CE1 4.16Å; F755-V833 HydrophobicContact CD1-CG1 4.44Å; F755-V833 HydrophobicContact CE1-CG1 3.69Å; F755-V833 HydrophobicContact CE1-CG2 4.28Å; F755-V833 HydrophobicContact CE2-CG1 4.36Å; F755-V833 HydrophobicContact CZ-CB 4.35Å; F755-V833 HydrophobicContact CZ-CG1 3.64Å; F755-V833 HydrophobicContact CZ-CG2 4.03Å; F755-A835 HydrophobicContact CE1-CB 4.19Å; F755-A835 HydrophobicContact CE2-CB 3.68Å; F755-A835 HydrophobicContact CZ-CB 3.45Å; F755-A835 VanDerWaalsContact CZ-CB 3.45Å; F755-A847 HydrophobicContact CB-CB 3.96Å; F755-A847 HydrophobicContact CD1-CB 4.07Å; F755-A847 HydrophobicContact CD2-CB 3.75Å; F755-A847 HydrophobicContact CE2-CB 4.22Å; F755-A847 HydrophobicContact CG-CB 3.66Å
756Q89.5Confident91.8Very high124 Ų12450 Ų5058%0.57925%0.247SC*.SBendtrans-58-28177.6-67.5-169.9-3900113.9K778Q756-K778 HydrophobicContact CG-CB 4.26Å; Q756-K778 HydrophobicContact CG-CG 4.45Å; Q756-K778 PolarHBondContact N-O 3.42Å
757K88.2Confident91.4Very high108 Ų10851 Ų5147%0.4726%0.255SS..  trans-135.8132.5175.7-60.8-174.4179.6-1760108.6F755 F759 Y760F755-K757 PolarHBondContact O-N 3.29Å; F755-K757 VanDerWaalsContact O-N 3.12Å; K757-F759 VanDerWaalsContact C-N 3.28Å; K757-F759 PolarHBondContact O-N 2.88Å; K757-Y760 HydrophobicContact CB-CD2 4.47Å; K757-Y760 HydrophobicContact CB-CE1 4.28Å; K757-Y760 HydrophobicContact CB-CE2 4.18Å; K757-Y760 WeakPolarHBondContact O-CE2 3.42Å
758K88.7Confident91.1Very high187 Ų18750.8 Ų50.881%0.81326%0.256SS*.SBendtrans-71.6-24.2176.7-68-175.2178.3179.60112.9D848K758-D848 PolarHBondContact O-N 3.24Å
759F90.9Very high91Very high68 Ų6859 Ų5930%0.29829%0.285SS..EExtended strand (participates in β ladder)trans-131.6118.3178.7-165.5-115.7000108.6K757 I761 D848 L850 P926K757-F759 VanDerWaalsContact C-N 3.28Å; K757-F759 PolarHBondContact O-N 2.88Å; F759-I761 HydrophobicContact CD1-CD1 3.85Å; F759-I761 HydrophobicContact CD1-CG1 3.63Å; F759-I761 HydrophobicContact CE1-CD1 3.67Å; F759-I761 HydrophobicContact CE1-CG1 3.5Å; F759-I761 HydrophobicContact CZ-CG1 4.5Å; F759-D848 WeakPolarHBondContact CA-O 3.24Å; F759-D848 HydrophobicContact CD2-CB 3.57Å; F759-D848 HydrophobicContact CE2-CB 4.02Å; F759-L850 HydrophobicContact CE1-CB 4.27Å; F759-L850 HydrophobicContact CE1-CD2 4.2Å; F759-L850 HydrophobicContact CE2-CB 4.3Å; F759-L850 HydrophobicContact CZ-CB 3.71Å; F759-L850 HydrophobicContact CZ-CD2 3.98Å; F759-L850 HydrophobicContact CZ-CG 4.46Å; F759-P926 HydrophobicContact CE1-CB 4.07Å
760Y92.6Very high90.8Very high20 Ų2062.5 Ų62.58%0.07830%0.302CS..EExtended strand (participates in β ladder)trans-101135.8173.2-74.2-92.8000109.7F755 K757 L775 V777 K778 A847 D848 V849 L850F755-Y760 HydrophobicContact CB-CE2 4.37Å; F755-Y760 AromaticContact CD1-CE2 3.89Å; F755-Y760 HydrophobicContact CD1-CE2 3.89Å; F755-Y760 HydrophobicContact CG-CE2 4.45Å; K757-Y760 HydrophobicContact CB-CD2 4.47Å; K757-Y760 HydrophobicContact CB-CE1 4.28Å; K757-Y760 HydrophobicContact CB-CE2 4.18Å; K757-Y760 WeakPolarHBondContact O-CE2 3.42Å; Y760-L775 HydrophobicContact CD1-CD1 4.09Å; Y760-L775 HydrophobicContact CG-CD1 4.35Å; Y760-V777 HydrophobicContact CD1-CG1 4.12Å; Y760-V777 HydrophobicContact CD2-CG1 4.02Å; Y760-V777 HydrophobicContact CE1-CB 4.26Å; Y760-V777 HydrophobicContact CE1-CG1 4.18Å; Y760-V777 HydrophobicContact CE2-CB 4.17Å; Y760-V777 HydrophobicContact CE2-CG1 4.07Å; Y760-V777 HydrophobicContact CG-CG1 4.04Å; Y760-K778 PolarHBondContact OH-N 2.87Å; Y760-K778 PolarHBondContact OH-O 2.85Å; Y760-A847 HydrophobicContact CD2-CB 4.08Å; Y760-A847 HydrophobicContact CE2-CB 4.04Å; Y760-D848 PolarHBondContact N-O 2.86Å; Y760-V849 CarbonylContact O-C 3.6Å; Y760-V849 WeakPolarHBondContact O-CA 3.2Å; Y760-L850 PolarHBondContact O-N 3.43Å
761I92.3Very high90.7Very high21 Ų2165.1 Ų65.111%0.10831%0.31CS..EExtended strand (participates in β ladder)trans-122.6133.1176-52.4174.5000108.1F759 L850 K894 I924 P926F759-I761 HydrophobicContact CD1-CD1 3.85Å; F759-I761 HydrophobicContact CD1-CG1 3.63Å; F759-I761 HydrophobicContact CE1-CD1 3.67Å; F759-I761 HydrophobicContact CE1-CG1 3.5Å; F759-I761 HydrophobicContact CZ-CG1 4.5Å; I761-L850 WeakPolarHBondContact CA-O 3.34Å; I761-L850 HydrophobicContact CG1-CD2 4.47Å; I761-L850 HydrophobicContact CG2-CD2 4.28Å; I761-K894 HydrophobicContact CB-CB 3.74Å; I761-K894 HydrophobicContact CB-CG 4.02Å; I761-K894 HydrophobicContact CD1-CB 4.09Å; I761-K894 HydrophobicContact CG1-CB 4.48Å; I761-K894 HydrophobicContact CG2-CB 3.8Å; I761-K894 HydrophobicContact CG2-CG 4.31Å; I761-I924 HydrophobicContact CG2-CB 3.84Å; I761-I924 HydrophobicContact CG2-CD1 4.15Å; I761-I924 HydrophobicContact CG2-CG2 3.67Å; I761-P926 HydrophobicContact CD1-CB 3.96Å
762G90.5Very high90.6Very high1 Ų164.8 Ų64.81%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-148.6-176.7168.600000110.4L850 V851 S852 I924G762-L850 PolarHBondContact N-O 3.16Å; G762-V851 WeakPolarHBondContact O-CA 3.4Å; G762-S852 PolarHBondContact O-N 3.01Å; G762-S852 VanDerWaalsContact O-N 3.13Å; G762-I924 WeakPolarHBondContact O-CD1 3.19Å
763G91.4Very high90.6Very high6 Ų665.4 Ų65.46%0.06232%0.32CS..EExtended strand (participates in β ladder)trans-146.5175.2175.400000112.5S852 Y922G763-S852 CarbonylContact C-O 3.6Å; G763-S852 WeakPolarHBondContact CA-O 3.21Å; G763-Y922 VanDerWaalsContact CA-OH 3.26Å; G763-Y922 WeakPolarHBondContact CA-OH 3.49Å; G763-Y922 PolarHBondContact O-OH 2.95Å
764V92.5Very high90.5Very high7 Ų766 Ų664%0.04232%0.323CS..EExtended strand (participates in β ladder)trans-141.1134.7176-67.40000109.7A768 V774 F806 T817 F821 V851 S852 V853 V854V764-A768 HydrophobicContact CB-CB 4.41Å; V764-V774 HydrophobicContact CG1-CB 4.46Å; V764-V774 HydrophobicContact CG1-CG1 4.02Å; V764-V774 HydrophobicContact CG1-CG2 3.7Å; V764-F806 HydrophobicContact CG1-CE1 4.24Å; V764-T817 HydrophobicContact CG1-CG2 3.74Å; V764-F821 HydrophobicContact CB-CD2 4.29Å; V764-F821 HydrophobicContact CB-CE2 4.43Å; V764-F821 HydrophobicContact CG1-CE2 4.49Å; V764-F821 HydrophobicContact CG2-CB 4.46Å; V764-F821 HydrophobicContact CG2-CD1 4.08Å; V764-F821 HydrophobicContact CG2-CD2 3.75Å; V764-F821 HydrophobicContact CG2-CE1 4.24Å; V764-F821 HydrophobicContact CG2-CE2 3.96Å; V764-F821 HydrophobicContact CG2-CG 3.83Å; V764-F821 HydrophobicContact CG2-CZ 4.2Å; V764-V851 HydrophobicContact CG1-CG1 3.94Å; V764-V851 HydrophobicContact CG2-CG1 4.08Å; V764-S852 PolarHBondContact N-O 3.5Å; V764-V853 HydrophobicContact CG2-CG2 4.03Å; V764-V853 WeakPolarHBondContact O-CA 3.27Å; V764-V854 PolarHBondContact O-N 3.13Å
765S90.6Very high90.3Very high4 Ų462.8 Ų62.83%0.02830%0.303CS..EExtended strand (participates in β ladder)trans-69.5151.7168.3-172.60000111.5D767 A768 V854 E898S765-D767 VanDerWaalsContact CB-OD1 3.23Å; S765-D767 WeakPolarHBondContact CB-OD1 3.39Å; S765-D767 PolarHBondContact O-N 2.77Å; S765-D767 PolarHBondContact OG-OD1 2.85Å; S765-A768 WeakPolarHBondContact O-CB 3.41Å; S765-A768 PolarHBondContact O-N 3.14Å; S765-V854 CarbonylContact C-O 3.59Å; S765-V854 VanDerWaalsContact CA-O 3.28Å; S765-V854 WeakPolarHBondContact CA-O 3.28Å; S765-E898 WeakPolarHBondContact CB-OE1 3.44Å
766E90Very high90.2Very high30 Ų3069.2 Ų69.214%0.1433%0.327CS..THydrogen-bonded Turntrans-58.5-29.8176.6-68.4-172.1125.700113.2F821 H822 N823 M824 R825 V853 V854 N855E766-F821 WeakPolarHBondContact CG-O 3.37Å; E766-F821 CarbonylContact O-C 3.56Å; E766-H822 PolarHBondContact O-CE1 2.74Å; E766-H822 PolarHBondContact O-N 2.85Å; E766-H822 PolarHBondContact O-ND1 2.67Å; E766-N823 WeakPolarHBondContact OE1-CA 3.21Å; E766-N823 PolarHBondContact OE1-N 3.06Å; E766-N823 VanDerWaalsContact OE1-N 3.09Å; E766-M824 PolarHBondContact OE1-N 3.18Å; E766-R825 WeakPolarHBondContact OE1-CB 3.28Å; E766-R825 PolarHBondContact OE1-N 2.6Å; E766-V853 HydrophobicContact CG-CG1 3.8Å; E766-V854 PolarHBondContact N-O 2.85Å; E766-N855 HydrophobicContact CG-CB 4.14Å; E766-N855 WeakPolarHBondContact OE2-CB 3.35Å; E766-N855 PolarHBondContact OE2-ND2 2.81Å
767D86Confident90.4Very high107 Ų10763.4 Ų63.457%0.57230%0.299SS*.THydrogen-bonded Turntrans-92.44.7176.968.4-30.7000114.1S765 R769S765-D767 VanDerWaalsContact CB-OD1 3.23Å; S765-D767 WeakPolarHBondContact CB-OD1 3.39Å; S765-D767 PolarHBondContact O-N 2.77Å; S765-D767 PolarHBondContact OG-OD1 2.85Å; D767-R769 PolarHBondContact O-N 3.49Å
768A86.6Confident90.6Very high14 Ų1463.3 Ų63.312%0.11630%0.299CS..PPolyproline II helixtrans-55.512517500000111V764 S765 L820V764-A768 HydrophobicContact CB-CB 4.41Å; S765-A768 WeakPolarHBondContact O-CB 3.41Å; S765-A768 PolarHBondContact O-N 3.14Å; A768-L820 WeakPolarHBondContact O-CD2 3.32Å
769R89.6Confident90.9Very high208 Ų20854.7 Ų54.779%0.78526%0.263SS*.PPolyproline II helixtrans-65.1157.6178.3-60.4-178.3-175.6179.63110.3D767 A772 T817D767-R769 PolarHBondContact O-N 3.49Å; R769-A772 WeakPolarHBondContact O-CB 3.04Å; R769-A772 PolarHBondContact O-N 3.21Å; R769-T817 PolarHBondContact O-OG1 3.21Å
770M89.4Confident90.9Very high111 Ų11154.6 Ų54.655%0.54727%0.268SS..THydrogen-bonded Turntrans-61.4143.4167.6-60-172.3-5900110.1A772 L820M770-A772 PolarHBondContact O-N 3.19Å; M770-L820 HydrophobicContact CG-CD2 3.86Å; M770-L820 HydrophobicContact CG-CG 4.15Å
771F89.8Confident90.9Very high132 Ų13254.7 Ų54.758%0.57927%0.27SS*.THydrogen-bonded Turntrans61.519-172.6-50.6-73.7000115.9V807 T817F771-V807 HydrophobicContact CD1-CG2 4.35Å; F771-V807 HydrophobicContact CE1-CG2 4.27Å; F771-T817 WeakPolarHBondContact CA-O 3.45Å; F771-T817 PolarHBondContact N-O 3.23Å; F771-T817 PolarHBondContact N-OG1 3.2Å
772A89.8Confident90.9Very high32 Ų3261.9 Ų61.926%0.26430%0.295SS..  trans-65.1143.716500000110.5R769 M770 K816 T817R769-A772 WeakPolarHBondContact O-CB 3.04Å; R769-A772 PolarHBondContact O-N 3.21Å; M770-A772 PolarHBondContact O-N 3.19Å; A772-K816 CarbonylContact O-C 3.56Å; A772-K816 WeakPolarHBondContact O-CA 3.45Å; A772-T817 HydrophobicContact CB-CG2 4.29Å; A772-T817 PolarHBondContact N-OG1 2.92Å; A772-T817 PolarHBondContact O-N 2.73Å
773S91.4Very high90.9Very high81 Ų8161.8 Ų61.857%0.56630%0.295SS*.EExtended strand (participates in β ladder)trans-75.8136.1178.7-60.10000110.8
774V91.6Very high90.8Very high17 Ų1764.3 Ų64.310%0.10331%0.309CS..EExtended strand (participates in β ladder)trans-109.5-55.1-176.6-175.50000111.2V764 F806 I815 T817 V851V764-V774 HydrophobicContact CG1-CB 4.46Å; V764-V774 HydrophobicContact CG1-CG1 4.02Å; V764-V774 HydrophobicContact CG1-CG2 3.7Å; V774-F806 HydrophobicContact CG2-CD1 4.19Å; V774-F806 HydrophobicContact CG2-CE1 4.15Å; V774-I815 HydrophobicContact CB-CG2 4.39Å; V774-I815 PolarHBondContact N-O 3.45Å; V774-T817 HydrophobicContact CG2-CG2 3.8Å; V774-V851 HydrophobicContact CG1-CG1 3.84Å; V774-V851 HydrophobicContact CG1-CG2 3.89Å
775L91.3Very high90.6Very high25 Ų2566.8 Ų66.813%0.13134%0.336CS..EExtended strand (participates in β ladder)trans-162.2161.4175.164.590.9000109.8Y760 V777 I815 V849Y760-L775 HydrophobicContact CD1-CD1 4.09Å; Y760-L775 HydrophobicContact CG-CD1 4.35Å; L775-V777 HydrophobicContact CD1-CG1 3.51Å; L775-I815 HydrophobicContact CD1-CD1 3.8Å; L775-I815 HydrophobicContact CD1-CG1 4.27Å; L775-I815 HydrophobicContact CG-CB 4.47Å; L775-I815 HydrophobicContact CG-CD1 4.29Å; L775-I815 PolarHBondContact O-N 3.37Å; L775-V849 HydrophobicContact CD2-CG1 3.97Å
776R91.9Very high90.6Very high151 Ų15170.6 Ų70.657%0.5736%0.356SS*.EExtended strand (participates in β ladder)trans-106.6126.1171-165.1-170.6-58.8-106.84109.3T812 G813 L814R776-T812 WeakPolarHBondContact CG-O 3.31Å; R776-G813 WeakPolarHBondContact CA-O 3.47Å; R776-L814 HydrophobicContact CB-CD1 4.47Å
777V93.8Very high90.7Very high1 Ų172.1 Ų72.11%0.00636%0.361CS..  trans-89.9149.7167.3-56.80000109.7F755 Y760 L775 Y792 G813 I815 V833F755-V777 HydrophobicContact CD1-CB 4.42Å; F755-V777 HydrophobicContact CE1-CB 4.05Å; F755-V777 HydrophobicContact CE1-CG2 4.04Å; Y760-V777 HydrophobicContact CD1-CG1 4.12Å; Y760-V777 HydrophobicContact CD2-CG1 4.02Å; Y760-V777 HydrophobicContact CE1-CB 4.26Å; Y760-V777 HydrophobicContact CE1-CG1 4.18Å; Y760-V777 HydrophobicContact CE2-CB 4.17Å; Y760-V777 HydrophobicContact CE2-CG1 4.07Å; Y760-V777 HydrophobicContact CG-CG1 4.04Å; L775-V777 HydrophobicContact CD1-CG1 3.51Å; V777-Y792 HydrophobicContact CG2-CD1 3.72Å; V777-Y792 HydrophobicContact CG2-CE1 3.9Å; V777-Y792 HydrophobicContact CG2-CG 4.21Å; V777-G813 WeakPolarHBondContact CG2-O 3.44Å; V777-G813 PolarHBondContact N-O 2.85Å; V777-I815 HydrophobicContact CG1-CD1 3.85Å; V777-I815 HydrophobicContact CG1-CG1 4.43Å; V777-V833 HydrophobicContact CG1-CG1 4.15Å; V777-V833 HydrophobicContact CG2-CG2 3.97Å
778K92.9Very high90.9Very high107 Ų10769.2 Ų69.247%0.46535%0.349SS..  trans-138.5134.2170.8-171.1172178.8-175.80110.8F755 Q756 Y760F755-K778 WeakPolarHBondContact CA-O 3.01Å; Q756-K778 HydrophobicContact CG-CB 4.26Å; Q756-K778 HydrophobicContact CG-CG 4.45Å; Q756-K778 PolarHBondContact N-O 3.42Å; Y760-K778 PolarHBondContact OH-N 2.87Å; Y760-K778 PolarHBondContact OH-O 2.85Å
779A93Very high91.1Very high6 Ų669.3 Ų69.35%0.0535%0.35CS..EExtended strand (participates in β ladder)trans-114.3162.7164.200000110.1P753 V754 F755 M790 Y792 A835P753-A779 HydrophobicContact CB-CB 4.38Å; V754-A779 CarbonylContact O-C 3.53Å; V754-A779 VanDerWaalsContact O-CA 3.23Å; V754-A779 WeakPolarHBondContact O-CA 3.47Å; F755-A779 HydrophobicContact CD1-CB 4.1Å; F755-A779 HydrophobicContact CE1-CB 4.29Å; F755-A779 HydrophobicContact CG-CB 4.24Å; A779-M790 HydrophobicContact CB-CG 4.27Å; A779-M790 HydrophobicContact CB-SD 3.84Å; A779-Y792 HydrophobicContact CB-CE1 4.14Å; A779-Y792 PolarHBondContact N-OH 2.87Å; A779-A835 HydrophobicContact CB-CB 3.67Å
780T92.5Very high91.2Very high65 Ų6560.3 Ų60.340%0.39932%0.317SS..EExtended strand (participates in β ladder)trans-142.7140.8178.347.40000108.4V754V754-T780 PolarHBondContact N-O 3.09Å; V754-T780 PolarHBondContact O-N 3.25Å; V754-T780 PolarHBondContact O-OG1 2.8Å
781D91.8Very high91.5Very high23 Ų2355.4 Ų55.412%0.12329%0.294CS..  trans-110.4177.9166.3-107.8-52.2000112.4H751 P753 M790H751-D781 VanDerWaalsContact C-OD1 3.32Å; H751-D781 WeakPolarHBondContact CB-OD1 3.34Å; P753-D781 WeakPolarHBondContact CA-OD2 3.44Å; P753-D781 WeakPolarHBondContact CD-OD2 3.11Å; P753-D781 WeakPolarHBondContact CG-OD2 3.37Å; D781-M790 HydrophobicContact CB-CE 4.07Å; D781-M790 WeakPolarHBondContact OD2-CE 3.34Å
782R92Very high91.8Very high171 Ų17149.9 Ų49.965%0.64527%0.269SS*.SBendtrans-97.6-48171.6-73.8171.5170.9-175.7-3.4111E709 H751E709-R782 HydrophobicContact CG-CB 4.13Å; H751-R782 HydrophobicContact CB-CB 4.28Å; H751-R782 WeakPolarHBondContact CD2-CD 3.41Å; H751-R782 VanDerWaalsContact NE2-CD 3.28Å; H751-R782 WeakPolarHBondContact NE2-CD 3.43Å; H751-R782 PolarHBondContact NE2-NH1 2.82Å
783D92.1Very high92Very high0 Ų054.4 Ų54.40%028%0.28CS..SBendtrans-46.4146.9170.5-45.45.5000110.7N749 D750 H751 S788N749-D783 WeakPolarHBondContact CA-OD2 3.39Å; D750-D783 PolarHBondContact N-OD2 3.44Å; H751-D783 WeakPolarHBondContact CB-OD1 3.41Å; H751-D783 IonicContact CG-OD1 3.68Å; H751-D783 PolarHBondContact N-OD1 2.87Å; H751-D783 VanDerWaalsContact N-OD1 3.16Å; H751-D783 PolarHBondContact N-OD2 3.35Å; H751-D783 VanDerWaalsContact N-OD2 3.09Å; H751-D783 IonicContact ND1-OD1 2.72Å; H751-D783 PolarHBondContact ND1-OD1 3.29Å; D783-S788 WeakPolarHBondContact O-CB 3.44Å; D783-S788 PolarHBondContact O-N 2.74Å; D783-S788 PolarHBondContact O-OG 2.81Å
784T88.6Confident92.2Very high59 Ų5952.1 Ų52.136%0.36226%0.261SS..  trans-103.6-176.6-167.187.70000113.1Y708 D747 N786 Y787 S788Y708-T784 HydrophobicContact CD1-CG2 4.46Å; Y708-T784 HydrophobicContact CE1-CG2 3.81Å; D747-T784 WeakPolarHBondContact OD2-CA 3.29Å; D747-T784 WeakPolarHBondContact OD2-CB 3.19Å; D747-T784 WeakPolarHBondContact OD2-CG2 3.39Å; D747-T784 PolarHBondContact OD2-N 3.22Å; D747-T784 PolarHBondContact OD2-OG1 2.63Å; T784-N786 PolarHBondContact O-N 3.45Å; T784-Y787 PolarHBondContact O-N 2.84Å; T784-S788 PolarHBondContact O-N 3.12Å
785G88.3Confident92.2Very high59 Ų5955.2 Ų55.261%0.60828%0.276SS*.THydrogen-bonded Turntrans51.4-113.7175.400000114.2
786N90Very high92Very high83 Ų8356.3 Ų56.344%0.44428%0.282SS..THydrogen-bonded Turntrans-79.4-26.3-180-74.62.9000113.4T784 S788 A789 D838 Y839T784-N786 PolarHBondContact O-N 3.45Å; N786-S788 PolarHBondContact O-N 3.05Å; N786-A789 WeakPolarHBondContact O-CA 3.14Å; N786-A789 WeakPolarHBondContact O-CB 3.44Å; N786-A789 PolarHBondContact O-N 2.91Å; N786-D838 VanDerWaalsContact O-CA 3.25Å; N786-D838 WeakPolarHBondContact O-CA 3.25Å; N786-D838 PolarHBondContact O-N 3.07Å; N786-Y839 HydrophobicContact CB-CE2 4.28Å
787Y91.4Very high91.8Very high62 Ų6252.8 Ų52.824%0.24328%0.278CS..THydrogen-bonded Turntrans-76.9-16.9179.2-54.8-28.7000111.4D747 N749 T784 D837 D838D747-Y787 WeakPolarHBondContact O-CE2 3.27Å; D747-Y787 WeakPolarHBondContact OD1-CD2 3.42Å; N749-Y787 HydrophobicContact CB-CD1 3.95Å; N749-Y787 HydrophobicContact CB-CD2 4.03Å; N749-Y787 HydrophobicContact CB-CE1 4.17Å; N749-Y787 HydrophobicContact CB-CE2 4.27Å; N749-Y787 HydrophobicContact CB-CG 3.88Å; N749-Y787 WeakPolarHBondContact ND2-CD1 3.49Å; T784-Y787 PolarHBondContact O-N 2.84Å; Y787-D837 WeakPolarHBondContact O-CB 3.27Å; Y787-D838 HydrophobicContact CD1-CB 4.17Å; Y787-D838 HydrophobicContact CE1-CB 4.41Å
788S90.3Very high91.3Very high47 Ų4759.3 Ų59.333%0.32932%0.321SS..THydrogen-bonded Turntrans-85.5-1.3159.2-105.70000115.6D783 T784 N786 M790D783-S788 WeakPolarHBondContact O-CB 3.44Å; D783-S788 PolarHBondContact O-N 2.74Å; D783-S788 PolarHBondContact O-OG 2.81Å; T784-S788 PolarHBondContact O-N 3.12Å; N786-S788 PolarHBondContact O-N 3.05Å; S788-M790 WeakPolarHBondContact O-CE 3.38Å; S788-M790 PolarHBondContact O-N 2.89Å
789A91.4Very high90.7Very high15 Ų1555.9 Ų55.912%0.12431%0.307CS..  trans-88.987-170.500000113.4N786 Y839N786-A789 WeakPolarHBondContact O-CA 3.14Å; N786-A789 WeakPolarHBondContact O-CB 3.44Å; N786-A789 PolarHBondContact O-N 2.91Å; A789-Y839 HydrophobicContact CB-CD1 4.36Å; A789-Y839 HydrophobicContact CB-CD2 4.08Å; A789-Y839 HydrophobicContact CB-CE1 3.98Å; A789-Y839 HydrophobicContact CB-CE2 3.66Å; A789-Y839 HydrophobicContact CB-CG 4.4Å; A789-Y839 PolarHBondContact O-N 2.66Å
790M92.5Very high89.8Confident19 Ų1964.4 Ų64.49%0.09434%0.343CS..  trans-63.9128.8-175.3-56.9-63.9112.900114.9P753 A779 D781 S788 Y792 A835 D837P753-M790 HydrophobicContact CB-CE 4.24Å; P753-M790 HydrophobicContact CB-SD 3.7Å; P753-M790 HydrophobicContact CG-CE 3.99Å; P753-M790 HydrophobicContact CG-SD 3.91Å; A779-M790 HydrophobicContact CB-CG 4.27Å; A779-M790 HydrophobicContact CB-SD 3.84Å; D781-M790 HydrophobicContact CB-CE 4.07Å; D781-M790 WeakPolarHBondContact OD2-CE 3.34Å; S788-M790 WeakPolarHBondContact O-CE 3.38Å; S788-M790 PolarHBondContact O-N 2.89Å; M790-Y792 HydrophobicContact CB-CE1 4.43Å; M790-Y792 HydrophobicContact CB-CE2 3.84Å; M790-A835 HydrophobicContact SD-CB 4.05Å; M790-D837 HydrophobicContact CE-CB 3.92Å
791A95Very high88.9Confident8 Ų869 Ų697%0.06636%0.36CS..EExtended strand (participates in β ladder)trans-108.7124.4158.700000111.2T810 Y811 T836 Y839A791-T810 CarbonylContact C-O 3.6Å; A791-T810 WeakPolarHBondContact CA-O 3.27Å; A791-T810 HydrophobicContact CB-CG2 3.78Å; A791-Y811 HydrophobicContact CB-CE1 4.25Å; A791-T836 PolarHBondContact N-O 2.81Å; A791-T836 PolarHBondContact O-N 3.11Å; A791-Y839 WeakPolarHBondContact CB-O 3.22Å
792Y95.9Very high88Confident17 Ų1771.4 Ų71.47%0.06739%0.39CS..EExtended strand (participates in β ladder)trans-96.8138.7180-59.7-77.3000112.4F755 V777 A779 M790 V808 T810 G813 V833 I834 A835F755-Y792 HydrophobicContact CE1-CD1 4.07Å; F755-Y792 AromaticContact CE1-CE1 3.78Å; F755-Y792 HydrophobicContact CE1-CE1 3.78Å; F755-Y792 HydrophobicContact CZ-CD1 4.17Å; F755-Y792 HydrophobicContact CZ-CE1 4.16Å; V777-Y792 HydrophobicContact CG2-CD1 3.72Å; V777-Y792 HydrophobicContact CG2-CE1 3.9Å; V777-Y792 HydrophobicContact CG2-CG 4.21Å; A779-Y792 HydrophobicContact CB-CE1 4.14Å; A779-Y792 PolarHBondContact N-OH 2.87Å; M790-Y792 HydrophobicContact CB-CE1 4.43Å; M790-Y792 HydrophobicContact CB-CE2 3.84Å; Y792-V808 WeakPolarHBondContact O-CG1 3.23Å; Y792-T810 VanDerWaalsContact CD2-O 3.29Å; Y792-T810 WeakPolarHBondContact CD2-O 3.25Å; Y792-T810 PolarHBondContact N-O 3.4Å; Y792-G813 VanDerWaalsContact CD2-CA 3.45Å; Y792-V833 HydrophobicContact CD1-CG2 4.33Å; Y792-I834 WeakPolarHBondContact CA-O 3.23Å; Y792-A835 HydrophobicContact CD1-CB 3.88Å; Y792-A835 HydrophobicContact CE1-CB 3.69Å
793R94.7Very high87.4Confident127 Ų12767.7 Ų67.748%0.47938%0.379SS..EExtended strand (participates in β ladder)trans-142.1151.8171.764.3-173.8178.993.5-4.7111.6V833 I834R793-V833 WeakPolarHBondContact O-CA 3.21Å; R793-I834 HydrophobicContact CG-CB 3.98Å; R793-I834 HydrophobicContact CG-CG2 4.3Å; R793-I834 PolarHBondContact N-O 3.49Å; R793-I834 PolarHBondContact O-N 3.4Å
794L94.5Very high86.6Confident33 Ų3374.2 Ų74.217%0.17341%0.409CS..EExtended strand (participates in β ladder)trans-102.5147178.4-56.3-178.5000111.8I796 F806 V808 I815 F831 Q832 V833L794-I796 HydrophobicContact CB-CD1 4.08Å; L794-I796 HydrophobicContact CB-CG1 3.83Å; L794-I796 HydrophobicContact CD1-CD1 3.93Å; L794-I796 HydrophobicContact CD1-CG1 4.44Å; L794-F806 HydrophobicContact CD1-CB 4.05Å; L794-V808 HydrophobicContact CD1-CB 4.18Å; L794-V808 HydrophobicContact CD1-CG1 4.49Å; L794-V808 HydrophobicContact CD2-CB 4.13Å; L794-V808 HydrophobicContact CD2-CG1 4.15Å; L794-V808 HydrophobicContact CG-CB 3.95Å; L794-V808 HydrophobicContact CG-CG1 3.8Å; L794-I815 HydrophobicContact CD1-CG2 4.48Å; L794-I815 HydrophobicContact CD2-CD1 4.12Å; L794-F831 HydrophobicContact CD1-CD2 4.32Å; L794-F831 HydrophobicContact CD1-CE2 3.9Å; L794-F831 HydrophobicContact CD2-CD2 4.11Å; L794-F831 HydrophobicContact CD2-CE2 3.91Å; L794-F831 HydrophobicContact CG-CE2 4.44Å; L794-Q832 CarbonylContact C-O 3.55Å; L794-Q832 WeakPolarHBondContact CA-O 3.49Å; L794-V833 HydrophobicContact CD2-CB 3.76Å; L794-V833 HydrophobicContact CD2-CG2 3.77Å
795I91.8Very high86.5Confident82 Ų8271.4 Ų71.442%0.42139%0.392SS..EExtended strand (participates in β ladder)trans-116.1100.9164.3-61-176.7000107F831 Q832 I834I795-F831 WeakPolarHBondContact O-CB 3.45Å; I795-Q832 HydrophobicContact CB-CB 4.43Å; I795-Q832 PolarHBondContact N-O 2.97Å; I795-Q832 PolarHBondContact O-N 2.93Å; I795-I834 HydrophobicContact CD1-CD1 3.55Å; I795-I834 HydrophobicContact CG1-CD1 4.27Å
796I88Confident86.7Confident48 Ų4868.9 Ų68.925%0.24636%0.364CS..  trans-105.2128.3-174.8-53.2179.1000109.3L794 I799 E804 F806 F831L794-I796 HydrophobicContact CB-CD1 4.08Å; L794-I796 HydrophobicContact CB-CG1 3.83Å; L794-I796 HydrophobicContact CD1-CD1 3.93Å; L794-I796 HydrophobicContact CD1-CG1 4.44Å; I796-I799 HydrophobicContact CG2-CD1 4Å; I796-I799 HydrophobicContact CG2-CG1 4.36Å; I796-E804 WeakPolarHBondContact CD1-O 3.29Å; I796-F806 HydrophobicContact CD1-CB 4.01Å; I796-F806 WeakPolarHBondContact CD1-O 3.46Å; I796-F831 HydrophobicContact CB-CB 4.27Å; I796-F831 HydrophobicContact CG1-CB 4Å; I796-F831 HydrophobicContact CG1-CD2 4.31Å; I796-F831 HydrophobicContact CG1-CG 4.16Å; I796-F831 HydrophobicContact CG2-CB 4.34Å
797P86.8Confident86.9Confident76 Ų7667.1 Ų67.149%0.49436%0.356SS..PPolyproline II helixtrans-60.9147.5173-23.734.6000112.2I799 K830P797-I799 PolarHBondContact O-N 3.49Å; P797-I799 VanDerWaalsContact O-N 3.12Å; P797-K830 WeakPolarHBondContact CD-O 3.47Å; P797-K830 WeakPolarHBondContact CG-O 3.3Å
798P83.8Confident87.1Confident139 Ų13965.3 Ų65.390%0.90335%0.352SS*.PPolyproline II helixtrans-56116.3-175.4-2835.8000114.3
799I81.1Confident87.3Confident35 Ų3566.3 Ų66.318%0.17935%0.351CS..PPolyproline II helixtrans-86.1148.7177.4-58174.9000109.8I796 P797 G802 M819 F829I796-I799 HydrophobicContact CG2-CD1 4Å; I796-I799 HydrophobicContact CG2-CG1 4.36Å; P797-I799 PolarHBondContact O-N 3.49Å; P797-I799 VanDerWaalsContact O-N 3.12Å; I799-G802 PolarHBondContact O-N 2.91Å; I799-M819 HydrophobicContact CD1-CE 4.25Å; I799-M819 HydrophobicContact CG2-CE 4.16Å; I799-M819 HydrophobicContact CG2-SD 4.32Å; I799-F829 HydrophobicContact CD1-CD1 3.99Å; I799-F829 HydrophobicContact CD1-CE1 3.97Å; I799-F829 HydrophobicContact CG1-CD1 4.42Å; I799-F829 HydrophobicContact CG1-CE1 4.34Å; I799-F829 HydrophobicContact CG2-CE1 4.38Å
800K73.5Confident87.4Confident185 Ų18568.7 Ų68.780%0.80436%0.364SS*.G310 helixtrans-54.8147.6174.5-66.2-179.6-179.4175.50111G802K800-G802 PolarHBondContact O-N 3.25Å
801E72.5Confident87.4Confident161 Ų16175.1 Ų75.175%0.75239%0.389SS*.G310 helixtrans64.89.8-179-56.8167.9-169.600115K803E801-K803 VanDerWaalsContact C-N 3.31Å; E801-K803 HydrophobicContact CB-CG 4.48Å; E801-K803 PolarHBondContact O-N 3.37Å; E801-K803 WeakPolarHBondContact OE2-CE 3.5Å; E801-K803 IonicContact OE2-NZ 2.69Å; E801-K803 PolarHBondContact OE2-NZ 3.05Å
802G73Confident87.2Confident74 Ų7477.4 Ų77.476%0.76340%0.402SS*.G310 helixtrans73.121.1174.900000114.3I799 K800I799-G802 PolarHBondContact O-N 2.91Å; K800-G802 PolarHBondContact O-N 3.25Å
803K80.4Confident87.1Confident92 Ų9276.6 Ų76.640%0.440%0.399SS..  trans-76.5142.1177.6-63.9171.4-175.1165.40110.6E801 G805 M819E801-K803 VanDerWaalsContact C-N 3.31Å; E801-K803 HydrophobicContact CB-CG 4.48Å; E801-K803 PolarHBondContact O-N 3.37Å; E801-K803 WeakPolarHBondContact OE2-CE 3.5Å; E801-K803 IonicContact OE2-NZ 2.69Å; E801-K803 PolarHBondContact OE2-NZ 3.05Å; K803-G805 VanDerWaalsContact C-N 3.3Å; K803-G805 PolarHBondContact O-N 2.65Å; K803-M819 HydrophobicContact CB-SD 3.7Å; K803-M819 HydrophobicContact CD-CB 4.23Å; K803-M819 HydrophobicContact CD-SD 3.67Å; K803-M819 HydrophobicContact CG-SD 4.3Å
804E74.7Confident87.1Confident138 Ų13871.8 Ų71.865%0.64538%0.382SS*.  trans-70.2-27.6178.7-62178.1169.200112.5I796 F806 A818I796-E804 WeakPolarHBondContact CD1-O 3.29Å; E804-F806 PolarHBondContact O-N 2.82Å; E804-A818 HydrophobicContact CB-CB 4.14Å
805G86.3Confident87.1Confident0 Ų070.2 Ų70.20%037%0.374CS..  trans78.1-61.6177.800000113.6K803 A818K803-G805 VanDerWaalsContact C-N 3.3Å; K803-G805 PolarHBondContact O-N 2.65Å; G805-A818 PolarHBondContact O-N 3.31Å
806F93.2Very high87.2Confident5 Ų568.4 Ų68.42%0.02236%0.363CS..EExtended strand (participates in β ladder)trans-139.3150.3-179.2-58.5-84.5000111.4V764 V774 L794 I796 E804 I815 K816 F821 F829 F831 V851V764-F806 HydrophobicContact CG1-CE1 4.24Å; V774-F806 HydrophobicContact CG2-CD1 4.19Å; V774-F806 HydrophobicContact CG2-CE1 4.15Å; L794-F806 HydrophobicContact CD1-CB 4.05Å; I796-F806 HydrophobicContact CD1-CB 4.01Å; I796-F806 WeakPolarHBondContact CD1-O 3.46Å; E804-F806 PolarHBondContact O-N 2.82Å; F806-I815 HydrophobicContact CB-CG2 4.2Å; F806-I815 HydrophobicContact CD1-CG2 4.33Å; F806-K816 WeakPolarHBondContact CA-O 2.98Å; F806-F821 HydrophobicContact CE1-CE1 4.4Å; F806-F821 HydrophobicContact CE1-CE2 4.42Å; F806-F821 AromaticContact CE1-CZ 3.69Å; F806-F821 HydrophobicContact CE1-CZ 3.69Å; F806-F821 HydrophobicContact CE2-CE1 4.23Å; F806-F821 HydrophobicContact CE2-CZ 4.15Å; F806-F821 AromaticContact CZ-CE1 3.71Å; F806-F821 HydrophobicContact CZ-CE1 3.71Å; F806-F821 AromaticContact CZ-CZ 3.45Å; F806-F821 HydrophobicContact CZ-CZ 3.45Å; F806-F821 VanDerWaalsContact CZ-CZ 3.45Å; F806-F829 HydrophobicContact CE2-CB 3.7Å; F806-F829 HydrophobicContact CE2-CD1 4.25Å; F806-F829 AromaticContact CE2-CD2 3.89Å; F806-F829 HydrophobicContact CE2-CD2 3.89Å; F806-F829 AromaticContact CE2-CG 3.69Å; F806-F829 HydrophobicContact CE2-CG 3.69Å; F806-F829 HydrophobicContact CZ-CB 4.44Å; F806-F829 HydrophobicContact CZ-CD2 4.06Å; F806-F829 HydrophobicContact CZ-CG 4.32Å; F806-F831 HydrophobicContact CB-CZ 4.18Å; F806-F831 HydrophobicContact CD2-CD1 4.18Å; F806-F831 AromaticContact CD2-CE1 3.49Å; F806-F831 HydrophobicContact CD2-CE1 3.49Å; F806-F831 VanDerWaalsContact CD2-CE1 3.49Å; F806-F831 AromaticContact CD2-CZ 3.97Å; F806-F831 HydrophobicContact CD2-CZ 3.97Å; F806-F831 AromaticContact CE2-CE1 3.84Å; F806-F831 HydrophobicContact CE2-CE1 3.84Å; F806-F831 AromaticContact CG-CE1 3.98Å; F806-F831 HydrophobicContact CG-CE1 3.98Å; F806-F831 AromaticContact CG-CZ 3.97Å; F806-F831 HydrophobicContact CG-CZ 3.97Å; F806-V851 HydrophobicContact CE1-CB 4.18Å; F806-V851 HydrophobicContact CE1-CG1 3.78Å; F806-V851 HydrophobicContact CE1-CG2 4.13Å; F806-V851 HydrophobicContact CE2-CB 4.37Å; F806-V851 HydrophobicContact CZ-CB 3.78Å; F806-V851 HydrophobicContact CZ-CG1 3.62Å; F806-V851 HydrophobicContact CZ-CG2 4.12Å
807V93.5Very high87.4Confident46 Ų4666.1 Ų66.128%0.27935%0.351SS..EExtended strand (participates in β ladder)trans-126.6157.5170.2-70.10000109.5F771 I815 K816 A818F771-V807 HydrophobicContact CD1-CG2 4.35Å; F771-V807 HydrophobicContact CE1-CG2 4.27Å; V807-I815 CarbonylContact O-C 3.6Å; V807-I815 WeakPolarHBondContact O-CA 3.33Å; V807-K816 HydrophobicContact CG2-CB 4.14Å; V807-K816 PolarHBondContact N-O 3.17Å; V807-K816 PolarHBondContact O-N 3.19Å; V807-A818 HydrophobicContact CG1-CB 4.1Å
808V95.5Very high87.6Confident24 Ų2463.6 Ų63.615%0.14534%0.337CS..EExtended strand (participates in β ladder)trans-121.1137.8173.168.40000109.9Y792 L794 T810 L814 I815Y792-V808 WeakPolarHBondContact O-CG1 3.23Å; L794-V808 HydrophobicContact CD1-CB 4.18Å; L794-V808 HydrophobicContact CD1-CG1 4.49Å; L794-V808 HydrophobicContact CD2-CB 4.13Å; L794-V808 HydrophobicContact CD2-CG1 4.15Å; L794-V808 HydrophobicContact CG-CB 3.95Å; L794-V808 HydrophobicContact CG-CG1 3.8Å; V808-T810 PolarHBondContact O-N 3.05Å; V808-L814 WeakPolarHBondContact CA-O 3.36Å; V808-I815 HydrophobicContact CB-CG1 4.24Å; V808-I815 HydrophobicContact CG2-CG1 3.91Å
809E94.8Very high87.9Confident69 Ų6957.6 Ų57.632%0.32230%0.297SS..  trans-71114.6168.8-77.3-177.1177.500110.2Y811 T812 G813 L814 K816E809-Y811 VanDerWaalsContact C-N 3.25Å; E809-Y811 PolarHBondContact O-N 2.97Å; E809-T812 HydrophobicContact CB-CG2 4.37Å; E809-T812 WeakPolarHBondContact CB-OG1 3.29Å; E809-T812 PolarHBondContact O-N 2.98Å; E809-T812 WeakPolarHBondContact OE2-CG2 3.28Å; E809-T812 PolarHBondContact OE2-OG1 3.25Å; E809-G813 PolarHBondContact O-N 2.6Å; E809-G813 VanDerWaalsContact O-N 3.1Å; E809-L814 HydrophobicContact CB-CB 4.29Å; E809-L814 HydrophobicContact CG-CB 4.46Å; E809-L814 PolarHBondContact N-O 3.31Å; E809-K816 WeakPolarHBondContact OE1-CE 3.34Å; E809-K816 IonicContact OE1-NZ 3.13Å; E809-K816 PolarHBondContact OE1-NZ 2.93Å
810T93.5Very high88.2Confident64 Ų6459.7 Ų59.739%0.39331%0.308SS..THydrogen-bonded Turntrans-51.3-38.2-168.2-47.80000114.1A791 Y792 V808A791-T810 CarbonylContact C-O 3.6Å; A791-T810 WeakPolarHBondContact CA-O 3.27Å; A791-T810 HydrophobicContact CB-CG2 3.78Å; Y792-T810 VanDerWaalsContact CD2-O 3.29Å; Y792-T810 WeakPolarHBondContact CD2-O 3.25Å; Y792-T810 PolarHBondContact N-O 3.4Å; V808-T810 PolarHBondContact O-N 3.05Å
811Y92.3Very high89Confident155 Ų15550.9 Ų50.961%0.60827%0.27SS*.THydrogen-bonded Turntrans-109.90.1-174.6-49.8-59000114.6A791 E809 Y839A791-Y811 HydrophobicContact CB-CE1 4.25Å; E809-Y811 VanDerWaalsContact C-N 3.25Å; E809-Y811 PolarHBondContact O-N 2.97Å; Y811-Y839 HydrophobicContact CD1-CD1 4.18Å; Y811-Y839 AromaticContact CE1-CD1 3.8Å; Y811-Y839 HydrophobicContact CE1-CD1 3.8Å
812T91.5Very high89.7Confident56 Ų5648.5 Ų48.534%0.34426%0.259SS..THydrogen-bonded Turntrans-115.7-14.8-179.377.30000113.5R776 E809 L814R776-T812 WeakPolarHBondContact CG-O 3.31Å; E809-T812 HydrophobicContact CB-CG2 4.37Å; E809-T812 WeakPolarHBondContact CB-OG1 3.29Å; E809-T812 PolarHBondContact O-N 2.98Å; E809-T812 WeakPolarHBondContact OE2-CG2 3.28Å; E809-T812 PolarHBondContact OE2-OG1 3.25Å; T812-L814 PolarHBondContact O-N 3.48Å; T812-L814 VanDerWaalsContact OG1-CB 3.29Å; T812-L814 WeakPolarHBondContact OG1-CB 3.36Å; T812-L814 PolarHBondContact OG1-N 3.03Å
813G93.1Very high90.2Very high0 Ų052.4 Ų52.40%026%0.262CS..  trans69.98.5-174.700000114R776 V777 Y792 E809 I815R776-G813 WeakPolarHBondContact CA-O 3.47Å; V777-G813 WeakPolarHBondContact CG2-O 3.44Å; V777-G813 PolarHBondContact N-O 2.85Å; Y792-G813 VanDerWaalsContact CD2-CA 3.45Å; E809-G813 PolarHBondContact O-N 2.6Å; E809-G813 VanDerWaalsContact O-N 3.1Å; G813-I815 PolarHBondContact O-N 3.41Å
814L94.6Very high90.6Very high26 Ų2650.8 Ų50.814%0.13626%0.256CS..EExtended strand (participates in β ladder)trans-78.5111.9-177.2-174.458.8000110.9R776 V808 E809 T812 K816R776-L814 HydrophobicContact CB-CD1 4.47Å; V808-L814 WeakPolarHBondContact CA-O 3.36Å; E809-L814 HydrophobicContact CB-CB 4.29Å; E809-L814 HydrophobicContact CG-CB 4.46Å; E809-L814 PolarHBondContact N-O 3.31Å; T812-L814 PolarHBondContact O-N 3.48Å; T812-L814 VanDerWaalsContact OG1-CB 3.29Å; T812-L814 WeakPolarHBondContact OG1-CB 3.36Å; T812-L814 PolarHBondContact OG1-N 3.03Å; L814-K816 HydrophobicContact CG-CG 4.36Å
815I95.3Very high91.3Very high0 Ų048.3 Ų48.30%024%0.241CC..EExtended strand (participates in β ladder)trans-83133.6175-57.4-174.4000109.3V774 L775 V777 L794 F806 V807 V808 G813 F831 V849V774-I815 HydrophobicContact CB-CG2 4.39Å; V774-I815 PolarHBondContact N-O 3.45Å; L775-I815 HydrophobicContact CD1-CD1 3.8Å; L775-I815 HydrophobicContact CD1-CG1 4.27Å; L775-I815 HydrophobicContact CG-CB 4.47Å; L775-I815 HydrophobicContact CG-CD1 4.29Å; L775-I815 PolarHBondContact O-N 3.37Å; V777-I815 HydrophobicContact CG1-CD1 3.85Å; V777-I815 HydrophobicContact CG1-CG1 4.43Å; L794-I815 HydrophobicContact CD1-CG2 4.48Å; L794-I815 HydrophobicContact CD2-CD1 4.12Å; F806-I815 HydrophobicContact CB-CG2 4.2Å; F806-I815 HydrophobicContact CD1-CG2 4.33Å; V807-I815 CarbonylContact O-C 3.6Å; V807-I815 WeakPolarHBondContact O-CA 3.33Å; V808-I815 HydrophobicContact CB-CG1 4.24Å; V808-I815 HydrophobicContact CG2-CG1 3.91Å; G813-I815 PolarHBondContact O-N 3.41Å; I815-F831 HydrophobicContact CD1-CE2 4.12Å; I815-F831 HydrophobicContact CG2-CZ 4.36Å; I815-V849 HydrophobicContact CD1-CG1 4.14Å; I815-V849 HydrophobicContact CD1-CG2 4.31Å
816K93.8Very high91.3Very high44 Ų4453.4 Ų53.419%0.19126%0.26CS..EExtended strand (participates in β ladder)trans-130155.3-177.3-69.5179.3171.31760112.3A772 F806 V807 E809 L814A772-K816 CarbonylContact O-C 3.56Å; A772-K816 WeakPolarHBondContact O-CA 3.45Å; F806-K816 WeakPolarHBondContact CA-O 2.98Å; V807-K816 HydrophobicContact CG2-CB 4.14Å; V807-K816 PolarHBondContact N-O 3.17Å; V807-K816 PolarHBondContact O-N 3.19Å; E809-K816 WeakPolarHBondContact OE1-CE 3.34Å; E809-K816 IonicContact OE1-NZ 3.13Å; E809-K816 PolarHBondContact OE1-NZ 2.93Å; L814-K816 HydrophobicContact CG-CG 4.36Å
817T92.9Very high91.2Very high0 Ų055.3 Ų55.30%027%0.274CS..EExtended strand (participates in β ladder)trans-68.1134.4173.557.50000111.5V764 R769 F771 A772 V774 F821V764-T817 HydrophobicContact CG1-CG2 3.74Å; R769-T817 PolarHBondContact O-OG1 3.21Å; F771-T817 WeakPolarHBondContact CA-O 3.45Å; F771-T817 PolarHBondContact N-O 3.23Å; F771-T817 PolarHBondContact N-OG1 3.2Å; A772-T817 HydrophobicContact CB-CG2 4.29Å; A772-T817 PolarHBondContact N-OG1 2.92Å; A772-T817 PolarHBondContact O-N 2.73Å; V774-T817 HydrophobicContact CG2-CG2 3.8Å; T817-F821 HydrophobicContact CG2-CE2 3.69Å; T817-F821 HydrophobicContact CG2-CZ 4.49Å
818A90.3Very high91.1Very high23 Ų2358.3 Ų58.319%0.1928%0.281CS..SBendtrans-113.84.4173.500000113E804 G805 V807E804-A818 HydrophobicContact CB-CB 4.14Å; G805-A818 PolarHBondContact O-N 3.31Å; V807-A818 HydrophobicContact CG1-CB 4.1Å
819M89.2Confident91Very high12 Ų1258.4 Ų58.46%0.05928%0.28CS..SBendtrans-150.7173.9172.568-175.9-177.400111I799 K803 F821 F829I799-M819 HydrophobicContact CD1-CE 4.25Å; I799-M819 HydrophobicContact CG2-CE 4.16Å; I799-M819 HydrophobicContact CG2-SD 4.32Å; K803-M819 HydrophobicContact CB-SD 3.7Å; K803-M819 HydrophobicContact CD-CB 4.23Å; K803-M819 HydrophobicContact CD-SD 3.67Å; K803-M819 HydrophobicContact CG-SD 4.3Å; M819-F821 HydrophobicContact CE-CD1 3.89Å; M819-F821 HydrophobicContact CE-CE1 3.36Å; M819-F821 HydrophobicContact CE-CZ 4.03Å; M819-F821 HydrophobicContact CG-CE1 4.12Å; M819-F821 HydrophobicContact CG-CE2 4.31Å; M819-F821 HydrophobicContact CG-CZ 3.93Å; M819-F821 VanDerWaalsContact O-CE2 3.24Å; M819-F821 WeakPolarHBondContact O-CE2 3.32Å; M819-F829 HydrophobicContact CE-CE1 3.62Å; M819-F829 HydrophobicContact CE-CE2 4.3Å; M819-F829 HydrophobicContact CE-CZ 3.42Å; M819-F829 VanDerWaalsContact CE-CZ 3.42Å
820L89.3Confident90.8Very high80 Ų8059.5 Ų59.542%0.41928%0.283SS..  trans-93.3144.3170.8-58.6176.5000110.2A768 M770A768-L820 WeakPolarHBondContact O-CD2 3.32Å; M770-L820 HydrophobicContact CG-CD2 3.86Å; M770-L820 HydrophobicContact CG-CG 4.15Å
821F88.4Confident90.8Very high0 Ų056.7 Ų56.70%027%0.266CS..  trans-109.328.4-172.9-59.5-90.9000113.3V764 E766 F806 T817 M819 N823 M824 F829 V853V764-F821 HydrophobicContact CB-CD2 4.29Å; V764-F821 HydrophobicContact CB-CE2 4.43Å; V764-F821 HydrophobicContact CG1-CE2 4.49Å; V764-F821 HydrophobicContact CG2-CB 4.46Å; V764-F821 HydrophobicContact CG2-CD1 4.08Å; V764-F821 HydrophobicContact CG2-CD2 3.75Å; V764-F821 HydrophobicContact CG2-CE1 4.24Å; V764-F821 HydrophobicContact CG2-CE2 3.96Å; V764-F821 HydrophobicContact CG2-CG 3.83Å; V764-F821 HydrophobicContact CG2-CZ 4.2Å; E766-F821 WeakPolarHBondContact CG-O 3.37Å; E766-F821 CarbonylContact O-C 3.56Å; F806-F821 HydrophobicContact CE1-CE1 4.4Å; F806-F821 HydrophobicContact CE1-CE2 4.42Å; F806-F821 AromaticContact CE1-CZ 3.69Å; F806-F821 HydrophobicContact CE1-CZ 3.69Å; F806-F821 HydrophobicContact CE2-CE1 4.23Å; F806-F821 HydrophobicContact CE2-CZ 4.15Å; F806-F821 AromaticContact CZ-CE1 3.71Å; F806-F821 HydrophobicContact CZ-CE1 3.71Å; F806-F821 AromaticContact CZ-CZ 3.45Å; F806-F821 HydrophobicContact CZ-CZ 3.45Å; F806-F821 VanDerWaalsContact CZ-CZ 3.45Å; T817-F821 HydrophobicContact CG2-CE2 3.69Å; T817-F821 HydrophobicContact CG2-CZ 4.49Å; M819-F821 HydrophobicContact CE-CD1 3.89Å; M819-F821 HydrophobicContact CE-CE1 3.36Å; M819-F821 HydrophobicContact CE-CZ 4.03Å; M819-F821 HydrophobicContact CG-CE1 4.12Å; M819-F821 HydrophobicContact CG-CE2 4.31Å; M819-F821 HydrophobicContact CG-CZ 3.93Å; M819-F821 VanDerWaalsContact O-CE2 3.24Å; M819-F821 WeakPolarHBondContact O-CE2 3.32Å; F821-N823 PolarHBondContact O-N 3.03Å; F821-M824 HydrophobicContact CD1-SD 4.35Å; F821-M824 WeakPolarHBondContact O-CB 3.48Å; F821-M824 PolarHBondContact O-N 3.43Å; F821-F829 AromaticContact CD1-CE2 3.65Å; F821-F829 HydrophobicContact CD1-CE2 3.65Å; F821-F829 HydrophobicContact CD1-CZ 4Å; F821-F829 HydrophobicContact CE1-CD2 4.11Å; F821-F829 AromaticContact CE1-CE2 3.46Å; F821-F829 HydrophobicContact CE1-CE2 3.46Å; F821-F829 VanDerWaalsContact CE1-CE2 3.46Å; F821-F829 AromaticContact CE1-CZ 3.79Å; F821-F829 HydrophobicContact CE1-CZ 3.79Å; F821-V853 HydrophobicContact CB-CG1 3.9Å; F821-V853 HydrophobicContact CB-CG2 4.27Å; F821-V853 HydrophobicContact CD1-CG2 3.85Å; F821-V853 HydrophobicContact CG-CG2 4.33Å
822H87.4Confident91Very high111 Ų11152.6 Ų52.651%0.51425%0.252SS..THydrogen-bonded Turntrans-58.4132.6-177.1-63.75000112.4E766 M824E766-H822 PolarHBondContact O-CE1 2.74Å; E766-H822 PolarHBondContact O-N 2.85Å; E766-H822 PolarHBondContact O-ND1 2.67Å; H822-M824 PolarHBondContact O-N 3.4Å
823N84.9Confident91.1Very high155 Ų15549.9 Ų49.983%0.82924%0.236SC*.THydrogen-bonded Turntrans58.728.5-178.2-51.3-51.6000114.2E766 F821E766-N823 WeakPolarHBondContact OE1-CA 3.21Å; E766-N823 PolarHBondContact OE1-N 3.06Å; E766-N823 VanDerWaalsContact OE1-N 3.09Å; F821-N823 PolarHBondContact O-N 3.03Å
824M89.1Confident91.3Very high58 Ų5850.8 Ų50.829%0.28624%0.24SC..  trans-107.76.9177.7-57.6-165.269.700114.2E766 F821 H822 R826 S827 F829 V853E766-M824 PolarHBondContact OE1-N 3.18Å; F821-M824 HydrophobicContact CD1-SD 4.35Å; F821-M824 WeakPolarHBondContact O-CB 3.48Å; F821-M824 PolarHBondContact O-N 3.43Å; H822-M824 PolarHBondContact O-N 3.4Å; M824-R826 PolarHBondContact O-N 2.74Å; M824-S827 WeakPolarHBondContact O-CA 3.33Å; M824-S827 WeakPolarHBondContact O-CB 3.21Å; M824-S827 PolarHBondContact O-N 2.88Å; M824-S827 PolarHBondContact O-OG 3.1Å; M824-F829 HydrophobicContact CE-CE2 4.42Å; M824-F829 HydrophobicContact CE-CZ 3.7Å; M824-F829 HydrophobicContact SD-CZ 4.38Å; M824-V853 HydrophobicContact CB-CB 4.41Å; M824-V853 HydrophobicContact CB-CG1 4.07Å; M824-V853 HydrophobicContact CB-CG2 4.25Å
825R87.4Confident91.3Very high87 Ų8749.6 Ų49.633%0.32823%0.234SC..THydrogen-bonded Turntrans-40.3132.5178-167.9-158.7168.7-155.8-3.4113.4E766 S827 D858E766-R825 WeakPolarHBondContact OE1-CB 3.28Å; E766-R825 PolarHBondContact OE1-N 2.6Å; R825-S827 PolarHBondContact O-N 2.93Å; R825-D858 VanDerWaalsContact CG-OD2 3.28Å; R825-D858 WeakPolarHBondContact CG-OD2 3.14Å; R825-D858 IonicContact CZ-OD1 3.95Å; R825-D858 VanDerWaalsContact CZ-OD1 3.27Å; R825-D858 IonicContact CZ-OD2 3.83Å; R825-D858 VanDerWaalsContact NE-CG 3.32Å; R825-D858 IonicContact NE-OD1 3.97Å; R825-D858 PolarHBondContact NE-OD1 3.41Å; R825-D858 IonicContact NE-OD2 3.5Å; R825-D858 PolarHBondContact NE-OD2 2.92Å; R825-D858 IonicContact NH2-OD1 2.74Å; R825-D858 PolarHBondContact NH2-OD1 3.46Å; R825-D858 IonicContact NH2-OD2 2.73Å
826R86.4Confident91.3Very high107 Ų10750 Ų5040%0.40424%0.236SC..THydrogen-bonded Turntrans64.97.9-174.7-35.4-16791.4-171.35.8115.7M824 V853 R930 A931M824-R826 PolarHBondContact O-N 2.74Å; R826-V853 PolarHBondContact N-O 3.45Å; R826-R930 HydrophobicContact CB-CG 4.38Å; R826-R930 PolarHBondContact O-NE 3.06Å; R826-A931 PolarHBondContact NH2-O 2.85Å
827S91.7Very high91.3Very high44 Ų4447.9 Ų47.931%0.30823%0.227SC..  trans-74.7156.8158.2-52.80000109.9M824 R825 V853M824-S827 WeakPolarHBondContact O-CA 3.33Å; M824-S827 WeakPolarHBondContact O-CB 3.21Å; M824-S827 PolarHBondContact O-N 2.88Å; M824-S827 PolarHBondContact O-OG 3.1Å; R825-S827 PolarHBondContact O-N 2.93Å; S827-V853 PolarHBondContact O-N 3.45Å
828Y92Very high91.3Very high109 Ų10949.5 Ų49.543%0.42724%0.236SC..EExtended strand (participates in β ladder)trans-143.2156.7175.563-88.4000110.9L850 V851 N929Y828-L850 HydrophobicContact CD2-CD1 3.95Å; Y828-L850 HydrophobicContact CG-CD1 4.29Å; Y828-V851 CarbonylContact C-O 3.54Å; Y828-V851 VanDerWaalsContact CA-O 3.31Å; Y828-V851 WeakPolarHBondContact CA-O 3.34Å; Y828-N929 VanDerWaalsContact CB-O 3.32Å; Y828-N929 WeakPolarHBondContact CB-O 3.47Å; Y828-N929 HydrophobicContact CD1-CB 3.89Å; Y828-N929 HydrophobicContact CD2-CB 3.78Å; Y828-N929 HydrophobicContact CE1-CB 4.08Å; Y828-N929 HydrophobicContact CE2-CB 3.96Å; Y828-N929 HydrophobicContact CG-CB 3.75Å
829F92.2Very high91.3Very high27 Ų2754 Ų5412%0.11825%0.249CC..EExtended strand (participates in β ladder)trans-123.5119.1177.9-59.1-93.2000107.8I799 F806 M819 F821 M824 F831 V851 V853I799-F829 HydrophobicContact CD1-CD1 3.99Å; I799-F829 HydrophobicContact CD1-CE1 3.97Å; I799-F829 HydrophobicContact CG1-CD1 4.42Å; I799-F829 HydrophobicContact CG1-CE1 4.34Å; I799-F829 HydrophobicContact CG2-CE1 4.38Å; F806-F829 HydrophobicContact CE2-CB 3.7Å; F806-F829 HydrophobicContact CE2-CD1 4.25Å; F806-F829 AromaticContact CE2-CD2 3.89Å; F806-F829 HydrophobicContact CE2-CD2 3.89Å; F806-F829 AromaticContact CE2-CG 3.69Å; F806-F829 HydrophobicContact CE2-CG 3.69Å; F806-F829 HydrophobicContact CZ-CB 4.44Å; F806-F829 HydrophobicContact CZ-CD2 4.06Å; F806-F829 HydrophobicContact CZ-CG 4.32Å; M819-F829 HydrophobicContact CE-CE1 3.62Å; M819-F829 HydrophobicContact CE-CE2 4.3Å; M819-F829 HydrophobicContact CE-CZ 3.42Å; M819-F829 VanDerWaalsContact CE-CZ 3.42Å; F821-F829 AromaticContact CD1-CE2 3.65Å; F821-F829 HydrophobicContact CD1-CE2 3.65Å; F821-F829 HydrophobicContact CD1-CZ 4Å; F821-F829 HydrophobicContact CE1-CD2 4.11Å; F821-F829 AromaticContact CE1-CE2 3.46Å; F821-F829 HydrophobicContact CE1-CE2 3.46Å; F821-F829 VanDerWaalsContact CE1-CE2 3.46Å; F821-F829 AromaticContact CE1-CZ 3.79Å; F821-F829 HydrophobicContact CE1-CZ 3.79Å; M824-F829 HydrophobicContact CE-CE2 4.42Å; M824-F829 HydrophobicContact CE-CZ 3.7Å; M824-F829 HydrophobicContact SD-CZ 4.38Å; F829-F831 HydrophobicContact CB-CD1 4.23Å; F829-F831 HydrophobicContact CB-CE1 4.35Å; F829-V851 PolarHBondContact N-O 2.69Å; F829-V851 PolarHBondContact O-N 3.01Å; F829-V853 HydrophobicContact CD2-CG2 4.35Å; F829-V853 HydrophobicContact CE2-CG2 3.76Å
830K92.2Very high91.3Very high91 Ų9155.4 Ų55.440%0.39627%0.266SS..EExtended strand (participates in β ladder)trans-107.9125.9170.3-175.1169.7178.1173.50109P797 D848 V849P797-K830 WeakPolarHBondContact CD-O 3.47Å; P797-K830 WeakPolarHBondContact CG-O 3.3Å; K830-D848 VanDerWaalsContact CE-CG 3.49Å; K830-D848 WeakPolarHBondContact CE-OD2 3.38Å; K830-D848 IonicContact NZ-OD2 2.92Å; K830-D848 PolarHBondContact NZ-OD2 3.09Å; K830-V849 WeakPolarHBondContact CA-O 3.37Å
831F93.6Very high91.3Very high5 Ų558.4 Ų58.42%0.02228%0.276CS..EExtended strand (participates in β ladder)trans-146.1171.4-17954-92.1000109.8L794 I795 I796 F806 I815 F829 V849 V851L794-F831 HydrophobicContact CD1-CD2 4.32Å; L794-F831 HydrophobicContact CD1-CE2 3.9Å; L794-F831 HydrophobicContact CD2-CD2 4.11Å; L794-F831 HydrophobicContact CD2-CE2 3.91Å; L794-F831 HydrophobicContact CG-CE2 4.44Å; I795-F831 WeakPolarHBondContact O-CB 3.45Å; I796-F831 HydrophobicContact CB-CB 4.27Å; I796-F831 HydrophobicContact CG1-CB 4Å; I796-F831 HydrophobicContact CG1-CD2 4.31Å; I796-F831 HydrophobicContact CG1-CG 4.16Å; I796-F831 HydrophobicContact CG2-CB 4.34Å; F806-F831 HydrophobicContact CB-CZ 4.18Å; F806-F831 HydrophobicContact CD2-CD1 4.18Å; F806-F831 AromaticContact CD2-CE1 3.49Å; F806-F831 HydrophobicContact CD2-CE1 3.49Å; F806-F831 VanDerWaalsContact CD2-CE1 3.49Å; F806-F831 AromaticContact CD2-CZ 3.97Å; F806-F831 HydrophobicContact CD2-CZ 3.97Å; F806-F831 AromaticContact CE2-CE1 3.84Å; F806-F831 HydrophobicContact CE2-CE1 3.84Å; F806-F831 AromaticContact CG-CE1 3.98Å; F806-F831 HydrophobicContact CG-CE1 3.98Å; F806-F831 AromaticContact CG-CZ 3.97Å; F806-F831 HydrophobicContact CG-CZ 3.97Å; I815-F831 HydrophobicContact CD1-CE2 4.12Å; I815-F831 HydrophobicContact CG2-CZ 4.36Å; F829-F831 HydrophobicContact CB-CD1 4.23Å; F829-F831 HydrophobicContact CB-CE1 4.35Å; F831-V849 HydrophobicContact CD2-CB 3.87Å; F831-V849 HydrophobicContact CD2-CG1 4.37Å; F831-V849 HydrophobicContact CD2-CG2 4.32Å; F831-V849 HydrophobicContact CE1-CG1 4.33Å; F831-V849 HydrophobicContact CE2-CB 3.64Å; F831-V849 HydrophobicContact CE2-CG1 3.66Å; F831-V849 HydrophobicContact CE2-CG2 4.09Å; F831-V849 HydrophobicContact CG-CB 4.46Å; F831-V849 HydrophobicContact CZ-CB 4.05Å; F831-V849 HydrophobicContact CZ-CG1 3.64Å; F831-V849 PolarHBondContact N-O 3.03Å; F831-V849 PolarHBondContact O-N 3.13Å; F831-V849 VanDerWaalsContact O-O 3.13Å; F831-V851 HydrophobicContact CE1-CB 4.36Å; F831-V851 HydrophobicContact CE1-CG2 3.68Å; F831-V851 HydrophobicContact CZ-CG2 3.78Å
832Q94.6Very high91.5Very high69 Ų6960.1 Ų60.132%0.32229%0.293SS..EExtended strand (participates in β ladder)trans-109.8146178.1-82172.9-6.600111.1L794 I795 A847 D848L794-Q832 CarbonylContact C-O 3.55Å; L794-Q832 WeakPolarHBondContact CA-O 3.49Å; I795-Q832 HydrophobicContact CB-CB 4.43Å; I795-Q832 PolarHBondContact N-O 2.97Å; I795-Q832 PolarHBondContact O-N 2.93Å; Q832-A847 WeakPolarHBondContact CA-O 3.45Å; Q832-D848 WeakPolarHBondContact CG-OD1 3.34Å; Q832-D848 PolarHBondContact NE2-OD1 2.75Å
833V95.4Very high91.7Very high0 Ų057.9 Ų57.90%029%0.285CS..EExtended strand (participates in β ladder)trans-108.7139.9165.464.90000108.9F755 V777 Y792 R793 L794 K846 A847 V849F755-V833 HydrophobicContact CD1-CG1 4.44Å; F755-V833 HydrophobicContact CE1-CG1 3.69Å; F755-V833 HydrophobicContact CE1-CG2 4.28Å; F755-V833 HydrophobicContact CE2-CG1 4.36Å; F755-V833 HydrophobicContact CZ-CB 4.35Å; F755-V833 HydrophobicContact CZ-CG1 3.64Å; F755-V833 HydrophobicContact CZ-CG2 4.03Å; V777-V833 HydrophobicContact CG1-CG1 4.15Å; V777-V833 HydrophobicContact CG2-CG2 3.97Å; Y792-V833 HydrophobicContact CD1-CG2 4.33Å; R793-V833 WeakPolarHBondContact O-CA 3.21Å; L794-V833 HydrophobicContact CD2-CB 3.76Å; L794-V833 HydrophobicContact CD2-CG2 3.77Å; V833-K846 WeakPolarHBondContact O-CA 3.26Å; V833-A847 HydrophobicContact CG1-CB 3.89Å; V833-A847 PolarHBondContact N-O 2.76Å; V833-A847 PolarHBondContact O-N 3.44Å; V833-V849 HydrophobicContact CB-CG2 3.99Å; V833-V849 HydrophobicContact CG1-CG2 3.71Å
834I95.6Very high92.1Very high19 Ų1953.5 Ų53.510%0.09727%0.266CS..EExtended strand (participates in β ladder)trans-117136.2172.7-71174.7000107.6Y792 R793 I795 T836 G845 K846Y792-I834 WeakPolarHBondContact CA-O 3.23Å; R793-I834 HydrophobicContact CG-CB 3.98Å; R793-I834 HydrophobicContact CG-CG2 4.3Å; R793-I834 PolarHBondContact N-O 3.49Å; R793-I834 PolarHBondContact O-N 3.4Å; I795-I834 HydrophobicContact CD1-CD1 3.55Å; I795-I834 HydrophobicContact CG1-CD1 4.27Å; I834-T836 WeakPolarHBondContact CG2-OG1 3.36Å; I834-G845 VanDerWaalsContact CA-O 3.31Å; I834-G845 WeakPolarHBondContact CA-O 3.24Å; I834-G845 WeakPolarHBondContact CG2-O 3.42Å; I834-K846 HydrophobicContact CG1-CB 4.1Å
835A95.6Very high92.4Very high0 Ų051.2 Ų51.20%026%0.258CS..EExtended strand (participates in β ladder)trans-108.7129.2167.100000107P753 F755 A779 M790 Y792 S844 G845P753-A835 HydrophobicContact CB-CB 3.98Å; F755-A835 HydrophobicContact CE1-CB 4.19Å; F755-A835 HydrophobicContact CE2-CB 3.68Å; F755-A835 HydrophobicContact CZ-CB 3.45Å; F755-A835 VanDerWaalsContact CZ-CB 3.45Å; A779-A835 HydrophobicContact CB-CB 3.67Å; M790-A835 HydrophobicContact SD-CB 4.05Å; Y792-A835 HydrophobicContact CD1-CB 3.88Å; Y792-A835 HydrophobicContact CE1-CB 3.69Å; A835-S844 CarbonylContact O-C 3.54Å; A835-S844 VanDerWaalsContact O-CA 3.29Å; A835-S844 WeakPolarHBondContact O-CA 3.36Å; A835-G845 PolarHBondContact N-O 3.19Å; A835-G845 VanDerWaalsContact N-O 3.11Å; A835-G845 PolarHBondContact O-N 3.08Å
836T95.3Very high92.7Very high9 Ų954.2 Ų54.26%0.05527%0.273CS..EExtended strand (participates in β ladder)trans-130.6122.6178.6-56.80000107.1A791 I834 G840 L843 S844A791-T836 PolarHBondContact N-O 2.81Å; A791-T836 PolarHBondContact O-N 3.11Å; I834-T836 WeakPolarHBondContact CG2-OG1 3.36Å; T836-G840 PolarHBondContact O-N 2.96Å; T836-L843 WeakPolarHBondContact CA-O 3.29Å; T836-L843 VanDerWaalsContact CG2-O 3.26Å; T836-L843 WeakPolarHBondContact CG2-O 3.14Å; T836-S844 WeakPolarHBondContact CG2-OG 3.36Å; T836-S844 PolarHBondContact OG1-OG 2.65Å
837D93.2Very high93.1Very high0 Ų049.3 Ų49.30%026%0.255CS..SBendtrans-70.4-178.9177.55075.7000113.7N749 P753 Y787 M790 Y839 G840 K841 G842 L843N749-D837 PolarHBondContact ND2-OD1 2.83Å; N749-D837 PolarHBondContact OD1-OD1 3.05Å; P753-D837 WeakPolarHBondContact CD-OD2 3.47Å; P753-D837 HydrophobicContact CG-CB 4.2Å; P753-D837 WeakPolarHBondContact CG-OD2 3.49Å; Y787-D837 WeakPolarHBondContact O-CB 3.27Å; M790-D837 HydrophobicContact CE-CB 3.92Å; D837-Y839 PolarHBondContact O-N 3.06Å; D837-G840 CarbonylContact O-C 3.59Å; D837-G840 WeakPolarHBondContact O-CA 3.42Å; D837-G840 PolarHBondContact O-N 3.47Å; D837-K841 PolarHBondContact O-N 2.93Å; D837-G842 PolarHBondContact O-N 3.12Å; D837-G842 WeakPolarHBondContact OD1-CA 3.38Å; D837-G842 PolarHBondContact OD1-N 2.89Å; D837-L843 PolarHBondContact OD1-N 2.93Å; D837-L843 VanDerWaalsContact OD2-CA 3.26Å; D837-L843 WeakPolarHBondContact OD2-CA 3.28Å; D837-L843 WeakPolarHBondContact OD2-CB 3.42Å; D837-L843 PolarHBondContact OD2-N 3.28Å
838D92.6Very high93.2Very high33 Ų3349.1 Ų49.118%0.17625%0.251CS..THydrogen-bonded Turntrans4544.5-167.8-173.833.1000112.9N786 Y787 G840 K841N786-D838 VanDerWaalsContact O-CA 3.25Å; N786-D838 WeakPolarHBondContact O-CA 3.25Å; N786-D838 PolarHBondContact O-N 3.07Å; Y787-D838 HydrophobicContact CD1-CB 4.17Å; Y787-D838 HydrophobicContact CE1-CB 4.41Å; D838-G840 PolarHBondContact O-N 3.2Å; D838-G840 VanDerWaalsContact O-N 3.16Å; D838-K841 HydrophobicContact CB-CB 4.22Å; D838-K841 PolarHBondContact O-NZ 3.16Å; D838-K841 IonicContact OD1-NZ 2.72Å; D838-K841 PolarHBondContact OD1-NZ 3.49Å; D838-K841 VanDerWaalsContact OD1-NZ 3.14Å; D838-K841 IonicContact OD2-NZ 3.3Å; D838-K841 PolarHBondContact OD2-NZ 2.94Å
839Y91.3Very high93.4Very high119 Ų11944 Ų4447%0.46723%0.231SC..THydrogen-bonded Turntrans56.726.7-176.2-53.2-93.5000113.7N786 A789 A791 Y811 D837N786-Y839 HydrophobicContact CB-CE2 4.28Å; A789-Y839 HydrophobicContact CB-CD1 4.36Å; A789-Y839 HydrophobicContact CB-CD2 4.08Å; A789-Y839 HydrophobicContact CB-CE1 3.98Å; A789-Y839 HydrophobicContact CB-CE2 3.66Å; A789-Y839 HydrophobicContact CB-CG 4.4Å; A789-Y839 PolarHBondContact O-N 2.66Å; A791-Y839 WeakPolarHBondContact CB-O 3.22Å; Y811-Y839 HydrophobicContact CD1-CD1 4.18Å; Y811-Y839 AromaticContact CE1-CD1 3.8Å; Y811-Y839 HydrophobicContact CE1-CD1 3.8Å; D837-Y839 PolarHBondContact O-N 3.06Å
840G88.7Confident93.5Very high40 Ų4042.7 Ų42.741%0.41223%0.225SC..THydrogen-bonded Turntrans110.727.2175.200000115.5T836 D837 D838T836-G840 PolarHBondContact O-N 2.96Å; D837-G840 CarbonylContact O-C 3.59Å; D837-G840 WeakPolarHBondContact O-CA 3.42Å; D837-G840 PolarHBondContact O-N 3.47Å; D838-G840 PolarHBondContact O-N 3.2Å; D838-G840 VanDerWaalsContact O-N 3.16Å
841K90Very high93.5Very high144 Ų14438.3 Ų38.363%0.62621%0.206SC*.THydrogen-bonded Turntrans-122.1-30.5-174.2-58.8-168.2-13374.60116.5D837 D838D837-K841 PolarHBondContact O-N 2.93Å; D838-K841 HydrophobicContact CB-CB 4.22Å; D838-K841 PolarHBondContact O-NZ 3.16Å; D838-K841 IonicContact OD1-NZ 2.72Å; D838-K841 PolarHBondContact OD1-NZ 3.49Å; D838-K841 VanDerWaalsContact OD1-NZ 3.14Å; D838-K841 IonicContact OD2-NZ 3.3Å; D838-K841 PolarHBondContact OD2-NZ 2.94Å
842G91.7Very high93.5Very high36 Ų3638.1 Ų38.137%0.37121%0.205SC..SBendtrans-94.1-128.7-174.500000113.6D837D837-G842 PolarHBondContact O-N 3.12Å; D837-G842 WeakPolarHBondContact OD1-CA 3.38Å; D837-G842 PolarHBondContact OD1-N 2.89Å
843L92.3Very high93.4Very high64 Ų6434.8 Ų34.834%0.33519%0.19SC..  trans-70.2177.4-176.8-68.5172.2000112.1N749 D750 H751 P752 T836 D837N749-L843 WeakPolarHBondContact OD1-CD1 3.39Å; N749-L843 WeakPolarHBondContact OD1-CG 3.32Å; N749-L843 PolarHBondContact OD1-N 2.89Å; D750-L843 WeakPolarHBondContact O-CD1 3.45Å; H751-L843 WeakPolarHBondContact O-CD1 3.46Å; P752-L843 HydrophobicContact CB-CB 4.08Å; P752-L843 HydrophobicContact CB-CD1 4.33Å; T836-L843 WeakPolarHBondContact CA-O 3.29Å; T836-L843 VanDerWaalsContact CG2-O 3.26Å; T836-L843 WeakPolarHBondContact CG2-O 3.14Å; D837-L843 PolarHBondContact OD1-N 2.93Å; D837-L843 VanDerWaalsContact OD2-CA 3.26Å; D837-L843 WeakPolarHBondContact OD2-CA 3.28Å; D837-L843 WeakPolarHBondContact OD2-CB 3.42Å; D837-L843 PolarHBondContact OD2-N 3.28Å
844S94.5Very high93.3Very high63 Ų6334.8 Ų34.844%0.44119%0.19SC..EExtended strand (participates in β ladder)trans-155.2117.4-171.5-74.60000115.6A835 T836A835-S844 CarbonylContact O-C 3.54Å; A835-S844 VanDerWaalsContact O-CA 3.29Å; A835-S844 WeakPolarHBondContact O-CA 3.36Å; T836-S844 WeakPolarHBondContact CG2-OG 3.36Å; T836-S844 PolarHBondContact OG1-OG 2.65Å
845G93.8Very high93Very high10 Ų1035.3 Ų35.310%0.10319%0.192CC..EExtended strand (participates in β ladder)trans-85.2160.1166.600000113.4P753 I834 A835P753-G845 WeakPolarHBondContact O-CA 3.34Å; I834-G845 VanDerWaalsContact CA-O 3.31Å; I834-G845 WeakPolarHBondContact CA-O 3.24Å; I834-G845 WeakPolarHBondContact CG2-O 3.42Å; A835-G845 PolarHBondContact N-O 3.19Å; A835-G845 VanDerWaalsContact N-O 3.11Å; A835-G845 PolarHBondContact O-N 3.08Å
846K94.2Very high92.6Very high150 Ų15039.5 Ų39.565%0.65221%0.212SC*.EExtended strand (participates in β ladder)trans-138.4147.5169.468.7-179.2-179.4-176.70112.8V833 I834V833-K846 WeakPolarHBondContact O-CA 3.26Å; I834-K846 HydrophobicContact CG1-CB 4.1Å
847A94.7Very high92.3Very high4 Ų442.1 Ų42.13%0.03323%0.225CC..EExtended strand (participates in β ladder)trans-136.3150.5168.200000110.9F755 Y760 Q832 V833F755-A847 HydrophobicContact CB-CB 3.96Å; F755-A847 HydrophobicContact CD1-CB 4.07Å; F755-A847 HydrophobicContact CD2-CB 3.75Å; F755-A847 HydrophobicContact CE2-CB 4.22Å; F755-A847 HydrophobicContact CG-CB 3.66Å; Y760-A847 HydrophobicContact CD2-CB 4.08Å; Y760-A847 HydrophobicContact CE2-CB 4.04Å; Q832-A847 WeakPolarHBondContact CA-O 3.45Å; V833-A847 HydrophobicContact CG1-CB 3.89Å; V833-A847 PolarHBondContact N-O 2.76Å; V833-A847 PolarHBondContact O-N 3.44Å
848D94.4Very high92.2Very high40 Ų4042.1 Ų42.121%0.21423%0.226CC..EExtended strand (participates in β ladder)trans-82.2142.3172-89.51.7000109.7K758 F759 Y760 K830 Q832K758-D848 PolarHBondContact O-N 3.24Å; F759-D848 WeakPolarHBondContact CA-O 3.24Å; F759-D848 HydrophobicContact CD2-CB 3.57Å; F759-D848 HydrophobicContact CE2-CB 4.02Å; Y760-D848 PolarHBondContact N-O 2.86Å; K830-D848 VanDerWaalsContact CE-CG 3.49Å; K830-D848 WeakPolarHBondContact CE-OD2 3.38Å; K830-D848 IonicContact NZ-OD2 2.92Å; K830-D848 PolarHBondContact NZ-OD2 3.09Å; Q832-D848 WeakPolarHBondContact CG-OD1 3.34Å; Q832-D848 PolarHBondContact NE2-OD1 2.75Å
849V94.9Very high92.2Very high0 Ų040.7 Ų40.70%022%0.218CC..EExtended strand (participates in β ladder)trans-126.2132.6177.2-1710000109.8Y760 L775 I815 K830 F831 V833 V851Y760-V849 CarbonylContact O-C 3.6Å; Y760-V849 WeakPolarHBondContact O-CA 3.2Å; L775-V849 HydrophobicContact CD2-CG1 3.97Å; I815-V849 HydrophobicContact CD1-CG1 4.14Å; I815-V849 HydrophobicContact CD1-CG2 4.31Å; K830-V849 WeakPolarHBondContact CA-O 3.37Å; F831-V849 HydrophobicContact CD2-CB 3.87Å; F831-V849 HydrophobicContact CD2-CG1 4.37Å; F831-V849 HydrophobicContact CD2-CG2 4.32Å; F831-V849 HydrophobicContact CE1-CG1 4.33Å; F831-V849 HydrophobicContact CE2-CB 3.64Å; F831-V849 HydrophobicContact CE2-CG1 3.66Å; F831-V849 HydrophobicContact CE2-CG2 4.09Å; F831-V849 HydrophobicContact CG-CB 4.46Å; F831-V849 HydrophobicContact CZ-CB 4.05Å; F831-V849 HydrophobicContact CZ-CG1 3.64Å; F831-V849 PolarHBondContact N-O 3.03Å; F831-V849 PolarHBondContact O-N 3.13Å; F831-V849 VanDerWaalsContact O-O 3.13Å; V833-V849 HydrophobicContact CB-CG2 3.99Å; V833-V849 HydrophobicContact CG1-CG2 3.71Å; V849-V851 HydrophobicContact CG1-CG2 4.33Å
850L94Very high92.3Very high0 Ų035.1 Ų35.10%020%0.196CC..EExtended strand (participates in β ladder)trans-116.7126.4173.1172.163.9000109.7F759 Y760 I761 G762 Y828 I924 N929F759-L850 HydrophobicContact CE1-CB 4.27Å; F759-L850 HydrophobicContact CE1-CD2 4.2Å; F759-L850 HydrophobicContact CE2-CB 4.3Å; F759-L850 HydrophobicContact CZ-CB 3.71Å; F759-L850 HydrophobicContact CZ-CD2 3.98Å; F759-L850 HydrophobicContact CZ-CG 4.46Å; Y760-L850 PolarHBondContact O-N 3.43Å; I761-L850 WeakPolarHBondContact CA-O 3.34Å; I761-L850 HydrophobicContact CG1-CD2 4.47Å; I761-L850 HydrophobicContact CG2-CD2 4.28Å; G762-L850 PolarHBondContact N-O 3.16Å; Y828-L850 HydrophobicContact CD2-CD1 3.95Å; Y828-L850 HydrophobicContact CG-CD1 4.29Å; L850-I924 HydrophobicContact CD2-CG2 4.22Å; L850-N929 HydrophobicContact CD1-CB 3.99Å; L850-N929 HydrophobicContact CD2-CB 4.17Å
851V93.7Very high92.5Very high0 Ų033.5 Ų33.50%018%0.178CC..EExtended strand (participates in β ladder)trans-121.5118.7169.8-174.10000109.8G762 V764 V774 F806 Y828 F829 F831 V849G762-V851 WeakPolarHBondContact O-CA 3.4Å; V764-V851 HydrophobicContact CG1-CG1 3.94Å; V764-V851 HydrophobicContact CG2-CG1 4.08Å; V774-V851 HydrophobicContact CG1-CG1 3.84Å; V774-V851 HydrophobicContact CG1-CG2 3.89Å; F806-V851 HydrophobicContact CE1-CB 4.18Å; F806-V851 HydrophobicContact CE1-CG1 3.78Å; F806-V851 HydrophobicContact CE1-CG2 4.13Å; F806-V851 HydrophobicContact CE2-CB 4.37Å; F806-V851 HydrophobicContact CZ-CB 3.78Å; F806-V851 HydrophobicContact CZ-CG1 3.62Å; F806-V851 HydrophobicContact CZ-CG2 4.12Å; Y828-V851 CarbonylContact C-O 3.54Å; Y828-V851 VanDerWaalsContact CA-O 3.31Å; Y828-V851 WeakPolarHBondContact CA-O 3.34Å; F829-V851 PolarHBondContact N-O 2.69Å; F829-V851 PolarHBondContact O-N 3.01Å; F831-V851 HydrophobicContact CE1-CB 4.36Å; F831-V851 HydrophobicContact CE1-CG2 3.68Å; F831-V851 HydrophobicContact CZ-CG2 3.78Å; V849-V851 HydrophobicContact CG1-CG2 4.33Å
852S93.6Very high92.8Very high0 Ų026.7 Ų26.70%015%0.149CC..EExtended strand (participates in β ladder)trans-101.5142177.3-1460000111.7G762 G763 V764 N929 R930G762-S852 PolarHBondContact O-N 3.01Å; G762-S852 VanDerWaalsContact O-N 3.13Å; G763-S852 CarbonylContact C-O 3.6Å; G763-S852 WeakPolarHBondContact CA-O 3.21Å; V764-S852 PolarHBondContact N-O 3.5Å; S852-N929 PolarHBondContact OG-O 3.19Å; S852-R930 WeakPolarHBondContact OG-CA 3.18Å
853V93.1Very high92.9Very high0 Ų025 Ų250%013%0.131CC..EExtended strand (participates in β ladder)trans-92.3126.9178.7-173.40000110.5V764 E766 F821 M824 R826 S827 F829V764-V853 HydrophobicContact CG2-CG2 4.03Å; V764-V853 WeakPolarHBondContact O-CA 3.27Å; E766-V853 HydrophobicContact CG-CG1 3.8Å; F821-V853 HydrophobicContact CB-CG1 3.9Å; F821-V853 HydrophobicContact CB-CG2 4.27Å; F821-V853 HydrophobicContact CD1-CG2 3.85Å; F821-V853 HydrophobicContact CG-CG2 4.33Å; M824-V853 HydrophobicContact CB-CB 4.41Å; M824-V853 HydrophobicContact CB-CG1 4.07Å; M824-V853 HydrophobicContact CB-CG2 4.25Å; R826-V853 PolarHBondContact N-O 3.45Å; S827-V853 PolarHBondContact O-N 3.45Å; F829-V853 HydrophobicContact CD2-CG2 4.35Å; F829-V853 HydrophobicContact CE2-CG2 3.76Å
854V92.4Very high93.1Very high0 Ų022 Ų220%012%0.115CC..EExtended strand (participates in β ladder)trans-124.8165.9-176.1-62.90000111.7V764 S765 E766 D858 M859 Y922 A931V764-V854 PolarHBondContact O-N 3.13Å; S765-V854 CarbonylContact C-O 3.59Å; S765-V854 VanDerWaalsContact CA-O 3.28Å; S765-V854 WeakPolarHBondContact CA-O 3.28Å; E766-V854 PolarHBondContact N-O 2.85Å; V854-D858 HydrophobicContact CB-CB 4.29Å; V854-D858 HydrophobicContact CG1-CB 4.45Å; V854-M859 HydrophobicContact CB-CE 4.42Å; V854-M859 HydrophobicContact CG2-CE 3.64Å; V854-Y922 HydrophobicContact CB-CD2 4.4Å; V854-Y922 HydrophobicContact CB-CE2 4.48Å; V854-Y922 HydrophobicContact CG1-CD2 3.73Å; V854-Y922 HydrophobicContact CG1-CE2 3.86Å; V854-Y922 HydrophobicContact CG1-CG 4.28Å; V854-Y922 HydrophobicContact CG2-CD1 4.02Å; V854-Y922 HydrophobicContact CG2-CD2 4.12Å; V854-Y922 HydrophobicContact CG2-CE1 3.75Å; V854-Y922 HydrophobicContact CG2-CE2 3.85Å; V854-Y922 HydrophobicContact CG2-CG 4.19Å; V854-A931 HydrophobicContact CG1-CB 3.68Å
855N89.9Confident93.1Very high29 Ų2921.3 Ų21.316%0.15511%0.107CC..  trans-143.3-174.5159.672.825.4000110.7E766 L857 D858E766-N855 HydrophobicContact CG-CB 4.14Å; E766-N855 WeakPolarHBondContact OE2-CB 3.35Å; E766-N855 PolarHBondContact OE2-ND2 2.81Å; N855-L857 PolarHBondContact O-N 3.02Å; N855-L857 WeakPolarHBondContact OD1-CB 3.4Å; N855-L857 WeakPolarHBondContact OD1-CG 3.44Å; N855-L857 PolarHBondContact OD1-N 3.05Å; N855-D858 PolarHBondContact N-OD2 2.88Å; N855-D858 VanDerWaalsContact N-OD2 3.11Å; N855-D858 WeakPolarHBondContact O-CB 3.34Å; N855-D858 PolarHBondContact O-N 2.74Å
856Q87.4Confident93.1Very high88 Ų8821.3 Ų21.341%0.41111%0.105SC..THydrogen-bonded Turntrans-60.2-11.1-176.8-63.7-179-0.900114.9D858 M859 P968 V971Q856-D858 VanDerWaalsContact C-N 3.33Å; Q856-M859 HydrophobicContact CG-SD 4.08Å; Q856-P968 HydrophobicContact CB-CB 4.25Å; Q856-V971 VanDerWaalsContact O-CG2 3.28Å; Q856-V971 WeakPolarHBondContact O-CG2 3.29Å
857L88.3Confident93Very high64 Ų6416.6 Ų16.634%0.3359%0.09SC..THydrogen-bonded Turntrans-72.8-25.7169.7-61.5172.2000112.7N855 R934 V971N855-L857 PolarHBondContact O-N 3.02Å; N855-L857 WeakPolarHBondContact OD1-CB 3.4Å; N855-L857 WeakPolarHBondContact OD1-CG 3.44Å; N855-L857 PolarHBondContact OD1-N 3.05Å; L857-R934 VanDerWaalsContact O-CB 3.32Å; L857-R934 WeakPolarHBondContact O-CB 3.25Å; L857-R934 WeakPolarHBondContact O-CD 3.4Å; L857-R934 PolarHBondContact O-NH1 2.81Å; L857-V971 HydrophobicContact CD2-CG1 4.32Å; L857-V971 HydrophobicContact CD2-CG2 4.2Å
858D90.3Very high93Very high1 Ų117.4 Ų17.41%0.0059%0.094CC..THydrogen-bonded Turntrans-95.6-8.5-178.1-53-61.6000113.3R825 V854 N855 Q856 A931R825-D858 VanDerWaalsContact CG-OD2 3.28Å; R825-D858 WeakPolarHBondContact CG-OD2 3.14Å; R825-D858 IonicContact CZ-OD1 3.95Å; R825-D858 VanDerWaalsContact CZ-OD1 3.27Å; R825-D858 IonicContact CZ-OD2 3.83Å; R825-D858 VanDerWaalsContact NE-CG 3.32Å; R825-D858 IonicContact NE-OD1 3.97Å; R825-D858 PolarHBondContact NE-OD1 3.41Å; R825-D858 IonicContact NE-OD2 3.5Å; R825-D858 PolarHBondContact NE-OD2 2.92Å; R825-D858 IonicContact NH2-OD1 2.74Å; R825-D858 PolarHBondContact NH2-OD1 3.46Å; R825-D858 IonicContact NH2-OD2 2.73Å; V854-D858 HydrophobicContact CB-CB 4.29Å; V854-D858 HydrophobicContact CG1-CB 4.45Å; N855-D858 PolarHBondContact N-OD2 2.88Å; N855-D858 VanDerWaalsContact N-OD2 3.11Å; N855-D858 WeakPolarHBondContact O-CB 3.34Å; N855-D858 PolarHBondContact O-N 2.74Å; Q856-D858 VanDerWaalsContact C-N 3.33Å; D858-A931 HydrophobicContact CB-CB 3.96Å
859M93Very high92.9Very high3 Ų320.3 Ų20.32%0.01511%0.113CC..  trans-100.6151.8-170.5-63.2167.7-179.600113.5V854 Q856 E898 T920 V921 Y922 R934 P968V854-M859 HydrophobicContact CB-CE 4.42Å; V854-M859 HydrophobicContact CG2-CE 3.64Å; Q856-M859 HydrophobicContact CG-SD 4.08Å; M859-E898 HydrophobicContact CE-CB 4.07Å; M859-E898 HydrophobicContact CE-CG 3.62Å; M859-E898 WeakPolarHBondContact CE-OE2 3Å; M859-E898 HydrophobicContact SD-CB 4.31Å; M859-E898 HydrophobicContact SD-CG 4.08Å; M859-T920 HydrophobicContact CB-CG2 3.96Å; M859-T920 HydrophobicContact CG-CG2 4.3Å; M859-T920 HydrophobicContact SD-CG2 3.95Å; M859-V921 CarbonylContact C-O 3.47Å; M859-V921 WeakPolarHBondContact CA-O 3.21Å; M859-Y922 HydrophobicContact CE-CD1 4.12Å; M859-Y922 HydrophobicContact CE-CE1 4.28Å; M859-Y922 HydrophobicContact CG-CD1 4.03Å; M859-Y922 HydrophobicContact CG-CG 4.47Å; M859-R934 WeakPolarHBondContact O-CD 3.08Å; M859-R934 WeakPolarHBondContact O-CG 3.48Å; M859-P968 HydrophobicContact CB-CG 4.04Å; M859-P968 WeakPolarHBondContact O-CD 3.5Å; M859-P968 VanDerWaalsContact O-CG 3.26Å; M859-P968 WeakPolarHBondContact O-CG 3.43Å
860Q93.3Very high92.8Very high1 Ų122.9 Ų22.91%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-117.9153.5167.5-77.1-67.20.500110.9T920 V921 R934 L937 I965 R966Q860-T920 CarbonylContact O-C 3.6Å; Q860-T920 WeakPolarHBondContact O-CA 3.38Å; Q860-V921 HydrophobicContact CB-CG2 4.39Å; Q860-V921 PolarHBondContact N-O 3.25Å; Q860-V921 PolarHBondContact O-N 3.38Å; Q860-R934 HydrophobicContact CG-CG 3.9Å; Q860-R934 PolarHBondContact NE2-O 2.91Å; Q860-L937 HydrophobicContact CB-CD2 4.45Å; Q860-L937 HydrophobicContact CG-CD2 4.35Å; Q860-L937 HydrophobicContact CG-CG 4.39Å; Q860-I965 HydrophobicContact CB-CG2 4.13Å; Q860-I965 HydrophobicContact CG-CG2 4.38Å; Q860-R966 VanDerWaalsContact OE1-C 3.24Å; Q860-R966 PolarHBondContact OE1-O 3.2Å
861V94Very high92.8Very high7 Ų722.9 Ų22.94%0.04213%0.127CC..EExtended strand (participates in β ladder)trans-109.6114.4172.7-175.80000109.2V863 D918 I965 R966 P968V861-V863 HydrophobicContact CG1-CG2 4.34Å; V861-D918 HydrophobicContact CG1-CB 3.59Å; V861-I965 WeakPolarHBondContact O-CA 3.23Å; V861-R966 HydrophobicContact CB-CG 3.88Å; V861-R966 WeakPolarHBondContact CB-O 2.9Å; V861-R966 HydrophobicContact CG1-CG 4.29Å; V861-R966 PolarHBondContact N-O 2.7Å; V861-R966 PolarHBondContact O-N 3.1Å; V861-P968 HydrophobicContact CG2-CB 4.45Å; V861-P968 HydrophobicContact CG2-CG 4.17Å
862I95.2Very high92.7Very high1 Ų129.1 Ų29.11%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-84.5121.8171-59.6175.2000107.5L882 L919 V921 L941 I962 I965I862-L882 HydrophobicContact CD1-CD1 3.89Å; I862-L882 HydrophobicContact CD1-CD2 4.06Å; I862-L919 HydrophobicContact CB-CB 4.27Å; I862-L919 HydrophobicContact CD1-CD2 4.49Å; I862-L919 PolarHBondContact N-O 2.92Å; I862-L919 PolarHBondContact O-N 3.43Å; I862-V921 HydrophobicContact CD1-CG1 4.16Å; I862-V921 HydrophobicContact CD1-CG2 3.83Å; I862-V921 HydrophobicContact CG1-CG2 4.05Å; I862-L941 HydrophobicContact CD1-CD1 4.14Å; I862-I962 HydrophobicContact CG2-CB 4.33Å; I862-I962 HydrophobicContact CG2-CD1 3.74Å; I862-I962 HydrophobicContact CG2-CG1 3.74Å; I862-I962 HydrophobicContact CG2-CG2 3.65Å; I862-I965 HydrophobicContact CG1-CG1 4.46Å
863V94.9Very high92.6Very high0 Ų037.5 Ų37.50%019%0.193CC..EExtended strand (participates in β ladder)trans-104.6117.7-175.9-174.60000109.5V861 R903 C917 D918 I962 L963 E964 R966V861-V863 HydrophobicContact CG1-CG2 4.34Å; V863-R903 HydrophobicContact CG1-CG 3.93Å; V863-R903 VanDerWaalsContact CG1-NE 3.26Å; V863-C917 WeakPolarHBondContact CA-O 3.39Å; V863-D918 WeakPolarHBondContact CG2-OD1 3.44Å; V863-I962 CarbonylContact O-C 3.56Å; V863-I962 WeakPolarHBondContact O-CG2 3.33Å; V863-L963 PolarHBondContact O-N 3.14Å; V863-E964 HydrophobicContact CB-CG 3.59Å; V863-E964 WeakPolarHBondContact CB-O 3.35Å; V863-E964 HydrophobicContact CG1-CG 4.09Å; V863-E964 HydrophobicContact CG2-CG 3.62Å; V863-E964 PolarHBondContact N-O 3.07Å; V863-R966 HydrophobicContact CG2-CG 3.8Å
864S94.7Very high92.5Very high0 Ų040.9 Ų40.90%021%0.207CC..EExtended strand (participates in β ladder)trans-121.1146.8-174.7-64.50000112.9V866 K916 C917 Y956 R961S864-V866 PolarHBondContact O-N 2.82Å; S864-V866 VanDerWaalsContact O-N 3.15Å; S864-K916 WeakPolarHBondContact O-CA 3.12Å; S864-K916 VanDerWaalsContact O-CB 3.31Å; S864-K916 WeakPolarHBondContact O-CB 3.43Å; S864-C917 PolarHBondContact N-O 3.22Å; S864-C917 PolarHBondContact O-N 2.92Å; S864-Y956 WeakPolarHBondContact CB-OH 3.2Å; S864-Y956 WeakPolarHBondContact OG-CE2 3.43Å; S864-Y956 PolarHBondContact OG-OH 3.19Å; S864-R961 WeakPolarHBondContact CA-O 3.18Å
865N94.7Very high92.5Very high50 Ų5042.8 Ų42.827%0.26722%0.217SC..SBendtrans-81.921.4-17975.2-20.3000114.9G959 G960 R961 L963N865-G959 PolarHBondContact ND2-O 3.5Å; N865-G960 VanDerWaalsContact OD1-CA 3.28Å; N865-G960 WeakPolarHBondContact OD1-CA 3.49Å; N865-R961 PolarHBondContact N-O 2.85Å; N865-R961 PolarHBondContact OD1-N 3.46Å; N865-R961 PolarHBondContact OD1-O 2.9Å; N865-L963 HydrophobicContact CB-CD1 3.97Å; N865-L963 HydrophobicContact CB-CD2 4.04Å; N865-L963 HydrophobicContact CB-CG 4Å
866V93.7Very high92.5Very high9 Ų949.2 Ų49.26%0.05525%0.246CC..SBendtrans-118.1150.7-179.6-65.60000110.5S864 L870 V871 S915 K916 C917 Y956S864-V866 PolarHBondContact O-N 2.82Å; S864-V866 VanDerWaalsContact O-N 3.15Å; V866-L870 HydrophobicContact CB-CD2 4.11Å; V866-L870 HydrophobicContact CG1-CD2 4.23Å; V866-V871 HydrophobicContact CG2-CG2 3.75Å; V866-S915 CarbonylContact C-O 3.54Å; V866-K916 CarbonylContact O-C 3.5Å; V866-K916 VanDerWaalsContact O-CA 3.25Å; V866-K916 WeakPolarHBondContact O-CA 3.4Å; V866-C917 VanDerWaalsContact O-CB 3.29Å; V866-C917 WeakPolarHBondContact O-CB 3.3Å; V866-C917 PolarHBondContact O-N 3.44Å; V866-Y956 HydrophobicContact CG1-CD2 4.13Å; V866-Y956 HydrophobicContact CG1-CG 4.04Å; V866-Y956 HydrophobicContact CG2-CD1 3.95Å; V866-Y956 HydrophobicContact CG2-CD2 3.98Å; V866-Y956 HydrophobicContact CG2-CE1 3.83Å; V866-Y956 HydrophobicContact CG2-CE2 3.86Å; V866-Y956 HydrophobicContact CG2-CG 4.01Å
867P93.8Very high92.7Very high52 Ų5247.5 Ų47.534%0.33824%0.24SC..  trans-68.5150.9-177.427.9-35.9000112.3T869 L870 Y914P867-T869 PolarHBondContact O-N 2.91Å; P867-T869 VanDerWaalsContact O-N 3.15Å; P867-L870 HydrophobicContact CG-CB 4.42Å; P867-L870 PolarHBondContact O-N 3.38Å; P867-Y914 WeakPolarHBondContact CB-O 3.4Å
868P94Very high93Very high20 Ų2044.5 Ų44.513%0.1322%0.224CC..Hα-helixtrans-57.7-34-175.4-25.835.4000114.2L870 V871 E872 I900 G901 A902 Y914 C917P868-L870 PolarHBondContact O-N 3.3Å; P868-V871 PolarHBondContact O-N 3.45Å; P868-V871 VanDerWaalsContact O-N 3.09Å; P868-E872 WeakPolarHBondContact O-CB 3.4Å; P868-E872 PolarHBondContact O-N 3.03Å; P868-I900 HydrophobicContact CB-CG2 4.23Å; P868-G901 VanDerWaalsContact CG-C 3.49Å; P868-G901 WeakPolarHBondContact CG-O 3.09Å; P868-A902 HydrophobicContact CG-CB 4.43Å; P868-Y914 WeakPolarHBondContact CD-O 3.31Å; P868-C917 HydrophobicContact CG-CB 4.37Å
869T92.4Very high93.1Very high101 Ų10145.3 Ų45.362%0.6223%0.229SC*.Hα-helixtrans-64.1-23.4179.553.30000114P867 K873P867-T869 PolarHBondContact O-N 2.91Å; P867-T869 VanDerWaalsContact O-N 3.15Å; T869-K873 WeakPolarHBondContact O-CB 3.39Å; T869-K873 PolarHBondContact O-N 3.21Å
870L92.8Very high93Very high54 Ų5450.9 Ų50.928%0.28326%0.255SS..Hα-helixtrans-77.7-41.7172.4-176.562.1000110.9V866 P867 P868 K874V866-L870 HydrophobicContact CB-CD2 4.11Å; V866-L870 HydrophobicContact CG1-CD2 4.23Å; P867-L870 HydrophobicContact CG-CB 4.42Å; P867-L870 PolarHBondContact O-N 3.38Å; P868-L870 PolarHBondContact O-N 3.3Å; L870-K874 WeakPolarHBondContact O-CB 3.43Å; L870-K874 PolarHBondContact O-N 2.74Å
871V93.4Very high93Very high0 Ų051.2 Ų51.20%026%0.257CS..Hα-helixtrans-66.7-45.8179.7-177.90000110.7V866 P868 K873 K874 I875 L878 I900 C917 L919 Y956V866-V871 HydrophobicContact CG2-CG2 3.75Å; P868-V871 PolarHBondContact O-N 3.45Å; P868-V871 VanDerWaalsContact O-N 3.09Å; V871-K873 PolarHBondContact O-N 3.41Å; V871-K874 CarbonylContact O-C 3.59Å; V871-K874 PolarHBondContact O-N 3.09Å; V871-K874 VanDerWaalsContact O-N 3.11Å; V871-I875 HydrophobicContact CG1-CD1 4.12Å; V871-I875 WeakPolarHBondContact O-CA 3.34Å; V871-I875 PolarHBondContact O-N 3.07Å; V871-L878 HydrophobicContact CG1-CD1 4.09Å; V871-I900 HydrophobicContact CB-CG2 4.09Å; V871-I900 HydrophobicContact CG1-CG2 4Å; V871-C917 HydrophobicContact CG2-CB 3.87Å; V871-L919 HydrophobicContact CG1-CD1 4.24Å; V871-L919 HydrophobicContact CG1-CD2 4.15Å; V871-Y956 HydrophobicContact CG2-CE1 4.06Å
872E91.4Very high93.1Very high131 Ų13151 Ų5161%0.61226%0.255SS*.Hα-helixtrans-57.7-48.2175-176.7-179.9-15700111.9P868 K874 I875 I900P868-E872 WeakPolarHBondContact O-CB 3.4Å; P868-E872 PolarHBondContact O-N 3.03Å; E872-K874 PolarHBondContact O-N 2.85Å; E872-K874 VanDerWaalsContact O-N 3.14Å; E872-I875 PolarHBondContact O-N 2.8Å; E872-I900 HydrophobicContact CB-CD1 4.05Å; E872-I900 HydrophobicContact CG-CD1 4.47Å
873K91.1Very high93Very high176 Ų17651.5 Ų51.577%0.76526%0.258SS*.Hα-helixtrans-62.8-19.7177.5-175.7173.1179.4-177.90113.6T869 V871T869-K873 WeakPolarHBondContact O-CB 3.39Å; T869-K873 PolarHBondContact O-N 3.21Å; V871-K873 PolarHBondContact O-N 3.41Å
874K92.3Very high92.9Very high72 Ų7256.8 Ų56.831%0.31328%0.278SS..THydrogen-bonded Turntrans-12017.2-176.5-73.7-52.2-145.51620114.2L870 V871 E872 E876 D877 L878 Y955L870-K874 WeakPolarHBondContact O-CB 3.43Å; L870-K874 PolarHBondContact O-N 2.74Å; V871-K874 CarbonylContact O-C 3.59Å; V871-K874 PolarHBondContact O-N 3.09Å; V871-K874 VanDerWaalsContact O-N 3.11Å; E872-K874 PolarHBondContact O-N 2.85Å; E872-K874 VanDerWaalsContact O-N 3.14Å; K874-E876 PolarHBondContact O-N 3.17Å; K874-D877 VanDerWaalsContact CD-OD2 3.25Å; K874-D877 WeakPolarHBondContact CD-OD2 3.44Å; K874-D877 WeakPolarHBondContact CE-OD2 3.26Å; K874-D877 IonicContact NZ-OD2 3.52Å; K874-D877 PolarHBondContact NZ-OD2 2.85Å; K874-D877 PolarHBondContact O-N 2.81Å; K874-L878 HydrophobicContact CB-CD1 3.96Å; K874-L878 HydrophobicContact CB-CG 4.28Å; K874-L878 WeakPolarHBondContact O-CB 3.41Å; K874-L878 VanDerWaalsContact O-CG 3.25Å; K874-L878 WeakPolarHBondContact O-CG 3.46Å; K874-L878 PolarHBondContact O-N 3.47Å; K874-Y955 HydrophobicContact CB-CD1 4.46Å; K874-Y955 HydrophobicContact CD-CD1 4.03Å; K874-Y955 HydrophobicContact CG-CD1 4.26Å
875I92.7Very high92.9Very high39 Ų3957.6 Ų57.620%0.228%0.281CS..Hα-helixtrans-66.8-33.5-167.5-161.961.6000114V871 E872 T879 V897 I900 L919V871-I875 HydrophobicContact CG1-CD1 4.12Å; V871-I875 WeakPolarHBondContact O-CA 3.34Å; V871-I875 PolarHBondContact O-N 3.07Å; E872-I875 PolarHBondContact O-N 2.8Å; I875-T879 VanDerWaalsContact O-CB 3.26Å; I875-T879 WeakPolarHBondContact O-CB 3.41Å; I875-T879 PolarHBondContact O-N 2.92Å; I875-T879 PolarHBondContact O-OG1 3.2Å; I875-V897 HydrophobicContact CD1-CB 4.49Å; I875-V897 HydrophobicContact CD1-CG1 4.15Å; I875-V897 HydrophobicContact CD1-CG2 3.81Å; I875-V897 HydrophobicContact CG1-CB 4.44Å; I875-V897 HydrophobicContact CG1-CG1 4.33Å; I875-V897 HydrophobicContact CG1-CG2 3.99Å; I875-I900 HydrophobicContact CB-CD1 4.22Å; I875-I900 HydrophobicContact CD1-CD1 3.73Å; I875-I900 HydrophobicContact CD1-CG1 4.4Å; I875-I900 HydrophobicContact CG1-CD1 3.86Å; I875-L919 HydrophobicContact CD1-CD1 3.81Å
876E88.2Confident92.9Very high164 Ų16455.2 Ų55.277%0.76627%0.269SS*.Hα-helixtrans-64.8-51.9178.1-62.3-173.7166.800110.8K874 L878 T879 E880K874-E876 PolarHBondContact O-N 3.17Å; E876-L878 PolarHBondContact O-N 2.8Å; E876-T879 PolarHBondContact O-N 2.87Å; E876-E880 PolarHBondContact O-N 2.84Å
877D91.9Very high92.9Very high53 Ų5358.6 Ų58.628%0.28328%0.284SS..Hα-helixtrans-56.4-48.3175.7-61.5-55000112K874 T879 E880 I881 Y955K874-D877 VanDerWaalsContact CD-OD2 3.25Å; K874-D877 WeakPolarHBondContact CD-OD2 3.44Å; K874-D877 WeakPolarHBondContact CE-OD2 3.26Å; K874-D877 IonicContact NZ-OD2 3.52Å; K874-D877 PolarHBondContact NZ-OD2 2.85Å; K874-D877 PolarHBondContact O-N 2.81Å; D877-T879 VanDerWaalsContact C-N 3.32Å; D877-T879 PolarHBondContact O-N 2.92Å; D877-E880 PolarHBondContact O-N 3.05Å; D877-I881 WeakPolarHBondContact O-CG1 3.25Å; D877-I881 PolarHBondContact O-N 2.81Å; D877-I881 VanDerWaalsContact O-N 3.16Å; D877-Y955 HydrophobicContact CB-CD1 3.74Å; D877-Y955 HydrophobicContact CB-CE1 3.3Å; D877-Y955 WeakPolarHBondContact OD2-CE1 3.3Å
878L94.2Very high92.8Very high0 Ų060.7 Ų60.70%029%0.289CS..Hα-helixtrans-66.1-34.7-178.5-67.3168.6000111.9V871 K874 E876 I881 L882 F952 Y955 Y956V871-L878 HydrophobicContact CG1-CD1 4.09Å; K874-L878 HydrophobicContact CB-CD1 3.96Å; K874-L878 HydrophobicContact CB-CG 4.28Å; K874-L878 WeakPolarHBondContact O-CB 3.41Å; K874-L878 VanDerWaalsContact O-CG 3.25Å; K874-L878 WeakPolarHBondContact O-CG 3.46Å; K874-L878 PolarHBondContact O-N 3.47Å; E876-L878 PolarHBondContact O-N 2.8Å; L878-I881 PolarHBondContact O-N 2.87Å; L878-L882 WeakPolarHBondContact O-CG 3.41Å; L878-L882 PolarHBondContact O-N 2.68Å; L878-L882 VanDerWaalsContact O-N 3.1Å; L878-F952 HydrophobicContact CB-CE1 4.49Å; L878-F952 HydrophobicContact CB-CZ 4.31Å; L878-F952 HydrophobicContact CD2-CB 4.48Å; L878-F952 HydrophobicContact CD2-CD1 3.73Å; L878-F952 HydrophobicContact CD2-CD2 3.88Å; L878-F952 HydrophobicContact CD2-CE1 3.78Å; L878-F952 HydrophobicContact CD2-CE2 3.93Å; L878-F952 HydrophobicContact CD2-CG 3.77Å; L878-F952 HydrophobicContact CD2-CZ 3.87Å; L878-Y955 HydrophobicContact CD2-CG 4.29Å; L878-Y956 HydrophobicContact CD1-CE1 3.81Å; L878-Y956 HydrophobicContact CD2-CD1 4.3Å; L878-Y956 HydrophobicContact CD2-CE1 3.94Å
879T92.6Very high92.7Very high18 Ų1864.2 Ų64.211%0.1130%0.304CS..Hα-helixtrans-71.5-34.6176.5-550000111.5I875 E876 D877 I881 L882 D883 V895I875-T879 VanDerWaalsContact O-CB 3.26Å; I875-T879 WeakPolarHBondContact O-CB 3.41Å; I875-T879 PolarHBondContact O-N 2.92Å; I875-T879 PolarHBondContact O-OG1 3.2Å; E876-T879 PolarHBondContact O-N 2.87Å; D877-T879 VanDerWaalsContact C-N 3.32Å; D877-T879 PolarHBondContact O-N 2.92Å; T879-I881 VanDerWaalsContact C-N 3.35Å; T879-L882 PolarHBondContact O-N 2.88Å; T879-D883 WeakPolarHBondContact O-CB 3.25Å; T879-D883 PolarHBondContact O-N 2.77Å; T879-V895 HydrophobicContact CG2-CB 4.46Å; T879-V895 WeakPolarHBondContact CG2-O 3.44Å
880E91.3Very high92.5Very high121 Ų12160.9 Ų60.957%0.56528%0.282SS*.Hα-helixtrans-68.3-33.2175-176.8161.2-139.200112.5E876 D877 D883 R884E876-E880 PolarHBondContact O-N 2.84Å; D877-E880 PolarHBondContact O-N 3.05Å; E880-D883 WeakPolarHBondContact O-CB 3.31Å; E880-R884 PolarHBondContact O-N 2.94Å; E880-R884 VanDerWaalsContact O-N 3.09Å
881I93.9Very high92.3Very high8 Ų862.6 Ų62.64%0.04130%0.296CS..Hα-helixtrans-66.2-46.2170.8-63.7162.4000110.6D877 L878 T879 R884 Y885 D951 F952 Y955D877-I881 WeakPolarHBondContact O-CG1 3.25Å; D877-I881 PolarHBondContact O-N 2.81Å; D877-I881 VanDerWaalsContact O-N 3.16Å; L878-I881 PolarHBondContact O-N 2.87Å; T879-I881 VanDerWaalsContact C-N 3.35Å; I881-R884 WeakPolarHBondContact O-CB 3.27Å; I881-R884 PolarHBondContact O-N 2.79Å; I881-Y885 HydrophobicContact CG2-CD2 3.88Å; I881-Y885 HydrophobicContact CG2-CE2 3.74Å; I881-Y885 VanDerWaalsContact O-CD2 3.26Å; I881-Y885 WeakPolarHBondContact O-CD2 3.28Å; I881-Y885 PolarHBondContact O-N 2.76Å; I881-D951 HydrophobicContact CD1-CB 4.32Å; I881-D951 WeakPolarHBondContact CD1-O 3.08Å; I881-D951 HydrophobicContact CG2-CB 3.72Å; I881-F952 HydrophobicContact CB-CD1 4.35Å; I881-F952 HydrophobicContact CB-CE1 3.96Å; I881-F952 HydrophobicContact CD1-CD1 4.05Å; I881-F952 HydrophobicContact CD1-CE1 4.33Å; I881-F952 HydrophobicContact CG2-CD1 3.89Å; I881-F952 HydrophobicContact CG2-CE1 3.71Å; I881-Y955 HydrophobicContact CD1-CD2 3.97Å; I881-Y955 HydrophobicContact CD1-CE2 3.65Å
882L95.2Very high92Very high1 Ų164.4 Ų64.41%0.00532%0.315CS..Hα-helixtrans-65.3-37.5177.2-66.9171.9000112.3I862 L878 T879 R884 Y885 V886 V895 V921 L941 I948 F952I862-L882 HydrophobicContact CD1-CD1 3.89Å; I862-L882 HydrophobicContact CD1-CD2 4.06Å; L878-L882 WeakPolarHBondContact O-CG 3.41Å; L878-L882 PolarHBondContact O-N 2.68Å; L878-L882 VanDerWaalsContact O-N 3.1Å; T879-L882 PolarHBondContact O-N 2.88Å; L882-R884 PolarHBondContact O-N 2.96Å; L882-Y885 PolarHBondContact O-N 3.06Å; L882-V886 WeakPolarHBondContact O-CG2 3.45Å; L882-V886 PolarHBondContact O-N 2.92Å; L882-V886 VanDerWaalsContact O-N 3.07Å; L882-V895 HydrophobicContact CB-CB 4.2Å; L882-V895 HydrophobicContact CB-CG1 4Å; L882-V895 HydrophobicContact CB-CG2 4.05Å; L882-V895 HydrophobicContact CD1-CG1 4.33Å; L882-V921 HydrophobicContact CD1-CG1 4.38Å; L882-L941 HydrophobicContact CD2-CD2 3.81Å; L882-I948 HydrophobicContact CD2-CG2 4.28Å; L882-F952 HydrophobicContact CD1-CZ 4.17Å; L882-F952 HydrophobicContact CD2-CE1 4.35Å; L882-F952 HydrophobicContact CD2-CZ 3.93Å; L882-F952 HydrophobicContact CG-CE1 4.25Å; L882-F952 HydrophobicContact CG-CZ 3.89Å
883D93Very high92Very high13 Ų1358.2 Ų58.27%0.0729%0.286CS..Hα-helixtrans-53.6-52170.4-82.7-20.1000110.2T879 E880 Y885 V886 Q887 K894 V895T879-D883 WeakPolarHBondContact O-CB 3.25Å; T879-D883 PolarHBondContact O-N 2.77Å; E880-D883 WeakPolarHBondContact O-CB 3.31Å; D883-Y885 PolarHBondContact O-N 2.96Å; D883-V886 PolarHBondContact O-N 3.07Å; D883-Q887 VanDerWaalsContact O-CB 3.29Å; D883-Q887 WeakPolarHBondContact O-CB 3.45Å; D883-Q887 WeakPolarHBondContact O-CG 3.38Å; D883-Q887 PolarHBondContact O-N 3.3Å; D883-K894 WeakPolarHBondContact OD1-CD 3.34Å; D883-K894 IonicContact OD1-NZ 2.73Å; D883-K894 PolarHBondContact OD1-NZ 2.7Å; D883-K894 VanDerWaalsContact OD2-CE 3.32Å; D883-K894 WeakPolarHBondContact OD2-CE 3.31Å; D883-K894 IonicContact OD2-NZ 2.69Å; D883-K894 PolarHBondContact OD2-NZ 3.48Å; D883-V895 PolarHBondContact OD1-N 2.79Å
884R93.8Very high92.1Very high111 Ų11151.9 Ų51.942%0.41926%0.258SS..Hα-helixtrans-54.4-52.2-179.9176.1168.563.2-117.79111.6E880 I881 L882 V886 Q887 E888 D951E880-R884 PolarHBondContact O-N 2.94Å; E880-R884 VanDerWaalsContact O-N 3.09Å; I881-R884 WeakPolarHBondContact O-CB 3.27Å; I881-R884 PolarHBondContact O-N 2.79Å; L882-R884 PolarHBondContact O-N 2.96Å; R884-V886 VanDerWaalsContact C-N 3.35Å; R884-V886 PolarHBondContact O-N 2.85Å; R884-Q887 PolarHBondContact O-N 2.81Å; R884-E888 WeakPolarHBondContact O-CG 3.27Å; R884-E888 PolarHBondContact O-N 2.92Å; R884-E888 VanDerWaalsContact O-N 3.08Å; R884-D951 IonicContact CZ-OD2 2.67Å; R884-D951 IonicContact NE-OD2 3.06Å; R884-D951 IonicContact NH2-OD2 3.27Å; R884-D951 PolarHBondContact NH2-OD2 2.57Å
885Y94.4Very high92.1Very high17 Ų1748.5 Ų48.57%0.06724%0.244CC..Hα-helixtrans-67-30.7-177.4-76.8-67.3000114.3I881 L882 D883 E888 K944 D947 I948 D951I881-Y885 HydrophobicContact CG2-CD2 3.88Å; I881-Y885 HydrophobicContact CG2-CE2 3.74Å; I881-Y885 VanDerWaalsContact O-CD2 3.26Å; I881-Y885 WeakPolarHBondContact O-CD2 3.28Å; I881-Y885 PolarHBondContact O-N 2.76Å; L882-Y885 PolarHBondContact O-N 3.06Å; D883-Y885 PolarHBondContact O-N 2.96Å; Y885-E888 WeakPolarHBondContact CD1-OE2 3.34Å; Y885-K944 HydrophobicContact CD1-CB 4.16Å; Y885-K944 HydrophobicContact CD1-CD 3.63Å; Y885-K944 HydrophobicContact CE1-CB 4.42Å; Y885-K944 HydrophobicContact CE1-CD 4.04Å; Y885-D947 HydrophobicContact CE1-CB 4.13Å; Y885-D947 WeakPolarHBondContact OH-CB 3.15Å; Y885-D947 PolarHBondContact OH-O 3.29Å; Y885-I948 HydrophobicContact CD1-CG1 4.23Å; Y885-I948 HydrophobicContact CD2-CB 4.39Å; Y885-I948 HydrophobicContact CD2-CD1 4.38Å; Y885-I948 HydrophobicContact CD2-CG1 3.4Å; Y885-I948 HydrophobicContact CE1-CG1 4.39Å; Y885-I948 HydrophobicContact CE2-CB 4.21Å; Y885-I948 HydrophobicContact CE2-CG1 3.58Å; Y885-I948 HydrophobicContact CG-CD1 4.35Å; Y885-I948 HydrophobicContact CG-CG1 3.73Å; Y885-D951 HydrophobicContact CE2-CB 4.38Å; Y885-D951 PolarHBondContact OH-OD2 2.93Å; Y885-D951 VanDerWaalsContact OH-OD2 3.06Å
886V94.3Very high92.1Very high0 Ų047.6 Ų47.60%024%0.24CC..Hα-helixtrans-80-32.2173.9-179.60000111.4L882 D883 R884 E888 Q889 I890 A893 V895 A923 I932 L937 F940 L941L882-V886 WeakPolarHBondContact O-CG2 3.45Å; L882-V886 PolarHBondContact O-N 2.92Å; L882-V886 VanDerWaalsContact O-N 3.07Å; D883-V886 PolarHBondContact O-N 3.07Å; R884-V886 VanDerWaalsContact C-N 3.35Å; R884-V886 PolarHBondContact O-N 2.85Å; V886-E888 VanDerWaalsContact C-N 3.32Å; V886-E888 PolarHBondContact O-N 2.83Å; V886-Q889 PolarHBondContact O-N 2.81Å; V886-I890 PolarHBondContact O-N 3.12Å; V886-A893 HydrophobicContact CG1-CB 3.84Å; V886-V895 HydrophobicContact CB-CG2 3.99Å; V886-V895 HydrophobicContact CG2-CG2 3.66Å; V886-A923 HydrophobicContact CG1-CB 4.07Å; V886-I932 HydrophobicContact CG1-CD1 4.18Å; V886-L937 HydrophobicContact CG2-CD1 3.93Å; V886-F940 HydrophobicContact CG1-CD2 4.3Å; V886-L941 HydrophobicContact CG2-CD2 3.97Å
887Q93.5Very high92.3Very high80 Ų8041.5 Ų41.537%0.37421%0.214SC..Hα-helixtrans-68.1-28.2175.8-74.9175.224.800113.6D883 R884 Q889 I890 A893D883-Q887 VanDerWaalsContact O-CB 3.29Å; D883-Q887 WeakPolarHBondContact O-CB 3.45Å; D883-Q887 WeakPolarHBondContact O-CG 3.38Å; D883-Q887 PolarHBondContact O-N 3.3Å; R884-Q887 PolarHBondContact O-N 2.81Å; Q887-Q889 PolarHBondContact O-N 2.87Å; Q887-I890 WeakPolarHBondContact CA-O 3.19Å; Q887-I890 CarbonylContact O-C 3.28Å; Q887-A893 WeakPolarHBondContact CG-O 3.08Å; Q887-A893 PolarHBondContact NE2-O 3Å
888E91.7Very high92.3Very high95 Ų9542.1 Ų42.144%0.44422%0.215SC..THydrogen-bonded Turntrans-63.6-12.5168.3-71.7175.715400113.6R884 Y885 V886 K944R884-E888 WeakPolarHBondContact O-CG 3.27Å; R884-E888 PolarHBondContact O-N 2.92Å; R884-E888 VanDerWaalsContact O-N 3.08Å; Y885-E888 WeakPolarHBondContact CD1-OE2 3.34Å; V886-E888 VanDerWaalsContact C-N 3.32Å; V886-E888 PolarHBondContact O-N 2.83Å; E888-K944 IonicContact OE1-NZ 2.85Å; E888-K944 IonicContact OE2-NZ 3.78Å; E888-K944 PolarHBondContact OE2-NZ 3.27Å
889Q91.7Very high92.1Very high95 Ų9544.8 Ų44.844%0.44423%0.234SC..THydrogen-bonded Turntrans-112.8-39.8178.3-57-65.2-89.400111.8V886 Q887 F940V886-Q889 PolarHBondContact O-N 2.81Å; Q887-Q889 PolarHBondContact O-N 2.87Å; Q889-F940 HydrophobicContact CB-CD1 3.73Å; Q889-F940 HydrophobicContact CB-CD2 4.13Å; Q889-F940 HydrophobicContact CB-CE1 3.78Å; Q889-F940 HydrophobicContact CB-CE2 4.17Å; Q889-F940 HydrophobicContact CB-CG 3.92Å; Q889-F940 HydrophobicContact CB-CZ 4Å; Q889-F940 HydrophobicContact CG-CB 4.11Å; Q889-F940 HydrophobicContact CG-CD1 3.61Å; Q889-F940 HydrophobicContact CG-CD2 4.49Å; Q889-F940 HydrophobicContact CG-CE1 4.13Å; Q889-F940 HydrophobicContact CG-CG 3.83Å
890I89.9Confident92.1Very high30 Ų3046.5 Ų46.515%0.15424%0.242CC..SBendtrans-131.7100.1176.7-61-178.8000108.7V886 Q887 G892 A893 D925 I932 F940V886-I890 PolarHBondContact O-N 3.12Å; Q887-I890 WeakPolarHBondContact CA-O 3.19Å; Q887-I890 CarbonylContact O-C 3.28Å; I890-G892 PolarHBondContact O-N 3.04Å; I890-A893 HydrophobicContact CB-CB 4.03Å; I890-A893 HydrophobicContact CG2-CB 4.07Å; I890-A893 WeakPolarHBondContact O-CB 3.5Å; I890-A893 PolarHBondContact O-N 2.91Å; I890-D925 HydrophobicContact CG2-CB 4.11Å; I890-I932 HydrophobicContact CD1-CD1 3.77Å; I890-I932 HydrophobicContact CD1-CG1 3.79Å; I890-I932 HydrophobicContact CD1-CG2 4.21Å; I890-F940 HydrophobicContact CD1-CE2 3.73Å; I890-F940 HydrophobicContact CD1-CZ 3.95Å; I890-F940 HydrophobicContact CG1-CE2 4.1Å; I890-F940 HydrophobicContact CG1-CZ 4.16Å
891P88.9Confident92.2Very high91 Ų9142 Ų4259%0.59123%0.229SC*.THydrogen-bonded Turntrans-54.9125.5-174.1-30.436.8000113.9A893P891-A893 VanDerWaalsContact C-N 3.31Å
892G86.4Confident92.1Very high38 Ų3842.2 Ų42.239%0.39223%0.231SC..THydrogen-bonded Turntrans78.64.3-178.500000115.6I890 P926I890-G892 PolarHBondContact O-N 3.04Å; G892-P926 WeakPolarHBondContact O-CD 3.33Å; G892-P926 WeakPolarHBondContact O-CG 3.16Å
893A91.5Very high92Very high0 Ų044.6 Ų44.60%024%0.24CC..  trans-56.3146.4171.200000112.3V886 Q887 I890 P891 I924 I932V886-A893 HydrophobicContact CG1-CB 3.84Å; Q887-A893 WeakPolarHBondContact CG-O 3.08Å; Q887-A893 PolarHBondContact NE2-O 3Å; I890-A893 HydrophobicContact CB-CB 4.03Å; I890-A893 HydrophobicContact CG2-CB 4.07Å; I890-A893 WeakPolarHBondContact O-CB 3.5Å; I890-A893 PolarHBondContact O-N 2.91Å; P891-A893 VanDerWaalsContact C-N 3.31Å; A893-I924 VanDerWaalsContact CA-O 3.31Å; A893-I924 WeakPolarHBondContact CA-O 3.38Å; A893-I932 HydrophobicContact CB-CD1 3.95Å
894K92.5Very high91.8Very high43 Ų4348.7 Ų48.719%0.18726%0.255CS..EExtended strand (participates in β ladder)trans-120.2121.7178.3-176.578.1-166.681.70110.2I761 D883 V896 A923 I924I761-K894 HydrophobicContact CB-CB 3.74Å; I761-K894 HydrophobicContact CB-CG 4.02Å; I761-K894 HydrophobicContact CD1-CB 4.09Å; I761-K894 HydrophobicContact CG1-CB 4.48Å; I761-K894 HydrophobicContact CG2-CB 3.8Å; I761-K894 HydrophobicContact CG2-CG 4.31Å; D883-K894 WeakPolarHBondContact OD1-CD 3.34Å; D883-K894 IonicContact OD1-NZ 2.73Å; D883-K894 PolarHBondContact OD1-NZ 2.7Å; D883-K894 VanDerWaalsContact OD2-CE 3.32Å; D883-K894 WeakPolarHBondContact OD2-CE 3.31Å; D883-K894 IonicContact OD2-NZ 2.69Å; D883-K894 PolarHBondContact OD2-NZ 3.48Å; K894-V896 HydrophobicContact CG-CG2 4.2Å; K894-A923 CarbonylContact O-C 3.48Å; K894-A923 VanDerWaalsContact O-CA 3.32Å; K894-A923 WeakPolarHBondContact O-CA 3.39Å; K894-I924 PolarHBondContact N-O 2.89Å; K894-I924 PolarHBondContact O-N 2.76Å
895V93.5Very high91.3Very high1 Ų146.6 Ų46.61%0.00625%0.25CC..EExtended strand (participates in β ladder)trans-77.1136.1167.6-179.40000109T879 L882 D883 V886 V921 Y922 A923T879-V895 HydrophobicContact CG2-CB 4.46Å; T879-V895 WeakPolarHBondContact CG2-O 3.44Å; L882-V895 HydrophobicContact CB-CB 4.2Å; L882-V895 HydrophobicContact CB-CG1 4Å; L882-V895 HydrophobicContact CB-CG2 4.05Å; L882-V895 HydrophobicContact CD1-CG1 4.33Å; D883-V895 PolarHBondContact OD1-N 2.79Å; V886-V895 HydrophobicContact CB-CG2 3.99Å; V886-V895 HydrophobicContact CG2-CG2 3.66Å; V895-V921 HydrophobicContact CG1-CB 4.2Å; V895-V921 HydrophobicContact CG1-CG1 4.38Å; V895-Y922 WeakPolarHBondContact CA-O 3.22Å; V895-A923 HydrophobicContact CG2-CB 4.23Å
896V92.4Very high90.4Very high20 Ų2047.9 Ų47.912%0.12127%0.268CS..EExtended strand (participates in β ladder)trans-129.7139.9177-171.40000108.3K894 V921 Y922 I924K894-V896 HydrophobicContact CG-CG2 4.2Å; V896-V921 WeakPolarHBondContact O-CA 3.03Å; V896-Y922 HydrophobicContact CB-CD2 4.21Å; V896-Y922 HydrophobicContact CB-CE1 4.16Å; V896-Y922 HydrophobicContact CB-CE2 3.62Å; V896-Y922 HydrophobicContact CG1-CE1 4.23Å; V896-Y922 HydrophobicContact CG1-CE2 4.13Å; V896-Y922 VanDerWaalsContact CG1-OH 3.28Å; V896-Y922 WeakPolarHBondContact CG1-OH 3.45Å; V896-Y922 HydrophobicContact CG2-CE2 4.04Å; V896-Y922 PolarHBondContact N-O 2.9Å; V896-Y922 PolarHBondContact O-N 2.88Å; V896-I924 HydrophobicContact CG2-CD1 4.39Å
897V92.3Very high89.2Confident37 Ų3755 Ų5522%0.22431%0.306CS..EExtended strand (participates in β ladder)trans-96.6121.4-179.5176.80000108.3I875 I900 L919 V921I875-V897 HydrophobicContact CD1-CB 4.49Å; I875-V897 HydrophobicContact CD1-CG1 4.15Å; I875-V897 HydrophobicContact CD1-CG2 3.81Å; I875-V897 HydrophobicContact CG1-CB 4.44Å; I875-V897 HydrophobicContact CG1-CG1 4.33Å; I875-V897 HydrophobicContact CG1-CG2 3.99Å; V897-I900 HydrophobicContact CG1-CG1 3.98Å; V897-L919 HydrophobicContact CG1-CD1 3.61Å; V897-L919 HydrophobicContact CG2-CD1 4.22Å; V897-V921 HydrophobicContact CG2-CG1 4.28Å
898E90.8Very high88.1Confident65 Ų6556 Ų5630%0.30433%0.327SS..EExtended strand (participates in β ladder)trans-84.2-45.3175.7-175.764-146.300110.9S765 M859 T920 Y922S765-E898 WeakPolarHBondContact CB-OE1 3.44Å; M859-E898 HydrophobicContact CE-CB 4.07Å; M859-E898 HydrophobicContact CE-CG 3.62Å; M859-E898 WeakPolarHBondContact CE-OE2 3Å; M859-E898 HydrophobicContact SD-CB 4.31Å; M859-E898 HydrophobicContact SD-CG 4.08Å; E898-T920 HydrophobicContact CB-CG2 4.14Å; E898-T920 PolarHBondContact N-O 3.41Å; E898-Y922 HydrophobicContact CB-CD1 4.29Å; E898-Y922 HydrophobicContact CB-CE1 4Å; E898-Y922 WeakPolarHBondContact OE2-CE1 3.18Å
899S90.3Very high87.6Confident56 Ų5654.7 Ų54.739%0.39232%0.319SS..EExtended strand (participates in β ladder)trans-157.7153-175.251.50000112.9T920S899-T920 PolarHBondContact O-N 3.3Å; S899-T920 VanDerWaalsContact OG-CB 3.27Å; S899-T920 WeakPolarHBondContact OG-CB 3.24Å; S899-T920 PolarHBondContact OG-OG1 3.22Å
900I93.1Very high87Confident54 Ų5454.3 Ų54.328%0.27733%0.327SS..EExtended strand (participates in β ladder)trans-126129.5175-46.1178.1000106.1P868 V871 E872 I875 V897 C917 L919P868-I900 HydrophobicContact CB-CG2 4.23Å; V871-I900 HydrophobicContact CB-CG2 4.09Å; V871-I900 HydrophobicContact CG1-CG2 4Å; E872-I900 HydrophobicContact CB-CD1 4.05Å; E872-I900 HydrophobicContact CG-CD1 4.47Å; I875-I900 HydrophobicContact CB-CD1 4.22Å; I875-I900 HydrophobicContact CD1-CD1 3.73Å; I875-I900 HydrophobicContact CD1-CG1 4.4Å; I875-I900 HydrophobicContact CG1-CD1 3.86Å; V897-I900 HydrophobicContact CG1-CG1 3.98Å; I900-C917 WeakPolarHBondContact CG2-SG 3.3Å; I900-L919 HydrophobicContact CG1-CD1 3.97Å
901G93Very high86.8Confident28 Ų2857.6 Ų57.629%0.28934%0.344SS..EExtended strand (participates in β ladder)trans-155.9169-177.200000113.7P868 C917 D918P868-G901 VanDerWaalsContact CG-C 3.49Å; P868-G901 WeakPolarHBondContact CG-O 3.09Å; G901-C917 CarbonylContact O-C 3.58Å; G901-C917 WeakPolarHBondContact O-CA 3.47Å; G901-D918 PolarHBondContact N-O 3.38Å; G901-D918 PolarHBondContact O-N 2.89Å
902A92.9Very high86.8Confident12 Ų1257 Ų5710%0.09933%0.334CS..EExtended strand (participates in β ladder)trans-60145.3171.400000110.6P868 R904 E912 Y914P868-A902 HydrophobicContact CG-CB 4.43Å; A902-R904 PolarHBondContact O-N 2.86Å; A902-R904 VanDerWaalsContact O-N 3.17Å; A902-E912 HydrophobicContact CB-CB 4.22Å; A902-Y914 HydrophobicContact CB-CD1 3.78Å; A902-Y914 HydrophobicContact CB-CD2 3.78Å; A902-Y914 HydrophobicContact CB-CE1 3.86Å; A902-Y914 HydrophobicContact CB-CE2 3.82Å; A902-Y914 HydrophobicContact CB-CG 3.73Å
903R92.5Very high87Confident51 Ų5156.8 Ų56.819%0.19232%0.323CS..EExtended strand (participates in β ladder)trans-63.5119.6-178.1-179.7-175.2-177.6-166.55.1111.1V863 E912 D913 K916 D918 E964V863-R903 HydrophobicContact CG1-CG 3.93Å; V863-R903 VanDerWaalsContact CG1-NE 3.26Å; R903-E912 CarbonylContact O-C 3.54Å; R903-E912 WeakPolarHBondContact O-CA 3.46Å; R903-D913 HydrophobicContact CB-CB 4.38Å; R903-D913 PolarHBondContact N-O 3.05Å; R903-D913 VanDerWaalsContact N-O 3.11Å; R903-D913 PolarHBondContact O-N 3.08Å; R903-K916 HydrophobicContact CB-CB 3.6Å; R903-K916 HydrophobicContact CG-CB 4.46Å; R903-K916 PolarHBondContact N-O 2.81Å; R903-K916 VanDerWaalsContact N-O 3.12Å; R903-D918 WeakPolarHBondContact CA-OD2 3.33Å; R903-E964 IonicContact CZ-OE1 3.6Å; R903-E964 IonicContact NE-OE1 2.65Å; R903-E964 IonicContact NH2-OE1 2.63Å; R903-E964 PolarHBondContact NH2-OE1 3.19Å
904R88.7Confident87Confident99 Ų9964.1 Ų64.137%0.37435%0.352SS..EExtended strand (participates in β ladder)trans-81.4133.5170.5-63.2-172177.5-65.4-18.4110.5A902 L911 E912 D918 R966 E969A902-R904 PolarHBondContact O-N 2.86Å; A902-R904 VanDerWaalsContact O-N 3.17Å; R904-L911 CarbonylContact C-O 3.55Å; R904-L911 WeakPolarHBondContact CA-O 3.16Å; R904-E912 HydrophobicContact CG-CG 4.36Å; R904-E912 IonicContact CZ-OE1 3.24Å; R904-E912 IonicContact NH1-OE1 3.46Å; R904-E912 PolarHBondContact NH1-OE1 3.08Å; R904-E912 IonicContact NH2-OE1 2.75Å; R904-E912 PolarHBondContact NH2-OE1 2.96Å; R904-D918 PolarHBondContact N-OD2 3.35Å; R904-R966 PolarHBondContact O-NH2 3.31Å; R904-E969 WeakPolarHBondContact CB-OE1 3.26Å; R904-E969 WeakPolarHBondContact CD-OE1 3.44Å; R904-E969 VanDerWaalsContact CD-OE2 3.24Å; R904-E969 WeakPolarHBondContact CD-OE2 3.48Å
905H83.3Confident86.9Confident67 Ų6765 Ų6531%0.3136%0.364SS..EExtended strand (participates in β ladder)trans-157.5-179.1-174.273-56.7000112.1Y909 S910 L911H905-Y909 CarbonylContact O-C 3.49Å; H905-Y909 VanDerWaalsContact O-C 3.28Å; H905-Y909 WeakPolarHBondContact O-CA 3.5Å; H905-S910 PolarHBondContact O-N 2.9Å; H905-L911 PolarHBondContact N-O 2.84Å; H905-L911 PolarHBondContact ND1-O 3.42Å; H905-L911 WeakPolarHBondContact O-CB 2.94Å; H905-L911 PolarHBondContact O-N 2.87Å
906G75.5Confident86.9Confident44 Ų4467.4 Ų67.445%0.45437%0.374SS..SBendtrans75.9-170.1-176.100000113.4A908 Y909G906-A908 PolarHBondContact O-N 3.41Å; G906-Y909 PolarHBondContact O-N 3.4Å
907D69.2Low87Confident149 Ų14966.4 Ų66.480%0.79737%0.368SS*.G310 helixtrans-61.6127.4-177.3-80-40.7000111.5Y909 S910D907-Y909 PolarHBondContact O-N 2.85Å; D907-S910 WeakPolarHBondContact O-CB 3.37Å; D907-S910 PolarHBondContact O-N 3.49Å; D907-S910 VanDerWaalsContact O-N 3.15Å; D907-S910 PolarHBondContact O-OG 3.13Å
908A70.1Confident87.1Confident100 Ų10065.1 Ų65.183%0.82636%0.36SS*.G310 helixtrans48.827.6-172.200000114.8G906 S910G906-A908 PolarHBondContact O-N 3.41Å; A908-S910 VanDerWaalsContact C-N 3.26Å; A908-S910 PolarHBondContact O-N 2.83Å
909Y80.7Confident87.3Confident68 Ų6862 Ų6227%0.26735%0.346SS..G310 helixtrans6128.3-178.9-57-75000115.1H905 G906 D907 L911 R966 E969H905-Y909 CarbonylContact O-C 3.49Å; H905-Y909 VanDerWaalsContact O-C 3.28Å; H905-Y909 WeakPolarHBondContact O-CA 3.5Å; G906-Y909 PolarHBondContact O-N 3.4Å; D907-Y909 PolarHBondContact O-N 2.85Å; Y909-L911 VanDerWaalsContact C-N 3.33Å; Y909-L911 PolarHBondContact O-N 2.88Å; Y909-R966 VanDerWaalsContact CZ-NH1 3.31Å; Y909-E969 VanDerWaalsContact CB-OE1 3.23Å; Y909-E969 WeakPolarHBondContact CB-OE1 3.24Å; Y909-E969 WeakPolarHBondContact CB-OE2 3.49Å; Y909-E969 HydrophobicContact CD1-CG 4.49Å; Y909-E969 HydrophobicContact CD2-CB 3.92Å; Y909-E969 HydrophobicContact CD2-CG 3.53Å; Y909-E969 HydrophobicContact CE2-CB 4.36Å; Y909-E969 HydrophobicContact CE2-CG 3.93Å; Y909-E969 VanDerWaalsContact CG-CD 3.5Å; Y909-E969 HydrophobicContact CG-CG 3.83Å; Y909-E969 VanDerWaalsContact CG-OE1 3.3Å
910S79.5Confident87.5Confident88 Ų8860.4 Ų60.462%0.61533%0.333SS*.  trans-71.3-14.2-17553.10000116.2H905 D907 A908H905-S910 PolarHBondContact O-N 2.9Å; D907-S910 WeakPolarHBondContact O-CB 3.37Å; D907-S910 PolarHBondContact O-N 3.49Å; D907-S910 VanDerWaalsContact O-N 3.15Å; D907-S910 PolarHBondContact O-OG 3.13Å; A908-S910 VanDerWaalsContact C-N 3.26Å; A908-S910 PolarHBondContact O-N 2.83Å
911L85.1Confident87.5Confident98 Ų9857.8 Ų57.851%0.51332%0.32SS..EExtended strand (participates in β ladder)trans-110.4135.1-174.9-69.3156.9000111.7R904 H905 Y909R904-L911 CarbonylContact C-O 3.55Å; R904-L911 WeakPolarHBondContact CA-O 3.16Å; H905-L911 PolarHBondContact N-O 2.84Å; H905-L911 PolarHBondContact ND1-O 3.42Å; H905-L911 WeakPolarHBondContact O-CB 2.94Å; H905-L911 PolarHBondContact O-N 2.87Å; Y909-L911 VanDerWaalsContact C-N 3.33Å; Y909-L911 PolarHBondContact O-N 2.88Å
912E88.8Confident87.6Confident80 Ų8056.6 Ų56.637%0.37431%0.307SS..EExtended strand (participates in β ladder)trans-104.4129.5177.8-69.4176.1-168.400111.7A902 R903 R904 Y914A902-E912 HydrophobicContact CB-CB 4.22Å; R903-E912 CarbonylContact O-C 3.54Å; R903-E912 WeakPolarHBondContact O-CA 3.46Å; R904-E912 HydrophobicContact CG-CG 4.36Å; R904-E912 IonicContact CZ-OE1 3.24Å; R904-E912 IonicContact NH1-OE1 3.46Å; R904-E912 PolarHBondContact NH1-OE1 3.08Å; R904-E912 IonicContact NH2-OE1 2.75Å; R904-E912 PolarHBondContact NH2-OE1 2.96Å; E912-Y914 HydrophobicContact CB-CD2 4.32Å; E912-Y914 HydrophobicContact CB-CE2 3.72Å; E912-Y914 WeakPolarHBondContact OE2-CE2 3.36Å; E912-Y914 PolarHBondContact OE2-OH 3.42Å
913D90.8Very high87.7Confident32 Ų3256 Ų5617%0.17130%0.302CS..EExtended strand (participates in β ladder)trans-114.898.3177.7176.54.9000110.6R903 S915 K916R903-D913 HydrophobicContact CB-CB 4.38Å; R903-D913 PolarHBondContact N-O 3.05Å; R903-D913 VanDerWaalsContact N-O 3.11Å; R903-D913 PolarHBondContact O-N 3.08Å; D913-S915 PolarHBondContact O-N 3.5Å; D913-S915 WeakPolarHBondContact OD1-CB 3.49Å; D913-S915 PolarHBondContact OD1-N 2.85Å; D913-S915 PolarHBondContact OD1-OG 3.27Å; D913-S915 PolarHBondContact OD2-OG 3.09Å; D913-K916 PolarHBondContact O-N 3.02Å; D913-K916 VanDerWaalsContact O-N 3.12Å; D913-K916 IonicContact OD1-NZ 2.7Å; D913-K916 VanDerWaalsContact OD2-CD 3.26Å; D913-K916 WeakPolarHBondContact OD2-CD 3.29Å; D913-K916 WeakPolarHBondContact OD2-CE 3.29Å; D913-K916 IonicContact OD2-NZ 3.25Å; D913-K916 PolarHBondContact OD2-NZ 3.2Å
914Y92.1Very high87.7Confident154 Ų15453.6 Ų53.660%0.60429%0.293SS*.EExtended strand (participates in β ladder)trans-70.5-7.3-178.9-71.6-101.9000113.9P867 P868 A902 E912 K916P867-Y914 WeakPolarHBondContact CB-O 3.4Å; P868-Y914 WeakPolarHBondContact CD-O 3.31Å; A902-Y914 HydrophobicContact CB-CD1 3.78Å; A902-Y914 HydrophobicContact CB-CD2 3.78Å; A902-Y914 HydrophobicContact CB-CE1 3.86Å; A902-Y914 HydrophobicContact CB-CE2 3.82Å; A902-Y914 HydrophobicContact CB-CG 3.73Å; E912-Y914 HydrophobicContact CB-CD2 4.32Å; E912-Y914 HydrophobicContact CB-CE2 3.72Å; E912-Y914 WeakPolarHBondContact OE2-CE2 3.36Å; E912-Y914 PolarHBondContact OE2-OH 3.42Å; Y914-K916 PolarHBondContact O-N 2.87Å
915S90.7Very high87.9Confident62 Ų6249.5 Ų49.543%0.43428%0.279SS..EExtended strand (participates in β ladder)trans-77.4-8.2169.8730000112.9V866 D913V866-S915 CarbonylContact C-O 3.54Å; D913-S915 PolarHBondContact O-N 3.5Å; D913-S915 WeakPolarHBondContact OD1-CB 3.49Å; D913-S915 PolarHBondContact OD1-N 2.85Å; D913-S915 PolarHBondContact OD1-OG 3.27Å; D913-S915 PolarHBondContact OD2-OG 3.09Å
916K93.2Very high88.2Confident51 Ų5147.8 Ų47.822%0.22227%0.274CS..EExtended strand (participates in β ladder)trans-135.6161.1-173.3-59.5-176.5-170.360.10109.7S864 V866 R903 D913 Y914 L963S864-K916 WeakPolarHBondContact O-CA 3.12Å; S864-K916 VanDerWaalsContact O-CB 3.31Å; S864-K916 WeakPolarHBondContact O-CB 3.43Å; V866-K916 CarbonylContact O-C 3.5Å; V866-K916 VanDerWaalsContact O-CA 3.25Å; V866-K916 WeakPolarHBondContact O-CA 3.4Å; R903-K916 HydrophobicContact CB-CB 3.6Å; R903-K916 HydrophobicContact CG-CB 4.46Å; R903-K916 PolarHBondContact N-O 2.81Å; R903-K916 VanDerWaalsContact N-O 3.12Å; D913-K916 PolarHBondContact O-N 3.02Å; D913-K916 VanDerWaalsContact O-N 3.12Å; D913-K916 IonicContact OD1-NZ 2.7Å; D913-K916 VanDerWaalsContact OD2-CD 3.26Å; D913-K916 WeakPolarHBondContact OD2-CD 3.29Å; D913-K916 WeakPolarHBondContact OD2-CE 3.29Å; D913-K916 IonicContact OD2-NZ 3.25Å; D913-K916 PolarHBondContact OD2-NZ 3.2Å; Y914-K916 PolarHBondContact O-N 2.87Å; K916-L963 HydrophobicContact CD-CD1 4.27Å
917C94.7Very high88.8Confident0 Ų052.4 Ų52.40%028%0.283CS..EExtended strand (participates in β ladder)trans-121.9133.4-175.7-170.10000110.6V863 S864 V866 P868 V871 I900 G901V863-C917 WeakPolarHBondContact CA-O 3.39Å; S864-C917 PolarHBondContact N-O 3.22Å; S864-C917 PolarHBondContact O-N 2.92Å; V866-C917 VanDerWaalsContact O-CB 3.29Å; V866-C917 WeakPolarHBondContact O-CB 3.3Å; V866-C917 PolarHBondContact O-N 3.44Å; P868-C917 HydrophobicContact CG-CB 4.37Å; V871-C917 HydrophobicContact CG2-CB 3.87Å; I900-C917 WeakPolarHBondContact CG2-SG 3.3Å; G901-C917 CarbonylContact O-C 3.58Å; G901-C917 WeakPolarHBondContact O-CA 3.47Å
918D94.6Very high89.9Confident9 Ų948.8 Ų48.85%0.04827%0.267CS..EExtended strand (participates in β ladder)trans-97122.2156.2-78.1-26.1000107.9V861 V863 G901 R903 R904 R966V861-D918 HydrophobicContact CG1-CB 3.59Å; V863-D918 WeakPolarHBondContact CG2-OD1 3.44Å; G901-D918 PolarHBondContact N-O 3.38Å; G901-D918 PolarHBondContact O-N 2.89Å; R903-D918 WeakPolarHBondContact CA-OD2 3.33Å; R904-D918 PolarHBondContact N-OD2 3.35Å; D918-R966 IonicContact OD1-NE 3.14Å; D918-R966 IonicContact OD1-NH2 3.65Å; D918-R966 IonicContact OD2-CZ 3.79Å; D918-R966 IonicContact OD2-NH2 3.1Å; D918-R966 PolarHBondContact OD2-NH2 3.04Å
919L95Very high90.9Very high1 Ų145.5 Ų45.51%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-114.2105.8179.9170.563.1000108.3I862 V871 I875 V897 I900 V921I862-L919 HydrophobicContact CB-CB 4.27Å; I862-L919 HydrophobicContact CD1-CD2 4.49Å; I862-L919 PolarHBondContact N-O 2.92Å; I862-L919 PolarHBondContact O-N 3.43Å; V871-L919 HydrophobicContact CG1-CD1 4.24Å; V871-L919 HydrophobicContact CG1-CD2 4.15Å; I875-L919 HydrophobicContact CD1-CD1 3.81Å; V897-L919 HydrophobicContact CG1-CD1 3.61Å; V897-L919 HydrophobicContact CG2-CD1 4.22Å; I900-L919 HydrophobicContact CG1-CD1 3.97Å; L919-V921 HydrophobicContact CD1-CG1 4.39Å; L919-V921 HydrophobicContact CD2-CG1 4.45Å; L919-V921 HydrophobicContact CG-CG1 3.97Å
920T93.6Very high91.5Very high21 Ų2147.5 Ų47.513%0.12924%0.242CC..EExtended strand (participates in β ladder)trans-85.7119.4-178.2-49.30000110.1M859 Q860 E898 S899M859-T920 HydrophobicContact CB-CG2 3.96Å; M859-T920 HydrophobicContact CG-CG2 4.3Å; M859-T920 HydrophobicContact SD-CG2 3.95Å; Q860-T920 CarbonylContact O-C 3.6Å; Q860-T920 WeakPolarHBondContact O-CA 3.38Å; E898-T920 HydrophobicContact CB-CG2 4.14Å; E898-T920 PolarHBondContact N-O 3.41Å; S899-T920 PolarHBondContact O-N 3.3Å; S899-T920 VanDerWaalsContact OG-CB 3.27Å; S899-T920 WeakPolarHBondContact OG-CB 3.24Å; S899-T920 PolarHBondContact OG-OG1 3.22Å
921V94.5Very high92.1Very high0 Ų043.4 Ų43.40%021%0.214CC..EExtended strand (participates in β ladder)trans-126.9155.2-177.7-59.80000112M859 Q860 I862 L882 V895 V896 V897 L919 L941M859-V921 CarbonylContact C-O 3.47Å; M859-V921 WeakPolarHBondContact CA-O 3.21Å; Q860-V921 HydrophobicContact CB-CG2 4.39Å; Q860-V921 PolarHBondContact N-O 3.25Å; Q860-V921 PolarHBondContact O-N 3.38Å; I862-V921 HydrophobicContact CD1-CG1 4.16Å; I862-V921 HydrophobicContact CD1-CG2 3.83Å; I862-V921 HydrophobicContact CG1-CG2 4.05Å; L882-V921 HydrophobicContact CD1-CG1 4.38Å; V895-V921 HydrophobicContact CG1-CB 4.2Å; V895-V921 HydrophobicContact CG1-CG1 4.38Å; V896-V921 WeakPolarHBondContact O-CA 3.03Å; V897-V921 HydrophobicContact CG2-CG1 4.28Å; L919-V921 HydrophobicContact CD1-CG1 4.39Å; L919-V921 HydrophobicContact CD2-CG1 4.45Å; L919-V921 HydrophobicContact CG-CG1 3.97Å; V921-L941 HydrophobicContact CG2-CD1 4.4Å
922Y94.2Very high92.4Very high2 Ų239.1 Ų39.11%0.00819%0.191CC..EExtended strand (participates in β ladder)trans-140.1167.7162.856.7-86000108.8G763 V854 M859 V895 V896 E898 I924G763-Y922 VanDerWaalsContact CA-OH 3.26Å; G763-Y922 WeakPolarHBondContact CA-OH 3.49Å; G763-Y922 PolarHBondContact O-OH 2.95Å; V854-Y922 HydrophobicContact CB-CD2 4.4Å; V854-Y922 HydrophobicContact CB-CE2 4.48Å; V854-Y922 HydrophobicContact CG1-CD2 3.73Å; V854-Y922 HydrophobicContact CG1-CE2 3.86Å; V854-Y922 HydrophobicContact CG1-CG 4.28Å; V854-Y922 HydrophobicContact CG2-CD1 4.02Å; V854-Y922 HydrophobicContact CG2-CD2 4.12Å; V854-Y922 HydrophobicContact CG2-CE1 3.75Å; V854-Y922 HydrophobicContact CG2-CE2 3.85Å; V854-Y922 HydrophobicContact CG2-CG 4.19Å; M859-Y922 HydrophobicContact CE-CD1 4.12Å; M859-Y922 HydrophobicContact CE-CE1 4.28Å; M859-Y922 HydrophobicContact CG-CD1 4.03Å; M859-Y922 HydrophobicContact CG-CG 4.47Å; V895-Y922 WeakPolarHBondContact CA-O 3.22Å; V896-Y922 HydrophobicContact CB-CD2 4.21Å; V896-Y922 HydrophobicContact CB-CE1 4.16Å; V896-Y922 HydrophobicContact CB-CE2 3.62Å; V896-Y922 HydrophobicContact CG1-CE1 4.23Å; V896-Y922 HydrophobicContact CG1-CE2 4.13Å; V896-Y922 VanDerWaalsContact CG1-OH 3.28Å; V896-Y922 WeakPolarHBondContact CG1-OH 3.45Å; V896-Y922 HydrophobicContact CG2-CE2 4.04Å; V896-Y922 PolarHBondContact N-O 2.9Å; V896-Y922 PolarHBondContact O-N 2.88Å; E898-Y922 HydrophobicContact CB-CD1 4.29Å; E898-Y922 HydrophobicContact CB-CE1 4Å; E898-Y922 WeakPolarHBondContact OE2-CE1 3.18Å; Y922-I924 HydrophobicContact CD2-CD1 4.45Å; Y922-I924 HydrophobicContact CD2-CG1 4.23Å; Y922-I924 HydrophobicContact CE2-CD1 3.93Å; Y922-I924 HydrophobicContact CE2-CG1 4.21Å
923A94.2Very high92.5Very high1 Ų137.9 Ų37.91%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-130.7139.2177.400000110.9V886 K894 V895 A931 I932 L937V886-A923 HydrophobicContact CG1-CB 4.07Å; K894-A923 CarbonylContact O-C 3.48Å; K894-A923 VanDerWaalsContact O-CA 3.32Å; K894-A923 WeakPolarHBondContact O-CA 3.39Å; V895-A923 HydrophobicContact CG2-CB 4.23Å; A923-A931 WeakPolarHBondContact O-CA 3.45Å; A923-I932 HydrophobicContact CB-CD1 3.7Å; A923-I932 PolarHBondContact O-N 3.43Å; A923-L937 HydrophobicContact CB-CD1 3.85Å; A923-L937 HydrophobicContact CB-CD2 4.31Å
924I94.3Very high92.6Very high0 Ų038.1 Ų38.10%019%0.186CC..EExtended strand (participates in β ladder)trans-109129.9179.1-65.5166.4000108.9I761 G762 L850 A893 K894 V896 Y922 R930I761-I924 HydrophobicContact CG2-CB 3.84Å; I761-I924 HydrophobicContact CG2-CD1 4.15Å; I761-I924 HydrophobicContact CG2-CG2 3.67Å; G762-I924 WeakPolarHBondContact O-CD1 3.19Å; L850-I924 HydrophobicContact CD2-CG2 4.22Å; A893-I924 VanDerWaalsContact CA-O 3.31Å; A893-I924 WeakPolarHBondContact CA-O 3.38Å; K894-I924 PolarHBondContact N-O 2.89Å; K894-I924 PolarHBondContact O-N 2.76Å; V896-I924 HydrophobicContact CG2-CD1 4.39Å; Y922-I924 HydrophobicContact CD2-CD1 4.45Å; Y922-I924 HydrophobicContact CD2-CG1 4.23Å; Y922-I924 HydrophobicContact CE2-CD1 3.93Å; Y922-I924 HydrophobicContact CE2-CG1 4.21Å; I924-R930 WeakPolarHBondContact CA-O 3.32Å
925D92.7Very high92.5Very high13 Ų1334.3 Ų34.37%0.0718%0.176CC..EExtended strand (participates in β ladder)trans-87.5125.1171.9159.740.9000110.3I890 Q927 T928 N929 R930 I932I890-D925 HydrophobicContact CG2-CB 4.11Å; D925-Q927 VanDerWaalsContact C-N 3.26Å; D925-Q927 PolarHBondContact O-N 3.35Å; D925-Q927 WeakPolarHBondContact OD1-CB 3.45Å; D925-Q927 WeakPolarHBondContact OD1-CG 3.23Å; D925-Q927 PolarHBondContact OD1-N 2.8Å; D925-T928 WeakPolarHBondContact OD2-CB 3.27Å; D925-T928 VanDerWaalsContact OD2-CG2 3.24Å; D925-T928 WeakPolarHBondContact OD2-CG2 3.26Å; D925-T928 PolarHBondContact OD2-N 3.35Å; D925-T928 PolarHBondContact OD2-OG1 2.88Å; D925-N929 VanDerWaalsContact O-CA 3.3Å; D925-N929 WeakPolarHBondContact O-CA 3.26Å; D925-N929 PolarHBondContact O-N 2.68Å; D925-R930 PolarHBondContact N-O 3.09Å; D925-R930 PolarHBondContact O-N 3.49Å; D925-I932 HydrophobicContact CB-CD1 4.18Å; D925-I932 HydrophobicContact CB-CG1 3.82Å
926P89.2Confident92.6Very high31 Ų3135.5 Ų35.520%0.20118%0.175CC..THydrogen-bonded Turntrans-66.9-22.817729.4-37.9000113.7F759 I761 G892 N929F759-P926 HydrophobicContact CE1-CB 4.07Å; I761-P926 HydrophobicContact CD1-CB 3.96Å; G892-P926 WeakPolarHBondContact O-CD 3.33Å; G892-P926 WeakPolarHBondContact O-CG 3.16Å; P926-N929 PolarHBondContact O-ND2 2.87Å
927Q88.8Confident92.6Very high140 Ų14033.1 Ų33.165%0.65416%0.164SC*.THydrogen-bonded Turntrans-75-55-176.7-53.5-174.824.600110.5D925 N929D925-Q927 VanDerWaalsContact C-N 3.26Å; D925-Q927 PolarHBondContact O-N 3.35Å; D925-Q927 WeakPolarHBondContact OD1-CB 3.45Å; D925-Q927 WeakPolarHBondContact OD1-CG 3.23Å; D925-Q927 PolarHBondContact OD1-N 2.8Å; Q927-N929 VanDerWaalsContact C-N 3.31Å; Q927-N929 PolarHBondContact O-N 2.93Å; Q927-N929 PolarHBondContact O-ND2 2.86Å; Q927-N929 VanDerWaalsContact O-ND2 3.14Å
928T91.5Very high92.5Very high74 Ų7436.3 Ų36.345%0.45418%0.178SC..THydrogen-bonded Turntrans-79.8-10.1175.862.30000113.9D925 R930D925-T928 WeakPolarHBondContact OD2-CB 3.27Å; D925-T928 VanDerWaalsContact OD2-CG2 3.24Å; D925-T928 WeakPolarHBondContact OD2-CG2 3.26Å; D925-T928 PolarHBondContact OD2-N 3.35Å; D925-T928 PolarHBondContact OD2-OG1 2.88Å; T928-R930 WeakPolarHBondContact O-CG 3.46Å; T928-R930 PolarHBondContact O-N 2.76Å
929N91.9Very high92.4Very high31 Ų3142.7 Ų42.717%0.16621%0.206CC..THydrogen-bonded Turntrans60.419.8-175.3-65.4-108000113.6Y828 L850 S852 D925 P926 Q927Y828-N929 VanDerWaalsContact CB-O 3.32Å; Y828-N929 WeakPolarHBondContact CB-O 3.47Å; Y828-N929 HydrophobicContact CD1-CB 3.89Å; Y828-N929 HydrophobicContact CD2-CB 3.78Å; Y828-N929 HydrophobicContact CE1-CB 4.08Å; Y828-N929 HydrophobicContact CE2-CB 3.96Å; Y828-N929 HydrophobicContact CG-CB 3.75Å; L850-N929 HydrophobicContact CD1-CB 3.99Å; L850-N929 HydrophobicContact CD2-CB 4.17Å; S852-N929 PolarHBondContact OG-O 3.19Å; D925-N929 VanDerWaalsContact O-CA 3.3Å; D925-N929 WeakPolarHBondContact O-CA 3.26Å; D925-N929 PolarHBondContact O-N 2.68Å; P926-N929 PolarHBondContact O-ND2 2.87Å; Q927-N929 VanDerWaalsContact C-N 3.31Å; Q927-N929 PolarHBondContact O-N 2.93Å; Q927-N929 PolarHBondContact O-ND2 2.86Å; Q927-N929 VanDerWaalsContact O-ND2 3.14Å
930R91.3Very high92.3Very high110 Ų11044.1 Ų44.142%0.41521%0.212SC..EExtended strand (participates in β ladder)trans-128164.6-168.6-74.6168.4176.8153.15.3111.5R826 S852 I924 D925 T928R826-R930 HydrophobicContact CB-CG 4.38Å; R826-R930 PolarHBondContact O-NE 3.06Å; S852-R930 WeakPolarHBondContact OG-CA 3.18Å; I924-R930 WeakPolarHBondContact CA-O 3.32Å; D925-R930 PolarHBondContact N-O 3.09Å; D925-R930 PolarHBondContact O-N 3.49Å; T928-R930 WeakPolarHBondContact O-CG 3.46Å; T928-R930 PolarHBondContact O-N 2.76Å
931A92.1Very high92.4Very high1 Ų143.3 Ų43.31%0.00821%0.206CC..EExtended strand (participates in β ladder)trans-64.8134.1166.900000111.7R826 V854 D858 A923R826-A931 PolarHBondContact NH2-O 2.85Å; V854-A931 HydrophobicContact CG1-CB 3.68Å; D858-A931 HydrophobicContact CB-CB 3.96Å; A923-A931 WeakPolarHBondContact O-CA 3.45Å
932I92.7Very high92.2Very high8 Ų846.5 Ų46.54%0.04122%0.224CC..PPolyproline II helixtrans-60150.6169.6-69.7160.3000108.8V886 I890 A893 A923 D925 R934 E936 L937 F940V886-I932 HydrophobicContact CG1-CD1 4.18Å; I890-I932 HydrophobicContact CD1-CD1 3.77Å; I890-I932 HydrophobicContact CD1-CG1 3.79Å; I890-I932 HydrophobicContact CD1-CG2 4.21Å; A893-I932 HydrophobicContact CB-CD1 3.95Å; A923-I932 HydrophobicContact CB-CD1 3.7Å; A923-I932 PolarHBondContact O-N 3.43Å; D925-I932 HydrophobicContact CB-CD1 4.18Å; D925-I932 HydrophobicContact CB-CG1 3.82Å; I932-R934 PolarHBondContact O-N 3.02Å; I932-E936 HydrophobicContact CG2-CB 3.97Å; I932-L937 HydrophobicContact CG2-CB 4.44Å; I932-F940 HydrophobicContact CG2-CE2 3.95Å
933D91Very high92Very high55 Ų5549.5 Ų49.529%0.29426%0.255SS..PPolyproline II helixtrans-66136.4179.9-173.2-90.6000110.8N935 E936 L937D933-N935 PolarHBondContact O-N 2.79Å; D933-N935 WeakPolarHBondContact OD1-CA 3.43Å; D933-N935 VanDerWaalsContact OD1-CB 3.27Å; D933-N935 WeakPolarHBondContact OD1-CB 3.43Å; D933-N935 VanDerWaalsContact OD1-CG 3.31Å; D933-N935 PolarHBondContact OD1-N 2.92Å; D933-N935 PolarHBondContact OD1-ND2 3.47Å; D933-E936 HydrophobicContact CB-CB 4.36Å; D933-E936 HydrophobicContact CB-CG 4.02Å; D933-E936 WeakPolarHBondContact CB-OE2 3.02Å; D933-E936 PolarHBondContact N-OE2 2.74Å; D933-E936 WeakPolarHBondContact O-CA 3.37Å; D933-E936 WeakPolarHBondContact O-CB 3.25Å; D933-E936 PolarHBondContact O-N 3.45Å; D933-L937 PolarHBondContact O-N 2.77Å
934R91.6Very high91.9Very high37 Ų3752.5 Ų52.514%0.1427%0.268CS..Hα-helixtrans-52.8-33-179.5-177.3-170.369.4-121.6-4.5112.9L857 M859 Q860 I932 F938L857-R934 VanDerWaalsContact O-CB 3.32Å; L857-R934 WeakPolarHBondContact O-CB 3.25Å; L857-R934 WeakPolarHBondContact O-CD 3.4Å; L857-R934 PolarHBondContact O-NH1 2.81Å; M859-R934 WeakPolarHBondContact O-CD 3.08Å; M859-R934 WeakPolarHBondContact O-CG 3.48Å; Q860-R934 HydrophobicContact CG-CG 3.9Å; Q860-R934 PolarHBondContact NE2-O 2.91Å; I932-R934 PolarHBondContact O-N 3.02Å; R934-F938 PolarHBondContact O-N 3.5Å
935N90.7Very high91.8Very high74 Ų7454.1 Ų54.140%0.39628%0.276SS..Hα-helixtrans-86.3-14.8-178.3-40-69.1000112.1D933 K939D933-N935 PolarHBondContact O-N 2.79Å; D933-N935 WeakPolarHBondContact OD1-CA 3.43Å; D933-N935 VanDerWaalsContact OD1-CB 3.27Å; D933-N935 WeakPolarHBondContact OD1-CB 3.43Å; D933-N935 VanDerWaalsContact OD1-CG 3.31Å; D933-N935 PolarHBondContact OD1-N 2.92Å; D933-N935 PolarHBondContact OD1-ND2 3.47Å; N935-K939 WeakPolarHBondContact O-CD 3.39Å; N935-K939 WeakPolarHBondContact O-CG 3.42Å
936E92.2Very high91.7Very high87 Ų8759.5 Ų59.541%0.40730%0.304SS..Hα-helixtrans-80.7-48.7166.1-66.1172.9150.900110.2I932 D933 F938 K939 F940I932-E936 HydrophobicContact CG2-CB 3.97Å; D933-E936 HydrophobicContact CB-CB 4.36Å; D933-E936 HydrophobicContact CB-CG 4.02Å; D933-E936 WeakPolarHBondContact CB-OE2 3.02Å; D933-E936 PolarHBondContact N-OE2 2.74Å; D933-E936 WeakPolarHBondContact O-CA 3.37Å; D933-E936 WeakPolarHBondContact O-CB 3.25Å; D933-E936 PolarHBondContact O-N 3.45Å; E936-F938 PolarHBondContact O-N 3.26Å; E936-K939 WeakPolarHBondContact O-CB 3.48Å; E936-K939 PolarHBondContact O-N 3.47Å; E936-F940 HydrophobicContact CB-CE1 4.47Å; E936-F940 HydrophobicContact CB-CE2 4.04Å; E936-F940 HydrophobicContact CB-CZ 3.9Å; E936-F940 WeakPolarHBondContact O-CD1 3.21Å; E936-F940 WeakPolarHBondContact O-CD2 3.48Å; E936-F940 VanDerWaalsContact O-CG 3.23Å; E936-F940 WeakPolarHBondContact O-CG 3.28Å; E936-F940 PolarHBondContact O-N 2.78Å
937L93.7Very high91.9Very high1 Ų160.9 Ų60.91%0.00531%0.31CS..Hα-helixtrans-55.9-35.5173.4-177.160.1000112Q860 V886 A923 I932 D933 L941Q860-L937 HydrophobicContact CB-CD2 4.45Å; Q860-L937 HydrophobicContact CG-CD2 4.35Å; Q860-L937 HydrophobicContact CG-CG 4.39Å; V886-L937 HydrophobicContact CG2-CD1 3.93Å; A923-L937 HydrophobicContact CB-CD1 3.85Å; A923-L937 HydrophobicContact CB-CD2 4.31Å; I932-L937 HydrophobicContact CG2-CB 4.44Å; D933-L937 PolarHBondContact O-N 2.77Å; L937-L941 HydrophobicContact CD1-CD1 3.83Å; L937-L941 HydrophobicContact CD1-CG 4.12Å; L937-L941 HydrophobicContact CG-CD1 4.1Å; L937-L941 WeakPolarHBondContact O-CG 3.42Å; L937-L941 PolarHBondContact O-N 2.92Å
938F93.8Very high92.1Very high67 Ų6754.3 Ų54.329%0.29428%0.279SS..Hα-helixtrans-55.7-57168.8-173.9-98.7000111.9R934 E936 F940 L941 D942 I965R934-F938 PolarHBondContact O-N 3.5Å; E936-F938 PolarHBondContact O-N 3.26Å; F938-F940 VanDerWaalsContact C-N 3.31Å; F938-F940 PolarHBondContact O-N 2.89Å; F938-L941 PolarHBondContact O-N 3.15Å; F938-D942 HydrophobicContact CD1-CB 4.3Å; F938-D942 HydrophobicContact CE1-CB 3.91Å; F938-D942 HydrophobicContact CE2-CB 4.34Å; F938-D942 HydrophobicContact CZ-CB 3.92Å; F938-D942 WeakPolarHBondContact O-CB 3.48Å; F938-D942 PolarHBondContact O-N 3.27Å; F938-I965 HydrophobicContact CD2-CB 4.32Å; F938-I965 HydrophobicContact CD2-CG2 4.01Å; F938-I965 HydrophobicContact CE2-CB 4.07Å; F938-I965 HydrophobicContact CE2-CG2 4.25Å; F938-I965 WeakPolarHBondContact CE2-O 3.42Å
939K92.1Very high92.2Very high143 Ų14351.9 Ų51.962%0.62226%0.264SS*.Hα-helixtrans-60.8-39.4-176.5-68.8166.3-176.7177.40112.2N935 E936 G943N935-K939 WeakPolarHBondContact O-CD 3.39Å; N935-K939 WeakPolarHBondContact O-CG 3.42Å; E936-K939 WeakPolarHBondContact O-CB 3.48Å; E936-K939 PolarHBondContact O-N 3.47Å; K939-G943 WeakPolarHBondContact O-CA 3.37Å; K939-G943 PolarHBondContact O-N 2.79Å
940F93.3Very high92.2Very high31 Ų3156 Ų5614%0.13628%0.28CS..Hα-helixtrans-64.2-42.9-179.9-57.4-23.1000111.9V886 Q889 I890 I932 E936 F938V886-F940 HydrophobicContact CG1-CD2 4.3Å; Q889-F940 HydrophobicContact CB-CD1 3.73Å; Q889-F940 HydrophobicContact CB-CD2 4.13Å; Q889-F940 HydrophobicContact CB-CE1 3.78Å; Q889-F940 HydrophobicContact CB-CE2 4.17Å; Q889-F940 HydrophobicContact CB-CG 3.92Å; Q889-F940 HydrophobicContact CB-CZ 4Å; Q889-F940 HydrophobicContact CG-CB 4.11Å; Q889-F940 HydrophobicContact CG-CD1 3.61Å; Q889-F940 HydrophobicContact CG-CD2 4.49Å; Q889-F940 HydrophobicContact CG-CE1 4.13Å; Q889-F940 HydrophobicContact CG-CG 3.83Å; I890-F940 HydrophobicContact CD1-CE2 3.73Å; I890-F940 HydrophobicContact CD1-CZ 3.95Å; I890-F940 HydrophobicContact CG1-CE2 4.1Å; I890-F940 HydrophobicContact CG1-CZ 4.16Å; I932-F940 HydrophobicContact CG2-CE2 3.95Å; E936-F940 HydrophobicContact CB-CE1 4.47Å; E936-F940 HydrophobicContact CB-CE2 4.04Å; E936-F940 HydrophobicContact CB-CZ 3.9Å; E936-F940 WeakPolarHBondContact O-CD1 3.21Å; E936-F940 WeakPolarHBondContact O-CD2 3.48Å; E936-F940 VanDerWaalsContact O-CG 3.23Å; E936-F940 WeakPolarHBondContact O-CG 3.28Å; E936-F940 PolarHBondContact O-N 2.78Å; F938-F940 VanDerWaalsContact C-N 3.31Å; F938-F940 PolarHBondContact O-N 2.89Å
941L94.2Very high92.4Very high3 Ų353.1 Ų53.12%0.01627%0.273CS..Hα-helixtrans-84.3-42.6-177.4-61.9177000112.7I862 L882 V886 V921 L937 F938 K944 L945 I948 I965I862-L941 HydrophobicContact CD1-CD1 4.14Å; L882-L941 HydrophobicContact CD2-CD2 3.81Å; V886-L941 HydrophobicContact CG2-CD2 3.97Å; V921-L941 HydrophobicContact CG2-CD1 4.4Å; L937-L941 HydrophobicContact CD1-CD1 3.83Å; L937-L941 HydrophobicContact CD1-CG 4.12Å; L937-L941 HydrophobicContact CG-CD1 4.1Å; L937-L941 WeakPolarHBondContact O-CG 3.42Å; L937-L941 PolarHBondContact O-N 2.92Å; F938-L941 PolarHBondContact O-N 3.15Å; L941-K944 CarbonylContact O-C 3.49Å; L941-K944 PolarHBondContact O-N 3.34Å; L941-L945 WeakPolarHBondContact O-CA 3.34Å; L941-L945 PolarHBondContact O-N 2.83Å; L941-I948 HydrophobicContact CB-CD1 4.35Å; L941-I948 HydrophobicContact CD2-CD1 3.98Å; L941-I948 WeakPolarHBondContact O-CD1 3.46Å; L941-I965 HydrophobicContact CB-CD1 3.4Å; L941-I965 HydrophobicContact CD1-CD1 4.41Å
942D91.9Very high92.5Very high68 Ų6853.1 Ų53.136%0.36427%0.273SS..Hα-helixtrans-68.6-41.2178.6-166.658000111.1F938 K944 L945F938-D942 HydrophobicContact CD1-CB 4.3Å; F938-D942 HydrophobicContact CE1-CB 3.91Å; F938-D942 HydrophobicContact CE2-CB 4.34Å; F938-D942 HydrophobicContact CZ-CB 3.92Å; F938-D942 WeakPolarHBondContact O-CB 3.48Å; F938-D942 PolarHBondContact O-N 3.27Å; D942-K944 PolarHBondContact O-N 3.39Å; D942-L945 WeakPolarHBondContact O-CB 3.26Å; D942-L945 PolarHBondContact O-N 3.21Å; D942-L945 VanDerWaalsContact O-N 3.15Å
943G89.2Confident92.4Very high65 Ų6556.4 Ų56.467%0.6729%0.288SS*.THydrogen-bonded Turntrans-64.5-18176.200000114.9K939K939-G943 WeakPolarHBondContact O-CA 3.37Å; K939-G943 PolarHBondContact O-N 2.79Å
944K91.9Very high92.4Very high63 Ų6358.9 Ų58.927%0.27431%0.307SS..THydrogen-bonded Turntrans-119.716.2173.9-67.3-162.2172.8-1650113.7Y885 E888 L941 D942 L946 D947 I948Y885-K944 HydrophobicContact CD1-CB 4.16Å; Y885-K944 HydrophobicContact CD1-CD 3.63Å; Y885-K944 HydrophobicContact CE1-CB 4.42Å; Y885-K944 HydrophobicContact CE1-CD 4.04Å; E888-K944 IonicContact OE1-NZ 2.85Å; E888-K944 IonicContact OE2-NZ 3.78Å; E888-K944 PolarHBondContact OE2-NZ 3.27Å; L941-K944 CarbonylContact O-C 3.49Å; L941-K944 PolarHBondContact O-N 3.34Å; D942-K944 PolarHBondContact O-N 3.39Å; K944-L946 PolarHBondContact O-N 3.23Å; K944-L946 VanDerWaalsContact O-N 3.07Å; K944-D947 PolarHBondContact O-N 2.82Å; K944-I948 HydrophobicContact CB-CD1 4.22Å; K944-I948 HydrophobicContact CB-CG1 4.47Å; K944-I948 WeakPolarHBondContact O-CG1 3.21Å; K944-I948 PolarHBondContact O-N 3.16Å
945L92.3Very high92.5Very high34 Ų3460.3 Ų60.318%0.17831%0.313CS..Hα-helixtrans-54.5-34.3-174.8-175.161.8000113.4L941 D942 N949 I962 I965L941-L945 WeakPolarHBondContact O-CA 3.34Å; L941-L945 PolarHBondContact O-N 2.83Å; D942-L945 WeakPolarHBondContact O-CB 3.26Å; D942-L945 PolarHBondContact O-N 3.21Å; D942-L945 VanDerWaalsContact O-N 3.15Å; L945-N949 WeakPolarHBondContact O-CB 3.4Å; L945-N949 PolarHBondContact O-N 3.41Å; L945-N949 PolarHBondContact O-ND2 3.31Å; L945-I962 HydrophobicContact CD1-CB 3.81Å; L945-I962 HydrophobicContact CD1-CD1 4.06Å; L945-I962 HydrophobicContact CD1-CG2 3.63Å; L945-I965 HydrophobicContact CD1-CD1 4.49Å
946L90.4Very high92.6Very high126 Ų12657.2 Ų57.266%0.6630%0.296SS*.Hα-helixtrans-73-27.9-179.6-172.1142.6000113.1K944K944-L946 PolarHBondContact O-N 3.23Å; K944-L946 VanDerWaalsContact O-N 3.07Å
947D92.8Very high92.3Very high61 Ų6154.9 Ų54.933%0.32630%0.295SS..Hα-helixtrans-89.1-41.7177.9-63.2-47.5000111.3Y885 K944 N949 K950 D951Y885-D947 HydrophobicContact CE1-CB 4.13Å; Y885-D947 WeakPolarHBondContact OH-CB 3.15Å; Y885-D947 PolarHBondContact OH-O 3.29Å; K944-D947 PolarHBondContact O-N 2.82Å; D947-N949 PolarHBondContact O-N 2.76Å; D947-N949 VanDerWaalsContact O-N 3.16Å; D947-K950 WeakPolarHBondContact O-CA 3.07Å; D947-K950 WeakPolarHBondContact O-CB 3.35Å; D947-K950 PolarHBondContact O-N 2.9Å; D947-K950 WeakPolarHBondContact OD1-CE 3.12Å; D947-K950 IonicContact OD1-NZ 3.12Å; D947-K950 PolarHBondContact OD1-NZ 2.88Å; D947-D951 PolarHBondContact O-N 3.34Å; D947-D951 VanDerWaalsContact O-N 3.13Å
948I94.3Very high91.7Very high1 Ų164.5 Ų64.51%0.00534%0.34CS..Hα-helixtrans-51.6-40.7170.1-64.6161.9000110.6L882 Y885 L941 K944 K950 D951 F952 I962L882-I948 HydrophobicContact CD2-CG2 4.28Å; Y885-I948 HydrophobicContact CD1-CG1 4.23Å; Y885-I948 HydrophobicContact CD2-CB 4.39Å; Y885-I948 HydrophobicContact CD2-CD1 4.38Å; Y885-I948 HydrophobicContact CD2-CG1 3.4Å; Y885-I948 HydrophobicContact CE1-CG1 4.39Å; Y885-I948 HydrophobicContact CE2-CB 4.21Å; Y885-I948 HydrophobicContact CE2-CG1 3.58Å; Y885-I948 HydrophobicContact CG-CD1 4.35Å; Y885-I948 HydrophobicContact CG-CG1 3.73Å; L941-I948 HydrophobicContact CB-CD1 4.35Å; L941-I948 HydrophobicContact CD2-CD1 3.98Å; L941-I948 WeakPolarHBondContact O-CD1 3.46Å; K944-I948 HydrophobicContact CB-CD1 4.22Å; K944-I948 HydrophobicContact CB-CG1 4.47Å; K944-I948 WeakPolarHBondContact O-CG1 3.21Å; K944-I948 PolarHBondContact O-N 3.16Å; I948-K950 PolarHBondContact O-N 2.78Å; I948-D951 PolarHBondContact O-N 3.23Å; I948-F952 HydrophobicContact CG2-CD1 3.96Å; I948-F952 HydrophobicContact CG2-CD2 4.47Å; I948-F952 HydrophobicContact CG2-CE1 3.83Å; I948-F952 HydrophobicContact CG2-CE2 4.37Å; I948-F952 HydrophobicContact CG2-CG 4.31Å; I948-F952 HydrophobicContact CG2-CZ 4.05Å; I948-F952 WeakPolarHBondContact O-CB 3.49Å; I948-F952 WeakPolarHBondContact O-CD1 3.37Å; I948-F952 WeakPolarHBondContact O-CG 3.38Å; I948-F952 PolarHBondContact O-N 3Å; I948-I962 HydrophobicContact CG2-CD1 3.61Å
949N93.8Very high91.2Very high24 Ų2464 Ų6413%0.12835%0.354CS..Hα-helixtrans-66-29.9176.7-87.3-55.7000114.5L945 D947 Q953 R961 I962L945-N949 WeakPolarHBondContact O-CB 3.4Å; L945-N949 PolarHBondContact O-N 3.41Å; L945-N949 PolarHBondContact O-ND2 3.31Å; D947-N949 PolarHBondContact O-N 2.76Å; D947-N949 VanDerWaalsContact O-N 3.16Å; N949-Q953 PolarHBondContact O-N 3.18Å; N949-R961 VanDerWaalsContact OD1-CA 3.24Å; N949-R961 WeakPolarHBondContact OD1-CA 3.4Å; N949-R961 WeakPolarHBondContact OD1-CB 3.35Å; N949-I962 PolarHBondContact OD1-N 2.67Å
950K92Very high91Very high116 Ų11657.4 Ų57.450%0.50433%0.326SS..Hα-helixtrans-69.4-47.1173.4-62.7166.5-170.3165.20110D947 I948 F952 Q953D947-K950 WeakPolarHBondContact O-CA 3.07Å; D947-K950 WeakPolarHBondContact O-CB 3.35Å; D947-K950 PolarHBondContact O-N 2.9Å; D947-K950 WeakPolarHBondContact OD1-CE 3.12Å; D947-K950 IonicContact OD1-NZ 3.12Å; D947-K950 PolarHBondContact OD1-NZ 2.88Å; I948-K950 PolarHBondContact O-N 2.78Å; K950-F952 VanDerWaalsContact C-N 3.29Å; K950-F952 PolarHBondContact O-N 3.43Å; K950-Q953 WeakPolarHBondContact O-CB 3.2Å; K950-Q953 PolarHBondContact O-N 2.98Å; K950-Q953 VanDerWaalsContact O-N 3.11Å
951D93.7Very high91Very high50 Ų5062.6 Ų62.627%0.26735%0.345SS..Hα-helixtrans-68.6-29.1-179-74.14.1000112.2I881 R884 Y885 D947 I948 P954 Y955I881-D951 HydrophobicContact CD1-CB 4.32Å; I881-D951 WeakPolarHBondContact CD1-O 3.08Å; I881-D951 HydrophobicContact CG2-CB 3.72Å; R884-D951 IonicContact CZ-OD2 2.67Å; R884-D951 IonicContact NE-OD2 3.06Å; R884-D951 IonicContact NH2-OD2 3.27Å; R884-D951 PolarHBondContact NH2-OD2 2.57Å; Y885-D951 HydrophobicContact CE2-CB 4.38Å; Y885-D951 PolarHBondContact OH-OD2 2.93Å; Y885-D951 VanDerWaalsContact OH-OD2 3.06Å; D947-D951 PolarHBondContact O-N 3.34Å; D947-D951 VanDerWaalsContact O-N 3.13Å; I948-D951 PolarHBondContact O-N 3.23Å; D951-P954 WeakPolarHBondContact O-CD 3.38Å; D951-Y955 WeakPolarHBondContact O-CD2 3.33Å
952F94.3Very high91Very high1 Ų162.7 Ų62.70%0.00435%0.345CS..Hα-helixtrans-75.7-22172.3-83.527.4000113.2L878 I881 L882 I948 K950 P954 Y955 Y956 I962L878-F952 HydrophobicContact CB-CE1 4.49Å; L878-F952 HydrophobicContact CB-CZ 4.31Å; L878-F952 HydrophobicContact CD2-CB 4.48Å; L878-F952 HydrophobicContact CD2-CD1 3.73Å; L878-F952 HydrophobicContact CD2-CD2 3.88Å; L878-F952 HydrophobicContact CD2-CE1 3.78Å; L878-F952 HydrophobicContact CD2-CE2 3.93Å; L878-F952 HydrophobicContact CD2-CG 3.77Å; L878-F952 HydrophobicContact CD2-CZ 3.87Å; I881-F952 HydrophobicContact CB-CD1 4.35Å; I881-F952 HydrophobicContact CB-CE1 3.96Å; I881-F952 HydrophobicContact CD1-CD1 4.05Å; I881-F952 HydrophobicContact CD1-CE1 4.33Å; I881-F952 HydrophobicContact CG2-CD1 3.89Å; I881-F952 HydrophobicContact CG2-CE1 3.71Å; L882-F952 HydrophobicContact CD1-CZ 4.17Å; L882-F952 HydrophobicContact CD2-CE1 4.35Å; L882-F952 HydrophobicContact CD2-CZ 3.93Å; L882-F952 HydrophobicContact CG-CE1 4.25Å; L882-F952 HydrophobicContact CG-CZ 3.89Å; I948-F952 HydrophobicContact CG2-CD1 3.96Å; I948-F952 HydrophobicContact CG2-CD2 4.47Å; I948-F952 HydrophobicContact CG2-CE1 3.83Å; I948-F952 HydrophobicContact CG2-CE2 4.37Å; I948-F952 HydrophobicContact CG2-CG 4.31Å; I948-F952 HydrophobicContact CG2-CZ 4.05Å; I948-F952 WeakPolarHBondContact O-CB 3.49Å; I948-F952 WeakPolarHBondContact O-CD1 3.37Å; I948-F952 WeakPolarHBondContact O-CG 3.38Å; I948-F952 PolarHBondContact O-N 3Å; K950-F952 VanDerWaalsContact C-N 3.29Å; K950-F952 PolarHBondContact O-N 3.43Å; F952-P954 VanDerWaalsContact C-CD 3.45Å; F952-Y955 PolarHBondContact O-N 3.19Å; F952-Y956 HydrophobicContact CB-CD2 4.3Å; F952-Y956 HydrophobicContact CB-CG 4.39Å; F952-Y956 HydrophobicContact CD2-CD1 4.5Å; F952-Y956 HydrophobicContact CD2-CD2 4.19Å; F952-Y956 AromaticContact CD2-CE1 3.96Å; F952-Y956 HydrophobicContact CD2-CE1 3.96Å; F952-Y956 AromaticContact CD2-CE2 3.63Å; F952-Y956 HydrophobicContact CD2-CE2 3.63Å; F952-Y956 AromaticContact CD2-CZ 3.51Å; F952-Y956 HydrophobicContact CE2-CE1 4.4Å; F952-Y956 HydrophobicContact CE2-CE2 4.34Å; F952-Y956 AromaticContact CE2-CZ 3.88Å; F952-Y956 WeakPolarHBondContact O-CB 3.45Å; F952-Y956 PolarHBondContact O-N 2.94Å; F952-I962 HydrophobicContact CD2-CD1 4.03Å; F952-I962 HydrophobicContact CD2-CG1 4.08Å; F952-I962 HydrophobicContact CE2-CD1 3.83Å; F952-I962 HydrophobicContact CE2-CG1 4.13Å
953Q90.6Very high91.1Very high78 Ų7862.5 Ų62.536%0.36434%0.344SS..Hα-helixtrans-54.8-40.9-173.2-157.576.980.900114.4N949 K950 Y955 G957 G960N949-Q953 PolarHBondContact O-N 3.18Å; K950-Q953 WeakPolarHBondContact O-CB 3.2Å; K950-Q953 PolarHBondContact O-N 2.98Å; K950-Q953 VanDerWaalsContact O-N 3.11Å; Q953-Y955 PolarHBondContact O-N 3.3Å; Q953-G957 PolarHBondContact NE2-O 2.72Å; Q953-G957 PolarHBondContact O-N 2.84Å; Q953-G960 PolarHBondContact NE2-O 2.8Å
954P92.3Very high91.2Very high106 Ų10663 Ų6369%0.68833%0.329SS*.Hα-helixtrans-65-23.2176.4-21.434.6000114.2D951 F952D951-P954 WeakPolarHBondContact O-CD 3.38Å; F952-P954 VanDerWaalsContact C-CD 3.45Å
955Y93.1Very high91.2Very high68 Ų6860.8 Ų60.827%0.26732%0.32SS..Hα-helixtrans-98.3-31.1-176.4-56.2-86.1000112.2K874 D877 L878 I881 D951 F952 Q953K874-Y955 HydrophobicContact CB-CD1 4.46Å; K874-Y955 HydrophobicContact CD-CD1 4.03Å; K874-Y955 HydrophobicContact CG-CD1 4.26Å; D877-Y955 HydrophobicContact CB-CD1 3.74Å; D877-Y955 HydrophobicContact CB-CE1 3.3Å; D877-Y955 WeakPolarHBondContact OD2-CE1 3.3Å; L878-Y955 HydrophobicContact CD2-CG 4.29Å; I881-Y955 HydrophobicContact CD1-CD2 3.97Å; I881-Y955 HydrophobicContact CD1-CE2 3.65Å; D951-Y955 WeakPolarHBondContact O-CD2 3.33Å; F952-Y955 PolarHBondContact O-N 3.19Å; Q953-Y955 PolarHBondContact O-N 3.3Å
956Y92Very high91.1Very high9 Ų960.1 Ų60.14%0.03532%0.315CS..Hα-helixtrans-90.7-18.6179.2-82.515.5000113.8S864 V866 V871 L878 F952 I962S864-Y956 WeakPolarHBondContact CB-OH 3.2Å; S864-Y956 WeakPolarHBondContact OG-CE2 3.43Å; S864-Y956 PolarHBondContact OG-OH 3.19Å; V866-Y956 HydrophobicContact CG1-CD2 4.13Å; V866-Y956 HydrophobicContact CG1-CG 4.04Å; V866-Y956 HydrophobicContact CG2-CD1 3.95Å; V866-Y956 HydrophobicContact CG2-CD2 3.98Å; V866-Y956 HydrophobicContact CG2-CE1 3.83Å; V866-Y956 HydrophobicContact CG2-CE2 3.86Å; V866-Y956 HydrophobicContact CG2-CG 4.01Å; V871-Y956 HydrophobicContact CG2-CE1 4.06Å; L878-Y956 HydrophobicContact CD1-CE1 3.81Å; L878-Y956 HydrophobicContact CD2-CD1 4.3Å; L878-Y956 HydrophobicContact CD2-CE1 3.94Å; F952-Y956 HydrophobicContact CB-CD2 4.3Å; F952-Y956 HydrophobicContact CB-CG 4.39Å; F952-Y956 HydrophobicContact CD2-CD1 4.5Å; F952-Y956 HydrophobicContact CD2-CD2 4.19Å; F952-Y956 AromaticContact CD2-CE1 3.96Å; F952-Y956 HydrophobicContact CD2-CE1 3.96Å; F952-Y956 AromaticContact CD2-CE2 3.63Å; F952-Y956 HydrophobicContact CD2-CE2 3.63Å; F952-Y956 AromaticContact CD2-CZ 3.51Å; F952-Y956 HydrophobicContact CE2-CE1 4.4Å; F952-Y956 HydrophobicContact CE2-CE2 4.34Å; F952-Y956 AromaticContact CE2-CZ 3.88Å; F952-Y956 WeakPolarHBondContact O-CB 3.45Å; F952-Y956 PolarHBondContact O-N 2.94Å; Y956-I962 HydrophobicContact CE2-CG1 4.46Å
957G86.1Confident91Very high37 Ų3756.3 Ų56.338%0.38130%0.297SS..  trans79.1-179.2-177.900000113.7Q953 G959 G960Q953-G957 PolarHBondContact NE2-O 2.72Å; Q953-G957 PolarHBondContact O-N 2.84Å; G957-G959 PolarHBondContact O-N 2.79Å; G957-G960 PolarHBondContact O-N 2.82Å; G957-G960 VanDerWaalsContact O-N 3.15Å
958E82.4Confident90.7Very high204 Ų20453.7 Ų53.795%0.95328%0.283SS*.THydrogen-bonded Turntrans-60.3125.8-175.3-67.3-169.2164.300112.8G960E958-G960 PolarHBondContact O-N 2.93Å; E958-G960 VanDerWaalsContact O-N 3.17Å
959G81.8Confident89.8Confident57 Ų5756 Ų5659%0.58829%0.294SS*.THydrogen-bonded Turntrans73.5-3.6-179.700000115N865 G957N865-G959 PolarHBondContact ND2-O 3.5Å; G957-G959 PolarHBondContact O-N 2.79Å
960G89.4Confident88.7Confident4 Ų456.7 Ų56.74%0.04130%0.303CS..  trans-69.3134.317000000111.3N865 Q953 G957 E958N865-G960 VanDerWaalsContact OD1-CA 3.28Å; N865-G960 WeakPolarHBondContact OD1-CA 3.49Å; Q953-G960 PolarHBondContact NE2-O 2.8Å; G957-G960 PolarHBondContact O-N 2.82Å; G957-G960 VanDerWaalsContact O-N 3.15Å; E958-G960 PolarHBondContact O-N 2.93Å; E958-G960 VanDerWaalsContact O-N 3.17Å
961R92.9Very high87.6Confident139 Ų13952.4 Ų52.453%0.52529%0.286SS..  trans-165.7158.1-177.460.1-180-173.4157.59.3112.8S864 N865 N949S864-R961 WeakPolarHBondContact CA-O 3.18Å; N865-R961 PolarHBondContact N-O 2.85Å; N865-R961 PolarHBondContact OD1-N 3.46Å; N865-R961 PolarHBondContact OD1-O 2.9Å; N949-R961 VanDerWaalsContact OD1-CA 3.24Å; N949-R961 WeakPolarHBondContact OD1-CA 3.4Å; N949-R961 WeakPolarHBondContact OD1-CB 3.35Å
962I94.8Very high86.1Confident6 Ų651.8 Ų51.83%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-64.9135159.3-53.6169.4000108.2I862 V863 L945 I948 N949 F952 Y956 I965I862-I962 HydrophobicContact CG2-CB 4.33Å; I862-I962 HydrophobicContact CG2-CD1 3.74Å; I862-I962 HydrophobicContact CG2-CG1 3.74Å; I862-I962 HydrophobicContact CG2-CG2 3.65Å; V863-I962 CarbonylContact O-C 3.56Å; V863-I962 WeakPolarHBondContact O-CG2 3.33Å; L945-I962 HydrophobicContact CD1-CB 3.81Å; L945-I962 HydrophobicContact CD1-CD1 4.06Å; L945-I962 HydrophobicContact CD1-CG2 3.63Å; I948-I962 HydrophobicContact CG2-CD1 3.61Å; N949-I962 PolarHBondContact OD1-N 2.67Å; F952-I962 HydrophobicContact CD2-CD1 4.03Å; F952-I962 HydrophobicContact CD2-CG1 4.08Å; F952-I962 HydrophobicContact CE2-CD1 3.83Å; F952-I962 HydrophobicContact CE2-CG1 4.13Å; Y956-I962 HydrophobicContact CE2-CG1 4.46Å; I962-I965 HydrophobicContact CG2-CG1 4.44Å
963L92Very high84.2Confident64 Ų6454.8 Ų54.834%0.33531%0.306SS..EExtended strand (participates in β ladder)trans-94.6-44.4178.3-66.6176.7000112.2V863 N865 K916V863-L963 PolarHBondContact O-N 3.14Å; N865-L963 HydrophobicContact CB-CD1 3.97Å; N865-L963 HydrophobicContact CB-CD2 4.04Å; N865-L963 HydrophobicContact CB-CG 4Å; K916-L963 HydrophobicContact CD-CD1 4.27Å
964E92.2Very high82.4Confident76 Ų7656.8 Ų56.836%0.35532%0.318SS..EExtended strand (participates in β ladder)trans-161.4162.8-175.261.3-170.1166.100109.3V863 R903V863-E964 HydrophobicContact CB-CG 3.59Å; V863-E964 WeakPolarHBondContact CB-O 3.35Å; V863-E964 HydrophobicContact CG1-CG 4.09Å; V863-E964 HydrophobicContact CG2-CG 3.62Å; V863-E964 PolarHBondContact N-O 3.07Å; R903-E964 IonicContact CZ-OE1 3.6Å; R903-E964 IonicContact NE-OE1 2.65Å; R903-E964 IonicContact NH2-OE1 2.63Å; R903-E964 PolarHBondContact NH2-OE1 3.19Å
965I92.7Very high80.1Confident15 Ų1557.9 Ų57.98%0.07731%0.312CS..EExtended strand (participates in β ladder)trans-116.9132.2166-57.1-179.3000106.7Q860 V861 I862 F938 L941 L945 I962Q860-I965 HydrophobicContact CB-CG2 4.13Å; Q860-I965 HydrophobicContact CG-CG2 4.38Å; V861-I965 WeakPolarHBondContact O-CA 3.23Å; I862-I965 HydrophobicContact CG1-CG1 4.46Å; F938-I965 HydrophobicContact CD2-CB 4.32Å; F938-I965 HydrophobicContact CD2-CG2 4.01Å; F938-I965 HydrophobicContact CE2-CB 4.07Å; F938-I965 HydrophobicContact CE2-CG2 4.25Å; F938-I965 WeakPolarHBondContact CE2-O 3.42Å; L941-I965 HydrophobicContact CB-CD1 3.4Å; L941-I965 HydrophobicContact CD1-CD1 4.41Å; L945-I965 HydrophobicContact CD1-CD1 4.49Å; I962-I965 HydrophobicContact CG2-CG1 4.44Å
966R90Very high77.8Confident21 Ų2161.8 Ų61.88%0.07933%0.33CS..EExtended strand (participates in β ladder)trans-134.5148-174.270.1-175.5-175.599.6-3.5112.3Q860 V861 V863 R904 Y909 D918 E969Q860-R966 VanDerWaalsContact OE1-C 3.24Å; Q860-R966 PolarHBondContact OE1-O 3.2Å; V861-R966 HydrophobicContact CB-CG 3.88Å; V861-R966 WeakPolarHBondContact CB-O 2.9Å; V861-R966 HydrophobicContact CG1-CG 4.29Å; V861-R966 PolarHBondContact N-O 2.7Å; V861-R966 PolarHBondContact O-N 3.1Å; V863-R966 HydrophobicContact CG2-CG 3.8Å; R904-R966 PolarHBondContact O-NH2 3.31Å; Y909-R966 VanDerWaalsContact CZ-NH1 3.31Å; D918-R966 IonicContact OD1-NE 3.14Å; D918-R966 IonicContact OD1-NH2 3.65Å; D918-R966 IonicContact OD2-CZ 3.79Å; D918-R966 IonicContact OD2-NH2 3.1Å; D918-R966 PolarHBondContact OD2-NH2 3.04Å; R966-E969 IonicContact CZ-OE1 3.88Å; R966-E969 VanDerWaalsContact CZ-OE1 3.3Å; R966-E969 VanDerWaalsContact NH1-CG 3.33Å; R966-E969 IonicContact NH1-OE1 2.68Å; R966-E969 PolarHBondContact NH1-OE1 2.93Å; R966-E969 IonicContact NH2-OE1 2.8Å; R966-E969 PolarHBondContact NH2-OE1 2.95Å
967T88.8Confident75.4Confident45 Ų4570.7 Ų70.728%0.27636%0.364SS..  trans-71.2146.6175.3510000111.3
968P84.9Confident73.3Confident7 Ų772 Ų725%0.04538%0.377CS..  trans-60.6149.1-177.6-25.434.1000114Q856 M859 V861 A970 V971 T972Q856-P968 HydrophobicContact CB-CB 4.25Å; M859-P968 HydrophobicContact CB-CG 4.04Å; M859-P968 WeakPolarHBondContact O-CD 3.5Å; M859-P968 VanDerWaalsContact O-CG 3.26Å; M859-P968 WeakPolarHBondContact O-CG 3.43Å; V861-P968 HydrophobicContact CG2-CB 4.45Å; V861-P968 HydrophobicContact CG2-CG 4.17Å; P968-A970 PolarHBondContact O-N 3.4Å; P968-V971 HydrophobicContact CB-CG2 4.25Å; P968-V971 VanDerWaalsContact O-CB 3.29Å; P968-V971 WeakPolarHBondContact O-CB 3.14Å; P968-V971 PolarHBondContact O-N 3.46Å; P968-T972 PolarHBondContact O-N 2.7Å
969E76.3Confident71.6Confident49 Ų4968.5 Ų68.523%0.22936%0.361CS..Hα-helixtrans-64.4-41.3-163.2-57.8178.9170.300112.8R904 Y909 R966 V971 T972 S973R904-E969 WeakPolarHBondContact CB-OE1 3.26Å; R904-E969 WeakPolarHBondContact CD-OE1 3.44Å; R904-E969 VanDerWaalsContact CD-OE2 3.24Å; R904-E969 WeakPolarHBondContact CD-OE2 3.48Å; Y909-E969 VanDerWaalsContact CB-OE1 3.23Å; Y909-E969 WeakPolarHBondContact CB-OE1 3.24Å; Y909-E969 WeakPolarHBondContact CB-OE2 3.49Å; Y909-E969 HydrophobicContact CD1-CG 4.49Å; Y909-E969 HydrophobicContact CD2-CB 3.92Å; Y909-E969 HydrophobicContact CD2-CG 3.53Å; Y909-E969 HydrophobicContact CE2-CB 4.36Å; Y909-E969 HydrophobicContact CE2-CG 3.93Å; Y909-E969 VanDerWaalsContact CG-CD 3.5Å; Y909-E969 HydrophobicContact CG-CG 3.83Å; Y909-E969 VanDerWaalsContact CG-OE1 3.3Å; R966-E969 IonicContact CZ-OE1 3.88Å; R966-E969 VanDerWaalsContact CZ-OE1 3.3Å; R966-E969 VanDerWaalsContact NH1-CG 3.33Å; R966-E969 IonicContact NH1-OE1 2.68Å; R966-E969 PolarHBondContact NH1-OE1 2.93Å; R966-E969 IonicContact NH2-OE1 2.8Å; R966-E969 PolarHBondContact NH2-OE1 2.95Å; E969-V971 PolarHBondContact O-N 2.82Å; E969-T972 PolarHBondContact O-N 3.41Å; E969-T972 VanDerWaalsContact O-N 3.08Å; E969-T972 PolarHBondContact O-OG1 3.25Å; E969-S973 PolarHBondContact O-N 3.07Å; E969-S973 PolarHBondContact O-OG 3.03Å
970A69.6Low69.7Low39 Ų3969.6 Ų69.632%0.32236%0.359SS..Hα-helixtrans-60.5-32.8175.800000112.7P968 S973 I974P968-A970 PolarHBondContact O-N 3.4Å; A970-S973 WeakPolarHBondContact CA-OG 3.01Å; A970-S973 PolarHBondContact O-N 3.24Å; A970-S973 PolarHBondContact O-OG 2.95Å; A970-I974 WeakPolarHBondContact O-CB 3.11Å; A970-I974 WeakPolarHBondContact O-CD1 3.42Å; A970-I974 WeakPolarHBondContact O-CG1 3.48Å; A970-I974 PolarHBondContact O-N 2.94Å
971V70Confident67.6Low25 Ų2573.4 Ų73.415%0.15238%0.378CS..Hα-helixtrans-66.7-43.9175-169.60000109.9Q856 L857 P968 E969 K975Q856-V971 VanDerWaalsContact O-CG2 3.28Å; Q856-V971 WeakPolarHBondContact O-CG2 3.29Å; L857-V971 HydrophobicContact CD2-CG1 4.32Å; L857-V971 HydrophobicContact CD2-CG2 4.2Å; P968-V971 HydrophobicContact CB-CG2 4.25Å; P968-V971 VanDerWaalsContact O-CB 3.29Å; P968-V971 WeakPolarHBondContact O-CB 3.14Å; P968-V971 PolarHBondContact O-N 3.46Å; E969-V971 PolarHBondContact O-N 2.82Å; V971-K975 PolarHBondContact O-N 2.59Å; V971-K975 VanDerWaalsContact O-N 3.16Å
972T61.9Low65.3Low38 Ų3868.3 Ų68.323%0.23337%0.369CS..Hα-helixtrans-68.9-34178.672.60000112.7P968 E969 K975 K976P968-T972 PolarHBondContact O-N 2.7Å; E969-T972 PolarHBondContact O-N 3.41Å; E969-T972 VanDerWaalsContact O-N 3.08Å; E969-T972 PolarHBondContact O-OG1 3.25Å; T972-K975 PolarHBondContact O-N 2.95Å; T972-K976 WeakPolarHBondContact O-CB 3.25Å; T972-K976 PolarHBondContact O-N 2.84Å
973S54.2Low63.5Low63 Ų6378.9 Ų78.944%0.44141%0.41SS..Hα-helixtrans-77.6-30.1179.171.70000112.8E969 A970 R977E969-S973 PolarHBondContact O-N 3.07Å; E969-S973 PolarHBondContact O-OG 3.03Å; A970-S973 WeakPolarHBondContact CA-OG 3.01Å; A970-S973 PolarHBondContact O-N 3.24Å; A970-S973 PolarHBondContact O-OG 2.95Å; S973-R977 WeakPolarHBondContact O-CB 3.3Å; S973-R977 PolarHBondContact O-N 3.38Å
974I52.8Low62Low120 Ų12081 Ų8162%0.61543%0.426SS*.Hα-helixtrans-62.5-47.6166.6-70.3163.7000110A970 R977 G978A970-I974 WeakPolarHBondContact O-CB 3.11Å; A970-I974 WeakPolarHBondContact O-CD1 3.42Å; A970-I974 WeakPolarHBondContact O-CG1 3.48Å; A970-I974 PolarHBondContact O-N 2.94Å; I974-R977 PolarHBondContact O-N 2.82Å; I974-G978 PolarHBondContact O-N 2.85Å
975K45.2Very low60.6Low130 Ų13082.6 Ų82.657%0.56543%0.433SS*.Hα-helixtrans-64-46.7178.7-157.4-179-170.6-103.20111.7V971 T972 R977 G978 E979V971-K975 PolarHBondContact O-N 2.59Å; V971-K975 VanDerWaalsContact O-N 3.16Å; T972-K975 PolarHBondContact O-N 2.95Å; K975-R977 VanDerWaalsContact C-N 3.35Å; K975-R977 PolarHBondContact O-N 2.82Å; K975-G978 WeakPolarHBondContact O-CA 3.35Å; K975-G978 PolarHBondContact O-N 3.09Å; K975-E979 VanDerWaalsContact CE-OE1 3.29Å; K975-E979 WeakPolarHBondContact CE-OE1 3.19Å; K975-E979 IonicContact NZ-OE1 3.89Å; K975-E979 PolarHBondContact NZ-OE1 3.34Å; K975-E979 IonicContact NZ-OE2 3.63Å; K975-E979 PolarHBondContact O-N 3.16Å
976K44.5Very low59.5Low149 Ų14983.3 Ų83.365%0.64845%0.445SS*.Hα-helixtrans-62.4-35.7174.9-80-170.3172-175.10112.8T972 G978 E979 S980T972-K976 WeakPolarHBondContact O-CB 3.25Å; T972-K976 PolarHBondContact O-N 2.84Å; K976-G978 VanDerWaalsContact C-N 3.31Å; K976-G978 PolarHBondContact O-N 2.84Å; K976-E979 CarbonylContact O-C 3.59Å; K976-E979 PolarHBondContact O-N 2.56Å; K976-S980 WeakPolarHBondContact O-CA 3.38Å; K976-S980 VanDerWaalsContact O-CB 3.23Å; K976-S980 WeakPolarHBondContact O-CB 3.16Å; K976-S980 PolarHBondContact O-N 2.92Å; K976-S980 PolarHBondContact O-OG 2.81Å
977R40.8Very low58.6Low197 Ų19785 Ų8574%0.74346%0.464SS*.Hα-helixtrans-68-27.9172-85.5-175167.2173.9-2.4113.4S973 I974 K975 L981S973-R977 WeakPolarHBondContact O-CB 3.3Å; S973-R977 PolarHBondContact O-N 3.38Å; I974-R977 PolarHBondContact O-N 2.82Å; K975-R977 VanDerWaalsContact C-N 3.35Å; K975-R977 PolarHBondContact O-N 2.82Å; R977-L981 VanDerWaalsContact O-CD1 3.23Å; R977-L981 WeakPolarHBondContact O-CD1 3.09Å
978G42.9Very low58Low65 Ų6588.3 Ų88.367%0.6748%0.479SS*.Hα-helixtrans-70.7-36.3169.100000113.3I974 K975 K976I974-G978 PolarHBondContact O-N 2.85Å; K975-G978 WeakPolarHBondContact O-CA 3.35Å; K975-G978 PolarHBondContact O-N 3.09Å; K976-G978 VanDerWaalsContact C-N 3.31Å; K976-G978 PolarHBondContact O-N 2.84Å
979E46.3Very low57.8Low130 Ų13092.8 Ų92.861%0.60750%0.502SS*.Hα-helixtrans-95.5-7.9-174.1-67.8169.3168.700114.1K975 K976K975-E979 VanDerWaalsContact CE-OE1 3.29Å; K975-E979 WeakPolarHBondContact CE-OE1 3.19Å; K975-E979 IonicContact NZ-OE1 3.89Å; K975-E979 PolarHBondContact NZ-OE1 3.34Å; K975-E979 IonicContact NZ-OE2 3.63Å; K975-E979 PolarHBondContact O-N 3.16Å; K976-E979 CarbonylContact O-C 3.59Å; K976-E979 PolarHBondContact O-N 2.56Å
980S42.5Very low57.8Low79 Ų7992.9 Ų92.955%0.55251%0.511SS*.  trans-12620.9-17770.30000115.6K976 G982K976-S980 WeakPolarHBondContact O-CA 3.38Å; K976-S980 VanDerWaalsContact O-CB 3.23Å; K976-S980 WeakPolarHBondContact O-CB 3.16Å; K976-S980 PolarHBondContact O-N 2.92Å; K976-S980 PolarHBondContact O-OG 2.81Å; S980-G982 VanDerWaalsContact C-N 3.31Å; S980-G982 PolarHBondContact O-N 2.95Å
981L44.6Very low58.5Low84 Ų8495.6 Ų95.644%0.4452%0.519SS..  trans-64.8100.7152.4-102.774.8000107.2R977 E985 L989R977-L981 VanDerWaalsContact O-CD1 3.23Å; R977-L981 WeakPolarHBondContact O-CD1 3.09Å; L981-E985 HydrophobicContact CG-CB 4.19Å; L981-L989 HydrophobicContact CD2-CD1 3.75Å
982G44.5Very low59Low33 Ų3396.4 Ų96.434%0.3453%0.529SS..  trans-56.4151.217400000110.4S980 T984 E985 G986S980-G982 VanDerWaalsContact C-N 3.31Å; S980-G982 PolarHBondContact O-N 2.95Å; G982-T984 PolarHBondContact O-N 3.32Å; G982-E985 PolarHBondContact O-N 2.9Å; G982-G986 PolarHBondContact O-N 3.21Å; G982-G986 VanDerWaalsContact O-N 3.11Å
983Y57Low60Low228 Ų228101 Ų10189%0.89455%0.545SS*.Hα-helixtrans-49.2-30.5-174.8-70.7-85.5000113.9A987Y983-A987 WeakPolarHBondContact O-CB 2.89Å; Y983-A987 PolarHBondContact O-N 2.94Å
984T59.8Low61.4Low107 Ų107102.7 Ų102.766%0.65655%0.549SS*.Hα-helixtrans-65-42.4173.346.50000114.3G982 L988G982-T984 PolarHBondContact O-N 3.32Å; T984-L988 WeakPolarHBondContact O-CB 3.46Å; T984-L988 WeakPolarHBondContact O-CG 3.29Å; T984-L988 PolarHBondContact O-N 2.75Å
985E64.3Low62.9Low110 Ų110101.4 Ų101.451%0.51454%0.542SS..Hα-helixtrans-77.7-38179.7-65.2-172.8135.600111.3L981 G982 A987 L988 L989L981-E985 HydrophobicContact CG-CB 4.19Å; G982-E985 PolarHBondContact O-N 2.9Å; E985-A987 VanDerWaalsContact C-N 3.33Å; E985-L988 PolarHBondContact O-N 3.14Å; E985-L989 PolarHBondContact O-N 2.95Å
986G68.1Low64.7Low31 Ų3199.7 Ų99.732%0.3254%0.538SS..Hα-helixtrans-58.7-44.3168.800000111.9G982 L989 A990G982-G986 PolarHBondContact O-N 3.21Å; G982-G986 VanDerWaalsContact O-N 3.11Å; G986-L989 PolarHBondContact O-N 2.66Å; G986-A990 WeakPolarHBondContact O-CB 3.38Å; G986-A990 PolarHBondContact O-N 3.12Å
987A71.7Confident66.5Low57 Ų5797.7 Ų97.747%0.47153%0.534SS..Hα-helixtrans-64.7-39.7174.800000112.8Y983 E985 A990 L991Y983-A987 WeakPolarHBondContact O-CB 2.89Å; Y983-A987 PolarHBondContact O-N 2.94Å; E985-A987 VanDerWaalsContact C-N 3.33Å; A987-A990 PolarHBondContact O-N 2.96Å; A987-L991 VanDerWaalsContact O-CB 3.24Å; A987-L991 WeakPolarHBondContact O-CB 3.36Å; A987-L991 PolarHBondContact O-N 2.91Å
988L77.2Confident68.5Low114 Ų11492.3 Ų92.360%0.59753%0.525SS*.Hα-helixtrans-65.4-40.8175.8-80.1166.2000112.5T984 E985 L991 A992T984-L988 WeakPolarHBondContact O-CB 3.46Å; T984-L988 WeakPolarHBondContact O-CG 3.29Å; T984-L988 PolarHBondContact O-N 2.75Å; E985-L988 PolarHBondContact O-N 3.14Å; L988-L991 PolarHBondContact O-N 2.84Å; L988-A992 WeakPolarHBondContact O-CB 3.37Å; L988-A992 PolarHBondContact O-N 2.88Å
989L79.2Confident70.4Confident101 Ų10191.9 Ų91.953%0.52951%0.512SS..Hα-helixtrans-67.5-41.1174.6-101.7162.6000112.1L981 E985 G986 A992 F993L981-L989 HydrophobicContact CD2-CD1 3.75Å; E985-L989 PolarHBondContact O-N 2.95Å; G986-L989 PolarHBondContact O-N 2.66Å; L989-A992 PolarHBondContact O-N 2.93Å; L989-F993 PolarHBondContact O-N 3.24Å
990A77.2Confident72Confident50 Ų5089.6 Ų89.641%0.41350%0.503SS..Hα-helixtrans-62.4-44.6173.300000111.7G986 A987 A992 F993 I994G986-A990 WeakPolarHBondContact O-CB 3.38Å; G986-A990 PolarHBondContact O-N 3.12Å; A987-A990 PolarHBondContact O-N 2.96Å; A990-A992 PolarHBondContact O-N 3.18Å; A990-F993 PolarHBondContact O-N 2.82Å; A990-I994 VanDerWaalsContact O-CG1 3.27Å; A990-I994 WeakPolarHBondContact O-CG1 3.38Å; A990-I994 PolarHBondContact O-N 3.11Å
991L84.1Confident73.8Confident97 Ų9789 Ų8951%0.50850%0.497SS..Hα-helixtrans-60.5-44.5175.5-169.779.3000111.2A987 L988 F993 I994 I995A987-L991 VanDerWaalsContact O-CB 3.24Å; A987-L991 WeakPolarHBondContact O-CB 3.36Å; A987-L991 PolarHBondContact O-N 2.91Å; L988-L991 PolarHBondContact O-N 2.84Å; L991-F993 PolarHBondContact O-N 3.14Å; L991-I994 PolarHBondContact O-N 3.45Å; L991-I995 HydrophobicContact CD2-CD1 4.37Å; L991-I995 HydrophobicContact CG-CD1 4.02Å; L991-I995 WeakPolarHBondContact O-CB 3.35Å; L991-I995 VanDerWaalsContact O-CG1 3.25Å; L991-I995 WeakPolarHBondContact O-CG1 3.29Å; L991-I995 PolarHBondContact O-N 2.8Å
992A80.4Confident75.5Confident42 Ų4287.5 Ų87.535%0.34750%0.497SS..Hα-helixtrans-62.2-41.5175.400000111.9L988 L989 A990 I995 I996L988-A992 WeakPolarHBondContact O-CB 3.37Å; L988-A992 PolarHBondContact O-N 2.88Å; L989-A992 PolarHBondContact O-N 2.93Å; A990-A992 PolarHBondContact O-N 3.18Å; A992-I995 PolarHBondContact O-N 3.22Å; A992-I996 WeakPolarHBondContact O-CB 3.28Å; A992-I996 VanDerWaalsContact O-CG1 3.25Å; A992-I996 WeakPolarHBondContact O-CG1 3.41Å; A992-I996 PolarHBondContact O-N 2.87Å
993F83Confident77.2Confident133 Ų13390.5 Ų90.558%0.58350%0.504SS*.Hα-helixtrans-65.6-39.4175.5-121.7-81.2000112.5L989 A990 L991 I996 L997L989-F993 PolarHBondContact O-N 3.24Å; A990-F993 PolarHBondContact O-N 2.82Å; L991-F993 PolarHBondContact O-N 3.14Å; F993-I996 PolarHBondContact O-N 3.3Å; F993-L997 HydrophobicContact CD1-CD1 4.08Å; F993-L997 HydrophobicContact CD1-CG 4.42Å; F993-L997 VanDerWaalsContact O-CB 3.31Å; F993-L997 WeakPolarHBondContact O-CB 3.35Å; F993-L997 WeakPolarHBondContact O-CG 3.31Å; F993-L997 PolarHBondContact O-N 3.47Å
994I82.9Confident78.3Confident100 Ų10084.3 Ų84.351%0.51349%0.486SS..Hα-helixtrans-64.6-46.3174.3-69.7162.8000110.3A990 L991 I996 L997 C998A990-I994 VanDerWaalsContact O-CG1 3.27Å; A990-I994 WeakPolarHBondContact O-CG1 3.38Å; A990-I994 PolarHBondContact O-N 3.11Å; L991-I994 PolarHBondContact O-N 3.45Å; I994-I996 VanDerWaalsContact C-N 3.33Å; I994-I996 PolarHBondContact O-N 3.35Å; I994-L997 CarbonylContact O-C 3.36Å; I994-L997 PolarHBondContact O-N 3.42Å; I994-C998 WeakPolarHBondContact O-CB 3.4Å; I994-C998 PolarHBondContact O-N 3.47Å; I994-C998 PolarHBondContact O-SG 2.81Å; I994-C998 VanDerWaalsContact O-SG 3.39Å
995I85Confident79.3Confident93 Ų9384 Ų8448%0.47748%0.484SS..Hα-helixtrans-57.9-46.5175.2-70.7164.2000110.1L991 A992 C998 C999L991-I995 HydrophobicContact CD2-CD1 4.37Å; L991-I995 HydrophobicContact CG-CD1 4.02Å; L991-I995 WeakPolarHBondContact O-CB 3.35Å; L991-I995 VanDerWaalsContact O-CG1 3.25Å; L991-I995 WeakPolarHBondContact O-CG1 3.29Å; L991-I995 PolarHBondContact O-N 2.8Å; A992-I995 PolarHBondContact O-N 3.22Å; I995-C998 PolarHBondContact O-N 3.41Å; I995-C999 VanDerWaalsContact O-CB 3.23Å; I995-C999 WeakPolarHBondContact O-CB 3.24Å; I995-C999 PolarHBondContact O-N 2.8Å; I995-C999 PolarHBondContact O-SG 3.36Å
996I82.8Confident80Confident93 Ų9383.2 Ų83.248%0.47749%0.486SS..Hα-helixtrans-62.9-44.7176.6-70165.6000111.2A992 F993 I994 C998 C999 I1000A992-I996 WeakPolarHBondContact O-CB 3.28Å; A992-I996 VanDerWaalsContact O-CG1 3.25Å; A992-I996 WeakPolarHBondContact O-CG1 3.41Å; A992-I996 PolarHBondContact O-N 2.87Å; F993-I996 PolarHBondContact O-N 3.3Å; I994-I996 VanDerWaalsContact C-N 3.33Å; I994-I996 PolarHBondContact O-N 3.35Å; I996-C998 VanDerWaalsContact C-N 3.32Å; I996-C998 PolarHBondContact O-N 2.77Å; I996-C999 PolarHBondContact O-N 2.76Å; I996-I1000 HydrophobicContact CG2-CD1 3.72Å; I996-I1000 HydrophobicContact CG2-CG1 4.28Å; I996-I1000 VanDerWaalsContact O-CG1 3.26Å; I996-I1000 WeakPolarHBondContact O-CG1 3.49Å; I996-I1000 PolarHBondContact O-N 3.26Å
997L82.1Confident80.4Confident108 Ų10886.1 Ų86.157%0.56549%0.494SS*.Hα-helixtrans-68.2-24.9178.3-80.1168.1000113.9F993 I994 P1001F993-L997 HydrophobicContact CD1-CD1 4.08Å; F993-L997 HydrophobicContact CD1-CG 4.42Å; F993-L997 VanDerWaalsContact O-CB 3.31Å; F993-L997 WeakPolarHBondContact O-CB 3.35Å; F993-L997 WeakPolarHBondContact O-CG 3.31Å; F993-L997 PolarHBondContact O-N 3.47Å; I994-L997 CarbonylContact O-C 3.36Å; I994-L997 PolarHBondContact O-N 3.42Å; L997-P1001 WeakPolarHBondContact O-CD 3.49Å; L997-P1001 WeakPolarHBondContact O-CG 3.21Å
998C82Confident80.7Confident83 Ų8387.1 Ų87.156%0.56149%0.494SS*.Hα-helixtrans-83.7-34.3169.6-690000112.2I994 I995 I996 P1001 A1002I994-C998 WeakPolarHBondContact O-CB 3.4Å; I994-C998 PolarHBondContact O-N 3.47Å; I994-C998 PolarHBondContact O-SG 2.81Å; I994-C998 VanDerWaalsContact O-SG 3.39Å; I995-C998 PolarHBondContact O-N 3.41Å; I996-C998 VanDerWaalsContact C-N 3.32Å; I996-C998 PolarHBondContact O-N 2.77Å; C998-P1001 WeakPolarHBondContact O-CD 2.99Å; C998-P1001 WeakPolarHBondContact O-CG 3.42Å; C998-A1002 PolarHBondContact O-N 3.29Å
999C83.5Confident80.6Confident57 Ų5784.6 Ų84.639%0.38549%0.486SS..Hα-helixtrans-72.7-33.4176.8-75.90000112.8I995 I996 A1002 I1003I995-C999 VanDerWaalsContact O-CB 3.23Å; I995-C999 WeakPolarHBondContact O-CB 3.24Å; I995-C999 PolarHBondContact O-N 2.8Å; I995-C999 PolarHBondContact O-SG 3.36Å; I996-C999 PolarHBondContact O-N 2.76Å; C999-A1002 PolarHBondContact O-N 2.65Å; C999-I1003 HydrophobicContact CB-CD1 4.22Å; C999-I1003 VanDerWaalsContact O-CB 3.27Å; C999-I1003 WeakPolarHBondContact O-CB 3.47Å; C999-I1003 WeakPolarHBondContact O-CD1 3.48Å; C999-I1003 WeakPolarHBondContact O-CG1 3.3Å; C999-I1003 PolarHBondContact O-N 2.84Å
1000I81.2Confident80.4Confident82 Ų8285.7 Ų85.742%0.42148%0.484SS..Hα-helixtrans-56.7-54.2176.4-75.5164000112.5I996 A1002 I1003 L1004I996-I1000 HydrophobicContact CG2-CD1 3.72Å; I996-I1000 HydrophobicContact CG2-CG1 4.28Å; I996-I1000 VanDerWaalsContact O-CG1 3.26Å; I996-I1000 WeakPolarHBondContact O-CG1 3.49Å; I996-I1000 PolarHBondContact O-N 3.26Å; I1000-A1002 VanDerWaalsContact C-N 3.34Å; I1000-A1002 PolarHBondContact O-N 2.86Å; I1000-I1003 PolarHBondContact O-N 2.8Å; I1000-L1004 HydrophobicContact CG2-CD1 3.86Å; I1000-L1004 HydrophobicContact CG2-CG 4.49Å; I1000-L1004 WeakPolarHBondContact O-CB 3.3Å; I1000-L1004 VanDerWaalsContact O-CG 3.31Å; I1000-L1004 WeakPolarHBondContact O-CG 3.32Å; I1000-L1004 PolarHBondContact O-N 3.09Å
1001P79.4Confident80.1Confident65 Ų6592.6 Ų92.642%0.42250%0.499SS..Hα-helixtrans-66.5-33.6176.624.7-32.2000112.1L997 C998 L1004 V1005L997-P1001 WeakPolarHBondContact O-CD 3.49Å; L997-P1001 WeakPolarHBondContact O-CG 3.21Å; C998-P1001 WeakPolarHBondContact O-CD 2.99Å; C998-P1001 WeakPolarHBondContact O-CG 3.42Å; P1001-L1004 PolarHBondContact O-N 2.86Å; P1001-V1005 WeakPolarHBondContact O-CB 3.41Å; P1001-V1005 VanDerWaalsContact O-CG2 3.28Å; P1001-V1005 WeakPolarHBondContact O-CG2 3.26Å; P1001-V1005 PolarHBondContact O-N 3.28Å
1002A79.4Confident79.2Confident53 Ų5393.1 Ų93.144%0.43850%0.499SS..Hα-helixtrans-63.4-46.3173.400000112C998 C999 I1000 V1005 V1006C998-A1002 PolarHBondContact O-N 3.29Å; C999-A1002 PolarHBondContact O-N 2.65Å; I1000-A1002 VanDerWaalsContact C-N 3.34Å; I1000-A1002 PolarHBondContact O-N 2.86Å; A1002-V1005 PolarHBondContact O-N 3.23Å; A1002-V1006 WeakPolarHBondContact O-CG2 3.33Å; A1002-V1006 PolarHBondContact O-N 2.94Å
1003I81.7Confident78.6Confident97 Ų9796.7 Ų96.750%0.49751%0.507SS..Hα-helixtrans-66.2-38.4176.3-69.5164.8000110.6C999 I1000 V1006 L1007C999-I1003 HydrophobicContact CB-CD1 4.22Å; C999-I1003 VanDerWaalsContact O-CB 3.27Å; C999-I1003 WeakPolarHBondContact O-CB 3.47Å; C999-I1003 WeakPolarHBondContact O-CD1 3.48Å; C999-I1003 WeakPolarHBondContact O-CG1 3.3Å; C999-I1003 PolarHBondContact O-N 2.84Å; I1000-I1003 PolarHBondContact O-N 2.8Å; I1003-V1006 PolarHBondContact O-N 3.22Å; I1003-L1007 HydrophobicContact CG2-CD1 3.81Å; I1003-L1007 HydrophobicContact CG2-CG 4.24Å; I1003-L1007 VanDerWaalsContact O-CB 3.29Å; I1003-L1007 WeakPolarHBondContact O-CB 3.33Å; I1003-L1007 VanDerWaalsContact O-CG 3.24Å; I1003-L1007 WeakPolarHBondContact O-CG 3.3Å; I1003-L1007 PolarHBondContact O-N 2.9Å
1004L79.5Confident77.7Confident98 Ų9895.7 Ų95.751%0.51350%0.502SS..Hα-helixtrans-65.2-41.5173.2-76.9170000111.7I1000 P1001 L1007 V1008I1000-L1004 HydrophobicContact CG2-CD1 3.86Å; I1000-L1004 HydrophobicContact CG2-CG 4.49Å; I1000-L1004 WeakPolarHBondContact O-CB 3.3Å; I1000-L1004 VanDerWaalsContact O-CG 3.31Å; I1000-L1004 WeakPolarHBondContact O-CG 3.32Å; I1000-L1004 PolarHBondContact O-N 3.09Å; P1001-L1004 PolarHBondContact O-N 2.86Å; L1004-L1007 PolarHBondContact O-N 3.25Å; L1004-V1008 VanDerWaalsContact O-CB 3.28Å; L1004-V1008 WeakPolarHBondContact O-CB 3.35Å; L1004-V1008 VanDerWaalsContact O-CG2 3.23Å; L1004-V1008 WeakPolarHBondContact O-CG2 3.43Å; L1004-V1008 PolarHBondContact O-N 3Å
1005V79.8Confident76.7Confident101 Ų10194.9 Ų94.961%0.61250%0.502SS*.Hα-helixtrans-61-46.6172.5166.60000110.2P1001 A1002 L1007 V1008 S1009P1001-V1005 WeakPolarHBondContact O-CB 3.41Å; P1001-V1005 VanDerWaalsContact O-CG2 3.28Å; P1001-V1005 WeakPolarHBondContact O-CG2 3.26Å; P1001-V1005 PolarHBondContact O-N 3.28Å; A1002-V1005 PolarHBondContact O-N 3.23Å; V1005-L1007 PolarHBondContact O-N 3.31Å; V1005-V1008 PolarHBondContact O-N 2.89Å; V1005-S1009 WeakPolarHBondContact O-CB 3.45Å; V1005-S1009 PolarHBondContact O-N 3.49Å; V1005-S1009 PolarHBondContact O-OG 3.03Å; V1005-S1009 VanDerWaalsContact O-OG 3.04Å
1006V79.8Confident75.4Confident92 Ų9298.3 Ų98.356%0.55851%0.509SS*.Hα-helixtrans-62-40.2175.5172.20000112.1A1002 I1003 S1009 Y1010A1002-V1006 WeakPolarHBondContact O-CG2 3.33Å; A1002-V1006 PolarHBondContact O-N 2.94Å; I1003-V1006 PolarHBondContact O-N 3.22Å; V1006-S1009 WeakPolarHBondContact CA-OG 3.41Å; V1006-S1009 PolarHBondContact O-OG 3.31Å; V1006-S1009 VanDerWaalsContact O-OG 3.1Å; V1006-Y1010 WeakPolarHBondContact O-CA 3.45Å; V1006-Y1010 WeakPolarHBondContact O-CB 3.37Å; V1006-Y1010 PolarHBondContact O-N 3.14Å
1007L76.7Confident74.1Confident93 Ų9398.4 Ų98.449%0.48751%0.507SS..Hα-helixtrans-72.6-34.7178.1-75.3172.1000112.5I1003 L1004 V1005 R1011I1003-L1007 HydrophobicContact CG2-CD1 3.81Å; I1003-L1007 HydrophobicContact CG2-CG 4.24Å; I1003-L1007 VanDerWaalsContact O-CB 3.29Å; I1003-L1007 WeakPolarHBondContact O-CB 3.33Å; I1003-L1007 VanDerWaalsContact O-CG 3.24Å; I1003-L1007 WeakPolarHBondContact O-CG 3.3Å; I1003-L1007 PolarHBondContact O-N 2.9Å; L1004-L1007 PolarHBondContact O-N 3.25Å; V1005-L1007 PolarHBondContact O-N 3.31Å; L1007-R1011 VanDerWaalsContact O-CB 3.26Å; L1007-R1011 WeakPolarHBondContact O-CB 3.08Å; L1007-R1011 WeakPolarHBondContact O-CG 3.28Å; L1007-R1011 PolarHBondContact O-N 3.16Å
1008V77.1Confident72.8Confident78 Ų7896 Ų9647%0.47350%0.503SS..Hα-helixtrans-72.2-44.4174.3168.70000110.1L1004 V1005 R1011 Q1012L1004-V1008 VanDerWaalsContact O-CB 3.28Å; L1004-V1008 WeakPolarHBondContact O-CB 3.35Å; L1004-V1008 VanDerWaalsContact O-CG2 3.23Å; L1004-V1008 WeakPolarHBondContact O-CG2 3.43Å; L1004-V1008 PolarHBondContact O-N 3Å; V1005-V1008 PolarHBondContact O-N 2.89Å; V1008-R1011 PolarHBondContact O-N 2.83Å; V1008-Q1012 WeakPolarHBondContact O-CB 3.23Å; V1008-Q1012 WeakPolarHBondContact O-CG 3.45Å; V1008-Q1012 PolarHBondContact O-N 3.46Å
1009S76.3Confident71.6Confident61 Ų6197.7 Ų97.743%0.42750%0.503SS..Hα-helixtrans-66.1-37.4174.266.80000111.4V1005 V1006 Q1012 F1013V1005-S1009 WeakPolarHBondContact O-CB 3.45Å; V1005-S1009 PolarHBondContact O-N 3.49Å; V1005-S1009 PolarHBondContact O-OG 3.03Å; V1005-S1009 VanDerWaalsContact O-OG 3.04Å; V1006-S1009 WeakPolarHBondContact CA-OG 3.41Å; V1006-S1009 PolarHBondContact O-OG 3.31Å; V1006-S1009 VanDerWaalsContact O-OG 3.1Å; S1009-Q1012 PolarHBondContact O-N 2.97Å; S1009-F1013 WeakPolarHBondContact O-CB 3.12Å; S1009-F1013 PolarHBondContact O-N 2.74Å
1010Y74.2Confident70.1Confident123 Ų12398.4 Ų98.448%0.48251%0.507SS..Hα-helixtrans-70.6-34.3174.1-174.6-106.2000112.4V1006 F1013 K1014V1006-Y1010 WeakPolarHBondContact O-CA 3.45Å; V1006-Y1010 WeakPolarHBondContact O-CB 3.37Å; V1006-Y1010 PolarHBondContact O-N 3.14Å; Y1010-F1013 PolarHBondContact O-N 2.65Å; Y1010-K1014 HydrophobicContact CE1-CD 3.82Å; Y1010-K1014 HydrophobicContact CE1-CG 4.34Å; Y1010-K1014 WeakPolarHBondContact O-CB 3.44Å; Y1010-K1014 PolarHBondContact O-N 2.83Å; Y1010-K1014 WeakPolarHBondContact OH-CE 3.28Å; Y1010-K1014 PolarHBondContact OH-NZ 2.73Å
1011R70.4Confident68.7Low195 Ų19598.6 Ų98.674%0.73651%0.513SS*.Hα-helixtrans-66.5-47.2169.6-86.6-174.9168.3-165.4-2111.5L1007 V1008 F1013 K1014 V1015L1007-R1011 VanDerWaalsContact O-CB 3.26Å; L1007-R1011 WeakPolarHBondContact O-CB 3.08Å; L1007-R1011 WeakPolarHBondContact O-CG 3.28Å; L1007-R1011 PolarHBondContact O-N 3.16Å; V1008-R1011 PolarHBondContact O-N 2.83Å; R1011-F1013 VanDerWaalsContact C-N 3.28Å; R1011-F1013 PolarHBondContact O-N 2.87Å; R1011-K1014 PolarHBondContact O-N 3.29Å; R1011-V1015 WeakPolarHBondContact O-CB 3.38Å; R1011-V1015 VanDerWaalsContact O-CG2 3.31Å; R1011-V1015 WeakPolarHBondContact O-CG2 3.26Å; R1011-V1015 PolarHBondContact O-N 3.26Å
1012Q65.8Low67.4Low109 Ų109103.8 Ų103.851%0.50953%0.529SS..Hα-helixtrans-61.7-37.6174.3-73.8-173.62.400111.5V1008 S1009 R1016V1008-Q1012 WeakPolarHBondContact O-CB 3.23Å; V1008-Q1012 WeakPolarHBondContact O-CG 3.45Å; V1008-Q1012 PolarHBondContact O-N 3.46Å; S1009-Q1012 PolarHBondContact O-N 2.97Å; Q1012-R1016 VanDerWaalsContact O-CB 3.24Å; Q1012-R1016 WeakPolarHBondContact O-CB 3.05Å; Q1012-R1016 VanDerWaalsContact O-CG 3.28Å; Q1012-R1016 WeakPolarHBondContact O-CG 3.49Å; Q1012-R1016 PolarHBondContact O-N 2.72Å
1013F67.4Low65.9Low116 Ų116105.7 Ų105.751%0.50954%0.535SS..Hα-helixtrans-68.9-38.6175-169-98.8000111.9S1009 Y1010 R1011 Q1017S1009-F1013 WeakPolarHBondContact O-CB 3.12Å; S1009-F1013 PolarHBondContact O-N 2.74Å; Y1010-F1013 PolarHBondContact O-N 2.65Å; R1011-F1013 VanDerWaalsContact C-N 3.28Å; R1011-F1013 PolarHBondContact O-N 2.87Å; F1013-Q1017 HydrophobicContact CD1-CG 4.22Å; F1013-Q1017 VanDerWaalsContact CE1-CD 3.48Å; F1013-Q1017 HydrophobicContact CE1-CG 4.04Å; F1013-Q1017 VanDerWaalsContact CE1-NE2 3.33Å; F1013-Q1017 HydrophobicContact CZ-CG 4.49Å; F1013-Q1017 VanDerWaalsContact O-CB 3.26Å; F1013-Q1017 WeakPolarHBondContact O-CB 3.26Å; F1013-Q1017 VanDerWaalsContact O-CG 3.31Å; F1013-Q1017 WeakPolarHBondContact O-CG 3.34Å; F1013-Q1017 PolarHBondContact O-N 3.35Å
1014K65Low64.2Low112 Ų112104.1 Ų104.149%0.48754%0.536SS..Hα-helixtrans-72.6-33.3173.3-96.3-167.2166.2175.70113.9Y1010 R1011 Q1017 A1018Y1010-K1014 HydrophobicContact CE1-CD 3.82Å; Y1010-K1014 HydrophobicContact CE1-CG 4.34Å; Y1010-K1014 WeakPolarHBondContact O-CB 3.44Å; Y1010-K1014 PolarHBondContact O-N 2.83Å; Y1010-K1014 WeakPolarHBondContact OH-CE 3.28Å; Y1010-K1014 PolarHBondContact OH-NZ 2.73Å; R1011-K1014 PolarHBondContact O-N 3.29Å; K1014-Q1017 PolarHBondContact O-N 3.46Å; K1014-A1018 WeakPolarHBondContact O-CB 3.37Å; K1014-A1018 PolarHBondContact O-N 2.77Å
1015V60.9Low62.7Low83 Ų83110.3 Ų110.350%0.50355%0.553SS.*Hα-helixtrans-68.7-48.1172.4170.70000109.5R1011 Q1017 A1018 E1019R1011-V1015 WeakPolarHBondContact O-CB 3.38Å; R1011-V1015 VanDerWaalsContact O-CG2 3.31Å; R1011-V1015 WeakPolarHBondContact O-CG2 3.26Å; R1011-V1015 PolarHBondContact O-N 3.26Å; V1015-Q1017 VanDerWaalsContact C-N 3.32Å; V1015-Q1017 PolarHBondContact O-N 3.04Å; V1015-A1018 WeakPolarHBondContact O-CA 3.24Å; V1015-A1018 WeakPolarHBondContact O-CB 3.46Å; V1015-A1018 PolarHBondContact O-N 3.31Å; V1015-E1019 WeakPolarHBondContact O-CG 3.31Å; V1015-E1019 PolarHBondContact O-N 2.78Å
1016R58.2Low60.9Low165 Ų165112.2 Ų112.262%0.62356%0.558SS**Hα-helixtrans-59.6-39171.3-74.4176.3175.6168.10.3112Q1012 E1019 C1020Q1012-R1016 VanDerWaalsContact O-CB 3.24Å; Q1012-R1016 WeakPolarHBondContact O-CB 3.05Å; Q1012-R1016 VanDerWaalsContact O-CG 3.28Å; Q1012-R1016 WeakPolarHBondContact O-CG 3.49Å; Q1012-R1016 PolarHBondContact O-N 2.72Å; R1016-E1019 PolarHBondContact O-N 2.76Å; R1016-C1020 WeakPolarHBondContact O-CA 3.44Å; R1016-C1020 WeakPolarHBondContact O-CB 3.31Å; R1016-C1020 PolarHBondContact O-N 2.79Å; R1016-C1020 PolarHBondContact O-SG 2.8Å
1017Q55.6Low58.8Low95 Ų95115.5 Ų115.544%0.44457%0.567SS.*Hα-helixtrans-67.3-32.4172-81.7-171-29.900112.6F1013 K1014 V1015 T1021F1013-Q1017 HydrophobicContact CD1-CG 4.22Å; F1013-Q1017 VanDerWaalsContact CE1-CD 3.48Å; F1013-Q1017 HydrophobicContact CE1-CG 4.04Å; F1013-Q1017 VanDerWaalsContact CE1-NE2 3.33Å; F1013-Q1017 HydrophobicContact CZ-CG 4.49Å; F1013-Q1017 VanDerWaalsContact O-CB 3.26Å; F1013-Q1017 WeakPolarHBondContact O-CB 3.26Å; F1013-Q1017 VanDerWaalsContact O-CG 3.31Å; F1013-Q1017 WeakPolarHBondContact O-CG 3.34Å; F1013-Q1017 PolarHBondContact O-N 3.35Å; K1014-Q1017 PolarHBondContact O-N 3.46Å; V1015-Q1017 VanDerWaalsContact C-N 3.32Å; V1015-Q1017 PolarHBondContact O-N 3.04Å; Q1017-T1021 WeakPolarHBondContact O-CA 3.1Å; Q1017-T1021 WeakPolarHBondContact O-CB 3.48Å; Q1017-T1021 PolarHBondContact O-N 3.31Å; Q1017-T1021 PolarHBondContact O-OG1 3.23Å
1018A56.1Low57Low57 Ų57117.1 Ų117.147%0.47159%0.586SS.*Hα-helixtrans-71.3-40175.700000111.9K1014 V1015 T1021 K1022K1014-A1018 WeakPolarHBondContact O-CB 3.37Å; K1014-A1018 PolarHBondContact O-N 2.77Å; V1015-A1018 WeakPolarHBondContact O-CA 3.24Å; V1015-A1018 WeakPolarHBondContact O-CB 3.46Å; V1015-A1018 PolarHBondContact O-N 3.31Å; A1018-T1021 PolarHBondContact O-N 2.81Å; A1018-K1022 PolarHBondContact O-N 3.1Å; A1018-K1022 VanDerWaalsContact O-N 3.07Å
1019E55.4Low55.1Low120 Ų120117.4 Ų117.456%0.56160%0.597SS**Hα-helixtrans-70.4-45.6174.4-67.6178.6145.700111.2V1015 R1016 T1021 K1022 T1023V1015-E1019 WeakPolarHBondContact O-CG 3.31Å; V1015-E1019 PolarHBondContact O-N 2.78Å; R1016-E1019 PolarHBondContact O-N 2.76Å; E1019-T1021 VanDerWaalsContact C-N 3.29Å; E1019-T1021 PolarHBondContact O-N 2.79Å; E1019-K1022 CarbonylContact O-C 3.55Å; E1019-K1022 WeakPolarHBondContact O-CA 3.49Å; E1019-K1022 WeakPolarHBondContact O-CB 3.49Å; E1019-K1022 PolarHBondContact O-N 3.48Å; E1019-T1023 PolarHBondContact O-N 2.86Å; E1019-T1023 PolarHBondContact O-OG1 3.41Å; E1019-T1023 VanDerWaalsContact O-OG1 3.13Å
1020C52.6Low53.1Low71 Ų71123.4 Ų123.448%0.4862%0.621SS.*Hα-helixtrans-66.5-24.4171.6-67.80000113.1R1016 T1023 A1024R1016-C1020 WeakPolarHBondContact O-CA 3.44Å; R1016-C1020 WeakPolarHBondContact O-CB 3.31Å; R1016-C1020 PolarHBondContact O-N 2.79Å; R1016-C1020 PolarHBondContact O-SG 2.8Å; C1020-T1023 WeakPolarHBondContact CA-OG1 3.45Å; C1020-T1023 PolarHBondContact O-N 2.78Å; C1020-A1024 WeakPolarHBondContact O-CA 3.14Å; C1020-A1024 WeakPolarHBondContact O-CB 3.5Å; C1020-A1024 PolarHBondContact O-N 3.48Å
1021T52.6Low51.2Low87 Ų87123.4 Ų123.453%0.53464%0.636SS.*Hα-helixtrans-78.9-23.1170.8-580000111.3Q1017 A1018 E1019Q1017-T1021 WeakPolarHBondContact O-CA 3.1Å; Q1017-T1021 WeakPolarHBondContact O-CB 3.48Å; Q1017-T1021 PolarHBondContact O-N 3.31Å; Q1017-T1021 PolarHBondContact O-OG1 3.23Å; A1018-T1021 PolarHBondContact O-N 2.81Å; E1019-T1021 VanDerWaalsContact C-N 3.29Å; E1019-T1021 PolarHBondContact O-N 2.79Å
1022K50.3Low49.5Very low174 Ų174119 Ų11976%0.75764%0.641SS**Hα-helixtrans-74.6-27.6167.9-80.1-178.2172.4-178.40113.2A1018 E1019A1018-K1022 PolarHBondContact O-N 3.1Å; A1018-K1022 VanDerWaalsContact O-N 3.07Å; E1019-K1022 CarbonylContact O-C 3.55Å; E1019-K1022 WeakPolarHBondContact O-CA 3.49Å; E1019-K1022 WeakPolarHBondContact O-CB 3.49Å; E1019-K1022 PolarHBondContact O-N 3.48Å
1023T49Very low48Very low92 Ų92118.5 Ų118.556%0.56466%0.656SS**Hα-helixtrans-102.6-36.6178.746.50000115E1019 C1020 R1025 I1026E1019-T1023 PolarHBondContact O-N 2.86Å; E1019-T1023 PolarHBondContact O-OG1 3.41Å; E1019-T1023 VanDerWaalsContact O-OG1 3.13Å; C1020-T1023 WeakPolarHBondContact CA-OG1 3.45Å; C1020-T1023 PolarHBondContact O-N 2.78Å; T1023-R1025 VanDerWaalsContact C-N 3.3Å; T1023-R1025 PolarHBondContact O-N 2.79Å; T1023-I1026 WeakPolarHBondContact O-CB 3.01Å; T1023-I1026 PolarHBondContact O-N 2.83Å
1024A45Very low46.6Very low64 Ų64123 Ų12353%0.52968%0.675SS.*THydrogen-bonded Turntrans-80.1-5.8179.800000114.2C1020 I1026C1020-A1024 WeakPolarHBondContact O-CA 3.14Å; C1020-A1024 WeakPolarHBondContact O-CB 3.5Å; C1020-A1024 PolarHBondContact O-N 3.48Å; A1024-I1026 PolarHBondContact O-N 2.84Å
1025R48.8Very low45.2Very low228 Ų228123.5 Ų123.586%0.8669%0.689SS**THydrogen-bonded Turntrans-70.1-6.1159.8-114.1-178.3-179.9175.90.8113.1T1023T1023-R1025 VanDerWaalsContact C-N 3.3Å; T1023-R1025 PolarHBondContact O-N 2.79Å
1026I42.5Very low44Very low141 Ų141124.4 Ų124.472%0.72371%0.705SS**THydrogen-bonded Turntrans-112.7-25.9-179.2-59176.5000112T1023 A1024T1023-I1026 WeakPolarHBondContact O-CB 3.01Å; T1023-I1026 PolarHBondContact O-N 2.83Å; A1024-I1026 PolarHBondContact O-N 2.84Å
1027Q35.1Very low43.2Very low162 Ų162121 Ų12176%0.75771%0.712SS**  trans-131100.5-179.4-70-168.9-18.100113.9A1029Q1027-A1029 PolarHBondContact O-N 3Å
1028S38.8Very low42.6Very low126 Ų126122.3 Ų122.388%0.88173%0.729SS**  trans-85.190.817351.20000111.8
1029A37.6Very low42Very low85 Ų85126.3 Ų126.370%0.70275%0.748SS**  trans-156.8116169.100000114.7Q1027Q1027-A1029 PolarHBondContact O-N 3Å
1030M34.8Very low41.4Very low187 Ų187126 Ų12692%0.92176%0.756SS**  trans58139.6143.9-58.1-179.569.200122.1
1031P33.9Very low40.9Very low123 Ų123127.5 Ų127.580%0.79977%0.774SS**  trans-115.3160.4178.641.4-33.6000117.1
1032A33.7Very low40.6Very low103 Ų103128.1 Ų128.185%0.85179%0.788SS**  trans68.4110.3143.600000123.5
1033A35.3Very low40.6Very low98 Ų98126.1 Ų126.181%0.8179%0.792SS**  trans-161.3108.2142.700000109.1
1034K36.7Very low40.5Very low211 Ų211126.1 Ų126.192%0.91780%0.801SS**  86.314695-106.8-165.6175.1-175.40115.4
1035P37.1Very low40.9Very low121 Ų121128.7 Ų128.779%0.78681%0.813SS**  trans-114.9162.3-160.842.2-34.5000117
1036A35.9Very low41.5Very low102 Ų102123.5 Ų123.584%0.84381%0.809SS**  trans-166.9160.2160.600000107
1037A40.4Very low42.2Very low93 Ų93122.7 Ų122.777%0.76981%0.812SS**  cis-164.9165.2-21.800000106.4
1038P43.6Very low43.1Very low123 Ų123120.6 Ų120.680%0.79981%0.813SS**  trans-90.7177.2-174.137.7-36.2000113.4
1039V42.2Very low44.5Very low142 Ų142120.2 Ų120.286%0.86181%0.807SS**  trans160.4148.7154.2151.10000109.1
1040P44.5Very low45.4Very low114 Ų114121.8 Ų121.874%0.7481%0.811SS**  trans-138.9-155.4-131.146-29.4000116.7
1041A41Very low46.2Very low102 Ų102118.8 Ų118.884%0.84381%0.805SS**  trans82.7122.615200000121.2
1042A46.6Very low47.7Very low100 Ų100118.6 Ų118.683%0.82680%0.804SS**  trans-158.5159152.400000109
1043P49.3Very low48.4Very low132 Ų132119.7 Ų119.786%0.85780%0.802SS**  trans-113.7-175.4-148.741.5-33.9000117.1
1044A47.8Very low48.8Very low91 Ų91121.5 Ų121.575%0.75281%0.805SS**  trans-111.4-164.3178.300000111.3
1045P53.3Low48.8Very low118 Ų118115 Ų11577%0.76680%0.798SS**  -128.6-177.1-71.539.1-25.1000113.1
1046P62.2Low48.8Very low120 Ų120113.3 Ų113.378%0.77980%0.795SS**  trans-115.5165.216137.7-27.8000114.7
1047P56.6Low48.8Very low123 Ų123115.5 Ų115.580%0.79979%0.787SS**  trans-92.7176.2-169.7-5.227.3000115.8
1048P53Low48.5Very low119 Ų119118 Ų11877%0.77379%0.787SS**PPolyproline II helixtrans-93.1159.4-170.236.9-36.4000116
1049P69.2Low48.3Very low117 Ų117119.7 Ų119.776%0.7678%0.778SS**PPolyproline II helixtrans-91.4162.5172.836.7-35000114.5
1050P57Low47.9Very low119 Ų119120.4 Ų120.477%0.77377%0.772SS**PPolyproline II helixtrans-90.9169-174.937-37.5000115.5
1051P50.6Low47.5Very low123 Ų123122.8 Ų122.880%0.79977%0.773SS**PPolyproline II helixtrans-92.5151.7-175.936-35.8000115.5
1052P65.8Low47.3Very low120 Ų120125.1 Ų125.178%0.77977%0.771SS**PPolyproline II helixtrans-101.7168171.337.9-33.1000115
1053P48.6Very low46.5Very low126 Ų126123.5 Ų123.582%0.81876%0.764SS**  trans-96.8178.4-165-3.826.6000116.7
1054P43.7Very low45.6Very low135 Ų135126.1 Ų126.188%0.87777%0.765SS**  trans-108.8165.2-16440.8-36.1000118.1
1055G36.6Very low44.9Very low74 Ų74127 Ų12776%0.76377%0.766SS**  trans146.6169.216100000114.2
1056A36Very low43.9Very low86 Ų86125.9 Ų125.971%0.71177%0.766SS**  cis-176.2122.7-2900000111.7
1057H37.1Very low42.5Very low149 Ų149128.3 Ų128.369%0.6977%0.769SS**  trans57.7169.4171.2-63.9-91.3000117.3Y1059H1057-Y1059 PolarHBondContact CE1-OH 2.74Å; H1057-Y1059 AromaticContact ND1-CE2 3.38Å; H1057-Y1059 WeakPolarHBondContact ND1-CE2 3.38Å; H1057-Y1059 AromaticContact ND1-CZ 3.6Å; H1057-Y1059 PolarHBondContact ND1-OH 3.47Å
1058L34.8Very low41.2Very low145 Ų145129.7 Ų129.776%0.75977%0.765SS**  cis-126.1154.14.2-8386.6000109.7
1059Y37.9Very low40.1Very low159 Ų159132.9 Ų132.962%0.62477%0.766SS**  48.5137.286.7-41.1-55.9000115.4H1057H1057-Y1059 PolarHBondContact CE1-OH 2.74Å; H1057-Y1059 AromaticContact ND1-CE2 3.38Å; H1057-Y1059 WeakPolarHBondContact ND1-CE2 3.38Å; H1057-Y1059 AromaticContact ND1-CZ 3.6Å; H1057-Y1059 PolarHBondContact ND1-OH 3.47Å
1060E34.2Very low38.3Very low157 Ų157131.3 Ų131.373%0.73476%0.758SS**  cis-164.8-176.11.9-138.670.9-72.400109.1
1061E36Very low37.3Very low163 Ų163135.9 Ų135.976%0.76276%0.762SS**  cis-156.3-105.34.2-159-156.8-178.700115.2
1062L36Very low36.7Very low151 Ų151134.6 Ų134.679%0.79175%0.753SS**  trans-94.4170.2-166.8-70.5160.6000116
1063G31.3Very low35.1Very low66 Ų66139.2 Ų139.268%0.6876%0.755SS**  cis173.9157.2-5.500000115.7
1064E30.2Very low34.4Very low188 Ų188138.1 Ų138.188%0.87974%0.743SS**  trans55.2133.4163.1-60.1-146.614300126.6
1065S32Very low33.9Very low110 Ų110139.2 Ų139.277%0.76974%0.74SS**  trans60.2134.8139.7-66.40000122
1066A33.4Very low34.1Very low94 Ų94139.1 Ų139.178%0.77774%0.74SS**  cis-165.5175.912.100000114.7
1067M31.7Very low34.2Very low170 Ų170140 Ų14084%0.83773%0.732SS**  trans72.995.9155.1-79.1-112.6175.100123.5
1068H30.2Very low34.1Very low153 Ų153139.1 Ų139.171%0.70873%0.731SS**  76.1130.6118.1-106.7-55.5000125
1069K30.8Very low34.3Very low185 Ų185140 Ų14080%0.80474%0.735SS**  trans77139.3157.1-63.1172.8-1751710116.4
1070S29.9Very low34.5Very low85 Ų85135.7 Ų135.759%0.59473%0.733SS**  cis-170.4163-4.242.60000114
1071Y36.4Very low35.1Very low214 Ų214137.2 Ų137.284%0.83973%0.732SS**  trans99144.3155.4-63.8-55.8000120.8
1072P38.5Very low35.3Very low96 Ų96134.5 Ų134.562%0.62372%0.723SS**  trans-149.3-163.6-134.734.1-6.3000117.8
1073W32.1Very low35.6Very low217 Ų217133 Ų13382%0.82271%0.713SS**  trans98.3131.6157.3-61.6105.8000121.5
1074N33.5Very low36.3Very low104 Ų104135.1 Ų135.156%0.55671%0.709SS**  trans58.4108.8139.8-69-22.7000122.7
1075L32.6Very low36.9Very low157 Ų157133.5 Ų133.582%0.82270%0.699SS**SBend-143.9-1.4123.3-146.269000115.9L1077L1075-L1077 PolarHBondContact O-N 3.38Å
1076G42Very low37.4Very low73 Ų73132.7 Ų132.775%0.75369%0.685SS**THydrogen-bonded Turntrans-76-8.7-175.900000117
1077L37.2Very low38.1Very low104 Ų104133.5 Ų133.555%0.54568%0.675SS.*THydrogen-bonded Turntrans-99.26.3-161.1-12899.2000116.5L1075L1075-L1077 PolarHBondContact O-N 3.38Å
1078I36.3Very low38.6Very low131 Ų131129.2 Ų129.267%0.67266%0.658SS**SBendtrans-101.5-33.6-172-64.4177.1000113
1079L37.3Very low39Very low162 Ų162126.9 Ų126.985%0.84866%0.655SS**SBendtrans-78-32.4179.4-82.2162.5000113.6R1081L1079-R1081 VanDerWaalsContact C-N 3.26Å; L1079-R1081 PolarHBondContact O-N 2.88Å
1080A43.8Very low39.3Very low70 Ų70125.8 Ų125.858%0.57965%0.654SS**G310 helixtrans-63.7-28.7178.900000113.4N1082A1080-N1082 VanDerWaalsContact C-N 3.3Å; A1080-N1082 PolarHBondContact O-N 3.49Å
1081R45.5Very low39.8Very low189 Ų189125.9 Ų125.971%0.71366%0.655SS**G310 helixtrans-78.63.1-169.6-85-178.4162-179-4.7116.5L1079L1079-R1081 VanDerWaalsContact C-N 3.26Å; L1079-R1081 PolarHBondContact O-N 2.88Å
1082N40.7Very low39.7Very low106 Ų106123.6 Ų123.657%0.56765%0.654SS**G310 helixtrans-126.6-6.8179.6-80.5-40.2000115.3A1080A1080-N1082 VanDerWaalsContact C-N 3.3Å; A1080-N1082 PolarHBondContact O-N 3.49Å
1083M42.9Very low39.5Very low118 Ų118121.9 Ų121.958%0.58165%0.654SS**THydrogen-bonded Turntrans-70.2-39.7177-90.9-67.8176.200112.6K1085 I1086 I1087M1083-K1085 PolarHBondContact O-N 2.76Å; M1083-K1085 VanDerWaalsContact O-N 3.12Å; M1083-I1086 PolarHBondContact O-N 3.38Å; M1083-I1087 PolarHBondContact O-N 3.22Å
1084D45.8Very low39.4Very low111 Ų111120.8 Ų120.859%0.59466%0.66SS**Hα-helixtrans-55.8-34.1178.8-63-39.9000112.7I1086 T1088D1084-I1086 VanDerWaalsContact C-N 3.32Å; D1084-I1086 PolarHBondContact O-N 3.43Å; D1084-T1088 WeakPolarHBondContact O-CB 3.44Å; D1084-T1088 PolarHBondContact O-N 3.48Å; D1084-T1088 PolarHBondContact O-OG1 2.62Å
1085K41.9Very low39.3Very low155 Ų155127.2 Ų127.267%0.67468%0.677SS**Hα-helixtrans-78-12179-71.8-174.7176.5179.90114.4M1083 V1089M1083-K1085 PolarHBondContact O-N 2.76Å; M1083-K1085 VanDerWaalsContact O-N 3.12Å; K1085-V1089 VanDerWaalsContact O-CG2 3.3Å; K1085-V1089 WeakPolarHBondContact O-CG2 3.37Å
1086I41.9Very low39Very low93 Ų93125.6 Ų125.648%0.47768%0.677SS.*Hα-helixtrans-93.8-42.1172.8-64.2176.1000109.6M1083 D1084 T1088 V1089 M1090M1083-I1086 PolarHBondContact O-N 3.38Å; D1084-I1086 VanDerWaalsContact C-N 3.32Å; D1084-I1086 PolarHBondContact O-N 3.43Å; I1086-T1088 PolarHBondContact O-N 3.07Å; I1086-V1089 PolarHBondContact O-N 3.03Å; I1086-V1089 VanDerWaalsContact O-N 3.16Å; I1086-M1090 HydrophobicContact CG2-CE 4.18Å; I1086-M1090 PolarHBondContact O-N 3.05Å
1087I48.7Very low38.8Very low110 Ų110127.2 Ų127.256%0.56467%0.674SS**Hα-helixtrans-63.8-41.1175.5-63.3171.3000110.7M1083 V1089 M1090 S1091M1083-I1087 PolarHBondContact O-N 3.22Å; I1087-V1089 PolarHBondContact O-N 2.75Å; I1087-M1090 PolarHBondContact O-N 3.13Å; I1087-S1091 PolarHBondContact O-N 2.72Å; I1087-S1091 PolarHBondContact O-OG 3.04Å
1088T42.5Very low38.5Very low80 Ų80127.1 Ų127.149%0.49168%0.682SS.*Hα-helixtrans-61.2-26.3175.5-58.70000113.1D1084 I1086 S1091D1084-T1088 WeakPolarHBondContact O-CB 3.44Å; D1084-T1088 PolarHBondContact O-N 3.48Å; D1084-T1088 PolarHBondContact O-OG1 2.62Å; I1086-T1088 PolarHBondContact O-N 3.07Å; T1088-S1091 VanDerWaalsContact C-OG 3.31Å; T1088-S1091 WeakPolarHBondContact CA-OG 3.36Å; T1088-S1091 PolarHBondContact O-OG 3.4Å
1089V38.1Very low38.2Very low104 Ų104128.2 Ų128.263%0.6369%0.686SS**Hα-helixtrans-84.6-32.9178.7172.60000112K1085 I1086 I1087 S1091 M1092K1085-V1089 VanDerWaalsContact O-CG2 3.3Å; K1085-V1089 WeakPolarHBondContact O-CG2 3.37Å; I1086-V1089 PolarHBondContact O-N 3.03Å; I1086-V1089 VanDerWaalsContact O-N 3.16Å; I1087-V1089 PolarHBondContact O-N 2.75Å; V1089-S1091 VanDerWaalsContact C-N 3.27Å; V1089-S1091 PolarHBondContact O-N 3.35Å; V1089-M1092 PolarHBondContact O-N 3.43Å
1090M37.5Very low37.8Very low162 Ų162128 Ų12880%0.79868%0.681SS**Hα-helixtrans-72.9-18.8172.4-63.3-164.7-164.700113.3I1086 I1087 M1092I1086-M1090 HydrophobicContact CG2-CE 4.18Å; I1086-M1090 PolarHBondContact O-N 3.05Å; I1087-M1090 PolarHBondContact O-N 3.13Å; M1090-M1092 VanDerWaalsContact C-N 3.31Å
1091S40.8Very low37.2Very low87 Ų87130.4 Ų130.461%0.60869%0.688SS**THydrogen-bonded Turntrans-844.717450.10000115.1I1087 T1088 V1089I1087-S1091 PolarHBondContact O-N 2.72Å; I1087-S1091 PolarHBondContact O-OG 3.04Å; T1088-S1091 VanDerWaalsContact C-OG 3.31Å; T1088-S1091 WeakPolarHBondContact CA-OG 3.36Å; T1088-S1091 PolarHBondContact O-OG 3.4Å; V1089-S1091 VanDerWaalsContact C-N 3.27Å; V1089-S1091 PolarHBondContact O-N 3.35Å
1092M33.8Very low36.5Very low167 Ų167125.6 Ų125.682%0.82369%0.689SS**SBendtrans-104.557.4176.8-76-170.4154.400112.5V1089 M1090V1089-M1092 PolarHBondContact O-N 3.43Å; M1090-M1092 VanDerWaalsContact C-N 3.31Å
1093G33.9Very low36.1Very low60 Ų60127.3 Ų127.362%0.61970%0.703SS**SBendtrans-157.3140.1172.100000111.4
1094M31.1Very low35.4Very low194 Ų194128.1 Ų128.196%0.95671%0.71SS**  trans61.587.9178-59.6175.96500116.2
1095R30.7Very low34.6Very low239 Ų239127.8 Ų127.890%0.90272%0.715SS**  trans-135.3158.6153.4-84-166.4177.8-164.60.7110.1
1096C27.7Very low33.9Very low122 Ų122125 Ų12582%0.82471%0.714SS**  trans73.9155.1173.2-62.70000116.8
1097P36.5Very low33.3Very low107 Ų107128.8 Ų128.870%0.69573%0.729SS**  cis-143.5-166-43.740.7-24.1000113.1
1098S31.1Very low32.3Very low102 Ų102130.6 Ų130.671%0.71374%0.739SS**  trans74159.1151.776.30000118.9
1099M29.1Very low31.8Very low154 Ų154133.6 Ų133.676%0.75975%0.751SS**  cis-161.7140.1-23.6-109.316590.100110.4
1100E29.3Very low31.3Very low159 Ų159133.3 Ų133.374%0.74375%0.746SS**  51.7154.1125.5-138.8170.8-148.400124.4
1101V32.5Very low31.1Very low119 Ų119133 Ų13372%0.72174%0.736SS**  trans81.389.9161.2-164.50000120.9
1102A30.1Very low30.6Very low89 Ų89137.8 Ų137.874%0.73674%0.741SS**  52.7174.2118.700000124.4
1103V31.8Very low30.5Very low142 Ų142136.1 Ų136.186%0.86174%0.736SS**  trans79.4139.5171.4-177.90000115.9
1104D29.1Very low30.3Very low135 Ų135138.8 Ų138.872%0.72274%0.74SS**  cis-170176.9-32.3-165.83.5000107.3
1105C29.7Very low30.5Very low104 Ų104133.8 Ų133.870%0.70373%0.73SS**  trans70.4152.3163.7-71.30000118.9
1106C26.6Very low30.5Very low95 Ų95131.9 Ų131.964%0.64273%0.728SS**  cis-175.2124.9-37.6-117.90000109.3
1107H28Very low30.7Very low173 Ų173130.5 Ų130.580%0.80172%0.72SS**  trans61.2166149.8-80.7-77.5000121.9
1108L28.3Very low30.4Very low148 Ų148132.8 Ų132.878%0.77573%0.725SS**  trans70130.4160.9-67.2149.2000116.1
1109L31.4Very low30.6Very low143 Ų143133.1 Ų133.175%0.74972%0.723SS**  cis-130.2159.24.2-76.8108.8000109.8
1110D29.6Very low30.7Very low98 Ų98134.4 Ų134.452%0.52472%0.724SS.*  58.4141.359.2-123.9-15.3000111.1
1111R31.4Very low30.9Very low157 Ų157133.3 Ų133.359%0.59272%0.722SS**  cis-171.5126.517.4-173.9166-89.8-171.95.4113.6
1112R31.6Very low31Very low187 Ų187136 Ų13671%0.70673%0.725SS**  trans56.8-174.5148.8-57.6171.8-162.9162.62.2116.5
1113N30.7Very low31.2Very low132 Ų132142.4 Ų142.471%0.70673%0.73SS**  cis-143.6154.1-7.2-142.6-2.7000116.1
1114T31.3Very low31.6Very low115 Ų115141.5 Ų141.571%0.70672%0.72SS**  trans-50.7147.3165.656.10000118.2
1115A33.3Very low31.9Very low90 Ų90142.7 Ų142.774%0.74472%0.723SS**  trans-151121.914300000107
1116K31.8Very low32.3Very low199 Ų199146.8 Ų146.887%0.86573%0.729SS**  67.4133.971.6-73.6-174.9177.3-178.80112.7
1117S31.4Very low32.8Very low93 Ų93151.8 Ų151.865%0.6574%0.74SS**  cis-173.6138.34.1155.20000114.2
1118L31.4Very low33Very low154 Ų154153.4 Ų153.481%0.80675%0.745SS**  trans70.4134149.1-94.766.1000123.9
1119V33.6Very low33.3Very low110 Ų110161.7 Ų161.767%0.66777%0.765SS**  101.3111.4130160.80000121.5
1120K31.9Very low33.4Very low181 Ų181162.6 Ų162.679%0.78777%0.766SS**  trans46.2137.7139-57.5179.3180176.90119.1
1121L33.7Very low33.6Very low135 Ų135166 Ų16671%0.70778%0.779SS**  cis-167.8154.619.6-152.179.8000112
1122K34.2Very low33.8Very low177 Ų177166.5 Ų166.577%0.7779%0.789SS**  trans54.6126152.8-84.3178.6-175177.50122.5
1123R34.8Very low33.9Very low223 Ų223165.3 Ų165.384%0.84279%0.794SS**  trans85.5129.3139.9-83.6-174.5169.9167.6-4.2121.9
1124N39.6Very low34.1Very low123 Ų123167.4 Ų167.466%0.65880%0.8SS**  trans83.198.7142.8-65.913.9000122.1
1125M36.5Very low34.3Very low160 Ų160170.9 Ų170.979%0.78881%0.806SS**  83.5147.5125.2-68.7-156.1-67.400123.1
1126K38.1Very low34.4Very low189 Ų189176.6 Ų176.682%0.82281%0.81SS**  trans84.4133.3158-78.2179.4177.81790119.9
1127K37.1Very low34.6Very low201 Ų201174.9 Ų174.987%0.87481%0.806SS**  trans74.1114.3165.9-67.7-177.5175.9179.60118.6
1128K32.1Very low34.8Very low207 Ų207181.8 Ų181.890%0.982%0.819SS**  trans51.4101.2151.5-62-172.7176.1-172.80117.4
1129R34.8Very low35.1Very low321 Ų321184.3 Ų184.3100%1.21182%0.82SS**  -138.5078.6-137.1174.3-169.1166.84.4110.8

Retrieved 1,129 of 1,129 residues in 1003.2 ms (Link to these results)

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