A0A077YW50_TRITR Loading...

DDB1 and CUL4 associated factor 7

AlphaFold DB , UniProt , Accession A0A077YW50, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 388 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.1Very low40.5Very low245 Ų245169.1 Ų169.1100%1.20790%0.898SS**  086.60-165.4176.7-8400105.9
2K40.3Very low41.2Very low208 Ų208170.8 Ų170.890%0.90490%0.897SS**PPolyproline II helixtrans-91.9124-170.7-84-179172-177.60108.3
3L39.3Very low42.3Very low178 Ų178172.6 Ų172.693%0.93289%0.893SS**PPolyproline II helixtrans-61.5125.8173.3-80.1132.1000109.8
4E41.5Very low43.9Very low187 Ų187173.7 Ų173.787%0.87488%0.88SS**PPolyproline II helixtrans-75.1116.8166.5-77.3172.915400108.7M6E4-M6 PolarHBondContact O-N 3.28Å
5E43.6Very low45.9Very low194 Ų194170.1 Ų170.191%0.90786%0.856SS**  trans-69.5114170.2-116.9173.4156.700109A7E5-A7 PolarHBondContact O-N 2.82Å
6M40.1Very low48.4Very low179 Ų179167.4 Ų167.488%0.88284%0.839SS**  trans-70.6107.7170.1-67.5177.974.200109.1E4 Q8E4-M6 PolarHBondContact O-N 3.28Å; M6-Q8 PolarHBondContact O-N 3.31Å
7A41.1Very low51Low99 Ų99161.3 Ų161.382%0.81881%0.812SS**PPolyproline II helixtrans-63.6118.2168.800000109.9E5E5-A7 PolarHBondContact O-N 2.82Å
8Q35.9Very low53.5Low175 Ų175153.6 Ų153.682%0.81877%0.772SS**PPolyproline II helixtrans-66141.1167.4-76.4173.6-0.900109.6M6 L10M6-Q8 PolarHBondContact O-N 3.31Å; Q8-L10 PolarHBondContact O-N 2.75Å
9P37.6Very low55.7Low124 Ų124151.6 Ų151.681%0.80576%0.755SS**PPolyproline II helixtrans-67132.5177.221.4-20.5000109.9A11P9-A11 PolarHBondContact O-N 3.26Å
10L39Very low57.8Low169 Ų169145.3 Ų145.389%0.88572%0.722SS**PPolyproline II helixtrans-54.2120.1172.1-100.188.7000109.2Q8 Q12Q8-L10 PolarHBondContact O-N 2.75Å; L10-Q12 PolarHBondContact O-N 2.5Å
11A43.1Very low59.6Low102 Ų102144.2 Ų144.284%0.84372%0.715SS**  trans-61.9109.3170.100000109.3P9 K13P9-A11 PolarHBondContact O-N 3.26Å; A11-K13 PolarHBondContact O-N 2.76Å
12Q48.9Very low61.9Low190 Ų190132.7 Ų132.789%0.88866%0.658SS**  trans-66.6113178.7-147.9156.2-5.500108.4L10 R14L10-Q12 PolarHBondContact O-N 2.5Å; Q12-R14 PolarHBondContact O-N 3.24Å
13K55.1Low64.2Low194 Ų194127.4 Ų127.484%0.84365%0.645SS**  trans-60.6111.4-177.7-155.1179.9-176.7-170.30108.3A11A11-K13 PolarHBondContact O-N 2.76Å
14R64.7Low66.6Low188 Ų188120.4 Ų120.471%0.70961%0.606SS**  trans-60.2139.8-180-76.9-177.4171.3175.4-3.9110Q12Q12-R14 PolarHBondContact O-N 3.24Å
15K74.1Confident68.9Low120 Ų120115.3 Ų115.352%0.52259%0.585SS.*  trans-63140.4174.2-67.2-177.8-178.9174.90109.2Y18K15-Y18 HydrophobicContact CB-CE1 4.01Å; K15-Y18 HydrophobicContact CB-CE2 4.2Å; K15-Y18 HydrophobicContact CD-CD1 4.25Å; K15-Y18 HydrophobicContact CD-CE1 3.97Å; K15-Y18 HydrophobicContact CG-CE1 4.46Å
16E86.6Confident71.2Confident127 Ų127106.1 Ų106.159%0.59354%0.542SS*.SBendtrans-93.4-13.3176.8-68.2173.2172.800112.1R387E16-R387 HydrophobicContact CB-CB 4.49Å; E16-R387 PolarHBondContact O-N 2.94Å
17V92.6Very high73.7Confident63 Ų63100.3 Ų100.338%0.38251%0.511SS..EExtended strand (participates in β ladder)trans-135.1131.6177.9-178.90000109.3I385 L386V17-I385 WeakPolarHBondContact CA-O 3.46Å; V17-L386 HydrophobicContact CB-CD2 4.25Å; V17-L386 HydrophobicContact CG1-CD2 3.76Å; V17-L386 HydrophobicContact CG2-CD2 3.65Å
18Y95.6Very high76.2Confident23 Ų2395.7 Ų95.79%0.0947%0.473CS..EExtended strand (participates in β ladder)trans-121.9144.5168.3-60.8-91.5000109.2K15 L74 W374 E384 I385K15-Y18 HydrophobicContact CB-CE1 4.01Å; K15-Y18 HydrophobicContact CB-CE2 4.2Å; K15-Y18 HydrophobicContact CD-CD1 4.25Å; K15-Y18 HydrophobicContact CD-CE1 3.97Å; K15-Y18 HydrophobicContact CG-CE1 4.46Å; Y18-L74 HydrophobicContact CD1-CD1 3.59Å; Y18-L74 HydrophobicContact CD1-CD2 4.02Å; Y18-L74 HydrophobicContact CD1-CG 4.43Å; Y18-L74 HydrophobicContact CD2-CD2 3.89Å; Y18-L74 HydrophobicContact CE1-CD1 4.13Å; Y18-L74 HydrophobicContact CE1-CD2 4.07Å; Y18-L74 HydrophobicContact CE2-CD2 3.96Å; Y18-L74 HydrophobicContact CG-CD1 3.88Å; Y18-L74 HydrophobicContact CG-CD2 3.91Å; Y18-W374 AromaticContact CD2-CH2 3.78Å; Y18-W374 HydrophobicContact CD2-CH2 3.78Å; Y18-W374 AromaticContact CD2-CZ3 3.86Å; Y18-W374 HydrophobicContact CD2-CZ3 3.86Å; Y18-W374 AromaticContact CE2-CH2 3.56Å; Y18-W374 HydrophobicContact CE2-CH2 3.56Å; Y18-W374 HydrophobicContact CE2-CZ2 4.32Å; Y18-W374 HydrophobicContact CE2-CZ3 4.14Å; Y18-E384 CarbonylContact O-C 3.54Å; Y18-E384 WeakPolarHBondContact O-CA 2.99Å; Y18-I385 HydrophobicContact CD2-CD1 3.97Å; Y18-I385 HydrophobicContact CD2-CG1 4.11Å; Y18-I385 HydrophobicContact CG-CD1 4.43Å; Y18-I385 HydrophobicContact CG-CG1 4.38Å; Y18-I385 PolarHBondContact N-O 3.43Å; Y18-I385 PolarHBondContact O-N 2.97Å
19R95.6Very high79Confident115 Ų11587.5 Ų87.543%0.43444%0.435SS..EExtended strand (participates in β ladder)trans-127.4142.6-175.6-176171.5175.2171.4-9.6111.2E21 S382 L383 E384R19-E21 IonicContact CZ-OE1 3.69Å; R19-E21 IonicContact NE-OE1 3.39Å; R19-E21 IonicContact NH2-OE1 3.66Å; R19-E21 PolarHBondContact NH2-OE1 3.33Å; R19-S382 PolarHBondContact NE-OG 3.18Å; R19-S382 PolarHBondContact NH2-OG 3.35Å; R19-L383 CarbonylContact C-O 3.53Å; R19-L383 WeakPolarHBondContact CA-O 3.3Å; R19-E384 HydrophobicContact CB-CG 4.12Å; R19-E384 HydrophobicContact CG-CG 3.91Å; R19-E384 IonicContact NE-OE1 2.8Å; R19-E384 IonicContact NH1-OE1 3.2Å
20Y96.7Very high81.9Confident25 Ų2582.5 Ų82.510%0.09840%0.401CS..EExtended strand (participates in β ladder)trans-119.8130.8168173.1-107.7000108.9V43 Q70 I72 F81 S382 L383Y20-V43 HydrophobicContact CE1-CG2 4.35Å; Y20-Q70 PolarHBondContact OH-OE1 3.08Å; Y20-I72 HydrophobicContact CD1-CD1 3.67Å; Y20-I72 HydrophobicContact CD1-CG2 4.34Å; Y20-I72 HydrophobicContact CD2-CD1 4.3Å; Y20-I72 HydrophobicContact CD2-CG2 4.33Å; Y20-I72 HydrophobicContact CE1-CD1 4.3Å; Y20-I72 HydrophobicContact CE1-CG2 3.95Å; Y20-I72 HydrophobicContact CE2-CG2 3.96Å; Y20-I72 HydrophobicContact CG-CD1 3.67Å; Y20-F81 HydrophobicContact CD2-CB 3.66Å; Y20-F81 HydrophobicContact CG-CB 4.07Å; Y20-S382 WeakPolarHBondContact O-CA 3.25Å; Y20-L383 HydrophobicContact CD1-CB 4.41Å; Y20-L383 PolarHBondContact N-O 3.31Å; Y20-L383 PolarHBondContact O-N 3.3Å
21E95.4Very high84.7Confident124 Ų12474.9 Ų74.958%0.57936%0.361SS*.EExtended strand (participates in β ladder)trans-106.3121.2173.1-67.8-171171.900109.7R19R19-E21 IonicContact CZ-OE1 3.69Å; R19-E21 IonicContact NE-OE1 3.39Å; R19-E21 IonicContact NH2-OE1 3.66Å; R19-E21 PolarHBondContact NH2-OE1 3.33Å
22S92.1Very high87.2Confident3 Ų370.5 Ų70.52%0.02132%0.324CS..  trans-93.1149.6-178.9-153.60000109.4W24 L26 N381S22-W24 WeakPolarHBondContact CB-O 3.23Å; S22-W24 PolarHBondContact O-N 3.02Å; S22-W24 PolarHBondContact OG-NE1 3.48Å; S22-L26 WeakPolarHBondContact OG-CD2 3.28Å; S22-N381 VanDerWaalsContact CB-O 3.28Å; S22-N381 WeakPolarHBondContact CB-O 2.97Å; S22-N381 PolarHBondContact N-O 3.44Å; S22-N381 WeakPolarHBondContact O-CB 3.29Å; S22-N381 PolarHBondContact O-ND2 2.86Å
23P89.2Confident89.4Confident97 Ų9761.9 Ų61.963%0.6328%0.284SS*.SBendtrans-68.810177.326.6-34.2000115.1
24W89.9Confident91.1Very high30 Ų3055.2 Ų55.211%0.11425%0.253CS..SBendtrans-169.1160.4-163.441.4-3.6000110.3S22 S45 I47 A66 R68 N381S22-W24 WeakPolarHBondContact CB-O 3.23Å; S22-W24 PolarHBondContact O-N 3.02Å; S22-W24 PolarHBondContact OG-NE1 3.48Å; W24-S45 VanDerWaalsContact CZ3-OG 3.27Å; W24-S45 WeakPolarHBondContact CZ3-OG 3.14Å; W24-I47 HydrophobicContact CE3-CD1 3.39Å; W24-I47 HydrophobicContact CE3-CG1 3.68Å; W24-I47 HydrophobicContact CZ3-CD1 3.49Å; W24-I47 VanDerWaalsContact CZ3-CD1 3.49Å; W24-I47 HydrophobicContact CZ3-CG1 4.12Å; W24-A66 WeakPolarHBondContact CH2-O 3.3Å; W24-A66 WeakPolarHBondContact CZ3-O 3.36Å; W24-R68 HydrophobicContact CH2-CB 3.13Å; W24-R68 VanDerWaalsContact CH2-CD 3.45Å; W24-R68 HydrophobicContact CH2-CG 3.4Å; W24-R68 HydrophobicContact CZ2-CB 3.54Å; W24-R68 HydrophobicContact CZ2-CG 4.08Å; W24-R68 HydrophobicContact CZ3-CB 4.24Å; W24-R68 HydrophobicContact CZ3-CG 4.38Å; W24-R68 VanDerWaalsContact CZ3-N 3.32Å; W24-N381 VanDerWaalsContact O-CA 3.28Å; W24-N381 WeakPolarHBondContact O-CA 3.42Å; W24-N381 VanDerWaalsContact O-CB 3.24Å; W24-N381 WeakPolarHBondContact O-CB 3.49Å
25N90.8Very high92.4Very high80 Ų8049.9 Ų49.943%0.42824%0.243SC..  trans-63.8143.1176.5-68.7-16.9000111S45 F46 N380N25-S45 CarbonylContact O-C 3.52Å; N25-S45 WeakPolarHBondContact O-CA 3.09Å; N25-F46 HydrophobicContact CB-CB 4.32Å; N25-F46 PolarHBondContact O-N 3.18Å; N25-N380 CarbonylContact C-O 3.57Å; N25-N380 VanDerWaalsContact CA-O 3.23Å; N25-N380 WeakPolarHBondContact CA-O 3.25Å
26L91.9Very high93.2Very high1 Ų148.6 Ų48.61%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-104.2139179-64.8-178.1000109.4S22 V43 N363 C378 N380 L383S22-L26 WeakPolarHBondContact OG-CD2 3.28Å; L26-V43 HydrophobicContact CD2-CB 3.99Å; L26-V43 HydrophobicContact CD2-CG2 4.12Å; L26-N363 PolarHBondContact O-ND2 2.97Å; L26-C378 HydrophobicContact CB-CB 4.13Å; L26-C378 HydrophobicContact CD1-CB 4.39Å; L26-N380 PolarHBondContact N-O 3.47Å; L26-L383 HydrophobicContact CD1-CB 3.91Å
27Y91.1Very high93.5Very high57 Ų5744.8 Ų44.822%0.22422%0.224CC..EExtended strand (participates in β ladder)trans-123.9-65.7174.1176.3-97000111.3G44 F46 A93 Q364 C378Y27-G44 PolarHBondContact N-O 3.16Å; Y27-F46 HydrophobicContact CD2-CD2 4.33Å; Y27-F46 HydrophobicContact CG-CD2 4.16Å; Y27-A93 WeakPolarHBondContact CD1-O 3.22Å; Y27-Q364 WeakPolarHBondContact O-CG 3.28Å; Y27-C378 PolarHBondContact O-SG 3.42Å
28A93.3Very high93.6Very high2 Ų246 Ų462%0.01722%0.224CC..EExtended strand (participates in β ladder)trans-89.1147.1-179.700000111.7G44 A93 L96A28-G44 PolarHBondContact O-N 3.35Å; A28-A93 HydrophobicContact CB-CB 4.45Å; A28-A93 WeakPolarHBondContact CB-O 3.08Å; A28-L96 HydrophobicContact CB-CB 4.49Å; A28-L96 HydrophobicContact CB-CD1 4.05Å; A28-L96 HydrophobicContact CB-CG 3.75Å
29M96.2Very high93.6Very high3 Ų345.2 Ų45.22%0.01522%0.222CC..EExtended strand (participates in β ladder)trans-151.8158.9171.767179.5-176.900111.6I41 A42 V43 Q364 H366 A376 C378 L383M29-I41 HydrophobicContact CB-CG2 4.44Å; M29-A42 CarbonylContact C-O 3.53Å; M29-A42 WeakPolarHBondContact CA-O 3.44Å; M29-V43 HydrophobicContact CB-CG1 4.25Å; M29-Q364 VanDerWaalsContact CE-C 3.44Å; M29-Q364 HydrophobicContact CE-CB 3.74Å; M29-Q364 WeakPolarHBondContact CE-O 3.47Å; M29-Q364 HydrophobicContact CG-CB 4.07Å; M29-Q364 HydrophobicContact SD-CB 4.44Å; M29-H366 HydrophobicContact CE-CB 4.11Å; M29-H366 PolarHBondContact O-CD2 3.45Å; M29-H366 PolarHBondContact O-NE2 2.72Å; M29-H366 VanDerWaalsContact O-NE2 3.13Å; M29-A376 HydrophobicContact CE-CB 3.97Å; M29-A376 WeakPolarHBondContact CE-O 3.5Å; M29-A376 HydrophobicContact SD-CB 4.05Å; M29-C378 HydrophobicContact SD-CB 3.79Å; M29-L383 HydrophobicContact SD-CD1 3.32Å; M29-L383 WeakPolarHBondContact SD-CD1 3.36Å
30N97.6Very high93.7Very high20 Ų2040 Ų4011%0.10720%0.202CC..EExtended strand (participates in β ladder)trans-158.6140.4170.2-162.8-113.6000113I41 A42 L96 M97 W98N30-I41 WeakPolarHBondContact O-CA 3.5Å; N30-A42 PolarHBondContact N-O 2.93Å; N30-A42 PolarHBondContact O-N 2.87Å; N30-L96 HydrophobicContact CB-CB 4.25Å; N30-L96 VanDerWaalsContact CB-O 3.24Å; N30-L96 WeakPolarHBondContact CB-O 3.47Å; N30-M97 WeakPolarHBondContact OD1-CA 3.26Å; N30-W98 PolarHBondContact O-NE1 3.19Å; N30-W98 PolarHBondContact OD1-N 3.24Å
31W97.3Very high93.7Very high8 Ų838.8 Ų38.83%0.0320%0.197CC..EExtended strand (participates in β ladder)trans-72.6134.3173.1-7097.4000111.4F39 I41 W98 H366 A368 W374 A376 I385W31-F39 HydrophobicContact CH2-CD1 4.22Å; W31-F39 AromaticContact CZ3-CD1 3.97Å; W31-F39 HydrophobicContact CZ3-CD1 3.97Å; W31-I41 HydrophobicContact CD2-CD1 4.01Å; W31-I41 HydrophobicContact CD2-CG1 3.82Å; W31-I41 HydrophobicContact CE3-CD1 3.76Å; W31-I41 HydrophobicContact CE3-CG1 3.45Å; W31-I41 VanDerWaalsContact CE3-CG1 3.45Å; W31-I41 HydrophobicContact CG-CG1 4.5Å; W31-I41 HydrophobicContact CH2-CD1 3.71Å; W31-I41 HydrophobicContact CH2-CG1 4.35Å; W31-I41 HydrophobicContact CZ2-CD1 3.93Å; W31-I41 HydrophobicContact CZ3-CD1 3.59Å; W31-I41 HydrophobicContact CZ3-CG1 3.74Å; W31-W98 VanDerWaalsContact O-CD1 3.27Å; W31-H366 PolarHBondContact NE1-O 2.72Å; W31-A368 HydrophobicContact CD2-CB 3.66Å; W31-A368 HydrophobicContact CE3-CB 4.05Å; W31-A368 HydrophobicContact CG-CB 3.97Å; W31-A368 HydrophobicContact CH2-CB 4.32Å; W31-A368 HydrophobicContact CZ2-CB 3.98Å; W31-A368 HydrophobicContact CZ3-CB 4.37Å; W31-W374 HydrophobicContact CH2-CB 4.35Å; W31-W374 HydrophobicContact CZ2-CB 4.41Å; W31-A376 HydrophobicContact CZ2-CB 3.57Å; W31-A376 VanDerWaalsContact NE1-CB 3.28Å; W31-I385 HydrophobicContact CH2-CB 3.96Å; W31-I385 HydrophobicContact CH2-CD1 4.09Å; W31-I385 HydrophobicContact CH2-CG2 3.43Å; W31-I385 VanDerWaalsContact CH2-CG2 3.43Å; W31-I385 HydrophobicContact CZ2-CB 4.14Å; W31-I385 HydrophobicContact CZ2-CG2 3.55Å; W31-I385 HydrophobicContact CZ3-CG2 4.47Å
32S96.6Very high93.9Very high11 Ų1132.9 Ų32.98%0.07717%0.17CC..  trans-66.5134.2162.3171.90000109.7R34 R40S32-R34 PolarHBondContact OG-N 3.3Å; S32-R40 VanDerWaalsContact CB-NE 3.34Å; S32-R40 VanDerWaalsContact CB-O 3.32Å; S32-R40 WeakPolarHBondContact CB-O 3.48Å; S32-R40 PolarHBondContact N-O 2.71Å; S32-R40 PolarHBondContact OG-NE 2.73Å; S32-R40 VanDerWaalsContact OG-NE 3.15Å; S32-R40 PolarHBondContact OG-NH2 3.36Å
33I94.2Very high94.1Very high9 Ų932.9 Ų32.95%0.04617%0.169CC..  trans-106.715.9174.276167.3000112.6P100 V102 Q369 N370I33-P100 VanDerWaalsContact CD1-C 3.5Å; I33-P100 HydrophobicContact CD1-CB 3.91Å; I33-V102 HydrophobicContact CD1-CG1 3.61Å; I33-V102 HydrophobicContact CG1-CG1 4.46Å; I33-Q369 HydrophobicContact CG2-CB 3.84Å; I33-Q369 HydrophobicContact CG2-CG 4.15Å; I33-N370 VanDerWaalsContact C-ND2 3.27Å; I33-N370 PolarHBondContact O-ND2 3.33Å
34R92.3Very high94.4Very high53 Ų5328.3 Ų28.320%0.214%0.14CC..  trans-75.2127.4176.4-150.4-168.5161.883.67.3109.8S32 D36 Q37 G104 C106S32-R34 PolarHBondContact OG-N 3.3Å; R34-D36 VanDerWaalsContact C-N 3.3Å; R34-D36 WeakPolarHBondContact CD-OD1 3.45Å; R34-D36 WeakPolarHBondContact CG-OD1 3.43Å; R34-D36 IonicContact CZ-OD1 3.71Å; R34-D36 IonicContact NE-OD1 2.68Å; R34-D36 PolarHBondContact NE-OD1 2.92Å; R34-D36 IonicContact NE-OD2 2.86Å; R34-D36 PolarHBondContact NE-OD2 2.76Å; R34-D36 PolarHBondContact O-N 3.19Å; R34-Q37 HydrophobicContact CB-CB 4.09Å; R34-Q37 HydrophobicContact CB-CG 4.14Å; R34-Q37 HydrophobicContact CG-CG 4.45Å; R34-Q37 PolarHBondContact O-N 3.39Å; R34-Q37 VanDerWaalsContact O-N 3.08Å; R34-G104 PolarHBondContact NH2-O 2.79Å; R34-C106 PolarHBondContact NH1-O 3.32Å
35P90.6Very high94.5Very high76 Ų7627 Ų2749%0.49414%0.135SC..THydrogen-bonded Turntrans-60.9-31.4-173.6-28.336.5000115.7Q37 V102P35-Q37 VanDerWaalsContact C-N 3.29Å; P35-V102 WeakPolarHBondContact CG-O 3.26Å
36D91.3Very high94.4Very high93 Ų9326.7 Ų26.750%0.49713%0.13SC..THydrogen-bonded Turntrans-82.3-4.4178.959.3-55.8000113.4R34R34-D36 VanDerWaalsContact C-N 3.3Å; R34-D36 WeakPolarHBondContact CD-OD1 3.45Å; R34-D36 WeakPolarHBondContact CG-OD1 3.43Å; R34-D36 IonicContact CZ-OD1 3.71Å; R34-D36 IonicContact NE-OD1 2.68Å; R34-D36 PolarHBondContact NE-OD1 2.92Å; R34-D36 IonicContact NE-OD2 2.86Å; R34-D36 PolarHBondContact NE-OD2 2.76Å; R34-D36 PolarHBondContact O-N 3.19Å
37Q93.2Very high93.8Very high47 Ų4727.9 Ų27.922%0.2214%0.136CC..  trans-122.866-171.9-57.8-68.1-25.500110.8R34 P35 R40R34-Q37 HydrophobicContact CB-CB 4.09Å; R34-Q37 HydrophobicContact CB-CG 4.14Å; R34-Q37 HydrophobicContact CG-CG 4.45Å; R34-Q37 PolarHBondContact O-N 3.39Å; R34-Q37 VanDerWaalsContact O-N 3.08Å; P35-Q37 VanDerWaalsContact C-N 3.29Å; Q37-R40 HydrophobicContact CB-CB 4.19Å; Q37-R40 VanDerWaalsContact CB-CZ 3.49Å; Q37-R40 VanDerWaalsContact CG-CZ 3.43Å; Q37-R40 VanDerWaalsContact CG-NH1 3.32Å
38K94.1Very high92.6Very high88 Ų8832.8 Ų32.838%0.38316%0.161SC..THydrogen-bonded Turntrans-65.3139.9179.6-163.3-174.5174.2-156.10110.8R40 Q73 E76K38-R40 PolarHBondContact O-N 2.85Å; K38-R40 VanDerWaalsContact O-N 3.11Å; K38-Q73 PolarHBondContact O-NE2 3.29Å; K38-E76 WeakPolarHBondContact CD-OE2 3.09Å; K38-E76 IonicContact NZ-OE1 2.73Å; K38-E76 PolarHBondContact NZ-OE1 2.83Å; K38-E76 IonicContact NZ-OE2 3.36Å; K38-E76 PolarHBondContact NZ-OE2 2.91Å
39F95.8Very high90.9Very high8 Ų836.7 Ų36.74%0.03518%0.179CC..THydrogen-bonded Turntrans53.425.9-179.6-60.6-67.2000116.3W31 L74 E76 Q371 W374 I385W31-F39 HydrophobicContact CH2-CD1 4.22Å; W31-F39 AromaticContact CZ3-CD1 3.97Å; W31-F39 HydrophobicContact CZ3-CD1 3.97Å; F39-L74 HydrophobicContact CB-CB 3.53Å; F39-L74 HydrophobicContact CB-CD2 4.38Å; F39-L74 HydrophobicContact CD1-CD2 4.4Å; F39-L74 HydrophobicContact CD2-CB 4.37Å; F39-L74 HydrophobicContact CD2-CD2 3.95Å; F39-L74 HydrophobicContact CE2-CD2 4.25Å; F39-L74 HydrophobicContact CG-CB 4.09Å; F39-L74 HydrophobicContact CG-CD2 4.03Å; F39-L74 PolarHBondContact O-N 2.93Å; F39-E76 HydrophobicContact CD2-CG 4Å; F39-E76 HydrophobicContact CE2-CG 4.01Å; F39-E76 WeakPolarHBondContact CE2-OE1 3.38Å; F39-Q371 VanDerWaalsContact CE1-OE1 3.23Å; F39-W374 AromaticContact CE1-CD1 3.87Å; F39-W374 AromaticContact CE1-CD2 3.89Å; F39-W374 HydrophobicContact CE1-CD2 3.89Å; F39-W374 AromaticContact CE1-CE2 3.78Å; F39-W374 AromaticContact CE1-CG 3.95Å; F39-W374 HydrophobicContact CE1-CG 3.95Å; F39-W374 HydrophobicContact CE1-CZ2 4.4Å; F39-W374 AromaticContact CE1-NE1 3.74Å; F39-W374 HydrophobicContact CZ-CD2 4.49Å; F39-W374 AromaticContact CZ-CE2 3.91Å; F39-W374 HydrophobicContact CZ-CZ2 4.26Å; F39-W374 AromaticContact CZ-NE1 3.75Å; F39-I385 HydrophobicContact CD1-CD1 3.79Å; F39-I385 HydrophobicContact CE1-CD1 4.03Å
40R97.6Very high88.6Confident4 Ų448.4 Ų48.42%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-88131.3175.2-174.9177.969.3172.57.6110.8S32 Q37 K38 I71 I72 Q73 W98 D108S32-R40 VanDerWaalsContact CB-NE 3.34Å; S32-R40 VanDerWaalsContact CB-O 3.32Å; S32-R40 WeakPolarHBondContact CB-O 3.48Å; S32-R40 PolarHBondContact N-O 2.71Å; S32-R40 PolarHBondContact OG-NE 2.73Å; S32-R40 VanDerWaalsContact OG-NE 3.15Å; S32-R40 PolarHBondContact OG-NH2 3.36Å; Q37-R40 HydrophobicContact CB-CB 4.19Å; Q37-R40 VanDerWaalsContact CB-CZ 3.49Å; Q37-R40 VanDerWaalsContact CG-CZ 3.43Å; Q37-R40 VanDerWaalsContact CG-NH1 3.32Å; K38-R40 PolarHBondContact O-N 2.85Å; K38-R40 VanDerWaalsContact O-N 3.11Å; R40-I71 HydrophobicContact CG-CG2 3.75Å; R40-I72 CarbonylContact C-O 3.58Å; R40-I72 WeakPolarHBondContact CA-O 3.44Å; R40-Q73 HydrophobicContact CB-CG 4.31Å; R40-W98 HydrophobicContact CG-CZ2 4.4Å; R40-D108 IonicContact CZ-OD1 2.88Å; R40-D108 IonicContact CZ-OD2 3.67Å; R40-D108 IonicContact NH1-OD1 3.34Å; R40-D108 IonicContact NH1-OD2 2.79Å; R40-D108 PolarHBondContact NH1-OD2 3.39Å; R40-D108 VanDerWaalsContact NH2-CG 3.25Å; R40-D108 IonicContact NH2-OD1 3.84Å; R40-D108 PolarHBondContact NH2-OD1 3.15Å; R40-D108 IonicContact NH2-OD2 3.86Å; R40-D108 PolarHBondContact NH2-OD2 3.35Å
41I98.1Very high86Confident1 Ų150.5 Ų50.51%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-133.8136.5-177.4-59.3171.5000108.4M29 N30 W31 V43 I72 F81 A376 L383 I385M29-I41 HydrophobicContact CB-CG2 4.44Å; N30-I41 WeakPolarHBondContact O-CA 3.5Å; W31-I41 HydrophobicContact CD2-CD1 4.01Å; W31-I41 HydrophobicContact CD2-CG1 3.82Å; W31-I41 HydrophobicContact CE3-CD1 3.76Å; W31-I41 HydrophobicContact CE3-CG1 3.45Å; W31-I41 VanDerWaalsContact CE3-CG1 3.45Å; W31-I41 HydrophobicContact CG-CG1 4.5Å; W31-I41 HydrophobicContact CH2-CD1 3.71Å; W31-I41 HydrophobicContact CH2-CG1 4.35Å; W31-I41 HydrophobicContact CZ2-CD1 3.93Å; W31-I41 HydrophobicContact CZ3-CD1 3.59Å; W31-I41 HydrophobicContact CZ3-CG1 3.74Å; I41-V43 HydrophobicContact CG2-CG1 3.89Å; I41-I72 HydrophobicContact CB-CD1 4.47Å; I41-I72 HydrophobicContact CB-CG1 4.03Å; I41-I72 PolarHBondContact N-O 3.11Å; I41-I72 WeakPolarHBondContact O-CG1 3.42Å; I41-I72 PolarHBondContact O-N 2.8Å; I41-F81 HydrophobicContact CD1-CE1 4.25Å; I41-F81 HydrophobicContact CD1-CZ 4.33Å; I41-A376 HydrophobicContact CD1-CB 4.43Å; I41-L383 HydrophobicContact CD1-CD2 3.79Å; I41-L383 HydrophobicContact CG2-CD2 4.25Å; I41-I385 HydrophobicContact CD1-CG2 3.7Å
42A98.1Very high83.1Confident0 Ų053 Ų530%026%0.255CS..EExtended strand (participates in β ladder)trans-91.3132.9164.600000108.4M29 N30 V69 Q70 I71 L96 W98 L110M29-A42 CarbonylContact C-O 3.53Å; M29-A42 WeakPolarHBondContact CA-O 3.44Å; N30-A42 PolarHBondContact N-O 2.93Å; N30-A42 PolarHBondContact O-N 2.87Å; A42-V69 HydrophobicContact CB-CG1 4.48Å; A42-Q70 CarbonylContact C-O 3.59Å; A42-Q70 WeakPolarHBondContact CA-O 3.28Å; A42-I71 HydrophobicContact CB-CD1 3.73Å; A42-L96 HydrophobicContact CB-CD1 4.21Å; A42-W98 HydrophobicContact CB-CZ2 4Å; A42-L110 HydrophobicContact CB-CD1 3.84Å; A42-L110 HydrophobicContact CB-CD2 3.89Å
43V97.4Very high80.3Confident2 Ų261 Ų611%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-124.8138175.7-62.80000109.9Y20 L26 M29 I41 V69 Q70 I72 L383Y20-V43 HydrophobicContact CE1-CG2 4.35Å; L26-V43 HydrophobicContact CD2-CB 3.99Å; L26-V43 HydrophobicContact CD2-CG2 4.12Å; M29-V43 HydrophobicContact CB-CG1 4.25Å; I41-V43 HydrophobicContact CG2-CG1 3.89Å; V43-V69 CarbonylContact O-C 3.57Å; V43-V69 VanDerWaalsContact O-CA 3.3Å; V43-V69 WeakPolarHBondContact O-CA 3.4Å; V43-Q70 HydrophobicContact CG2-CB 3.94Å; V43-Q70 PolarHBondContact N-O 2.95Å; V43-Q70 PolarHBondContact O-N 2.77Å; V43-I72 HydrophobicContact CG1-CD1 4.27Å; V43-I72 HydrophobicContact CG2-CG2 4.47Å; V43-L383 HydrophobicContact CG1-CD1 4.34Å; V43-L383 HydrophobicContact CG1-CD2 4.13Å
44G95.5Very high77.7Confident1 Ų163.2 Ų63.21%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-113.7134.8-179.200000110.8Y27 A28Y27-G44 PolarHBondContact N-O 3.16Å; A28-G44 PolarHBondContact O-N 3.35Å
45S92.4Very high75Confident3 Ų366.8 Ų66.82%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-70.2154.9177.563.50000113.8W24 N25 A67 R68W24-S45 VanDerWaalsContact CZ3-OG 3.27Å; W24-S45 WeakPolarHBondContact CZ3-OG 3.14Å; N25-S45 CarbonylContact O-C 3.52Å; N25-S45 WeakPolarHBondContact O-CA 3.09Å; S45-A67 VanDerWaalsContact OG-CA 3.27Å; S45-A67 WeakPolarHBondContact OG-CA 3.27Å; S45-A67 WeakPolarHBondContact OG-CB 3.46Å; S45-R68 PolarHBondContact N-O 3Å; S45-R68 PolarHBondContact OG-N 3.2Å; S45-R68 PolarHBondContact OG-O 2.95Å; S45-R68 VanDerWaalsContact OG-O 3.14Å
46F87.7Confident72.5Confident73 Ų7365.7 Ų65.732%0.3234%0.338SS..  trans-121.398.2165.3-168.7-104.7000109.7N25 Y27 E48 P92N25-F46 HydrophobicContact CB-CB 4.32Å; N25-F46 PolarHBondContact O-N 3.18Å; Y27-F46 HydrophobicContact CD2-CD2 4.33Å; Y27-F46 HydrophobicContact CG-CD2 4.16Å; F46-E48 HydrophobicContact CD1-CG 4.09Å; F46-E48 HydrophobicContact CE1-CG 3.38Å; F46-E48 VanDerWaalsContact CE1-OE1 3.23Å; F46-E48 WeakPolarHBondContact CE1-OE1 3.17Å; F46-E48 HydrophobicContact CZ-CG 3.78Å; F46-P92 HydrophobicContact CD2-CB 3.89Å; F46-P92 HydrophobicContact CD2-CG 4.21Å; F46-P92 HydrophobicContact CE2-CB 4.48Å
47I79.8Confident69.7Low26 Ų2673.3 Ų73.313%0.13336%0.36CS..  trans-114.7117.8172.1-56.7-178.9000106.6W24 E49 T65W24-I47 HydrophobicContact CE3-CD1 3.39Å; W24-I47 HydrophobicContact CE3-CG1 3.68Å; W24-I47 HydrophobicContact CZ3-CD1 3.49Å; W24-I47 VanDerWaalsContact CZ3-CD1 3.49Å; W24-I47 HydrophobicContact CZ3-CG1 4.12Å; I47-E49 HydrophobicContact CG2-CB 3.92Å; I47-E49 HydrophobicContact CG2-CG 4.04Å; I47-E49 PolarHBondContact O-N 2.96Å; I47-T65 HydrophobicContact CD1-CG2 4.38Å; I47-T65 WeakPolarHBondContact CD1-O 3.2Å; I47-T65 HydrophobicContact CG2-CG2 4.49Å
48E65.9Low66.9Low160 Ų16077.7 Ų77.775%0.74838%0.384SS*.  trans-79.6-2-178.5-64.1-173.7157.700113.7F46 Y50F46-E48 HydrophobicContact CD1-CG 4.09Å; F46-E48 HydrophobicContact CE1-CG 3.38Å; F46-E48 VanDerWaalsContact CE1-OE1 3.23Å; F46-E48 WeakPolarHBondContact CE1-OE1 3.17Å; F46-E48 HydrophobicContact CZ-CG 3.78Å; E48-Y50 PolarHBondContact O-N 2.97Å
49E57.8Low64.5Low84 Ų8482.3 Ų82.339%0.39340%0.404SS..  trans-70.3116.1-174.9-66.3-175.2160.500111.7I47 S51 V54 T65I47-E49 HydrophobicContact CG2-CB 3.92Å; I47-E49 HydrophobicContact CG2-CG 4.04Å; I47-E49 PolarHBondContact O-N 2.96Å; E49-S51 CarbonylContact O-C 3.55Å; E49-S51 PolarHBondContact O-N 3.28Å; E49-V54 VanDerWaalsContact CD-CG2 3.47Å; E49-V54 WeakPolarHBondContact OE2-CB 3.02Å; E49-V54 WeakPolarHBondContact OE2-CG2 3.39Å; E49-T65 VanDerWaalsContact OE2-CG2 3.32Å; E49-T65 WeakPolarHBondContact OE2-CG2 3.49Å
50Y48.2Very low61.8Low249 Ų24990.7 Ų90.798%0.97645%0.449SS*.SBendtrans-60.7-11.3-177.5-138.2-94.5000114.4E48E48-Y50 PolarHBondContact O-N 2.97Å
51S41.3Very low59.1Low64 Ų6498 Ų9845%0.44848%0.484SS..SBendtrans-121.2113.2169.756.90000108.1E49 K53E49-S51 CarbonylContact O-C 3.55Å; E49-S51 PolarHBondContact O-N 3.28Å; S51-K53 PolarHBondContact O-N 3.34Å
52N38.3Very low56.3Low60 Ų60107.9 Ų107.932%0.32153%0.527SS..SBendtrans-59.829.1168.7-84.7-34000114.2A67 P90N52-A67 PolarHBondContact OD1-N 2.78Å; N52-P90 PolarHBondContact ND2-O 2.85Å
53K36.6Very low53.9Low179 Ų179113.9 Ų113.978%0.77856%0.559SS**  trans-151.494.5174-70.4-169.7178.2-179.50108.4S51S51-K53 PolarHBondContact O-N 3.34Å
54V39.6Very low51.7Low56 Ų56117.9 Ų117.934%0.33958%0.58SS.*  trans-99.898.7156.51720000108.1E49 G56 T65E49-V54 VanDerWaalsContact CD-CG2 3.47Å; E49-V54 WeakPolarHBondContact OE2-CB 3.02Å; E49-V54 WeakPolarHBondContact OE2-CG2 3.39Å; V54-G56 PolarHBondContact O-N 3.45Å; V54-T65 PolarHBondContact N-OG1 3.08Å; V54-T65 PolarHBondContact O-OG1 3.17Å
55S36.5Very low49.8Very low128 Ų128119.3 Ų119.390%0.89559%0.588SS**  trans-76.576.2162.7-143.60000107.7
56G38.3Very low48.5Very low53 Ų53119.8 Ų119.855%0.54659%0.592SS.*  trans-113.2103.9177.700000110.3V54 L58V54-G56 PolarHBondContact O-N 3.45Å; G56-L58 PolarHBondContact O-N 3.17Å
57R31.6Very low47.8Very low254 Ų254116.3 Ų116.396%0.95858%0.577SS**  trans-69.6110174.4-82.3-176.6178.1-179.2-1110.6
58L35.4Very low48.2Very low138 Ų138117.3 Ų117.372%0.72358%0.579SS**SBendtrans-131.8109.3150.4-83.6163.9000106.8G56G56-L58 PolarHBondContact O-N 3.17Å
59F43.2Very low49.5Very low186 Ų186109.8 Ų109.882%0.81654%0.544SS*.SBendtrans57.987.2171.9-59-84.6000117Q61F59-Q61 PolarHBondContact O-N 3.3Å
60D38.3Very low51.3Low183 Ų183106.2 Ų106.298%0.97953%0.528SS*.SBendtrans45.614153.1-118.14.4000121
61Q41.4Very low53.7Low159 Ų15994.5 Ų94.574%0.74348%0.482SS*.  trans-127.6122170.4-101.5173-15.500109.2F59 L63F59-Q61 PolarHBondContact O-N 3.3Å; Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 2.88Å
62F40Very low56.3Low207 Ų20791.4 Ų91.491%0.90846%0.46SS*.  trans-63.794.3167.3-76.1-91.6000108.5D64F62-D64 VanDerWaalsContact C-N 3.28Å; F62-D64 PolarHBondContact O-N 3.26Å
63L46.5Very low59.1Low127 Ų12790.8 Ų90.867%0.66546%0.456SS*.  trans-75.485.9166.9-92.7150.1000108Q61 T65Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 2.88Å; L63-T65 PolarHBondContact O-N 3.38Å; L63-T65 VanDerWaalsContact O-N 3.14Å; L63-T65 PolarHBondContact O-OG1 2.8Å
64D52.4Low62Low86 Ų8682.8 Ų82.846%0.4642%0.421SS..  trans-63.4109.2169.9-175.322.2000109.1F62 A66 R68F62-D64 VanDerWaalsContact C-N 3.28Å; F62-D64 PolarHBondContact O-N 3.26Å; D64-A66 VanDerWaalsContact C-N 3.34Å; D64-R68 VanDerWaalsContact CG-NH2 3.3Å; D64-R68 IonicContact OD2-CZ 3.29Å; D64-R68 IonicContact OD2-NH2 2.93Å; D64-R68 PolarHBondContact OD2-NH2 3.37Å
65T54.7Low64.7Low30 Ų3082.9 Ų82.918%0.18442%0.42CS..  trans-93.216.5-168.1-4.70000112.9I47 E49 V54 L63I47-T65 HydrophobicContact CD1-CG2 4.38Å; I47-T65 WeakPolarHBondContact CD1-O 3.2Å; I47-T65 HydrophobicContact CG2-CG2 4.49Å; E49-T65 VanDerWaalsContact OE2-CG2 3.32Å; E49-T65 WeakPolarHBondContact OE2-CG2 3.49Å; V54-T65 PolarHBondContact N-OG1 3.08Å; V54-T65 PolarHBondContact O-OG1 3.17Å; L63-T65 PolarHBondContact O-N 3.38Å; L63-T65 VanDerWaalsContact O-N 3.14Å; L63-T65 PolarHBondContact O-OG1 2.8Å
66A64.9Low67.3Low13 Ų1380.9 Ų80.911%0.10740%0.396CS..  trans-70.3135.1174.700000110.1W24 D64 R68W24-A66 WeakPolarHBondContact CH2-O 3.3Å; W24-A66 WeakPolarHBondContact CZ3-O 3.36Å; D64-A66 VanDerWaalsContact C-N 3.34Å; A66-R68 PolarHBondContact O-N 2.9Å
67A72.7Confident69.8Low0 Ų087.5 Ų87.50%041%0.413CS..  trans-52.2136.1168.300000110.1S45 N52 H89S45-A67 VanDerWaalsContact OG-CA 3.27Å; S45-A67 WeakPolarHBondContact OG-CA 3.27Å; S45-A67 WeakPolarHBondContact OG-CB 3.46Å; N52-A67 PolarHBondContact OD1-N 2.78Å; A67-H89 WeakPolarHBondContact CB-O 3.48Å; A67-H89 PolarHBondContact O-N 2.65Å
68R88.4Confident72.7Confident48 Ų4878.1 Ų78.118%0.18139%0.389CS..EExtended strand (participates in β ladder)trans-137.2164.5176.3-54.3155.1179.3169.5-2.6110.8W24 S45 D64 A66 F87 D88W24-R68 HydrophobicContact CH2-CB 3.13Å; W24-R68 VanDerWaalsContact CH2-CD 3.45Å; W24-R68 HydrophobicContact CH2-CG 3.4Å; W24-R68 HydrophobicContact CZ2-CB 3.54Å; W24-R68 HydrophobicContact CZ2-CG 4.08Å; W24-R68 HydrophobicContact CZ3-CB 4.24Å; W24-R68 HydrophobicContact CZ3-CG 4.38Å; W24-R68 VanDerWaalsContact CZ3-N 3.32Å; S45-R68 PolarHBondContact N-O 3Å; S45-R68 PolarHBondContact OG-N 3.2Å; S45-R68 PolarHBondContact OG-O 2.95Å; S45-R68 VanDerWaalsContact OG-O 3.14Å; D64-R68 VanDerWaalsContact CG-NH2 3.3Å; D64-R68 IonicContact OD2-CZ 3.29Å; D64-R68 IonicContact OD2-NH2 2.93Å; D64-R68 PolarHBondContact OD2-NH2 3.37Å; A66-R68 PolarHBondContact O-N 2.9Å; R68-F87 VanDerWaalsContact CA-O 3.32Å; R68-F87 WeakPolarHBondContact CA-O 3.49Å; R68-F87 WeakPolarHBondContact CB-O 3.39Å; R68-D88 VanDerWaalsContact CG-OD1 3.29Å; R68-D88 WeakPolarHBondContact CG-OD1 3.49Å; R68-D88 IonicContact NE-OD1 3.48Å; R68-D88 PolarHBondContact NE-OD1 2.92Å
69V94.1Very high75.4Confident1 Ų172.1 Ų72.11%0.00636%0.361CS..EExtended strand (participates in β ladder)trans-111.3134.2164.5175.30000107.9A42 V43 I71 Q86 F87 H89 L96 L110A42-V69 HydrophobicContact CB-CG1 4.48Å; V43-V69 CarbonylContact O-C 3.57Å; V43-V69 VanDerWaalsContact O-CA 3.3Å; V43-V69 WeakPolarHBondContact O-CA 3.4Å; V69-I71 HydrophobicContact CG1-CD1 4.27Å; V69-Q86 VanDerWaalsContact O-CA 3.3Å; V69-Q86 WeakPolarHBondContact O-CA 3.33Å; V69-F87 HydrophobicContact CB-CD1 4.24Å; V69-F87 HydrophobicContact CB-CD2 4.33Å; V69-F87 HydrophobicContact CB-CE1 3.64Å; V69-F87 HydrophobicContact CB-CE2 3.72Å; V69-F87 HydrophobicContact CB-CZ 3.37Å; V69-F87 HydrophobicContact CG1-CE1 3.6Å; V69-F87 HydrophobicContact CG1-CE2 4.38Å; V69-F87 HydrophobicContact CG1-CZ 3.54Å; V69-F87 HydrophobicContact CG2-CE2 3.92Å; V69-F87 HydrophobicContact CG2-CZ 3.84Å; V69-F87 PolarHBondContact N-O 2.9Å; V69-F87 PolarHBondContact O-N 2.81Å; V69-H89 HydrophobicContact CG2-CB 4.21Å; V69-L96 HydrophobicContact CG1-CD1 4.18Å; V69-L96 HydrophobicContact CG1-CD2 4.45Å; V69-L96 HydrophobicContact CG2-CD1 4.5Å; V69-L96 HydrophobicContact CG2-CD2 4Å; V69-L110 HydrophobicContact CG1-CD2 4.03Å
70Q95.8Very high77.9Confident10 Ų1069.5 Ų69.55%0.04735%0.351CS..EExtended strand (participates in β ladder)trans-114.4142.4173.8-70.6-180-33.300109.9Y20 A42 V43 I72 N83 Q86Y20-Q70 PolarHBondContact OH-OE1 3.08Å; A42-Q70 CarbonylContact C-O 3.59Å; A42-Q70 WeakPolarHBondContact CA-O 3.28Å; V43-Q70 HydrophobicContact CG2-CB 3.94Å; V43-Q70 PolarHBondContact N-O 2.95Å; V43-Q70 PolarHBondContact O-N 2.77Å; Q70-I72 HydrophobicContact CB-CG2 4.45Å; Q70-N83 PolarHBondContact NE2-ND2 3.38Å; Q70-N83 VanDerWaalsContact NE2-ND2 3.13Å; Q70-Q86 HydrophobicContact CG-CB 3.87Å
71I97.3Very high80.7Confident2 Ų261.7 Ų61.71%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-104.9109.7172.3-47.1-52.8000106.8R40 A42 V69 T84 A85 W98 L110 L122R40-I71 HydrophobicContact CG-CG2 3.75Å; A42-I71 HydrophobicContact CB-CD1 3.73Å; V69-I71 HydrophobicContact CG1-CD1 4.27Å; I71-T84 PolarHBondContact O-N 2.85Å; I71-T84 PolarHBondContact O-OG1 2.93Å; I71-A85 HydrophobicContact CB-CB 4.13Å; I71-A85 HydrophobicContact CG1-CB 4.05Å; I71-A85 PolarHBondContact N-O 2.81Å; I71-A85 PolarHBondContact O-N 3.41Å; I71-W98 HydrophobicContact CD1-CH2 4.06Å; I71-W98 HydrophobicContact CD1-CZ2 3.84Å; I71-W98 HydrophobicContact CG1-CH2 4.46Å; I71-W98 HydrophobicContact CG2-CH2 3.98Å; I71-W98 HydrophobicContact CG2-CZ2 3.87Å; I71-L110 HydrophobicContact CD1-CD2 3.71Å; I71-L122 HydrophobicContact CG2-CD2 4.25Å
72I97.2Very high83.2Confident0 Ų058.3 Ų58.30%030%0.295CS..EExtended strand (participates in β ladder)trans-107.1152.2179.666.1169.9000110.2Y20 R40 I41 V43 Q70 F81 I82 L383Y20-I72 HydrophobicContact CD1-CD1 3.67Å; Y20-I72 HydrophobicContact CD1-CG2 4.34Å; Y20-I72 HydrophobicContact CD2-CD1 4.3Å; Y20-I72 HydrophobicContact CD2-CG2 4.33Å; Y20-I72 HydrophobicContact CE1-CD1 4.3Å; Y20-I72 HydrophobicContact CE1-CG2 3.95Å; Y20-I72 HydrophobicContact CE2-CG2 3.96Å; Y20-I72 HydrophobicContact CG-CD1 3.67Å; R40-I72 CarbonylContact C-O 3.58Å; R40-I72 WeakPolarHBondContact CA-O 3.44Å; I41-I72 HydrophobicContact CB-CD1 4.47Å; I41-I72 HydrophobicContact CB-CG1 4.03Å; I41-I72 PolarHBondContact N-O 3.11Å; I41-I72 WeakPolarHBondContact O-CG1 3.42Å; I41-I72 PolarHBondContact O-N 2.8Å; V43-I72 HydrophobicContact CG1-CD1 4.27Å; V43-I72 HydrophobicContact CG2-CG2 4.47Å; Q70-I72 HydrophobicContact CB-CG2 4.45Å; I72-F81 HydrophobicContact CB-CD1 4.28Å; I72-F81 HydrophobicContact CD1-CB 4.32Å; I72-F81 HydrophobicContact CD1-CD1 3.7Å; I72-F81 HydrophobicContact CD1-CE1 4.14Å; I72-F81 HydrophobicContact CD1-CG 4.05Å; I72-F81 HydrophobicContact CG1-CD1 3.98Å; I72-F81 HydrophobicContact CG1-CE1 4.45Å; I72-I82 CarbonylContact C-O 3.49Å; I72-I82 VanDerWaalsContact CA-O 3.26Å; I72-I82 WeakPolarHBondContact CA-O 3.23Å; I72-L383 HydrophobicContact CD1-CD2 3.37Å
73Q97.1Very high85.8Confident47 Ų4751.1 Ų51.122%0.2227%0.266CS..EExtended strand (participates in β ladder)trans-141.3135.5176-171.6159.814.400110.2K38 R40 D75 F81 I82 T84K38-Q73 PolarHBondContact O-NE2 3.29Å; R40-Q73 HydrophobicContact CB-CG 4.31Å; Q73-D75 PolarHBondContact O-N 2.92Å; Q73-F81 WeakPolarHBondContact O-CA 3.49Å; Q73-I82 PolarHBondContact N-O 2.95Å; Q73-I82 PolarHBondContact O-N 3.25Å; Q73-T84 HydrophobicContact CB-CG2 3.81Å
74L97Very high88.2Confident10 Ų1048.6 Ų48.65%0.05226%0.256CS..EExtended strand (participates in β ladder)trans-71.5119.7176.1-176.768.4000109.5Y18 F39 E76 F81 I385Y18-L74 HydrophobicContact CD1-CD1 3.59Å; Y18-L74 HydrophobicContact CD1-CD2 4.02Å; Y18-L74 HydrophobicContact CD1-CG 4.43Å; Y18-L74 HydrophobicContact CD2-CD2 3.89Å; Y18-L74 HydrophobicContact CE1-CD1 4.13Å; Y18-L74 HydrophobicContact CE1-CD2 4.07Å; Y18-L74 HydrophobicContact CE2-CD2 3.96Å; Y18-L74 HydrophobicContact CG-CD1 3.88Å; Y18-L74 HydrophobicContact CG-CD2 3.91Å; F39-L74 HydrophobicContact CB-CB 3.53Å; F39-L74 HydrophobicContact CB-CD2 4.38Å; F39-L74 HydrophobicContact CD1-CD2 4.4Å; F39-L74 HydrophobicContact CD2-CB 4.37Å; F39-L74 HydrophobicContact CD2-CD2 3.95Å; F39-L74 HydrophobicContact CE2-CD2 4.25Å; F39-L74 HydrophobicContact CG-CB 4.09Å; F39-L74 HydrophobicContact CG-CD2 4.03Å; F39-L74 PolarHBondContact O-N 2.93Å; L74-E76 HydrophobicContact CD2-CG 4.34Å; L74-E76 PolarHBondContact O-N 2.9Å; L74-F81 HydrophobicContact CB-CD1 3.99Å; L74-F81 HydrophobicContact CB-CE1 3.74Å; L74-F81 HydrophobicContact CB-CZ 4.09Å; L74-F81 HydrophobicContact CD1-CD2 4.07Å; L74-F81 HydrophobicContact CD1-CE2 4.1Å; L74-F81 HydrophobicContact CD1-CG 4.34Å; L74-F81 HydrophobicContact CD1-CZ 4.37Å; L74-I385 HydrophobicContact CD2-CD1 4.21Å
75D95Very high90.2Very high58 Ų5845.2 Ų45.231%0.3124%0.24SC..EExtended strand (participates in β ladder)trans-77.1106.7159.5-176.6-29.3000107.4Q73 E77 A78 G79 E80 I82Q73-D75 PolarHBondContact O-N 2.92Å; D75-E77 PolarHBondContact O-N 2.85Å; D75-E77 WeakPolarHBondContact OD1-CB 3.41Å; D75-E77 PolarHBondContact OD1-N 3.02Å; D75-A78 HydrophobicContact CB-CB 4.02Å; D75-A78 PolarHBondContact OD1-N 2.74Å; D75-G79 VanDerWaalsContact O-CA 3.29Å; D75-G79 WeakPolarHBondContact O-CA 3.23Å; D75-G79 PolarHBondContact O-N 2.87Å; D75-E80 PolarHBondContact N-O 3.02Å; D75-E80 PolarHBondContact O-N 2.88Å; D75-I82 HydrophobicContact CB-CD1 3.71Å; D75-I82 HydrophobicContact CB-CG1 4.24Å
76E91.5Very high92.1Very high86 Ų8648.2 Ų48.240%0.40225%0.252SS..THydrogen-bonded Turntrans-66-27.1-177.5-67.8-173.48700112.7K38 F39 L74K38-E76 WeakPolarHBondContact CD-OE2 3.09Å; K38-E76 IonicContact NZ-OE1 2.73Å; K38-E76 PolarHBondContact NZ-OE1 2.83Å; K38-E76 IonicContact NZ-OE2 3.36Å; K38-E76 PolarHBondContact NZ-OE2 2.91Å; F39-E76 HydrophobicContact CD2-CG 4Å; F39-E76 HydrophobicContact CE2-CG 4.01Å; F39-E76 WeakPolarHBondContact CE2-OE1 3.38Å; L74-E76 HydrophobicContact CD2-CG 4.34Å; L74-E76 PolarHBondContact O-N 2.9Å
77E91.2Very high93.4Very high193 Ų19348.7 Ų48.790%0.90225%0.251SS*.THydrogen-bonded Turntrans-78.5-45-179.6-63.2-172174.200110.9D75 G79D75-E77 PolarHBondContact O-N 2.85Å; D75-E77 WeakPolarHBondContact OD1-CB 3.41Å; D75-E77 PolarHBondContact OD1-N 3.02Å; E77-G79 VanDerWaalsContact C-N 3.33Å
78A92.8Very high94.3Very high56 Ų5653.4 Ų53.446%0.46328%0.277SS..THydrogen-bonded Turntrans-73.4-28.3173.900000112.3D75 E80D75-A78 HydrophobicContact CB-CB 4.02Å; D75-A78 PolarHBondContact OD1-N 2.74Å; A78-E80 VanDerWaalsContact C-N 3.33Å
79G92.8Very high94.4Very high12 Ų1251.4 Ų51.412%0.12427%0.269CS..THydrogen-bonded Turntrans68.831.7-174.200000113.2D75 E77D75-G79 VanDerWaalsContact O-CA 3.29Å; D75-G79 WeakPolarHBondContact O-CA 3.23Å; D75-G79 PolarHBondContact O-N 2.87Å; E77-G79 VanDerWaalsContact C-N 3.33Å
80E94Very high94.1Very high132 Ų13253.6 Ų53.662%0.61728%0.284SS*.EExtended strand (participates in β ladder)trans-135.6149.1-177.2-66.7-176.217300110.4D75 A78D75-E80 PolarHBondContact N-O 3.02Å; D75-E80 PolarHBondContact O-N 2.88Å; A78-E80 VanDerWaalsContact C-N 3.33Å
81F96.8Very high93.7Very high19 Ų1959.4 Ų59.48%0.08331%0.306CS..EExtended strand (participates in β ladder)trans-83.8133.1174.1-80.2-84.1000110.9Y20 I41 I72 Q73 L74 I385Y20-F81 HydrophobicContact CD2-CB 3.66Å; Y20-F81 HydrophobicContact CG-CB 4.07Å; I41-F81 HydrophobicContact CD1-CE1 4.25Å; I41-F81 HydrophobicContact CD1-CZ 4.33Å; I72-F81 HydrophobicContact CB-CD1 4.28Å; I72-F81 HydrophobicContact CD1-CB 4.32Å; I72-F81 HydrophobicContact CD1-CD1 3.7Å; I72-F81 HydrophobicContact CD1-CE1 4.14Å; I72-F81 HydrophobicContact CD1-CG 4.05Å; I72-F81 HydrophobicContact CG1-CD1 3.98Å; I72-F81 HydrophobicContact CG1-CE1 4.45Å; Q73-F81 WeakPolarHBondContact O-CA 3.49Å; L74-F81 HydrophobicContact CB-CD1 3.99Å; L74-F81 HydrophobicContact CB-CE1 3.74Å; L74-F81 HydrophobicContact CB-CZ 4.09Å; L74-F81 HydrophobicContact CD1-CD2 4.07Å; L74-F81 HydrophobicContact CD1-CE2 4.1Å; L74-F81 HydrophobicContact CD1-CG 4.34Å; L74-F81 HydrophobicContact CD1-CZ 4.37Å; F81-I385 HydrophobicContact CE2-CD1 4.32Å; F81-I385 HydrophobicContact CE2-CG1 4.08Å; F81-I385 HydrophobicContact CZ-CD1 3.78Å; F81-I385 HydrophobicContact CZ-CG1 3.9Å; F81-I385 HydrophobicContact CZ-CG2 3.94Å
82I95.8Very high93.4Very high87 Ų8761 Ų6145%0.44632%0.317SS..EExtended strand (participates in β ladder)trans-109.4135176.9-54.9176.3000108.6I72 Q73 D75 T84I72-I82 CarbonylContact C-O 3.49Å; I72-I82 VanDerWaalsContact CA-O 3.26Å; I72-I82 WeakPolarHBondContact CA-O 3.23Å; Q73-I82 PolarHBondContact N-O 2.95Å; Q73-I82 PolarHBondContact O-N 3.25Å; D75-I82 HydrophobicContact CB-CD1 3.71Å; D75-I82 HydrophobicContact CB-CG1 4.24Å; I82-T84 PolarHBondContact O-N 3.13Å
83N94.6Very high93.2Very high57 Ų5761.2 Ų61.231%0.30532%0.318SS..EExtended strand (participates in β ladder)trans-74115.1168.6179-8.4000109.4Q70 A85 Q86Q70-N83 PolarHBondContact NE2-ND2 3.38Å; Q70-N83 VanDerWaalsContact NE2-ND2 3.13Å; N83-A85 PolarHBondContact OD1-N 3.24Å; N83-A85 VanDerWaalsContact OD1-N 3.14Å; N83-A85 PolarHBondContact OD1-O 3.34Å; N83-Q86 PolarHBondContact ND2-OE1 3.06Å; N83-Q86 VanDerWaalsContact ND2-OE1 3.09Å
84T95.1Very high93.1Very high73 Ų7360.9 Ų60.945%0.44832%0.32SS..EExtended strand (participates in β ladder)trans-96-27-177.460.60000113.1I71 Q73 I82I71-T84 PolarHBondContact O-N 2.85Å; I71-T84 PolarHBondContact O-OG1 2.93Å; Q73-T84 HydrophobicContact CB-CG2 3.81Å; I82-T84 PolarHBondContact O-N 3.13Å
85A95.4Very high93.1Very high16 Ų1662.4 Ų62.413%0.13233%0.326CS..EExtended strand (participates in β ladder)trans-162.1154.5178.200000110.9I71 N83 L122 V127I71-A85 HydrophobicContact CB-CB 4.13Å; I71-A85 HydrophobicContact CG1-CB 4.05Å; I71-A85 PolarHBondContact N-O 2.81Å; I71-A85 PolarHBondContact O-N 3.41Å; N83-A85 PolarHBondContact OD1-N 3.24Å; N83-A85 VanDerWaalsContact OD1-N 3.14Å; N83-A85 PolarHBondContact OD1-O 3.34Å; A85-L122 HydrophobicContact CB-CD1 3.74Å; A85-V127 HydrophobicContact CB-CG2 3.84Å
86Q93.9Very high93.2Very high92 Ų9259.7 Ų59.743%0.4331%0.311SS..EExtended strand (participates in β ladder)trans-150.9156.1174.867.7-178.828.100111.7V69 Q70 N83V69-Q86 VanDerWaalsContact O-CA 3.3Å; V69-Q86 WeakPolarHBondContact O-CA 3.33Å; Q70-Q86 HydrophobicContact CG-CB 3.87Å; N83-Q86 PolarHBondContact ND2-OE1 3.06Å; N83-Q86 VanDerWaalsContact ND2-OE1 3.09Å
87F93.2Very high93.5Very high23 Ų2356.7 Ų56.710%0.10130%0.298CS..EExtended strand (participates in β ladder)trans-152.4149175.760-87.1000111.4R68 V69 L110 T112 Y120 V127R68-F87 VanDerWaalsContact CA-O 3.32Å; R68-F87 WeakPolarHBondContact CA-O 3.49Å; R68-F87 WeakPolarHBondContact CB-O 3.39Å; V69-F87 HydrophobicContact CB-CD1 4.24Å; V69-F87 HydrophobicContact CB-CD2 4.33Å; V69-F87 HydrophobicContact CB-CE1 3.64Å; V69-F87 HydrophobicContact CB-CE2 3.72Å; V69-F87 HydrophobicContact CB-CZ 3.37Å; V69-F87 HydrophobicContact CG1-CE1 3.6Å; V69-F87 HydrophobicContact CG1-CE2 4.38Å; V69-F87 HydrophobicContact CG1-CZ 3.54Å; V69-F87 HydrophobicContact CG2-CE2 3.92Å; V69-F87 HydrophobicContact CG2-CZ 3.84Å; V69-F87 PolarHBondContact N-O 2.9Å; V69-F87 PolarHBondContact O-N 2.81Å; F87-L110 HydrophobicContact CE1-CD2 4.03Å; F87-L110 HydrophobicContact CZ-CD2 3.99Å; F87-T112 HydrophobicContact CZ-CG2 4.32Å; F87-Y120 HydrophobicContact CD2-CD1 4.03Å; F87-Y120 AromaticContact CD2-CE1 3.58Å; F87-Y120 HydrophobicContact CD2-CE1 3.58Å; F87-Y120 HydrophobicContact CD2-CE2 4.39Å; F87-Y120 AromaticContact CD2-CZ 3.78Å; F87-Y120 AromaticContact CE2-CD1 3.91Å; F87-Y120 HydrophobicContact CE2-CD1 3.91Å; F87-Y120 AromaticContact CE2-CD2 3.88Å; F87-Y120 HydrophobicContact CE2-CD2 3.88Å; F87-Y120 AromaticContact CE2-CE1 3.58Å; F87-Y120 HydrophobicContact CE2-CE1 3.58Å; F87-Y120 AromaticContact CE2-CE2 3.55Å; F87-Y120 HydrophobicContact CE2-CE2 3.55Å; F87-Y120 HydrophobicContact CE2-CG 4.04Å; F87-Y120 AromaticContact CE2-CZ 3.38Å; F87-Y120 HydrophobicContact CG-CD1 4.48Å; F87-Y120 HydrophobicContact CG-CE1 4.37Å; F87-Y120 HydrophobicContact CZ-CD1 4.24Å; F87-Y120 AromaticContact CZ-CD2 3.89Å; F87-Y120 HydrophobicContact CZ-CD2 3.89Å; F87-Y120 HydrophobicContact CZ-CE1 4.34Å; F87-Y120 HydrophobicContact CZ-CE2 4.02Å; F87-Y120 HydrophobicContact CZ-CG 4Å; F87-V127 HydrophobicContact CB-CB 4.46Å; F87-V127 HydrophobicContact CB-CG1 4.42Å; F87-V127 HydrophobicContact CD1-CB 4.04Å; F87-V127 HydrophobicContact CD1-CG1 3.6Å; F87-V127 HydrophobicContact CD1-CG2 4.05Å; F87-V127 HydrophobicContact CE1-CG1 3.98Å; F87-V127 HydrophobicContact CG-CG1 4.08Å
88D91.6Very high93.8Very high100 Ų10047.9 Ų47.954%0.53526%0.256SS..EExtended strand (participates in β ladder)trans-69.4139.5175.8-57.1-37.5000110.9R68R68-D88 VanDerWaalsContact CG-OD1 3.29Å; R68-D88 WeakPolarHBondContact CG-OD1 3.49Å; R68-D88 IonicContact NE-OD1 3.48Å; R68-D88 PolarHBondContact NE-OD1 2.92Å
89H90.8Very high93.9Very high5 Ų545.5 Ų45.52%0.02324%0.236CC..  trans-124.2134.1177.5-164.5-93.8000109.7A67 V69 Y91 T112A67-H89 WeakPolarHBondContact CB-O 3.48Å; A67-H89 PolarHBondContact O-N 2.65Å; V69-H89 HydrophobicContact CG2-CB 4.21Å; H89-Y91 VanDerWaalsContact C-N 3.25Å; H89-Y91 PolarHBondContact ND1-O 2.8Å; H89-Y91 PolarHBondContact O-N 3.13Å; H89-Y91 VanDerWaalsContact O-N 3.13Å; H89-T112 PolarHBondContact CD2-OG1 3.3Å; H89-T112 PolarHBondContact NE2-OG1 2.86Å
90P86.4Confident93.9Very high48 Ų4845.7 Ų45.731%0.31223%0.234SC..SBendtrans-63.3-23.8-169.4-29.239.2000116.3N52N52-P90 PolarHBondContact ND2-O 2.85Å
91Y87.1Confident93.8Very high131 Ų13140 Ų4051%0.51421%0.208SC..SBendtrans-146.5166179.2-63.9-76.6000108.7H89 A93 D115H89-Y91 VanDerWaalsContact C-N 3.25Å; H89-Y91 PolarHBondContact ND1-O 2.8Å; H89-Y91 PolarHBondContact O-N 3.13Å; H89-Y91 VanDerWaalsContact O-N 3.13Å; Y91-A93 PolarHBondContact O-N 3.32Å; Y91-A93 VanDerWaalsContact O-N 3.16Å; Y91-D115 HydrophobicContact CD2-CB 4.03Å; Y91-D115 HydrophobicContact CE2-CB 3.96Å
92P91.1Very high93.3Very high37 Ų3742.7 Ų42.724%0.2423%0.226CC..  trans-51.5125.4164-26.736.4000110.3F46 T94F46-P92 HydrophobicContact CD2-CB 3.89Å; F46-P92 HydrophobicContact CD2-CG 4.21Å; F46-P92 HydrophobicContact CE2-CB 4.48Å; P92-T94 PolarHBondContact O-N 3.22Å
93A93.9Very high92.9Very high3 Ų347.3 Ų47.33%0.02524%0.238CC..  trans-69.8128.8-179.800000109.4Y27 A28 Y91 K95 L96 S113Y27-A93 WeakPolarHBondContact CD1-O 3.22Å; A28-A93 HydrophobicContact CB-CB 4.45Å; A28-A93 WeakPolarHBondContact CB-O 3.08Å; Y91-A93 PolarHBondContact O-N 3.32Å; Y91-A93 VanDerWaalsContact O-N 3.16Å; A93-K95 VanDerWaalsContact C-N 3.29Å; A93-L96 HydrophobicContact CB-CD2 3.79Å; A93-L96 HydrophobicContact CB-CG 4.35Å; A93-S113 CarbonylContact C-O 3.28Å; A93-S113 WeakPolarHBondContact CA-O 3.45Å
94T94.5Very high92.5Very high41 Ų4145.6 Ų45.625%0.25223%0.233SC..SBendtrans-70.4-29.8176.950.80000111.8P92 S113 L148P92-T94 PolarHBondContact O-N 3.22Å; T94-S113 PolarHBondContact N-O 2.89Å; T94-S113 WeakPolarHBondContact OG1-CB 3.46Å; T94-S113 PolarHBondContact OG1-O 2.89Å; T94-S113 PolarHBondContact OG1-OG 2.89Å; T94-L148 WeakPolarHBondContact CG2-O 3.41Å; T94-L148 PolarHBondContact OG1-O 2.9Å
95K96.6Very high92Very high41 Ų4147.2 Ų47.218%0.17824%0.236CC..EExtended strand (participates in β ladder)trans-155153.3174.2-163.4167.5-176.1179.10110.3A93 M97 T112 S113 S150 F151 D208A93-K95 VanDerWaalsContact C-N 3.29Å; K95-M97 HydrophobicContact CG-CG 4.4Å; K95-T112 WeakPolarHBondContact O-CA 3.3Å; K95-S113 WeakPolarHBondContact CB-OG 3.28Å; K95-S113 PolarHBondContact N-OG 3Å; K95-S113 VanDerWaalsContact N-OG 3.1Å; K95-S113 PolarHBondContact O-N 2.76Å; K95-S113 VanDerWaalsContact O-N 3.12Å; K95-S150 WeakPolarHBondContact CD-OG 3.49Å; K95-S150 PolarHBondContact NZ-OG 2.93Å; K95-S150 VanDerWaalsContact NZ-OG 3.15Å; K95-F151 HydrophobicContact CB-CD1 3.85Å; K95-F151 HydrophobicContact CB-CE1 3.68Å; K95-F151 HydrophobicContact CD-CD1 4.29Å; K95-F151 VanDerWaalsContact CD-O 3.26Å; K95-F151 WeakPolarHBondContact CD-O 3.29Å; K95-F151 WeakPolarHBondContact CE-O 3.25Å; K95-F151 HydrophobicContact CG-CD1 4.28Å; K95-F151 HydrophobicContact CG-CE1 4.06Å; K95-F151 PolarHBondContact NZ-O 3.37Å; K95-F151 WeakPolarHBondContact O-CE1 3.44Å; K95-D208 IonicContact NZ-OD1 3.51Å
96L97.9Very high91.5Very high1 Ų147 Ų471%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-125.1140.6171.2-61.6176.8000107.6A28 N30 A42 V69 A93 A111 T112A28-L96 HydrophobicContact CB-CB 4.49Å; A28-L96 HydrophobicContact CB-CD1 4.05Å; A28-L96 HydrophobicContact CB-CG 3.75Å; N30-L96 HydrophobicContact CB-CB 4.25Å; N30-L96 VanDerWaalsContact CB-O 3.24Å; N30-L96 WeakPolarHBondContact CB-O 3.47Å; A42-L96 HydrophobicContact CB-CD1 4.21Å; V69-L96 HydrophobicContact CG1-CD1 4.18Å; V69-L96 HydrophobicContact CG1-CD2 4.45Å; V69-L96 HydrophobicContact CG2-CD1 4.5Å; V69-L96 HydrophobicContact CG2-CD2 4Å; A93-L96 HydrophobicContact CB-CD2 3.79Å; A93-L96 HydrophobicContact CB-CG 4.35Å; L96-A111 WeakPolarHBondContact CA-O 3.49Å; L96-T112 HydrophobicContact CD2-CG2 3.32Å
97M97.8Very high91.2Very high24 Ų2443.1 Ų43.112%0.11822%0.216CC..EExtended strand (participates in β ladder)trans-148.4130.4170.4-64.1-173.361.200111.3N30 K95 A111 F151 D152 W153N30-M97 WeakPolarHBondContact OD1-CA 3.26Å; K95-M97 HydrophobicContact CG-CG 4.4Å; M97-A111 PolarHBondContact N-O 2.81Å; M97-A111 PolarHBondContact O-N 3.49Å; M97-F151 HydrophobicContact CB-CE2 3.65Å; M97-F151 HydrophobicContact CB-CZ 3.73Å; M97-F151 HydrophobicContact CG-CE2 3.77Å; M97-F151 HydrophobicContact CG-CZ 3.78Å; M97-F151 HydrophobicContact SD-CD2 4.15Å; M97-F151 HydrophobicContact SD-CE2 3.89Å; M97-F151 HydrophobicContact SD-CZ 4.4Å; M97-D152 VanDerWaalsContact CE-OD1 3.28Å; M97-D152 WeakPolarHBondContact CE-OD1 3.44Å; M97-W153 HydrophobicContact CE-CB 4.13Å
98W97.1Very high91.1Very high7 Ų742.9 Ų42.93%0.02722%0.216CC..EExtended strand (participates in β ladder)trans-70.3151.7166-67.990.4000110.2N30 W31 R40 A42 I71 D108 L110 L122N30-W98 PolarHBondContact O-NE1 3.19Å; N30-W98 PolarHBondContact OD1-N 3.24Å; W31-W98 VanDerWaalsContact O-CD1 3.27Å; R40-W98 HydrophobicContact CG-CZ2 4.4Å; A42-W98 HydrophobicContact CB-CZ2 4Å; I71-W98 HydrophobicContact CD1-CH2 4.06Å; I71-W98 HydrophobicContact CD1-CZ2 3.84Å; I71-W98 HydrophobicContact CG1-CH2 4.46Å; I71-W98 HydrophobicContact CG2-CH2 3.98Å; I71-W98 HydrophobicContact CG2-CZ2 3.87Å; W98-D108 WeakPolarHBondContact CZ3-OD1 3.37Å; W98-L110 HydrophobicContact CD2-CD1 3.98Å; W98-L110 HydrophobicContact CE3-CB 4.25Å; W98-L110 HydrophobicContact CG-CD1 4.12Å; W98-L110 HydrophobicContact CZ3-CB 4.31Å; W98-L122 HydrophobicContact CH2-CD2 3.83Å; W98-L122 HydrophobicContact CZ3-CB 4.47Å; W98-L122 HydrophobicContact CZ3-CD2 4.24Å
99I95.1Very high91.2Very high7 Ų738.2 Ų38.24%0.03619%0.191CC..  trans-53.4132.4168.2-175.2169.4000109.6D101 C106 L109 W153 V158 I181I99-D101 HydrophobicContact CG1-CB 4.26Å; I99-D101 HydrophobicContact CG2-CB 4.24Å; I99-D101 PolarHBondContact O-N 3.35Å; I99-C106 HydrophobicContact CD1-CB 3.74Å; I99-L109 HydrophobicContact CB-CB 4.1Å; I99-L109 HydrophobicContact CD1-CD1 4.24Å; I99-L109 HydrophobicContact CG2-CB 4.14Å; I99-L109 PolarHBondContact N-O 3.26Å; I99-W153 HydrophobicContact CB-CH2 3.93Å; I99-W153 HydrophobicContact CB-CZ2 4.01Å; I99-W153 HydrophobicContact CB-CZ3 4.24Å; I99-W153 HydrophobicContact CD1-CZ2 4.07Å; I99-W153 HydrophobicContact CG1-CH2 4.24Å; I99-W153 HydrophobicContact CG1-CZ2 3.79Å; I99-V158 HydrophobicContact CD1-CB 4.4Å; I99-V158 HydrophobicContact CG1-CB 4.38Å; I99-I181 HydrophobicContact CD1-CG2 3.94Å
100P93.7Very high91.5Very high15 Ų1538.1 Ų38.110%0.09719%0.191CC..  trans-79.455.5-177.930-33.2000112.4I33 V102 W153 E155 V158I33-P100 VanDerWaalsContact CD1-C 3.5Å; I33-P100 HydrophobicContact CD1-CB 3.91Å; P100-V102 PolarHBondContact O-N 2.97Å; P100-W153 VanDerWaalsContact CD-CD1 3.45Å; P100-W153 HydrophobicContact CG-CB 3.96Å; P100-W153 HydrophobicContact CG-CG 3.82Å; P100-E155 HydrophobicContact CB-CB 4.49Å; P100-E155 HydrophobicContact CB-CG 3.84Å; P100-E155 HydrophobicContact CG-CG 4.2Å; P100-V158 HydrophobicContact CG-CG1 4.22Å
101D90.5Very high92.1Very high13 Ų1335.9 Ų35.97%0.0718%0.176CC..  trans-98.580.8-179.3176.829.2000112I99 R103 G104 Q105 C106I99-D101 HydrophobicContact CG1-CB 4.26Å; I99-D101 HydrophobicContact CG2-CB 4.24Å; I99-D101 PolarHBondContact O-N 3.35Å; D101-R103 PolarHBondContact O-N 3.11Å; D101-R103 VanDerWaalsContact O-N 3.08Å; D101-R103 PolarHBondContact OD1-N 2.74Å; D101-G104 PolarHBondContact O-N 2.66Å; D101-G104 VanDerWaalsContact O-N 3.17Å; D101-G104 PolarHBondContact OD1-N 2.89Å; D101-G104 VanDerWaalsContact OD1-N 3.17Å; D101-G104 WeakPolarHBondContact OD2-CA 3.36Å; D101-G104 PolarHBondContact OD2-N 3.15Å; D101-Q105 PolarHBondContact OD1-N 3.42Å; D101-Q105 PolarHBondContact OD2-N 3.08Å; D101-C106 HydrophobicContact CB-CB 4.02Å; D101-C106 VanDerWaalsContact CG-SG 3.58Å; D101-C106 WeakPolarHBondContact OD2-CA 3.25Å; D101-C106 VanDerWaalsContact OD2-CB 3.28Å; D101-C106 WeakPolarHBondContact OD2-CB 3.47Å; D101-C106 PolarHBondContact OD2-N 3.22Å
102V87.6Confident92.5Very high76 Ų7629.6 Ų29.646%0.46115%0.152SC..THydrogen-bonded Turntrans-63-12.6178.7-60.80000114.1I33 P35 P100I33-V102 HydrophobicContact CD1-CG1 3.61Å; I33-V102 HydrophobicContact CG1-CG1 4.46Å; P35-V102 WeakPolarHBondContact CG-O 3.26Å; P100-V102 PolarHBondContact O-N 2.97Å
103R87.7Confident92.7Very high184 Ų18427.9 Ų27.969%0.69414%0.14SC*.THydrogen-bonded Turntrans-102.5-8.5179.8-62.9-174.5-179.7175.6-0113D101 Q105D101-R103 PolarHBondContact O-N 3.11Å; D101-R103 VanDerWaalsContact O-N 3.08Å; D101-R103 PolarHBondContact OD1-N 2.74Å; R103-Q105 HydrophobicContact CB-CG 3.73Å; R103-Q105 PolarHBondContact O-N 3.28Å
104G85.8Confident92.7Very high20 Ų2028 Ų2821%0.20614%0.141CC..SBendtrans63.724.2-176.200000113.9R34 D101R34-G104 PolarHBondContact NH2-O 2.79Å; D101-G104 PolarHBondContact O-N 2.66Å; D101-G104 VanDerWaalsContact O-N 3.17Å; D101-G104 PolarHBondContact OD1-N 2.89Å; D101-G104 VanDerWaalsContact OD1-N 3.17Å; D101-G104 WeakPolarHBondContact OD2-CA 3.36Å; D101-G104 PolarHBondContact OD2-N 3.15Å
105Q84.8Confident92.5Very high108 Ų10827.6 Ų27.651%0.50514%0.138SC..  trans-84.2-18.6-178.2-67.7-178.4-33.600113.4D101 R103D101-Q105 PolarHBondContact OD1-N 3.42Å; D101-Q105 PolarHBondContact OD2-N 3.08Å; R103-Q105 HydrophobicContact CB-CG 3.73Å; R103-Q105 PolarHBondContact O-N 3.28Å
106C84.2Confident92.3Very high10 Ų1027.6 Ų27.67%0.06814%0.137CC..SBendtrans-96.5164.8-178.4-51.90000110.3R34 I99 D101 I181R34-C106 PolarHBondContact NH1-O 3.32Å; I99-C106 HydrophobicContact CD1-CB 3.74Å; D101-C106 HydrophobicContact CB-CB 4.02Å; D101-C106 VanDerWaalsContact CG-SG 3.58Å; D101-C106 WeakPolarHBondContact OD2-CA 3.25Å; D101-C106 VanDerWaalsContact OD2-CB 3.28Å; D101-C106 WeakPolarHBondContact OD2-CB 3.47Å; D101-C106 PolarHBondContact OD2-N 3.22Å; C106-I181 WeakPolarHBondContact CA-O 3.26Å; C106-I181 HydrophobicContact CB-CG2 4.02Å; C106-I181 WeakPolarHBondContact CB-O 3.34Å; C106-I181 PolarHBondContact SG-O 2.85Å; C106-I181 VanDerWaalsContact SG-O 3.42Å
107S87.1Confident92.1Very high11 Ų1127.6 Ų27.68%0.07714%0.137CC..  trans-59.2145.5165.3-62.50000110.8L109 R121 V184S107-L109 PolarHBondContact O-N 2.83Å; S107-R121 PolarHBondContact OG-NH1 3.2Å; S107-V184 WeakPolarHBondContact OG-CB 3.24Å; S107-V184 WeakPolarHBondContact OG-CG1 3.42Å
108D91.9Very high91.9Very high18 Ų1827.1 Ų27.110%0.09613%0.134CC..  trans-7794.1-178.5-160.915.6000110R40 W98 R121 L122R40-D108 IonicContact CZ-OD1 2.88Å; R40-D108 IonicContact CZ-OD2 3.67Å; R40-D108 IonicContact NH1-OD1 3.34Å; R40-D108 IonicContact NH1-OD2 2.79Å; R40-D108 PolarHBondContact NH1-OD2 3.39Å; R40-D108 VanDerWaalsContact NH2-CG 3.25Å; R40-D108 IonicContact NH2-OD1 3.84Å; R40-D108 PolarHBondContact NH2-OD1 3.15Å; R40-D108 IonicContact NH2-OD2 3.86Å; R40-D108 PolarHBondContact NH2-OD2 3.35Å; W98-D108 WeakPolarHBondContact CZ3-OD1 3.37Å; D108-R121 WeakPolarHBondContact O-CA 3.36Å; D108-L122 HydrophobicContact CB-CB 4.42Å; D108-L122 PolarHBondContact O-N 3.23Å
109L94.6Very high91.8Very high2 Ų226.8 Ų26.81%0.0113%0.132CC..EExtended strand (participates in β ladder)trans-108.3141.7-173.8-57.1179.6000111.5I99 S107 V119 Y120 R121 E130 W153 V191I99-L109 HydrophobicContact CB-CB 4.1Å; I99-L109 HydrophobicContact CD1-CD1 4.24Å; I99-L109 HydrophobicContact CG2-CB 4.14Å; I99-L109 PolarHBondContact N-O 3.26Å; S107-L109 PolarHBondContact O-N 2.83Å; L109-V119 HydrophobicContact CB-CG1 4.03Å; L109-V119 HydrophobicContact CD1-CG1 4.08Å; L109-V119 HydrophobicContact CD2-CG1 4.23Å; L109-V119 HydrophobicContact CG-CG1 4.33Å; L109-Y120 CarbonylContact C-O 3.59Å; L109-Y120 VanDerWaalsContact CA-O 3.23Å; L109-Y120 WeakPolarHBondContact CA-O 3.47Å; L109-R121 HydrophobicContact CD2-CB 3.85Å; L109-R121 HydrophobicContact CD2-CG 4.27Å; L109-E130 HydrophobicContact CD2-CG 4.38Å; L109-W153 HydrophobicContact CB-CH2 4.07Å; L109-W153 HydrophobicContact CD1-CH2 4.37Å; L109-V191 HydrophobicContact CD1-CG2 4.02Å; L109-V191 HydrophobicContact CD2-CG2 4.11Å
110L97.1Very high91.8Very high4 Ų427.1 Ų27.12%0.02113%0.133CC..EExtended strand (participates in β ladder)trans-123.1121.1171.917868.5000108.6A42 V69 I71 F87 W98 T112 Y120A42-L110 HydrophobicContact CB-CD1 3.84Å; A42-L110 HydrophobicContact CB-CD2 3.89Å; V69-L110 HydrophobicContact CG1-CD2 4.03Å; I71-L110 HydrophobicContact CD1-CD2 3.71Å; F87-L110 HydrophobicContact CE1-CD2 4.03Å; F87-L110 HydrophobicContact CZ-CD2 3.99Å; W98-L110 HydrophobicContact CD2-CD1 3.98Å; W98-L110 HydrophobicContact CE3-CB 4.25Å; W98-L110 HydrophobicContact CG-CD1 4.12Å; W98-L110 HydrophobicContact CZ3-CB 4.31Å; L110-T112 HydrophobicContact CG-CG2 4.42Å; L110-Y120 PolarHBondContact N-O 3.08Å; L110-Y120 PolarHBondContact O-N 3.04Å
111A97.2Very high91.8Very high0 Ų027.3 Ų27.30%013%0.132CC..EExtended strand (participates in β ladder)trans-94.2144.6171.200000111L96 M97 L117 R118 V119 F151 W153 I161L96-A111 WeakPolarHBondContact CA-O 3.49Å; M97-A111 PolarHBondContact N-O 2.81Å; M97-A111 PolarHBondContact O-N 3.49Å; A111-L117 HydrophobicContact CB-CD1 4.34Å; A111-R118 CarbonylContact C-O 3.51Å; A111-R118 VanDerWaalsContact CA-O 3.26Å; A111-R118 WeakPolarHBondContact CA-O 3.08Å; A111-V119 HydrophobicContact CB-CG2 4.41Å; A111-F151 HydrophobicContact CB-CE2 3.56Å; A111-F151 HydrophobicContact CB-CZ 3.67Å; A111-F151 WeakPolarHBondContact O-CZ 3.43Å; A111-W153 HydrophobicContact CB-CE3 3.89Å; A111-W153 HydrophobicContact CB-CH2 4.45Å; A111-W153 HydrophobicContact CB-CZ3 3.46Å; A111-W153 VanDerWaalsContact CB-CZ3 3.46Å; A111-I161 HydrophobicContact CB-CD1 4.22Å
112T97Very high91.9Very high0 Ų028 Ų280%014%0.136CC..EExtended strand (participates in β ladder)trans-134.9142.5176.175.50000109.9F87 H89 K95 L96 L110 L117 R118 Y120F87-T112 HydrophobicContact CZ-CG2 4.32Å; H89-T112 PolarHBondContact CD2-OG1 3.3Å; H89-T112 PolarHBondContact NE2-OG1 2.86Å; K95-T112 WeakPolarHBondContact O-CA 3.3Å; L96-T112 HydrophobicContact CD2-CG2 3.32Å; L110-T112 HydrophobicContact CG-CG2 4.42Å; T112-L117 WeakPolarHBondContact O-CA 3.24Å; T112-R118 PolarHBondContact N-O 3.06Å; T112-R118 PolarHBondContact O-N 2.84Å; T112-Y120 HydrophobicContact CG2-CD2 3.96Å; T112-Y120 HydrophobicContact CG2-CE2 3.8Å
113S95.3Very high92.1Very high0 Ų026.6 Ų26.60%013%0.129CC..EExtended strand (participates in β ladder)trans-114.1144173.156.50000111.3A93 T94 K95 F151A93-S113 CarbonylContact C-O 3.28Å; A93-S113 WeakPolarHBondContact CA-O 3.45Å; T94-S113 PolarHBondContact N-O 2.89Å; T94-S113 WeakPolarHBondContact OG1-CB 3.46Å; T94-S113 PolarHBondContact OG1-O 2.89Å; T94-S113 PolarHBondContact OG1-OG 2.89Å; K95-S113 WeakPolarHBondContact CB-OG 3.28Å; K95-S113 PolarHBondContact N-OG 3Å; K95-S113 VanDerWaalsContact N-OG 3.1Å; K95-S113 PolarHBondContact O-N 2.76Å; K95-S113 VanDerWaalsContact O-N 3.12Å; S113-F151 VanDerWaalsContact CB-CD1 3.49Å; S113-F151 VanDerWaalsContact OG-CD1 3.31Å; S113-F151 WeakPolarHBondContact OG-CD1 3.43Å
114A93.3Very high92Very high6 Ų623.6 Ų23.65%0.0514%0.136CC..SBendtrans-160.1-112.8164.700000108.2Y116 L148A114-Y116 VanDerWaalsContact C-N 3.27Å; A114-Y116 PolarHBondContact N-O 3Å; A114-Y116 VanDerWaalsContact N-O 3.17Å; A114-Y116 PolarHBondContact O-N 2.93Å; A114-L148 WeakPolarHBondContact O-CB 3.49Å; A114-L148 PolarHBondContact O-N 3.32Å
115D89.9Confident92.1Very high33 Ų3329.9 Ų29.918%0.17617%0.165CC..SBendtrans-60-35.9165.759.3-32.7000112.9Y91 R118Y91-D115 HydrophobicContact CD2-CB 4.03Å; Y91-D115 HydrophobicContact CE2-CB 3.96Å; D115-R118 VanDerWaalsContact CG-NH2 3.27Å; D115-R118 IonicContact OD1-CZ 3.9Å; D115-R118 VanDerWaalsContact OD1-CZ 3.22Å; D115-R118 IonicContact OD1-NH1 2.88Å; D115-R118 PolarHBondContact OD1-NH1 3.01Å; D115-R118 IonicContact OD1-NH2 3.99Å; D115-R118 PolarHBondContact OD1-NH2 2.69Å; D115-R118 IonicContact OD2-CZ 3.3Å; D115-R118 IonicContact OD2-NH2 3.69Å; D115-R118 PolarHBondContact OD2-NH2 2.8Å
116Y92.2Very high92.3Very high41 Ų4126 Ų2616%0.16115%0.154CC..SBendtrans-137.5162.3177.1-59.6-61.3000110.6A114 R118 L132 N134 C145A114-Y116 VanDerWaalsContact C-N 3.27Å; A114-Y116 PolarHBondContact N-O 3Å; A114-Y116 VanDerWaalsContact N-O 3.17Å; A114-Y116 PolarHBondContact O-N 2.93Å; Y116-R118 PolarHBondContact O-NH1 2.92Å; Y116-L132 HydrophobicContact CD2-CD1 3.94Å; Y116-L132 HydrophobicContact CG-CD1 4Å; Y116-N134 HydrophobicContact CD1-CB 3.48Å; Y116-N134 VanDerWaalsContact CD1-CB 3.48Å; Y116-N134 HydrophobicContact CE1-CB 3.51Å; Y116-N134 HydrophobicContact CG-CB 4.21Å; Y116-C145 HydrophobicContact CD1-CB 4.24Å; Y116-C145 HydrophobicContact CE1-CB 3.48Å; Y116-C145 VanDerWaalsContact CE1-CB 3.48Å
117L94.4Very high92.8Very high0 Ų027.2 Ų27.20%016%0.161CC..EExtended strand (participates in β ladder)trans-83128.8166.3179.676.1000108.2A111 T112 L133 L148 F151 I161 T163 W173A111-L117 HydrophobicContact CB-CD1 4.34Å; T112-L117 WeakPolarHBondContact O-CA 3.24Å; L117-L133 HydrophobicContact CB-CB 4.1Å; L117-L133 HydrophobicContact CB-CD1 4.46Å; L117-L133 HydrophobicContact CD2-CB 4.37Å; L117-L133 HydrophobicContact CD2-CD1 4.08Å; L117-L133 HydrophobicContact CD2-CD2 3.97Å; L117-L133 HydrophobicContact CD2-CG 4.37Å; L117-L133 HydrophobicContact CG-CD1 4.12Å; L117-L133 PolarHBondContact N-O 2.91Å; L117-L133 WeakPolarHBondContact O-CD1 3.34Å; L117-L133 PolarHBondContact O-N 2.88Å; L117-L148 HydrophobicContact CB-CD1 3.67Å; L117-L148 VanDerWaalsContact N-CD1 3.34Å; L117-F151 HydrophobicContact CD1-CB 4.45Å; L117-F151 HydrophobicContact CD1-CD1 4.14Å; L117-F151 HydrophobicContact CD1-CD2 4.11Å; L117-F151 HydrophobicContact CD1-CE1 4.35Å; L117-F151 HydrophobicContact CD1-CE2 4.33Å; L117-F151 HydrophobicContact CD1-CG 3.99Å; L117-F151 HydrophobicContact CD1-CZ 4.45Å; L117-I161 HydrophobicContact CD1-CG2 4.37Å; L117-I161 HydrophobicContact CD2-CB 4.22Å; L117-I161 HydrophobicContact CD2-CD1 4.24Å; L117-I161 HydrophobicContact CD2-CG2 3.67Å; L117-T163 HydrophobicContact CB-CG2 4.2Å; L117-T163 HydrophobicContact CD1-CG2 4.29Å; L117-T163 HydrophobicContact CD2-CG2 3.82Å; L117-T163 HydrophobicContact CG-CG2 4.34Å; L117-W173 HydrophobicContact CD2-CG 4.25Å
118R94Very high93Very high14 Ų1429.9 Ų29.95%0.05318%0.177CC..EExtended strand (participates in β ladder)trans-121.9143.4176.7-67.5172.5-176.178.5-1109.1A111 T112 D115 Y116 Y120 M129 L132A111-R118 CarbonylContact C-O 3.51Å; A111-R118 VanDerWaalsContact CA-O 3.26Å; A111-R118 WeakPolarHBondContact CA-O 3.08Å; T112-R118 PolarHBondContact N-O 3.06Å; T112-R118 PolarHBondContact O-N 2.84Å; D115-R118 VanDerWaalsContact CG-NH2 3.27Å; D115-R118 IonicContact OD1-CZ 3.9Å; D115-R118 VanDerWaalsContact OD1-CZ 3.22Å; D115-R118 IonicContact OD1-NH1 2.88Å; D115-R118 PolarHBondContact OD1-NH1 3.01Å; D115-R118 IonicContact OD1-NH2 3.99Å; D115-R118 PolarHBondContact OD1-NH2 2.69Å; D115-R118 IonicContact OD2-CZ 3.3Å; D115-R118 IonicContact OD2-NH2 3.69Å; D115-R118 PolarHBondContact OD2-NH2 2.8Å; Y116-R118 PolarHBondContact O-NH1 2.92Å; R118-Y120 HydrophobicContact CB-CD2 4.28Å; R118-Y120 HydrophobicContact CB-CE2 3.51Å; R118-Y120 VanDerWaalsContact CD-OH 3.26Å; R118-Y120 WeakPolarHBondContact CD-OH 3.35Å; R118-M129 HydrophobicContact CG-SD 4.44Å; R118-L132 HydrophobicContact CG-CD1 3.49Å; R118-L132 VanDerWaalsContact CG-CD1 3.49Å
119V94.9Very high93Very high0 Ų033.7 Ų33.70%020%0.195CC..EExtended strand (participates in β ladder)trans-119.8126172.2-176.60000108.5L109 A111 E130 C131 L133 W153 I161 L175L109-V119 HydrophobicContact CB-CG1 4.03Å; L109-V119 HydrophobicContact CD1-CG1 4.08Å; L109-V119 HydrophobicContact CD2-CG1 4.23Å; L109-V119 HydrophobicContact CG-CG1 4.33Å; A111-V119 HydrophobicContact CB-CG2 4.41Å; V119-E130 PolarHBondContact O-N 3.1Å; V119-C131 PolarHBondContact N-O 2.86Å; V119-C131 PolarHBondContact O-N 3.17Å; V119-L133 HydrophobicContact CG2-CD1 3.9Å; V119-W153 HydrophobicContact CG1-CH2 4.45Å; V119-I161 HydrophobicContact CG2-CD1 4.42Å; V119-L175 HydrophobicContact CG2-CD2 4.35Å
120Y94.8Very high92.7Very high15 Ų1534.4 Ų34.46%0.05920%0.199CC..EExtended strand (participates in β ladder)trans-110.8146.8178.2-61-94.8000109.6F87 L109 L110 T112 R118 V127 T128 M129F87-Y120 HydrophobicContact CD2-CD1 4.03Å; F87-Y120 AromaticContact CD2-CE1 3.58Å; F87-Y120 HydrophobicContact CD2-CE1 3.58Å; F87-Y120 HydrophobicContact CD2-CE2 4.39Å; F87-Y120 AromaticContact CD2-CZ 3.78Å; F87-Y120 AromaticContact CE2-CD1 3.91Å; F87-Y120 HydrophobicContact CE2-CD1 3.91Å; F87-Y120 AromaticContact CE2-CD2 3.88Å; F87-Y120 HydrophobicContact CE2-CD2 3.88Å; F87-Y120 AromaticContact CE2-CE1 3.58Å; F87-Y120 HydrophobicContact CE2-CE1 3.58Å; F87-Y120 AromaticContact CE2-CE2 3.55Å; F87-Y120 HydrophobicContact CE2-CE2 3.55Å; F87-Y120 HydrophobicContact CE2-CG 4.04Å; F87-Y120 AromaticContact CE2-CZ 3.38Å; F87-Y120 HydrophobicContact CG-CD1 4.48Å; F87-Y120 HydrophobicContact CG-CE1 4.37Å; F87-Y120 HydrophobicContact CZ-CD1 4.24Å; F87-Y120 AromaticContact CZ-CD2 3.89Å; F87-Y120 HydrophobicContact CZ-CD2 3.89Å; F87-Y120 HydrophobicContact CZ-CE1 4.34Å; F87-Y120 HydrophobicContact CZ-CE2 4.02Å; F87-Y120 HydrophobicContact CZ-CG 4Å; L109-Y120 CarbonylContact C-O 3.59Å; L109-Y120 VanDerWaalsContact CA-O 3.23Å; L109-Y120 WeakPolarHBondContact CA-O 3.47Å; L110-Y120 PolarHBondContact N-O 3.08Å; L110-Y120 PolarHBondContact O-N 3.04Å; T112-Y120 HydrophobicContact CG2-CD2 3.96Å; T112-Y120 HydrophobicContact CG2-CE2 3.8Å; R118-Y120 HydrophobicContact CB-CD2 4.28Å; R118-Y120 HydrophobicContact CB-CE2 3.51Å; R118-Y120 VanDerWaalsContact CD-OH 3.26Å; R118-Y120 WeakPolarHBondContact CD-OH 3.35Å; Y120-V127 HydrophobicContact CD1-CG1 3.93Å; Y120-V127 HydrophobicContact CG-CG1 4.22Å; Y120-T128 CarbonylContact C-O 3.56Å; Y120-T128 VanDerWaalsContact CA-O 3.27Å; Y120-T128 WeakPolarHBondContact CA-O 3.32Å; Y120-M129 HydrophobicContact CD1-CB 3.9Å; Y120-M129 HydrophobicContact CD1-CG 4.28Å; Y120-M129 HydrophobicContact CE1-CB 3.83Å; Y120-M129 HydrophobicContact CE1-CG 4.03Å
121R93.3Very high92.3Very high19 Ų1934.9 Ų34.97%0.07220%0.203CC..EExtended strand (participates in β ladder)trans-105.3128.3169.4179-169.1-54.5-92-9109.2S107 D108 L109 V127 T128 E130 G189S107-R121 PolarHBondContact OG-NH1 3.2Å; D108-R121 WeakPolarHBondContact O-CA 3.36Å; L109-R121 HydrophobicContact CD2-CB 3.85Å; L109-R121 HydrophobicContact CD2-CG 4.27Å; R121-V127 WeakPolarHBondContact O-CA 3.42Å; R121-T128 PolarHBondContact N-O 3.36Å; R121-T128 PolarHBondContact O-N 3.14Å; R121-E130 HydrophobicContact CB-CG 3.58Å; R121-E130 IonicContact CZ-OE1 3.68Å; R121-E130 IonicContact CZ-OE2 3.74Å; R121-E130 IonicContact NE-OE1 3.22Å; R121-E130 PolarHBondContact NE-OE1 3.17Å; R121-E130 IonicContact NE-OE2 3.35Å; R121-E130 VanDerWaalsContact NH2-CD 3.3Å; R121-E130 IonicContact NH2-OE1 2.91Å; R121-E130 IonicContact NH2-OE2 2.68Å; R121-E130 PolarHBondContact NH2-OE2 2.71Å; R121-G189 PolarHBondContact NH2-O 2.76Å
122L93.5Very high91.9Very high27 Ų2738.2 Ų38.214%0.14122%0.22CC..EExtended strand (participates in β ladder)trans-89.8132.5166-17464.2000109.3I71 A85 W98 D108 V127I71-L122 HydrophobicContact CG2-CD2 4.25Å; A85-L122 HydrophobicContact CB-CD1 3.74Å; W98-L122 HydrophobicContact CH2-CD2 3.83Å; W98-L122 HydrophobicContact CZ3-CB 4.47Å; W98-L122 HydrophobicContact CZ3-CD2 4.24Å; D108-L122 HydrophobicContact CB-CB 4.42Å; D108-L122 PolarHBondContact O-N 3.23Å; L122-V127 HydrophobicContact CD1-CG2 3.52Å
123S90.4Very high91.6Very high47 Ų4738.5 Ų38.533%0.32922%0.221SC..EExtended strand (participates in β ladder)trans-140.4172.9178.168.30000109.9D125 G126S123-D125 PolarHBondContact O-N 3.4Å; S123-D125 PolarHBondContact OG-N 2.77Å; S123-G126 PolarHBondContact N-O 2.81Å; S123-G126 PolarHBondContact O-N 2.8Å; S123-G126 VanDerWaalsContact O-N 3.16Å; S123-G126 PolarHBondContact OG-O 2.95Å
124S87.3Confident90.9Very high120 Ų12040.4 Ų40.484%0.83923%0.232SC*.THydrogen-bonded Turntrans-57.7-26.7172.552.60000113.1G126S124-G126 VanDerWaalsContact C-N 3.32Å
125D86.4Confident89.7Confident152 Ų15241.1 Ų41.181%0.81323%0.234SC*.THydrogen-bonded Turntrans-91.21.5-175.3-55.1-21.6000112.3S123S123-D125 PolarHBondContact O-N 3.4Å; S123-D125 PolarHBondContact OG-N 2.77Å
126G90.4Very high88.4Confident26 Ų2641.9 Ų41.927%0.26824%0.239SC..EExtended strand (participates in β ladder)trans115.5-159.8-179.100000113.5S123 S124S123-G126 PolarHBondContact N-O 2.81Å; S123-G126 PolarHBondContact O-N 2.8Å; S123-G126 VanDerWaalsContact O-N 3.16Å; S123-G126 PolarHBondContact OG-O 2.95Å; S124-G126 VanDerWaalsContact C-N 3.32Å
127V93.4Very high86.5Confident37 Ų3747.2 Ų47.222%0.22427%0.269CS..EExtended strand (participates in β ladder)trans-103.5130.1-176.6-176.40000110.3A85 F87 Y120 R121 L122A85-V127 HydrophobicContact CB-CG2 3.84Å; F87-V127 HydrophobicContact CB-CB 4.46Å; F87-V127 HydrophobicContact CB-CG1 4.42Å; F87-V127 HydrophobicContact CD1-CB 4.04Å; F87-V127 HydrophobicContact CD1-CG1 3.6Å; F87-V127 HydrophobicContact CD1-CG2 4.05Å; F87-V127 HydrophobicContact CE1-CG1 3.98Å; F87-V127 HydrophobicContact CG-CG1 4.08Å; Y120-V127 HydrophobicContact CD1-CG1 3.93Å; Y120-V127 HydrophobicContact CG-CG1 4.22Å; R121-V127 WeakPolarHBondContact O-CA 3.42Å; L122-V127 HydrophobicContact CD1-CG2 3.52Å
128T92.5Very high84.5Confident67 Ų6753.2 Ų53.241%0.41130%0.295SS..EExtended strand (participates in β ladder)trans-124.4136.9177.753.70000110.5Y120 R121 E130Y120-T128 CarbonylContact C-O 3.56Å; Y120-T128 VanDerWaalsContact CA-O 3.27Å; Y120-T128 WeakPolarHBondContact CA-O 3.32Å; R121-T128 PolarHBondContact N-O 3.36Å; R121-T128 PolarHBondContact O-N 3.14Å; T128-E130 PolarHBondContact O-N 3.18Å
129M91Very high82.5Confident97 Ų9757 Ų5748%0.47832%0.317SS..EExtended strand (participates in β ladder)trans-78.4116.1174-172.4-175.763.400109.3R118 Y120R118-M129 HydrophobicContact CG-SD 4.44Å; Y120-M129 HydrophobicContact CD1-CB 3.9Å; Y120-M129 HydrophobicContact CD1-CG 4.28Å; Y120-M129 HydrophobicContact CE1-CB 3.83Å; Y120-M129 HydrophobicContact CE1-CG 4.03Å
130E89.5Confident80.5Confident17 Ų1768.4 Ų68.48%0.07936%0.359CS..EExtended strand (participates in β ladder)trans-83.4-52.4-176.7-70.6-73.4141.400111.2L109 V119 R121 T128 R190 V191L109-E130 HydrophobicContact CD2-CG 4.38Å; V119-E130 PolarHBondContact O-N 3.1Å; R121-E130 HydrophobicContact CB-CG 3.58Å; R121-E130 IonicContact CZ-OE1 3.68Å; R121-E130 IonicContact CZ-OE2 3.74Å; R121-E130 IonicContact NE-OE1 3.22Å; R121-E130 PolarHBondContact NE-OE1 3.17Å; R121-E130 IonicContact NE-OE2 3.35Å; R121-E130 VanDerWaalsContact NH2-CD 3.3Å; R121-E130 IonicContact NH2-OE1 2.91Å; R121-E130 IonicContact NH2-OE2 2.68Å; R121-E130 PolarHBondContact NH2-OE2 2.71Å; T128-E130 PolarHBondContact O-N 3.18Å; E130-R190 VanDerWaalsContact OE2-CA 3.25Å; E130-R190 WeakPolarHBondContact OE2-CA 3.33Å; E130-V191 HydrophobicContact CB-CB 3.93Å; E130-V191 HydrophobicContact CB-CG2 3.93Å; E130-V191 HydrophobicContact CG-CB 4.5Å; E130-V191 HydrophobicContact CG-CG2 3.96Å; E130-V191 WeakPolarHBondContact OE2-CG2 3.33Å; E130-V191 PolarHBondContact OE2-N 3.14Å
131C87.5Confident78.4Confident15 Ų1574.2 Ų74.210%0.10140%0.397CS..EExtended strand (participates in β ladder)trans-144.5147.217961.10000113.1V119 L133 V191V119-C131 PolarHBondContact N-O 2.86Å; V119-C131 PolarHBondContact O-N 3.17Å; C131-L133 HydrophobicContact CB-CD1 4.45Å; C131-L133 VanDerWaalsContact SG-CD1 3.6Å; C131-V191 WeakPolarHBondContact CB-O 3.41Å
132L90Very high76.6Confident69 Ų6975.3 Ų75.336%0.36141%0.407SS..EExtended strand (participates in β ladder)trans-111.1118.7169.8175.872.2000106.8Y116 R118Y116-L132 HydrophobicContact CD2-CD1 3.94Å; Y116-L132 HydrophobicContact CG-CD1 4Å; R118-L132 HydrophobicContact CG-CD1 3.49Å; R118-L132 VanDerWaalsContact CG-CD1 3.49Å
133L88.7Confident74.8Confident6 Ų681.8 Ų81.83%0.03144%0.442CS..EExtended strand (participates in β ladder)trans-100.6103.3-177.9-62.591.6000108.4L117 V119 C131 W173 L175 A193L117-L133 HydrophobicContact CB-CB 4.1Å; L117-L133 HydrophobicContact CB-CD1 4.46Å; L117-L133 HydrophobicContact CD2-CB 4.37Å; L117-L133 HydrophobicContact CD2-CD1 4.08Å; L117-L133 HydrophobicContact CD2-CD2 3.97Å; L117-L133 HydrophobicContact CD2-CG 4.37Å; L117-L133 HydrophobicContact CG-CD1 4.12Å; L117-L133 PolarHBondContact N-O 2.91Å; L117-L133 WeakPolarHBondContact O-CD1 3.34Å; L117-L133 PolarHBondContact O-N 2.88Å; V119-L133 HydrophobicContact CG2-CD1 3.9Å; C131-L133 HydrophobicContact CB-CD1 4.45Å; C131-L133 VanDerWaalsContact SG-CD1 3.6Å; L133-W173 HydrophobicContact CB-CD2 4.03Å; L133-W173 HydrophobicContact CB-CE3 3.77Å; L133-W173 HydrophobicContact CB-CH2 3.91Å; L133-W173 HydrophobicContact CB-CZ2 4.2Å; L133-W173 HydrophobicContact CB-CZ3 3.69Å; L133-W173 HydrophobicContact CD2-CB 3.65Å; L133-W173 HydrophobicContact CD2-CD2 3.52Å; L133-W173 HydrophobicContact CD2-CE3 3.4Å; L133-W173 VanDerWaalsContact CD2-CE3 3.4Å; L133-W173 HydrophobicContact CD2-CG 3.66Å; L133-W173 HydrophobicContact CD2-CZ3 4.17Å; L133-W173 HydrophobicContact CG-CD2 4.42Å; L133-W173 HydrophobicContact CG-CE3 4.11Å; L133-W173 HydrophobicContact CG-CZ3 4.41Å; L133-L175 HydrophobicContact CD2-CD2 4.13Å; L133-A193 HydrophobicContact CD1-CB 4.41Å; L133-A193 HydrophobicContact CD2-CB 3.29Å; L133-A193 HydrophobicContact CG-CB 3.78Å
134N81.3Confident73.3Confident41 Ų4187.3 Ų87.322%0.21946%0.457CS..  trans-121.4144.2176.86237.7000110.4Y116 L136Y116-N134 HydrophobicContact CD1-CB 3.48Å; Y116-N134 VanDerWaalsContact CD1-CB 3.48Å; Y116-N134 HydrophobicContact CE1-CB 3.51Å; Y116-N134 HydrophobicContact CG-CB 4.21Å; N134-L136 HydrophobicContact CB-CD1 4.28Å; N134-L136 HydrophobicContact CB-CG 4.19Å; N134-L136 PolarHBondContact O-N 2.87Å
135N67.7Low72.8Confident20 Ų2082.7 Ų82.711%0.10742%0.424CS..G310 helixtrans-81.14.6177.5-82.9-20.8000112.9L137 K138 T171 W173 V195 Q198N135-L137 PolarHBondContact O-N 3.31Å; N135-L137 VanDerWaalsContact O-N 3.15Å; N135-K138 PolarHBondContact O-N 3.48Å; N135-T171 PolarHBondContact ND2-OG1 2.86Å; N135-W173 WeakPolarHBondContact OD1-CH2 3.26Å; N135-V195 VanDerWaalsContact OD1-CG2 3.22Å; N135-V195 WeakPolarHBondContact OD1-CG2 3.23Å; N135-Q198 PolarHBondContact ND2-NE2 3.46Å
136L64Low72.9Confident50 Ų5075.9 Ų75.926%0.26239%0.389SS..G310 helixtrans-61.5-25.9-176.5-63.5175.1000112.9N134 K138 N139 S142N134-L136 HydrophobicContact CB-CD1 4.28Å; N134-L136 HydrophobicContact CB-CG 4.19Å; N134-L136 PolarHBondContact O-N 2.87Å; L136-K138 VanDerWaalsContact C-N 3.27Å; L136-K138 PolarHBondContact O-N 3.37Å; L136-N139 CarbonylContact O-C 3.6Å; L136-N139 PolarHBondContact O-N 2.95Å; L136-S142 VanDerWaalsContact CD2-O 3.25Å; L136-S142 WeakPolarHBondContact CD2-O 3.47Å
137L51.7Low73Confident153 Ų15376.8 Ų76.880%0.80139%0.39SS*.G310 helixtrans-68-23.7-179.6-68.9174.6000113.8N135N135-L137 PolarHBondContact O-N 3.31Å; N135-L137 VanDerWaalsContact O-N 3.15Å
138K53.4Low73.1Confident126 Ų12675.4 Ų75.455%0.54838%0.381SS..THydrogen-bonded Turntrans-90.5-34174.4-72.2-172.8179.6178.20112.5N135 L136N135-K138 PolarHBondContact O-N 3.48Å; L136-K138 VanDerWaalsContact C-N 3.27Å; L136-K138 PolarHBondContact O-N 3.37Å
139N50.8Low73.3Confident94 Ų9473.8 Ų73.850%0.50337%0.371SS..  trans-103.278.3178.9-83.8-11.7000111.6L136 T141 S142L136-N139 CarbonylContact O-C 3.6Å; L136-N139 PolarHBondContact O-N 2.95Å; N139-T141 PolarHBondContact O-N 3.36Å; N139-S142 PolarHBondContact O-N 3.33Å
140R52.7Low73.6Confident238 Ų23869.4 Ų69.490%0.89835%0.35SS*.THydrogen-bonded Turntrans-61.1-3.9175-69.1-172.7178.8-171.3-0.5114.7
141T50.3Low74Confident138 Ų13868.6 Ų68.685%0.84735%0.346SS*.THydrogen-bonded Turntrans-111.2-4.9-173.553.20000113.9N139N139-T141 PolarHBondContact O-N 3.36Å
142S55.3Low74.5Confident41 Ų4168.4 Ų68.429%0.28734%0.344SS..  trans-132.2118.3178.8650000111.2L136 N139 Y144L136-S142 VanDerWaalsContact CD2-O 3.25Å; L136-S142 WeakPolarHBondContact CD2-O 3.47Å; N139-S142 PolarHBondContact O-N 3.33Å; S142-Y144 PolarHBondContact O-N 2.9Å; S142-Y144 VanDerWaalsContact O-N 3.17Å
143D56.4Low74.8Confident163 Ų16365.1 Ų65.187%0.87233%0.327SS*.SBendtrans-71.91170.5-64.5-35.8000112.7
144Y60.1Low75.1Confident164 Ų16464.9 Ų64.964%0.64333%0.326SS*.  trans-108.5124.2-176.2-167.7-98.1000110.9S142 A146S142-Y144 PolarHBondContact O-N 2.9Å; S142-Y144 VanDerWaalsContact O-N 3.17Å; Y144-A146 HydrophobicContact CE1-CB 4.5Å
145C76.3Confident75.7Confident22 Ų2264.6 Ų64.615%0.14932%0.323CS..  trans-111.1132164.5-170.90000107.1Y116Y116-C145 HydrophobicContact CD1-CB 4.24Å; Y116-C145 HydrophobicContact CE1-CB 3.48Å; Y116-C145 VanDerWaalsContact CE1-CB 3.48Å
146A88.5Confident76.8Confident9 Ų966.4 Ų66.47%0.07433%0.333CS..PPolyproline II helixtrans-64.7140.7175.600000110.5Y144 S165 I166 D167Y144-A146 HydrophobicContact CE1-CB 4.5Å; A146-S165 WeakPolarHBondContact CB-OG 3.46Å; A146-S165 PolarHBondContact O-OG 3.06Å; A146-I166 HydrophobicContact CB-CG1 3.8Å; A146-D167 HydrophobicContact CB-CB 3.51Å
147P91.9Very high78.1Confident45 Ų4565.5 Ų65.529%0.29233%0.329SS..PPolyproline II helixtrans-60.7151.2179.326.1-35.8000111.6S165 I166P147-S165 PolarHBondContact O-OG 2.98Å; P147-I166 HydrophobicContact CG-CD1 3.53Å; P147-I166 HydrophobicContact CG-CG1 3.87Å; P147-I166 PolarHBondContact O-N 3.34Å
148L95.8Very high80Confident9 Ų959.9 Ų59.95%0.04730%0.3CS..EExtended strand (participates in β ladder)trans-88.8124.5177.4-56.2-176.4000109.8T94 A114 L117 T163 A164T94-L148 WeakPolarHBondContact CG2-O 3.41Å; T94-L148 PolarHBondContact OG1-O 2.9Å; A114-L148 WeakPolarHBondContact O-CB 3.49Å; A114-L148 PolarHBondContact O-N 3.32Å; L117-L148 HydrophobicContact CB-CD1 3.67Å; L117-L148 VanDerWaalsContact N-CD1 3.34Å; L148-T163 HydrophobicContact CD1-CG2 3.9Å; L148-A164 CarbonylContact C-O 3.55Å; L148-A164 VanDerWaalsContact CA-O 3.27Å; L148-A164 WeakPolarHBondContact CA-O 3.42Å
149T96.7Very high81.8Confident32 Ų3254 Ų5420%0.19628%0.275CS..EExtended strand (participates in β ladder)trans-82.9-32.8179.646.30000111.8A164 I166 V206 Y207T149-A164 PolarHBondContact N-O 2.86Å; T149-A164 VanDerWaalsContact OG1-C 3.31Å; T149-A164 WeakPolarHBondContact OG1-CB 3.42Å; T149-A164 PolarHBondContact OG1-O 3.34Å; T149-I166 HydrophobicContact CG2-CG2 3.43Å; T149-I166 VanDerWaalsContact CG2-CG2 3.43Å; T149-V206 WeakPolarHBondContact CB-O 3.27Å; T149-V206 WeakPolarHBondContact CG2-O 3.35Å; T149-V206 PolarHBondContact OG1-O 2.9Å; T149-Y207 WeakPolarHBondContact CB-O 3.29Å; T149-Y207 HydrophobicContact CG2-CD1 4.32Å; T149-Y207 PolarHBondContact OG1-O 2.77Å
150S97.5Very high83.8Confident5 Ų549.5 Ų49.54%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-163.1173.2179-172.60000110.9K95 A164 D208K95-S150 WeakPolarHBondContact CD-OG 3.49Å; K95-S150 PolarHBondContact NZ-OG 2.93Å; K95-S150 VanDerWaalsContact NZ-OG 3.15Å; S150-A164 PolarHBondContact O-N 2.87Å; S150-D208 WeakPolarHBondContact CB-OD1 3.21Å; S150-D208 PolarHBondContact OG-OD1 3.45Å
151F98.2Very high85.9Confident0 Ų038.2 Ų38.20%021%0.209CC..EExtended strand (participates in β ladder)trans-153.8164.6166.973.2-84.1000110.9K95 M97 A111 S113 L117 I161 G162 T163K95-F151 HydrophobicContact CB-CD1 3.85Å; K95-F151 HydrophobicContact CB-CE1 3.68Å; K95-F151 HydrophobicContact CD-CD1 4.29Å; K95-F151 VanDerWaalsContact CD-O 3.26Å; K95-F151 WeakPolarHBondContact CD-O 3.29Å; K95-F151 WeakPolarHBondContact CE-O 3.25Å; K95-F151 HydrophobicContact CG-CD1 4.28Å; K95-F151 HydrophobicContact CG-CE1 4.06Å; K95-F151 PolarHBondContact NZ-O 3.37Å; K95-F151 WeakPolarHBondContact O-CE1 3.44Å; M97-F151 HydrophobicContact CB-CE2 3.65Å; M97-F151 HydrophobicContact CB-CZ 3.73Å; M97-F151 HydrophobicContact CG-CE2 3.77Å; M97-F151 HydrophobicContact CG-CZ 3.78Å; M97-F151 HydrophobicContact SD-CD2 4.15Å; M97-F151 HydrophobicContact SD-CE2 3.89Å; M97-F151 HydrophobicContact SD-CZ 4.4Å; A111-F151 HydrophobicContact CB-CE2 3.56Å; A111-F151 HydrophobicContact CB-CZ 3.67Å; A111-F151 WeakPolarHBondContact O-CZ 3.43Å; S113-F151 VanDerWaalsContact CB-CD1 3.49Å; S113-F151 VanDerWaalsContact OG-CD1 3.31Å; S113-F151 WeakPolarHBondContact OG-CD1 3.43Å; L117-F151 HydrophobicContact CD1-CB 4.45Å; L117-F151 HydrophobicContact CD1-CD1 4.14Å; L117-F151 HydrophobicContact CD1-CD2 4.11Å; L117-F151 HydrophobicContact CD1-CE1 4.35Å; L117-F151 HydrophobicContact CD1-CE2 4.33Å; L117-F151 HydrophobicContact CD1-CG 3.99Å; L117-F151 HydrophobicContact CD1-CZ 4.45Å; F151-I161 HydrophobicContact CB-CG2 4.28Å; F151-I161 HydrophobicContact CD2-CG2 3.76Å; F151-I161 HydrophobicContact CG-CG2 4.42Å; F151-G162 CarbonylContact C-O 3.02Å; F151-G162 WeakPolarHBondContact CA-O 3.29Å; F151-G162 WeakPolarHBondContact CB-O 3.3Å; F151-T163 HydrophobicContact CB-CG2 3.83Å
152D97.9Very high88.1Confident11 Ų1131.6 Ų31.66%0.05917%0.168CC..EExtended strand (participates in β ladder)trans-136.9147.2168.6-164.819.4000110.4M97 I161 G162 F209 A210 F211 K260M97-D152 VanDerWaalsContact CE-OD1 3.28Å; M97-D152 WeakPolarHBondContact CE-OD1 3.44Å; D152-I161 WeakPolarHBondContact O-CA 3.32Å; D152-G162 PolarHBondContact N-O 3.47Å; D152-G162 PolarHBondContact O-N 3.17Å; D152-F209 HydrophobicContact CB-CD1 3.77Å; D152-F209 HydrophobicContact CB-CE1 4.19Å; D152-A210 WeakPolarHBondContact OD2-CA 3.47Å; D152-F211 HydrophobicContact CB-CD2 4.06Å; D152-F211 WeakPolarHBondContact O-CE2 3.27Å; D152-F211 PolarHBondContact OD2-N 3.36Å; D152-K260 IonicContact OD2-NZ 3.24Å
153W96.2Very high90.2Very high0 Ų029.7 Ų29.70%016%0.155CC..EExtended strand (participates in β ladder)trans-96129.3174.8-150.2-50000108.8M97 I99 P100 L109 A111 V119 E155 V158 I161 L175M97-W153 HydrophobicContact CE-CB 4.13Å; I99-W153 HydrophobicContact CB-CH2 3.93Å; I99-W153 HydrophobicContact CB-CZ2 4.01Å; I99-W153 HydrophobicContact CB-CZ3 4.24Å; I99-W153 HydrophobicContact CD1-CZ2 4.07Å; I99-W153 HydrophobicContact CG1-CH2 4.24Å; I99-W153 HydrophobicContact CG1-CZ2 3.79Å; P100-W153 VanDerWaalsContact CD-CD1 3.45Å; P100-W153 HydrophobicContact CG-CB 3.96Å; P100-W153 HydrophobicContact CG-CG 3.82Å; L109-W153 HydrophobicContact CB-CH2 4.07Å; L109-W153 HydrophobicContact CD1-CH2 4.37Å; A111-W153 HydrophobicContact CB-CE3 3.89Å; A111-W153 HydrophobicContact CB-CH2 4.45Å; A111-W153 HydrophobicContact CB-CZ3 3.46Å; A111-W153 VanDerWaalsContact CB-CZ3 3.46Å; V119-W153 HydrophobicContact CG1-CH2 4.45Å; W153-E155 PolarHBondContact O-N 3.39Å; W153-V158 PolarHBondContact NE1-O 3.19Å; W153-I161 HydrophobicContact CD2-CD1 3.75Å; W153-I161 HydrophobicContact CD2-CG1 3.67Å; W153-I161 HydrophobicContact CE3-CD1 3.72Å; W153-I161 HydrophobicContact CE3-CG1 4.13Å; W153-I161 HydrophobicContact CG-CD1 4.48Å; W153-I161 HydrophobicContact CG-CG1 3.9Å; W153-I161 HydrophobicContact CH2-CD1 3.88Å; W153-I161 HydrophobicContact CZ2-CD1 3.92Å; W153-I161 HydrophobicContact CZ2-CG1 4.31Å; W153-I161 HydrophobicContact CZ3-CD1 3.8Å; W153-L175 HydrophobicContact CH2-CD1 3.89Å; W153-L175 HydrophobicContact CZ2-CD1 3.35Å
154N95Very high92.1Very high1 Ų122 Ų221%0.00511%0.113CC..  trans-72.2106.7-179.8-169.6-23.7000110.4N156 D157 V158 I160 F211 R218N154-N156 PolarHBondContact O-N 3.17Å; N154-N156 WeakPolarHBondContact OD1-CA 3.42Å; N154-N156 WeakPolarHBondContact OD1-CB 3.49Å; N154-N156 PolarHBondContact OD1-N 3.34Å; N154-D157 CarbonylContact O-C 3.6Å; N154-D157 PolarHBondContact O-N 2.93Å; N154-D157 VanDerWaalsContact O-N 3.13Å; N154-D157 PolarHBondContact OD1-N 3.17Å; N154-V158 PolarHBondContact O-N 3.36Å; N154-I160 HydrophobicContact CB-CB 3.93Å; N154-I160 HydrophobicContact CB-CG2 4.18Å; N154-I160 WeakPolarHBondContact CB-O 3.38Å; N154-I160 PolarHBondContact N-O 2.69Å; N154-F211 HydrophobicContact CB-CD1 4.24Å; N154-F211 HydrophobicContact CB-CD2 3.67Å; N154-F211 HydrophobicContact CB-CE1 4.38Å; N154-F211 HydrophobicContact CB-CE2 3.78Å; N154-F211 HydrophobicContact CB-CG 3.92Å; N154-F211 HydrophobicContact CB-CZ 4.17Å; N154-R218 PolarHBondContact ND2-O 3Å
155E92.5Very high93.9Very high36 Ų3614.3 Ų14.317%0.1688%0.084CC..THydrogen-bonded Turntrans-63.4-23.1178.2-64.8179.1-118.800113.2P100 W153 K213 K260P100-E155 HydrophobicContact CB-CB 4.49Å; P100-E155 HydrophobicContact CB-CG 3.84Å; P100-E155 HydrophobicContact CG-CG 4.2Å; W153-E155 PolarHBondContact O-N 3.39Å; E155-K213 HydrophobicContact CB-CG 4.38Å; E155-K213 VanDerWaalsContact OE2-CD 3.24Å; E155-K213 WeakPolarHBondContact OE2-CD 3.16Å; E155-K213 WeakPolarHBondContact OE2-CE 3.24Å; E155-K213 IonicContact OE2-NZ 2.95Å; E155-K213 PolarHBondContact OE2-NZ 3.04Å; E155-K260 WeakPolarHBondContact OE1-CD 3.44Å; E155-K260 WeakPolarHBondContact OE1-CE 3.46Å; E155-K260 IonicContact OE1-NZ 3.97Å; E155-K260 PolarHBondContact OE1-NZ 3.06Å; E155-K260 VanDerWaalsContact OE1-NZ 3.17Å
156N91.4Very high94.8Very high57 Ų5716.4 Ų16.431%0.3059%0.093SC..THydrogen-bonded Turntrans-82.8-21.5176.1-69.5-54.4000113.1N154 S212 K213 S214 R218N154-N156 PolarHBondContact O-N 3.17Å; N154-N156 WeakPolarHBondContact OD1-CA 3.42Å; N154-N156 WeakPolarHBondContact OD1-CB 3.49Å; N154-N156 PolarHBondContact OD1-N 3.34Å; N156-S212 PolarHBondContact ND2-O 3.4Å; N156-S212 VanDerWaalsContact ND2-O 3.1Å; N156-K213 VanDerWaalsContact ND2-C 3.3Å; N156-K213 PolarHBondContact ND2-O 3.13Å; N156-K213 PolarHBondContact OD1-O 2.73Å; N156-S214 PolarHBondContact ND2-O 3.05Å; N156-R218 HydrophobicContact CB-CB 3.78Å
157D91.1Very high95.1Very high32 Ų3218.8 Ų18.817%0.17110%0.104CC..  trans-146.292.6176.1-174.1-13.3000109N154 G159 I160 R174 R218N154-D157 CarbonylContact O-C 3.6Å; N154-D157 PolarHBondContact O-N 2.93Å; N154-D157 VanDerWaalsContact O-N 3.13Å; N154-D157 PolarHBondContact OD1-N 3.17Å; D157-G159 PolarHBondContact O-N 2.98Å; D157-G159 PolarHBondContact OD1-N 3.1Å; D157-G159 VanDerWaalsContact OD1-N 3.11Å; D157-I160 HydrophobicContact CB-CD1 4.08Å; D157-I160 HydrophobicContact CB-CG1 4.28Å; D157-I160 PolarHBondContact O-N 3.27Å; D157-I160 WeakPolarHBondContact OD2-CD1 3.31Å; D157-R174 IonicContact OD2-NH1 3.57Å; D157-R218 IonicContact OD2-NH2 3.71Å; D157-R218 PolarHBondContact OD2-NH2 3.44Å
158V91.3Very high95.2Very high34 Ų3418.4 Ų18.421%0.20610%0.101CC..THydrogen-bonded Turntrans-60-5.5-178.4-56.90000113.9I99 P100 W153 N154 I160 I181I99-V158 HydrophobicContact CD1-CB 4.4Å; I99-V158 HydrophobicContact CG1-CB 4.38Å; P100-V158 HydrophobicContact CG-CG1 4.22Å; W153-V158 PolarHBondContact NE1-O 3.19Å; N154-V158 PolarHBondContact O-N 3.36Å; V158-I160 VanDerWaalsContact C-N 3.35Å; V158-I181 HydrophobicContact CG2-CB 4.12Å; V158-I181 HydrophobicContact CG2-CG2 3.74Å
159G91Very high95.2Very high2 Ų218.6 Ų18.62%0.02110%0.103CC..THydrogen-bonded Turntrans-87.74.9169.400000115D157 R174 L175D157-G159 PolarHBondContact O-N 2.98Å; D157-G159 PolarHBondContact OD1-N 3.1Å; D157-G159 VanDerWaalsContact OD1-N 3.11Å; G159-R174 CarbonylContact O-C 3.58Å; G159-R174 VanDerWaalsContact O-CA 3.3Å; G159-R174 WeakPolarHBondContact O-CA 3.45Å; G159-L175 PolarHBondContact O-N 3.09Å
160I93.9Very high95.2Very high1 Ų117 Ų171%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-122.4129.5-176.9-60.8179.9000110.7N154 D157 V158 I172 W173 F211N154-I160 HydrophobicContact CB-CB 3.93Å; N154-I160 HydrophobicContact CB-CG2 4.18Å; N154-I160 WeakPolarHBondContact CB-O 3.38Å; N154-I160 PolarHBondContact N-O 2.69Å; D157-I160 HydrophobicContact CB-CD1 4.08Å; D157-I160 HydrophobicContact CB-CG1 4.28Å; D157-I160 PolarHBondContact O-N 3.27Å; D157-I160 WeakPolarHBondContact OD2-CD1 3.31Å; V158-I160 VanDerWaalsContact C-N 3.35Å; I160-I172 HydrophobicContact CG2-CG2 3.69Å; I160-W173 WeakPolarHBondContact CA-O 3.41Å; I160-F211 HydrophobicContact CG2-CE1 4.44Å; I160-F211 HydrophobicContact CG2-CE2 4.31Å; I160-F211 HydrophobicContact CG2-CZ 3.74Å
161I96.8Very high95.1Very high0 Ų016.9 Ų16.90%09%0.092CC..EExtended strand (participates in β ladder)trans-124136.6170-61.3176.9000108.3A111 L117 V119 F151 D152 W153 T163 W173 L175A111-I161 HydrophobicContact CB-CD1 4.22Å; L117-I161 HydrophobicContact CD1-CG2 4.37Å; L117-I161 HydrophobicContact CD2-CB 4.22Å; L117-I161 HydrophobicContact CD2-CD1 4.24Å; L117-I161 HydrophobicContact CD2-CG2 3.67Å; V119-I161 HydrophobicContact CG2-CD1 4.42Å; F151-I161 HydrophobicContact CB-CG2 4.28Å; F151-I161 HydrophobicContact CD2-CG2 3.76Å; F151-I161 HydrophobicContact CG-CG2 4.42Å; D152-I161 WeakPolarHBondContact O-CA 3.32Å; W153-I161 HydrophobicContact CD2-CD1 3.75Å; W153-I161 HydrophobicContact CD2-CG1 3.67Å; W153-I161 HydrophobicContact CE3-CD1 3.72Å; W153-I161 HydrophobicContact CE3-CG1 4.13Å; W153-I161 HydrophobicContact CG-CD1 4.48Å; W153-I161 HydrophobicContact CG-CG1 3.9Å; W153-I161 HydrophobicContact CH2-CD1 3.88Å; W153-I161 HydrophobicContact CZ2-CD1 3.92Å; W153-I161 HydrophobicContact CZ2-CG1 4.31Å; W153-I161 HydrophobicContact CZ3-CD1 3.8Å; I161-T163 HydrophobicContact CG2-CG2 4.42Å; I161-W173 HydrophobicContact CB-CB 4.48Å; I161-W173 PolarHBondContact N-O 2.77Å; I161-W173 VanDerWaalsContact N-O 3.08Å; I161-W173 PolarHBondContact O-N 2.87Å; I161-L175 HydrophobicContact CD1-CD1 3.86Å; I161-L175 HydrophobicContact CD1-CD2 4.42Å; I161-L175 HydrophobicContact CD1-CG 4.35Å; I161-L175 HydrophobicContact CG1-CD1 4.34Å
162G97.2Very high95Very high0 Ų016.9 Ų16.90%09%0.092CC..EExtended strand (participates in β ladder)trans-112.1136.1173.400000110F151 D152 T171F151-G162 CarbonylContact C-O 3.02Å; F151-G162 WeakPolarHBondContact CA-O 3.29Å; F151-G162 WeakPolarHBondContact CB-O 3.3Å; D152-G162 PolarHBondContact N-O 3.47Å; D152-G162 PolarHBondContact O-N 3.17Å; G162-T171 CarbonylContact C-O 3.53Å; G162-T171 WeakPolarHBondContact CA-O 3.19Å
163T97.8Very high94.8Very high1 Ų116.8 Ų16.81%0.0069%0.091CC..EExtended strand (participates in β ladder)trans-120.8141.6-178.959.60000110.8L117 L148 F151 I161 C170 T171 W173L117-T163 HydrophobicContact CB-CG2 4.2Å; L117-T163 HydrophobicContact CD1-CG2 4.29Å; L117-T163 HydrophobicContact CD2-CG2 3.82Å; L117-T163 HydrophobicContact CG-CG2 4.34Å; L148-T163 HydrophobicContact CD1-CG2 3.9Å; F151-T163 HydrophobicContact CB-CG2 3.83Å; I161-T163 HydrophobicContact CG2-CG2 4.42Å; T163-C170 CarbonylContact O-C 3.54Å; T163-C170 VanDerWaalsContact O-CA 3.24Å; T163-C170 WeakPolarHBondContact O-CA 3.24Å; T163-T171 PolarHBondContact N-O 3.06Å; T163-T171 PolarHBondContact O-N 2.68Å; T163-T171 WeakPolarHBondContact OG1-CB 3.14Å; T163-T171 PolarHBondContact OG1-O 2.86Å; T163-W173 VanDerWaalsContact CG2-NE1 3.33Å; T163-W173 PolarHBondContact OG1-NE1 2.88Å; T163-W173 VanDerWaalsContact OG1-NE1 3.08Å
164A97.8Very high94.6Very high0 Ų021 Ų210%011%0.107CC..EExtended strand (participates in β ladder)trans-99.5146.8168.200000110.4L148 T149 S150 V206 F209L148-A164 CarbonylContact C-O 3.55Å; L148-A164 VanDerWaalsContact CA-O 3.27Å; L148-A164 WeakPolarHBondContact CA-O 3.42Å; T149-A164 PolarHBondContact N-O 2.86Å; T149-A164 VanDerWaalsContact OG1-C 3.31Å; T149-A164 WeakPolarHBondContact OG1-CB 3.42Å; T149-A164 PolarHBondContact OG1-O 3.34Å; S150-A164 PolarHBondContact O-N 2.87Å; A164-V206 HydrophobicContact CB-CB 3.96Å; A164-V206 HydrophobicContact CB-CG1 3.6Å; A164-F209 HydrophobicContact CB-CB 4.07Å
165S96.8Very high94.4Very high4 Ų421.2 Ų21.23%0.02811%0.108CC..EExtended strand (participates in β ladder)trans-139.6156.5179.5-174.60000112.3A146 P147 D167 T168 T169 V206A146-S165 WeakPolarHBondContact CB-OG 3.46Å; A146-S165 PolarHBondContact O-OG 3.06Å; P147-S165 PolarHBondContact O-OG 2.98Å; S165-D167 VanDerWaalsContact CB-OD1 3.3Å; S165-D167 WeakPolarHBondContact CB-OD1 3.46Å; S165-D167 PolarHBondContact O-N 2.82Å; S165-D167 PolarHBondContact OG-N 3.31Å; S165-D167 PolarHBondContact OG-OD1 2.69Å; S165-T168 PolarHBondContact O-N 3.12Å; S165-T169 PolarHBondContact N-O 3.01Å; S165-V206 WeakPolarHBondContact O-CB 3.08Å; S165-V206 PolarHBondContact O-N 3.2Å; S165-V206 VanDerWaalsContact O-N 3.08Å
166I95.5Very high93.9Very high66 Ų6624 Ų2434%0.33812%0.121SC..THydrogen-bonded Turntrans-66.5-17173.467.8167.4000112.7A146 P147 T149 T168 E205A146-I166 HydrophobicContact CB-CG1 3.8Å; P147-I166 HydrophobicContact CG-CD1 3.53Å; P147-I166 HydrophobicContact CG-CG1 3.87Å; P147-I166 PolarHBondContact O-N 3.34Å; T149-I166 HydrophobicContact CG2-CG2 3.43Å; T149-I166 VanDerWaalsContact CG2-CG2 3.43Å; I166-T168 PolarHBondContact O-N 2.76Å; I166-E205 HydrophobicContact CB-CB 4.4Å; I166-E205 HydrophobicContact CB-CG 3.95Å; I166-E205 HydrophobicContact CG2-CG 4.43Å; I166-E205 WeakPolarHBondContact O-CG 3.17Å
167D93.9Very high92.6Very high58 Ų5822 Ų2231%0.3111%0.111SC..THydrogen-bonded Turntrans-77.42017769.44.8000114.5A146 S165 T169A146-D167 HydrophobicContact CB-CB 3.51Å; S165-D167 VanDerWaalsContact CB-OD1 3.3Å; S165-D167 WeakPolarHBondContact CB-OD1 3.46Å; S165-D167 PolarHBondContact O-N 2.82Å; S165-D167 PolarHBondContact OG-N 3.31Å; S165-D167 PolarHBondContact OG-OD1 2.69Å; D167-T169 PolarHBondContact O-N 2.67Å; D167-T169 VanDerWaalsContact OD1-CB 3.28Å; D167-T169 WeakPolarHBondContact OD1-CB 3.28Å; D167-T169 WeakPolarHBondContact OD1-CG2 3.45Å; D167-T169 PolarHBondContact OD1-N 2.83Å; D167-T169 PolarHBondContact OD1-OG1 3.23Å; D167-T169 PolarHBondContact OD2-OG1 3.1Å
168T95.8Very high90.7Very high37 Ų3724.1 Ų24.123%0.22714%0.141CC..SBendtrans71.60.6-177.779.50000115.2S165 I166 A201 H202 K204 V206S165-T168 PolarHBondContact O-N 3.12Å; I166-T168 PolarHBondContact O-N 2.76Å; T168-A201 PolarHBondContact O-N 3.17Å; T168-H202 WeakPolarHBondContact CB-O 3.08Å; T168-H202 PolarHBondContact O-N 3.4Å; T168-K204 WeakPolarHBondContact CA-O 3.26Å; T168-K204 WeakPolarHBondContact CB-O 3.22Å; T168-K204 WeakPolarHBondContact CG2-O 3.3Å; T168-V206 WeakPolarHBondContact O-CG2 3.49Å
169T95.7Very high88.8Confident13 Ų1327.8 Ų27.88%0.0816%0.156CC..EExtended strand (participates in β ladder)trans-100.6151.3-174.274.70000114.5S165 D167 Q198 L199 I200S165-T169 PolarHBondContact N-O 3.01Å; D167-T169 PolarHBondContact O-N 2.67Å; D167-T169 VanDerWaalsContact OD1-CB 3.28Å; D167-T169 WeakPolarHBondContact OD1-CB 3.28Å; D167-T169 WeakPolarHBondContact OD1-CG2 3.45Å; D167-T169 PolarHBondContact OD1-N 2.83Å; D167-T169 PolarHBondContact OD1-OG1 3.23Å; D167-T169 PolarHBondContact OD2-OG1 3.1Å; T169-Q198 HydrophobicContact CG2-CG 4.45Å; T169-Q198 PolarHBondContact OG1-NE2 2.94Å; T169-Q198 VanDerWaalsContact OG1-NE2 3.1Å; T169-L199 CarbonylContact C-O 3.23Å; T169-L199 WeakPolarHBondContact CA-O 3.16Å; T169-L199 WeakPolarHBondContact CB-O 3.48Å; T169-I200 HydrophobicContact CG2-CG1 4.33Å
170C96.6Very high86.8Confident0 Ų033.8 Ų33.80%019%0.186CC..EExtended strand (participates in β ladder)trans-107.3134157.5-680000109.5T163 Q198 L199 A201 F209 F221T163-C170 CarbonylContact O-C 3.54Å; T163-C170 VanDerWaalsContact O-CA 3.24Å; T163-C170 WeakPolarHBondContact O-CA 3.24Å; C170-Q198 WeakPolarHBondContact O-CA 3.44Å; C170-L199 HydrophobicContact CB-CD2 4.49Å; C170-L199 HydrophobicContact CB-CG 4.3Å; C170-L199 PolarHBondContact N-O 2.87Å; C170-L199 PolarHBondContact O-N 3.22Å; C170-A201 HydrophobicContact CB-CB 4.12Å; C170-A201 WeakPolarHBondContact SG-CB 3.44Å; C170-F209 HydrophobicContact CB-CD2 4.25Å; C170-F209 HydrophobicContact CB-CE2 4.2Å; C170-F221 HydrophobicContact CB-CE2 4.47Å
171T95.6Very high84.9Confident2 Ų234.5 Ų34.51%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-115.3131.5175.5-55.30000110.1N135 G162 T163 W173 V195 Q198N135-T171 PolarHBondContact ND2-OG1 2.86Å; G162-T171 CarbonylContact C-O 3.53Å; G162-T171 WeakPolarHBondContact CA-O 3.19Å; T163-T171 PolarHBondContact N-O 3.06Å; T163-T171 PolarHBondContact O-N 2.68Å; T163-T171 WeakPolarHBondContact OG1-CB 3.14Å; T163-T171 PolarHBondContact OG1-O 2.86Å; T171-W173 HydrophobicContact CG2-CD2 4Å; T171-W173 VanDerWaalsContact CG2-CE2 3.44Å; T171-W173 HydrophobicContact CG2-CG 4.48Å; T171-W173 HydrophobicContact CG2-CH2 4.27Å; T171-W173 HydrophobicContact CG2-CZ2 3.61Å; T171-V195 HydrophobicContact CG2-CG1 3.85Å; T171-V195 HydrophobicContact CG2-CG2 4.21Å; T171-Q198 HydrophobicContact CG2-CB 4.33Å; T171-Q198 WeakPolarHBondContact OG1-CG 3.21Å
172I95.6Very high82.6Confident0 Ų036 Ų360%021%0.205CC..EExtended strand (participates in β ladder)trans-106.4119.5176.6-49.9-66.6000107.9I160 K196 T197 F209 F211 F221 L235I160-I172 HydrophobicContact CG2-CG2 3.69Å; I172-K196 HydrophobicContact CG2-CB 4.33Å; I172-K196 HydrophobicContact CG2-CD 4.22Å; I172-K196 WeakPolarHBondContact O-CA 3.47Å; I172-K196 WeakPolarHBondContact O-CB 3.37Å; I172-K196 PolarHBondContact O-N 2.9Å; I172-T197 HydrophobicContact CB-CG2 3.62Å; I172-T197 HydrophobicContact CG1-CG2 3.54Å; I172-T197 PolarHBondContact N-O 3.4Å; I172-T197 PolarHBondContact O-N 3.47Å; I172-F209 HydrophobicContact CD1-CE2 3.98Å; I172-F209 HydrophobicContact CD1-CZ 3.74Å; I172-F211 HydrophobicContact CD1-CZ 4.15Å; I172-F221 HydrophobicContact CD1-CD1 4.42Å; I172-F221 HydrophobicContact CD1-CE1 4.18Å; I172-F221 HydrophobicContact CD1-CZ 4.43Å; I172-L235 HydrophobicContact CB-CD2 4.38Å; I172-L235 HydrophobicContact CD1-CD2 3.97Å; I172-L235 HydrophobicContact CG1-CD2 3.61Å; I172-L235 HydrophobicContact CG2-CD1 4.44Å; I172-L235 HydrophobicContact CG2-CD2 4.21Å
173W94.3Very high80.3Confident9 Ų942.6 Ų42.63%0.03424%0.236CC..EExtended strand (participates in β ladder)trans-102.7139.2-178-55.291.2000109.5L117 L133 N135 I160 I161 T163 T171 V195L117-W173 HydrophobicContact CD2-CG 4.25Å; L133-W173 HydrophobicContact CB-CD2 4.03Å; L133-W173 HydrophobicContact CB-CE3 3.77Å; L133-W173 HydrophobicContact CB-CH2 3.91Å; L133-W173 HydrophobicContact CB-CZ2 4.2Å; L133-W173 HydrophobicContact CB-CZ3 3.69Å; L133-W173 HydrophobicContact CD2-CB 3.65Å; L133-W173 HydrophobicContact CD2-CD2 3.52Å; L133-W173 HydrophobicContact CD2-CE3 3.4Å; L133-W173 VanDerWaalsContact CD2-CE3 3.4Å; L133-W173 HydrophobicContact CD2-CG 3.66Å; L133-W173 HydrophobicContact CD2-CZ3 4.17Å; L133-W173 HydrophobicContact CG-CD2 4.42Å; L133-W173 HydrophobicContact CG-CE3 4.11Å; L133-W173 HydrophobicContact CG-CZ3 4.41Å; N135-W173 WeakPolarHBondContact OD1-CH2 3.26Å; I160-W173 WeakPolarHBondContact CA-O 3.41Å; I161-W173 HydrophobicContact CB-CB 4.48Å; I161-W173 PolarHBondContact N-O 2.77Å; I161-W173 VanDerWaalsContact N-O 3.08Å; I161-W173 PolarHBondContact O-N 2.87Å; T163-W173 VanDerWaalsContact CG2-NE1 3.33Å; T163-W173 PolarHBondContact OG1-NE1 2.88Å; T163-W173 VanDerWaalsContact OG1-NE1 3.08Å; T171-W173 HydrophobicContact CG2-CD2 4Å; T171-W173 VanDerWaalsContact CG2-CE2 3.44Å; T171-W173 HydrophobicContact CG2-CG 4.48Å; T171-W173 HydrophobicContact CG2-CH2 4.27Å; T171-W173 HydrophobicContact CG2-CZ2 3.61Å; W173-V195 HydrophobicContact CE3-CG2 3.75Å; W173-V195 HydrophobicContact CH2-CG2 3.75Å; W173-V195 HydrophobicContact CZ3-CB 4.48Å; W173-V195 HydrophobicContact CZ3-CG2 3.3Å
174R92.1Very high78Confident89 Ų8943.2 Ų43.234%0.33624%0.239SC..EExtended strand (participates in β ladder)trans-108.2121.3167.6-174.4166.6-172.882.5-1.9108.9D157 G159 A193 H194 K196D157-R174 IonicContact OD2-NH1 3.57Å; G159-R174 CarbonylContact O-C 3.58Å; G159-R174 VanDerWaalsContact O-CA 3.3Å; G159-R174 WeakPolarHBondContact O-CA 3.45Å; R174-A193 CarbonylContact O-C 3.37Å; R174-A193 WeakPolarHBondContact O-CA 3.46Å; R174-H194 PolarHBondContact N-O 3.02Å; R174-H194 PolarHBondContact O-N 2.93Å; R174-K196 HydrophobicContact CB-CB 4.34Å
175L90.5Very high75.4Confident5 Ų545.8 Ų45.83%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-82127.2169.7-54.9-175.9000108.6V119 L133 W153 G159 I161 I181 V191 A193V119-L175 HydrophobicContact CG2-CD2 4.35Å; L133-L175 HydrophobicContact CD2-CD2 4.13Å; W153-L175 HydrophobicContact CH2-CD1 3.89Å; W153-L175 HydrophobicContact CZ2-CD1 3.35Å; G159-L175 PolarHBondContact O-N 3.09Å; I161-L175 HydrophobicContact CD1-CD1 3.86Å; I161-L175 HydrophobicContact CD1-CD2 4.42Å; I161-L175 HydrophobicContact CD1-CG 4.35Å; I161-L175 HydrophobicContact CG1-CD1 4.34Å; L175-I181 HydrophobicContact CB-CD1 4.06Å; L175-V191 HydrophobicContact CB-CG1 4.18Å; L175-V191 HydrophobicContact CD2-CG1 4.49Å; L175-A193 HydrophobicContact CD2-CB 3.57Å
176E81.2Confident73.3Confident93 Ų9351 Ų5144%0.43529%0.294SS..EExtended strand (participates in β ladder)trans-116.1100.3171.8-67.8-174.2152.600107.6S192 H194E176-S192 CarbonylContact C-O 3.42Å; E176-S192 PolarHBondContact N-O 2.84Å; E176-S192 PolarHBondContact O-N 2.92Å; E176-S192 PolarHBondContact O-OG 2.95Å; E176-H194 IonicContact OE1-CE1 3.19Å; E176-H194 PolarHBondContact OE1-CE1 3.43Å; E176-H194 IonicContact OE1-ND1 3.75Å; E176-H194 IonicContact OE2-CE1 3.83Å; E176-H194 IonicContact OE2-ND1 3.56Å
177T64.5Low71Confident15 Ų1554.4 Ų54.49%0.09231%0.313CS..EExtended strand (participates in β ladder)trans-75.8138.8158.447.30000106.8Q179 I181 V184 V191T177-Q179 CarbonylContact C-O 3.35Å; T177-Q179 VanDerWaalsContact CB-O 3.23Å; T177-Q179 WeakPolarHBondContact CB-O 3.41Å; T177-Q179 CarbonylContact O-C 3.5Å; T177-Q179 PolarHBondContact O-N 2.98Å; T177-Q179 PolarHBondContact OG1-O 2.78Å; T177-I181 HydrophobicContact CG2-CG1 3.81Å; T177-I181 VanDerWaalsContact OG1-CA 3.28Å; T177-I181 WeakPolarHBondContact OG1-CA 3.41Å; T177-I181 WeakPolarHBondContact OG1-CG1 3.35Å; T177-I181 PolarHBondContact OG1-N 2.88Å; T177-V184 HydrophobicContact CG2-CG2 3.9Å; T177-V191 HydrophobicContact CG2-CB 4.18Å; T177-V191 HydrophobicContact CG2-CG1 3.89Å; T177-V191 HydrophobicContact CG2-CG2 3.77Å
178G51Low69.1Low78 Ų7853.9 Ų53.980%0.80432%0.321SS*.SBendtrans-57.6-1.2179.900000115.4
179Q50.5Low67.3Low111 Ų11153.9 Ų53.952%0.51933%0.328SS..SBendtrans-135.9151.4167.3-66.9177.5-25.600107.3T177 I181 Q183T177-Q179 CarbonylContact C-O 3.35Å; T177-Q179 VanDerWaalsContact CB-O 3.23Å; T177-Q179 WeakPolarHBondContact CB-O 3.41Å; T177-Q179 CarbonylContact O-C 3.5Å; T177-Q179 PolarHBondContact O-N 2.98Å; T177-Q179 PolarHBondContact OG1-O 2.78Å; Q179-I181 PolarHBondContact O-N 2.91Å; Q179-Q183 PolarHBondContact OE1-O 3.13Å
180I50.9Low66.1Low128 Ų12862.2 Ų62.266%0.65636%0.358SS*.  trans-44.6130.3176.6-63.1163.2000109.4G182 Q183 V184I180-G182 PolarHBondContact O-N 3.13Å; I180-Q183 WeakPolarHBondContact O-CA 3.33Å; I180-Q183 PolarHBondContact O-N 3.37Å; I180-V184 PolarHBondContact O-N 2.77Å
181I53.7Low65.1Low16 Ų1662.4 Ų62.48%0.08236%0.359CS..G310 helixtrans-50.9-31.3-168.8-65.7166.4000113.2I99 C106 V158 L175 T177 Q179 Q183 V184I99-I181 HydrophobicContact CD1-CG2 3.94Å; C106-I181 WeakPolarHBondContact CA-O 3.26Å; C106-I181 HydrophobicContact CB-CG2 4.02Å; C106-I181 WeakPolarHBondContact CB-O 3.34Å; C106-I181 PolarHBondContact SG-O 2.85Å; C106-I181 VanDerWaalsContact SG-O 3.42Å; V158-I181 HydrophobicContact CG2-CB 4.12Å; V158-I181 HydrophobicContact CG2-CG2 3.74Å; L175-I181 HydrophobicContact CB-CD1 4.06Å; T177-I181 HydrophobicContact CG2-CG1 3.81Å; T177-I181 VanDerWaalsContact OG1-CA 3.28Å; T177-I181 WeakPolarHBondContact OG1-CA 3.41Å; T177-I181 WeakPolarHBondContact OG1-CG1 3.35Å; T177-I181 PolarHBondContact OG1-N 2.88Å; Q179-I181 PolarHBondContact O-N 2.91Å; I181-Q183 VanDerWaalsContact C-N 3.34Å; I181-Q183 PolarHBondContact O-N 2.92Å; I181-V184 WeakPolarHBondContact O-CG2 3.44Å
182G48.7Very low64.4Low31 Ų3165.1 Ų65.132%0.3238%0.379SS..G310 helixtrans-82.36.5174.100000117I180I180-G182 PolarHBondContact O-N 3.13Å
183Q47Very low63.9Low139 Ų13966.8 Ų66.865%0.6539%0.392SS*.G310 helixtrans-129.112.3175.8-67.2-164.9-55.800112.3Q179 I180 I181 S185Q179-Q183 PolarHBondContact OE1-O 3.13Å; I180-Q183 WeakPolarHBondContact O-CA 3.33Å; I180-Q183 PolarHBondContact O-N 3.37Å; I181-Q183 VanDerWaalsContact C-N 3.34Å; I181-Q183 PolarHBondContact O-N 2.92Å; Q183-S185 VanDerWaalsContact C-N 3.32Å; Q183-S185 PolarHBondContact O-N 2.84Å
184V50.9Low63.5Low13 Ų1369.9 Ų69.98%0.07941%0.407CS..  trans-66.299.4176.2-173.30000107.4S107 T177 I180 I181S107-V184 WeakPolarHBondContact OG-CB 3.24Å; S107-V184 WeakPolarHBondContact OG-CG1 3.42Å; T177-V184 HydrophobicContact CG2-CG2 3.9Å; I180-V184 PolarHBondContact O-N 2.77Å; I181-V184 WeakPolarHBondContact O-CG2 3.44Å
185S43.1Very low63.4Low55 Ų5566.9 Ų66.939%0.38540%0.399SS..  trans-49.9144.7166.7176.60000108Q183 N187Q183-S185 VanDerWaalsContact C-N 3.32Å; Q183-S185 PolarHBondContact O-N 2.84Å; S185-N187 PolarHBondContact O-N 3.23Å
186S51.5Low63.4Low114 Ų11471 Ų7180%0.79742%0.416SS*.THydrogen-bonded Turntrans-48-11.8172.147.70000114.2G188S186-G188 PolarHBondContact O-N 2.86Å
187N48.6Very low64Low137 Ų13768.1 Ų68.173%0.73341%0.405SS*.THydrogen-bonded Turntrans-7633.9-178.7-63.7-7.3000115.9S185 G189S185-N187 PolarHBondContact O-N 3.23Å; N187-G189 PolarHBondContact O-N 3.22Å
188G52.9Low65.3Low47 Ų4770.6 Ų70.649%0.48542%0.416SS..THydrogen-bonded Turntrans68.529.3152.200000118.1S186 R190S186-G188 PolarHBondContact O-N 2.86Å; G188-R190 PolarHBondContact O-N 2.96Å
189G59.1Low67.4Low36 Ų3668 Ų6837%0.37138%0.383SS..PPolyproline II helixtrans-64.3120.4170.300000110.9R121 N187 V191R121-G189 PolarHBondContact NH2-O 2.76Å; N187-G189 PolarHBondContact O-N 3.22Å; G189-V191 PolarHBondContact O-N 3.14Å
190R70.2Confident69.5Low188 Ų18868.6 Ų68.671%0.70939%0.389SS*.PPolyproline II helixtrans-57.1134.4179.7-70.6-173.578.8175.35.2111E130 G188E130-R190 VanDerWaalsContact OE2-CA 3.25Å; E130-R190 WeakPolarHBondContact OE2-CA 3.33Å; G188-R190 PolarHBondContact O-N 2.96Å
191V76.1Confident71.6Confident4 Ų462.6 Ų62.62%0.02436%0.358CS..EExtended strand (participates in β ladder)trans-75.4126.3167.8-166.80000108.2L109 E130 C131 L175 T177 G189L109-V191 HydrophobicContact CD1-CG2 4.02Å; L109-V191 HydrophobicContact CD2-CG2 4.11Å; E130-V191 HydrophobicContact CB-CB 3.93Å; E130-V191 HydrophobicContact CB-CG2 3.93Å; E130-V191 HydrophobicContact CG-CB 4.5Å; E130-V191 HydrophobicContact CG-CG2 3.96Å; E130-V191 WeakPolarHBondContact OE2-CG2 3.33Å; E130-V191 PolarHBondContact OE2-N 3.14Å; C131-V191 WeakPolarHBondContact CB-O 3.41Å; L175-V191 HydrophobicContact CB-CG1 4.18Å; L175-V191 HydrophobicContact CD2-CG1 4.49Å; T177-V191 HydrophobicContact CG2-CB 4.18Å; T177-V191 HydrophobicContact CG2-CG1 3.89Å; T177-V191 HydrophobicContact CG2-CG2 3.77Å; G189-V191 PolarHBondContact O-N 3.14Å
192S80.5Confident73.7Confident60 Ų6061.8 Ų61.842%0.4235%0.354SS..EExtended strand (participates in β ladder)trans-108.6162.8166.467.80000109.3E176E176-S192 CarbonylContact C-O 3.42Å; E176-S192 PolarHBondContact N-O 2.84Å; E176-S192 PolarHBondContact O-N 2.92Å; E176-S192 PolarHBondContact O-OG 2.95Å
193A83.9Confident75.9Confident34 Ų3466.4 Ų66.428%0.28137%0.371SS..EExtended strand (participates in β ladder)trans-148.8151.8177.200000111L133 R174 L175L133-A193 HydrophobicContact CD1-CB 4.41Å; L133-A193 HydrophobicContact CD2-CB 3.29Å; L133-A193 HydrophobicContact CG-CB 3.78Å; R174-A193 CarbonylContact O-C 3.37Å; R174-A193 WeakPolarHBondContact O-CA 3.46Å; L175-A193 HydrophobicContact CD2-CB 3.57Å
194H86.6Confident78.3Confident74 Ų7464.5 Ų64.534%0.34336%0.361SS..EExtended strand (participates in β ladder)trans-139.5157175.263.3-95000110.9R174 E176 K196R174-H194 PolarHBondContact N-O 3.02Å; R174-H194 PolarHBondContact O-N 2.93Å; E176-H194 IonicContact OE1-CE1 3.19Å; E176-H194 PolarHBondContact OE1-CE1 3.43Å; E176-H194 IonicContact OE1-ND1 3.75Å; E176-H194 IonicContact OE2-CE1 3.83Å; E176-H194 IonicContact OE2-ND1 3.56Å; H194-K196 PolarHBondContact O-N 2.69Å
195V90.1Very high80.6Confident27 Ų2767.6 Ų67.616%0.16437%0.374CS..EExtended strand (participates in β ladder)trans-70.4110.7174.1179.30000108.7N135 T171 W173 Q198N135-V195 VanDerWaalsContact OD1-CG2 3.22Å; N135-V195 WeakPolarHBondContact OD1-CG2 3.23Å; T171-V195 HydrophobicContact CG2-CG1 3.85Å; T171-V195 HydrophobicContact CG2-CG2 4.21Å; W173-V195 HydrophobicContact CE3-CG2 3.75Å; W173-V195 HydrophobicContact CH2-CG2 3.75Å; W173-V195 HydrophobicContact CZ3-CB 4.48Å; W173-V195 HydrophobicContact CZ3-CG2 3.3Å; V195-Q198 HydrophobicContact CG1-CB 4.35Å
196K91.2Very high83.2Confident91 Ų9165 Ų6540%0.39636%0.356SS..EExtended strand (participates in β ladder)trans-70.1-46.6171.3-178.4-178.9176.5-174.50110.1I172 R174 H194I172-K196 HydrophobicContact CG2-CB 4.33Å; I172-K196 HydrophobicContact CG2-CD 4.22Å; I172-K196 WeakPolarHBondContact O-CA 3.47Å; I172-K196 WeakPolarHBondContact O-CB 3.37Å; I172-K196 PolarHBondContact O-N 2.9Å; R174-K196 HydrophobicContact CB-CB 4.34Å; H194-K196 PolarHBondContact O-N 2.69Å
197T92.5Very high85.4Confident33 Ų3362.5 Ų62.520%0.20233%0.33CS..EExtended strand (participates in β ladder)trans-158.4157.8175.4-173.40000110.5I172 L235 L238I172-T197 HydrophobicContact CB-CG2 3.62Å; I172-T197 HydrophobicContact CG1-CG2 3.54Å; I172-T197 PolarHBondContact N-O 3.4Å; I172-T197 PolarHBondContact O-N 3.47Å; T197-L235 HydrophobicContact CG2-CD2 4.28Å; T197-L238 HydrophobicContact CG2-CD1 3.71Å
198Q93Very high87.8Confident67 Ų6756.3 Ų56.331%0.31330%0.297SS..EExtended strand (participates in β ladder)trans-138135.4169.4-177.9178.314.900107.2N135 T169 C170 T171 V195N135-Q198 PolarHBondContact ND2-NE2 3.46Å; T169-Q198 HydrophobicContact CG2-CG 4.45Å; T169-Q198 PolarHBondContact OG1-NE2 2.94Å; T169-Q198 VanDerWaalsContact OG1-NE2 3.1Å; C170-Q198 WeakPolarHBondContact O-CA 3.44Å; T171-Q198 HydrophobicContact CG2-CB 4.33Å; T171-Q198 WeakPolarHBondContact OG1-CG 3.21Å; V195-Q198 HydrophobicContact CG1-CB 4.35Å
199L94Very high89.9Confident22 Ų2254.1 Ų54.112%0.11527%0.274CS..EExtended strand (participates in β ladder)trans-136.3150.5-178.462.8120.5000110.6T169 C170 A201 F221 F233 L238T169-L199 CarbonylContact C-O 3.23Å; T169-L199 WeakPolarHBondContact CA-O 3.16Å; T169-L199 WeakPolarHBondContact CB-O 3.48Å; C170-L199 HydrophobicContact CB-CD2 4.49Å; C170-L199 HydrophobicContact CB-CG 4.3Å; C170-L199 PolarHBondContact N-O 2.87Å; C170-L199 PolarHBondContact O-N 3.22Å; L199-A201 HydrophobicContact CD1-CB 3.9Å; L199-A201 PolarHBondContact O-N 3.49Å; L199-F221 HydrophobicContact CD2-CZ 3.89Å; L199-F233 HydrophobicContact CD1-CD1 3.64Å; L199-F233 HydrophobicContact CD1-CE1 3.4Å; L199-F233 HydrophobicContact CD1-CG 4.47Å; L199-F233 HydrophobicContact CD1-CZ 4.09Å; L199-L238 HydrophobicContact CD2-CD2 3.97Å
200I94.5Very high91.8Very high125 Ų12552.7 Ų52.764%0.64126%0.259SS*.EExtended strand (participates in β ladder)trans-75.5113.1164.9-61172.2000106.1T169 H202T169-I200 HydrophobicContact CG2-CG1 4.33Å; I200-H202 WeakPolarHBondContact CG2-O 3.28Å
201A96.6Very high93.1Very high1 Ų143.8 Ų43.81%0.00823%0.225CC..  trans-92.8-40.8-173.600000111.6T168 C170 L199 V206 R231 F233T168-A201 PolarHBondContact O-N 3.17Å; C170-A201 HydrophobicContact CB-CB 4.12Å; C170-A201 WeakPolarHBondContact SG-CB 3.44Å; L199-A201 HydrophobicContact CD1-CB 3.9Å; L199-A201 PolarHBondContact O-N 3.49Å; A201-V206 HydrophobicContact CB-CG2 4.15Å; A201-R231 WeakPolarHBondContact O-CD 3.3Å; A201-R231 PolarHBondContact O-NH1 3.38Å; A201-F233 HydrophobicContact CB-CE1 4.41Å; A201-F233 HydrophobicContact CB-CE2 4.31Å; A201-F233 HydrophobicContact CB-CZ 3.77Å
202H97.2Very high94Very high0 Ų043.7 Ų43.70%022%0.224CC..  trans-128166.3-176.4-71.7-97.2000110.6T168 I200 K204 V206 S223 D227 S229T168-H202 WeakPolarHBondContact CB-O 3.08Å; T168-H202 PolarHBondContact O-N 3.4Å; I200-H202 WeakPolarHBondContact CG2-O 3.28Å; H202-K204 WeakPolarHBondContact CB-O 3.46Å; H202-V206 HydrophobicContact CB-CG2 4.26Å; H202-S223 PolarHBondContact CD2-OG 2.92Å; H202-S223 PolarHBondContact NE2-O 2.98Å; H202-S223 PolarHBondContact NE2-OG 3.14Å; H202-D227 WeakPolarHBondContact CB-OD2 3.34Å; H202-D227 IonicContact CE1-OD1 3.78Å; H202-D227 IonicContact CG-OD1 3.79Å; H202-D227 IonicContact CG-OD2 2.64Å; H202-D227 VanDerWaalsContact ND1-CG 3.3Å; H202-D227 IonicContact ND1-OD1 2.69Å; H202-D227 PolarHBondContact ND1-OD1 2.92Å; H202-D227 IonicContact ND1-OD2 3.52Å; H202-D227 PolarHBondContact ND1-OD2 3.39Å; H202-S229 PolarHBondContact CE1-O 3.4Å; H202-S229 PolarHBondContact CE1-OG 2.76Å; H202-S229 PolarHBondContact ND1-OG 2.6Å
203D95Very high94.5Very high127 Ų12744.5 Ų44.568%0.67922%0.22SC*.SBendtrans-84.8-4.8175.5-57.5-53.7000112.4R231D203-R231 IonicContact OD2-CZ 2.79Å; D203-R231 IonicContact OD2-NH1 3.99Å; D203-R231 IonicContact OD2-NH2 3.78Å; D203-R231 PolarHBondContact OD2-NH2 2.98Å
204K97.7Very high94.7Very high99 Ų9944.1 Ų44.143%0.4322%0.216SC..SBendtrans-140.7-174175.6-61.9-175.1-176.2170.20109.9T168 H202 V206 A226 D227T168-K204 WeakPolarHBondContact CA-O 3.26Å; T168-K204 WeakPolarHBondContact CB-O 3.22Å; T168-K204 WeakPolarHBondContact CG2-O 3.3Å; H202-K204 WeakPolarHBondContact CB-O 3.46Å; K204-V206 PolarHBondContact O-N 3.03Å; K204-A226 HydrophobicContact CB-CB 3.8Å; K204-A226 HydrophobicContact CD-CB 4.13Å; K204-A226 WeakPolarHBondContact CD-O 3.22Å; K204-D227 HydrophobicContact CB-CB 4.38Å; K204-D227 HydrophobicContact CD-CB 4.48Å; K204-D227 HydrophobicContact CG-CB 4.39Å
205E97.8Very high94.5Very high78 Ų7844.3 Ų44.336%0.36423%0.23SC..  trans-50136.4-178.7-61.676.8-176.900112I166 Y207 G225 A226I166-E205 HydrophobicContact CB-CB 4.4Å; I166-E205 HydrophobicContact CB-CG 3.95Å; I166-E205 HydrophobicContact CG2-CG 4.43Å; I166-E205 WeakPolarHBondContact O-CG 3.17Å; E205-Y207 HydrophobicContact CB-CD1 4.22Å; E205-Y207 HydrophobicContact CB-CE1 3.63Å; E205-Y207 HydrophobicContact CG-CE1 4.4Å; E205-G225 CarbonylContact O-C 3.44Å; E205-G225 WeakPolarHBondContact O-CA 3.47Å; E205-A226 HydrophobicContact CB-CB 4.19Å; E205-A226 PolarHBondContact O-N 3.28Å; E205-A226 WeakPolarHBondContact OE2-CB 3.4Å
206V98.4Very high94.4Very high0 Ų050 Ų500%026%0.259CS..EExtended strand (participates in β ladder)trans-91.6126.1172.1-166.20000107.9T149 A164 S165 T168 A201 H202 K204 V224T149-V206 WeakPolarHBondContact CB-O 3.27Å; T149-V206 WeakPolarHBondContact CG2-O 3.35Å; T149-V206 PolarHBondContact OG1-O 2.9Å; A164-V206 HydrophobicContact CB-CB 3.96Å; A164-V206 HydrophobicContact CB-CG1 3.6Å; S165-V206 WeakPolarHBondContact O-CB 3.08Å; S165-V206 PolarHBondContact O-N 3.2Å; S165-V206 VanDerWaalsContact O-N 3.08Å; T168-V206 WeakPolarHBondContact O-CG2 3.49Å; A201-V206 HydrophobicContact CB-CG2 4.15Å; H202-V206 HydrophobicContact CB-CG2 4.26Å; K204-V206 PolarHBondContact O-N 3.03Å; V206-V224 WeakPolarHBondContact CG1-O 3.36Å
207Y98Very high94.2Very high62 Ų6247.8 Ų47.824%0.24325%0.251CS..EExtended strand (participates in β ladder)trans-100.6-34.8-176.1-66.6-34.9000113.8T149 E205 V224 A226 P252 L253 L254T149-Y207 WeakPolarHBondContact CB-O 3.29Å; T149-Y207 HydrophobicContact CG2-CD1 4.32Å; T149-Y207 PolarHBondContact OG1-O 2.77Å; E205-Y207 HydrophobicContact CB-CD1 4.22Å; E205-Y207 HydrophobicContact CB-CE1 3.63Å; E205-Y207 HydrophobicContact CG-CE1 4.4Å; Y207-V224 PolarHBondContact N-O 3.42Å; Y207-A226 HydrophobicContact CE2-CB 3.66Å; Y207-A226 WeakPolarHBondContact OH-CB 3.43Å; Y207-P252 HydrophobicContact CE2-CB 4.02Å; Y207-L253 WeakPolarHBondContact CD2-O 3.36Å; Y207-L254 HydrophobicContact CD2-CD2 3.98Å; Y207-L254 HydrophobicContact CE2-CD2 4.12Å
208D98.1Very high94.1Very high8 Ų851.7 Ų51.74%0.04326%0.261CS..EExtended strand (participates in β ladder)trans-148.6160.4180-157.69.1000112.2K95 S150 S223 V224 R255 I256K95-D208 IonicContact NZ-OD1 3.51Å; S150-D208 WeakPolarHBondContact CB-OD1 3.21Å; S150-D208 PolarHBondContact OG-OD1 3.45Å; D208-S223 VanDerWaalsContact O-CA 3.26Å; D208-S223 WeakPolarHBondContact O-CA 3.48Å; D208-S223 WeakPolarHBondContact O-CB 3.41Å; D208-V224 HydrophobicContact CB-CG2 3.6Å; D208-V224 PolarHBondContact N-O 3.04Å; D208-V224 PolarHBondContact O-N 3.37Å; D208-R255 WeakPolarHBondContact OD2-CA 3.41Å; D208-I256 HydrophobicContact CB-CG2 3.95Å; D208-I256 PolarHBondContact OD2-N 2.87Å
209F97.8Very high94.1Very high1 Ų149.6 Ų49.60%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-147.7136.6-171.6178.2-73.8000109.2D152 A164 C170 I172 F211 F221 A222D152-F209 HydrophobicContact CB-CD1 3.77Å; D152-F209 HydrophobicContact CB-CE1 4.19Å; A164-F209 HydrophobicContact CB-CB 4.07Å; C170-F209 HydrophobicContact CB-CD2 4.25Å; C170-F209 HydrophobicContact CB-CE2 4.2Å; I172-F209 HydrophobicContact CD1-CE2 3.98Å; I172-F209 HydrophobicContact CD1-CZ 3.74Å; F209-F211 HydrophobicContact CE1-CD1 4.24Å; F209-F211 AromaticContact CE1-CD2 3.69Å; F209-F211 HydrophobicContact CE1-CD2 3.69Å; F209-F211 HydrophobicContact CE1-CE1 4.07Å; F209-F211 AromaticContact CE1-CE2 3.53Å; F209-F211 HydrophobicContact CE1-CE2 3.53Å; F209-F211 HydrophobicContact CE1-CG 4.04Å; F209-F211 AromaticContact CE1-CZ 3.71Å; F209-F211 HydrophobicContact CE1-CZ 3.71Å; F209-F211 HydrophobicContact CZ-CD1 4.39Å; F209-F211 HydrophobicContact CZ-CD2 4.47Å; F209-F211 AromaticContact CZ-CE1 3.9Å; F209-F211 HydrophobicContact CZ-CE1 3.9Å; F209-F211 HydrophobicContact CZ-CE2 4.03Å; F209-F211 AromaticContact CZ-CZ 3.7Å; F209-F211 HydrophobicContact CZ-CZ 3.7Å; F209-F221 AromaticContact CD2-CD2 3.78Å; F209-F221 HydrophobicContact CD2-CD2 3.78Å; F209-F221 HydrophobicContact CD2-CE2 4.16Å; F209-F221 HydrophobicContact CE1-CB 3.96Å; F209-F221 HydrophobicContact CE1-CD2 4.42Å; F209-F221 HydrophobicContact CE1-CG 4.33Å; F209-F221 HydrophobicContact CE2-CB 4.07Å; F209-F221 HydrophobicContact CE2-CD1 4.35Å; F209-F221 AromaticContact CE2-CD2 3.03Å; F209-F221 HydrophobicContact CE2-CD2 3.03Å; F209-F221 AromaticContact CE2-CE2 3.39Å; F209-F221 HydrophobicContact CE2-CE2 3.39Å; F209-F221 AromaticContact CE2-CG 3.57Å; F209-F221 HydrophobicContact CE2-CG 3.57Å; F209-F221 HydrophobicContact CE2-CZ 4.19Å; F209-F221 HydrophobicContact CZ-CB 3.49Å; F209-F221 VanDerWaalsContact CZ-CB 3.49Å; F209-F221 HydrophobicContact CZ-CD1 4.1Å; F209-F221 AromaticContact CZ-CD2 3.41Å; F209-F221 HydrophobicContact CZ-CD2 3.41Å; F209-F221 VanDerWaalsContact CZ-CD2 3.41Å; F209-F221 HydrophobicContact CZ-CE2 4.1Å; F209-F221 AromaticContact CZ-CG 3.39Å; F209-F221 HydrophobicContact CZ-CG 3.39Å; F209-A222 WeakPolarHBondContact CA-O 3.13Å
210A98.1Very high94.2Very high6 Ų649 Ų495%0.0525%0.25CC..EExtended strand (participates in β ladder)trans-143135.5174.500000112.5D152 F221 A222 I256 W258D152-A210 WeakPolarHBondContact OD2-CA 3.47Å; A210-F221 CarbonylContact O-C 3.48Å; A210-F221 VanDerWaalsContact O-CA 3.28Å; A210-F221 WeakPolarHBondContact O-CA 3.46Å; A210-F221 WeakPolarHBondContact O-CB 3.35Å; A210-A222 PolarHBondContact N-O 3.42Å; A210-A222 PolarHBondContact O-N 3.16Å; A210-I256 HydrophobicContact CB-CG2 3.93Å; A210-W258 HydrophobicContact CB-CB 4.32Å
211F97.5Very high94.4Very high1 Ų143 Ų430%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-80.4144.1168.1-76.7-69.1000111.4D152 N154 I160 I172 F209 F221 L235 K260D152-F211 HydrophobicContact CB-CD2 4.06Å; D152-F211 WeakPolarHBondContact O-CE2 3.27Å; D152-F211 PolarHBondContact OD2-N 3.36Å; N154-F211 HydrophobicContact CB-CD1 4.24Å; N154-F211 HydrophobicContact CB-CD2 3.67Å; N154-F211 HydrophobicContact CB-CE1 4.38Å; N154-F211 HydrophobicContact CB-CE2 3.78Å; N154-F211 HydrophobicContact CB-CG 3.92Å; N154-F211 HydrophobicContact CB-CZ 4.17Å; I160-F211 HydrophobicContact CG2-CE1 4.44Å; I160-F211 HydrophobicContact CG2-CE2 4.31Å; I160-F211 HydrophobicContact CG2-CZ 3.74Å; I172-F211 HydrophobicContact CD1-CZ 4.15Å; F209-F211 HydrophobicContact CE1-CD1 4.24Å; F209-F211 AromaticContact CE1-CD2 3.69Å; F209-F211 HydrophobicContact CE1-CD2 3.69Å; F209-F211 HydrophobicContact CE1-CE1 4.07Å; F209-F211 AromaticContact CE1-CE2 3.53Å; F209-F211 HydrophobicContact CE1-CE2 3.53Å; F209-F211 HydrophobicContact CE1-CG 4.04Å; F209-F211 AromaticContact CE1-CZ 3.71Å; F209-F211 HydrophobicContact CE1-CZ 3.71Å; F209-F211 HydrophobicContact CZ-CD1 4.39Å; F209-F211 HydrophobicContact CZ-CD2 4.47Å; F209-F211 AromaticContact CZ-CE1 3.9Å; F209-F211 HydrophobicContact CZ-CE1 3.9Å; F209-F211 HydrophobicContact CZ-CE2 4.03Å; F209-F211 AromaticContact CZ-CZ 3.7Å; F209-F211 HydrophobicContact CZ-CZ 3.7Å; F211-F221 HydrophobicContact CD1-CB 3.67Å; F211-F221 HydrophobicContact CE1-CB 3.94Å; F211-F221 HydrophobicContact CE1-CD1 4.32Å; F211-F221 HydrophobicContact CE1-CG 4.43Å; F211-F221 HydrophobicContact CG-CB 4.38Å; F211-L235 HydrophobicContact CE1-CD1 4.37Å; F211-K260 PolarHBondContact O-NZ 2.77Å
212S96.1Very high94.5Very high1 Ų143 Ų431%0.00722%0.219CC..  trans-68.3138.8164.3-178.20000110.2N156 S214 Q217 V220N156-S212 PolarHBondContact ND2-O 3.4Å; N156-S212 VanDerWaalsContact ND2-O 3.1Å; S212-S214 WeakPolarHBondContact OG-CB 3.47Å; S212-S214 PolarHBondContact OG-N 3.46Å; S212-S214 VanDerWaalsContact OG-N 3.17Å; S212-Q217 PolarHBondContact OG-OE1 2.9Å; S212-V220 PolarHBondContact N-O 2.77Å
213K90.5Very high94.5Very high78 Ų7843 Ų4334%0.33922%0.219SC..  trans-89-7.3171.2-168.8176.8-178.9156.70112.8E155 N156 A215 K260E155-K213 HydrophobicContact CB-CG 4.38Å; E155-K213 VanDerWaalsContact OE2-CD 3.24Å; E155-K213 WeakPolarHBondContact OE2-CD 3.16Å; E155-K213 WeakPolarHBondContact OE2-CE 3.24Å; E155-K213 IonicContact OE2-NZ 2.95Å; E155-K213 PolarHBondContact OE2-NZ 3.04Å; N156-K213 VanDerWaalsContact ND2-C 3.3Å; N156-K213 PolarHBondContact ND2-O 3.13Å; N156-K213 PolarHBondContact OD1-O 2.73Å; K213-A215 PolarHBondContact O-N 3.17Å; K213-K260 HydrophobicContact CB-CB 4.44Å; K213-K260 HydrophobicContact CB-CD 3.68Å; K213-K260 HydrophobicContact CD-CB 3.7Å; K213-K260 HydrophobicContact CD-CD 4.02Å; K213-K260 HydrophobicContact CD-CG 4.29Å; K213-K260 HydrophobicContact CG-CD 4.45Å
214S88.4Confident94.7Very high26 Ų2637 Ų3718%0.18219%0.186CC..  trans-60.3127179.3-1720000110.8N156 S212 N216 Q217 R218N156-S214 PolarHBondContact ND2-O 3.05Å; S212-S214 WeakPolarHBondContact OG-CB 3.47Å; S212-S214 PolarHBondContact OG-N 3.46Å; S212-S214 VanDerWaalsContact OG-N 3.17Å; S214-N216 PolarHBondContact O-N 3.23Å; S214-N216 VanDerWaalsContact O-N 3.13Å; S214-Q217 VanDerWaalsContact CB-OE1 3.27Å; S214-Q217 CarbonylContact O-C 3.55Å; S214-Q217 VanDerWaalsContact O-C 3.28Å; S214-Q217 WeakPolarHBondContact O-CA 3.48Å; S214-Q217 PolarHBondContact O-N 3.01Å; S214-R218 PolarHBondContact O-N 2.6Å
215A83Confident94.7Very high78 Ų7832.2 Ų32.265%0.64517%0.166SC*.G310 helixtrans-57.3-30.8178.100000112.3K213 Q217K213-A215 PolarHBondContact O-N 3.17Å; A215-Q217 VanDerWaalsContact C-N 3.31Å
216N86.9Confident94.7Very high145 Ų14528.8 Ų28.878%0.77515%0.151SC*.G310 helixtrans-81.5-9177.1-66-18.4000113.4S214S214-N216 PolarHBondContact O-N 3.23Å; S214-N216 VanDerWaalsContact O-N 3.13Å
217Q87.2Confident94.7Very high46 Ų4629.6 Ų29.622%0.21516%0.155CC..G310 helixtrans-126.434.7-179.1-51.3175.6-59.600111.3S212 S214 A215 D219 V220S212-Q217 PolarHBondContact OG-OE1 2.9Å; S214-Q217 VanDerWaalsContact CB-OE1 3.27Å; S214-Q217 CarbonylContact O-C 3.55Å; S214-Q217 VanDerWaalsContact O-C 3.28Å; S214-Q217 WeakPolarHBondContact O-CA 3.48Å; S214-Q217 PolarHBondContact O-N 3.01Å; A215-Q217 VanDerWaalsContact C-N 3.31Å; Q217-D219 PolarHBondContact O-N 2.8Å; Q217-V220 HydrophobicContact CB-CB 3.87Å; Q217-V220 HydrophobicContact CB-CG2 3.71Å; Q217-V220 HydrophobicContact CG-CG2 4.37Å; Q217-V220 WeakPolarHBondContact O-CB 3.36Å; Q217-V220 PolarHBondContact O-N 3.22Å
218R91.5Very high94.7Very high114 Ų11426.7 Ų26.743%0.4314%0.144SC..THydrogen-bonded Turntrans-55-23.6179.263.5171.4-74.21753.6114.8N154 N156 D157 S214N154-R218 PolarHBondContact ND2-O 3Å; N156-R218 HydrophobicContact CB-CB 3.78Å; D157-R218 IonicContact OD2-NH2 3.71Å; D157-R218 PolarHBondContact OD2-NH2 3.44Å; S214-R218 PolarHBondContact O-N 2.6Å
219D93Very high94.7Very high24 Ų2426.3 Ų26.313%0.12814%0.142CC..THydrogen-bonded Turntrans-101.44.7-178.1-68.8-56000112.1Q217 L235 R236Q217-D219 PolarHBondContact O-N 2.8Å; D219-L235 HydrophobicContact CB-CB 4.04Å; D219-L235 WeakPolarHBondContact O-CB 3.28Å; D219-L235 VanDerWaalsContact O-CG 3.25Å; D219-L235 WeakPolarHBondContact O-CG 3.42Å; D219-L235 PolarHBondContact O-N 2.77Å; D219-R236 HydrophobicContact CB-CG 4.05Å; D219-R236 WeakPolarHBondContact OD2-CD 3.4Å; D219-R236 IonicContact OD2-NE 3.54Å
220V96.2Very high94.7Very high9 Ų926.3 Ų26.36%0.05514%0.142CC..EExtended strand (participates in β ladder)trans-101.7136.7-176.4-179.20000110.8S212 Q217 M232 F233 D234 W258S212-V220 PolarHBondContact N-O 2.77Å; Q217-V220 HydrophobicContact CB-CB 3.87Å; Q217-V220 HydrophobicContact CB-CG2 3.71Å; Q217-V220 HydrophobicContact CG-CG2 4.37Å; Q217-V220 WeakPolarHBondContact O-CB 3.36Å; Q217-V220 PolarHBondContact O-N 3.22Å; V220-M232 HydrophobicContact CG1-CG 3.59Å; V220-M232 HydrophobicContact CG1-SD 3.66Å; V220-F233 VanDerWaalsContact CA-O 3.3Å; V220-F233 WeakPolarHBondContact CA-O 2.97Å; V220-D234 HydrophobicContact CG2-CB 4.48Å; V220-W258 HydrophobicContact CG1-CH2 3.8Å; V220-W258 HydrophobicContact CG1-CZ3 4.46Å
221F97.5Very high94.7Very high0 Ų027.4 Ų27.40%014%0.144CC..EExtended strand (participates in β ladder)trans-140.1165.8171.467.2-88.9000110.3C170 I172 L199 F209 A210 F211 M232 F233 L235 L238C170-F221 HydrophobicContact CB-CE2 4.47Å; I172-F221 HydrophobicContact CD1-CD1 4.42Å; I172-F221 HydrophobicContact CD1-CE1 4.18Å; I172-F221 HydrophobicContact CD1-CZ 4.43Å; L199-F221 HydrophobicContact CD2-CZ 3.89Å; F209-F221 AromaticContact CD2-CD2 3.78Å; F209-F221 HydrophobicContact CD2-CD2 3.78Å; F209-F221 HydrophobicContact CD2-CE2 4.16Å; F209-F221 HydrophobicContact CE1-CB 3.96Å; F209-F221 HydrophobicContact CE1-CD2 4.42Å; F209-F221 HydrophobicContact CE1-CG 4.33Å; F209-F221 HydrophobicContact CE2-CB 4.07Å; F209-F221 HydrophobicContact CE2-CD1 4.35Å; F209-F221 AromaticContact CE2-CD2 3.03Å; F209-F221 HydrophobicContact CE2-CD2 3.03Å; F209-F221 AromaticContact CE2-CE2 3.39Å; F209-F221 HydrophobicContact CE2-CE2 3.39Å; F209-F221 AromaticContact CE2-CG 3.57Å; F209-F221 HydrophobicContact CE2-CG 3.57Å; F209-F221 HydrophobicContact CE2-CZ 4.19Å; F209-F221 HydrophobicContact CZ-CB 3.49Å; F209-F221 VanDerWaalsContact CZ-CB 3.49Å; F209-F221 HydrophobicContact CZ-CD1 4.1Å; F209-F221 AromaticContact CZ-CD2 3.41Å; F209-F221 HydrophobicContact CZ-CD2 3.41Å; F209-F221 VanDerWaalsContact CZ-CD2 3.41Å; F209-F221 HydrophobicContact CZ-CE2 4.1Å; F209-F221 AromaticContact CZ-CG 3.39Å; F209-F221 HydrophobicContact CZ-CG 3.39Å; A210-F221 CarbonylContact O-C 3.48Å; A210-F221 VanDerWaalsContact O-CA 3.28Å; A210-F221 WeakPolarHBondContact O-CA 3.46Å; A210-F221 WeakPolarHBondContact O-CB 3.35Å; F211-F221 HydrophobicContact CD1-CB 3.67Å; F211-F221 HydrophobicContact CE1-CB 3.94Å; F211-F221 HydrophobicContact CE1-CD1 4.32Å; F211-F221 HydrophobicContact CE1-CG 4.43Å; F211-F221 HydrophobicContact CG-CB 4.38Å; F221-M232 WeakPolarHBondContact O-CA 3.44Å; F221-F233 HydrophobicContact CD1-CB 4.01Å; F221-F233 HydrophobicContact CD2-CB 4.11Å; F221-F233 AromaticContact CD2-CD2 3.87Å; F221-F233 HydrophobicContact CD2-CD2 3.87Å; F221-F233 HydrophobicContact CD2-CG 4.31Å; F221-F233 HydrophobicContact CE1-CB 3.43Å; F221-F233 VanDerWaalsContact CE1-CB 3.43Å; F221-F233 HydrophobicContact CE1-CG 4.24Å; F221-F233 HydrophobicContact CE2-CB 3.58Å; F221-F233 HydrophobicContact CE2-CD1 4.43Å; F221-F233 AromaticContact CE2-CD2 3.31Å; F221-F233 HydrophobicContact CE2-CD2 3.31Å; F221-F233 HydrophobicContact CE2-CE2 4.1Å; F221-F233 AromaticContact CE2-CG 3.53Å; F221-F233 HydrophobicContact CE2-CG 3.53Å; F221-F233 HydrophobicContact CG-CB 4.33Å; F221-F233 HydrophobicContact CZ-CB 3.21Å; F221-F233 HydrophobicContact CZ-CD1 4.19Å; F221-F233 AromaticContact CZ-CD2 3.82Å; F221-F233 HydrophobicContact CZ-CD2 3.82Å; F221-F233 AromaticContact CZ-CG 3.49Å; F221-F233 HydrophobicContact CZ-CG 3.49Å; F221-F233 VanDerWaalsContact CZ-CG 3.49Å; F221-F233 PolarHBondContact N-O 3.02Å; F221-F233 PolarHBondContact O-N 3.03Å; F221-L235 HydrophobicContact CD1-CD2 4Å; F221-L235 HydrophobicContact CD1-CG 4.14Å; F221-L235 HydrophobicContact CE1-CD2 3.54Å; F221-L235 HydrophobicContact CE1-CG 4.08Å; F221-L238 HydrophobicContact CE1-CD2 4.34Å
222A98.1Very high94.7Very high0 Ų029 Ų290%015%0.153CC..EExtended strand (participates in β ladder)trans-134.7153174.400000110.4F209 A210 R231 M232 I256 W258 I266F209-A222 WeakPolarHBondContact CA-O 3.13Å; A210-A222 PolarHBondContact N-O 3.42Å; A210-A222 PolarHBondContact O-N 3.16Å; A222-R231 CarbonylContact C-O 3.59Å; A222-R231 WeakPolarHBondContact CA-O 3.47Å; A222-R231 WeakPolarHBondContact CB-O 3.39Å; A222-M232 HydrophobicContact CB-CB 4.45Å; A222-I256 HydrophobicContact CB-CD1 3.46Å; A222-I256 VanDerWaalsContact CB-CD1 3.46Å; A222-W258 HydrophobicContact CB-CE3 4.17Å; A222-W258 HydrophobicContact CB-CH2 4.38Å; A222-W258 HydrophobicContact CB-CZ3 3.58Å; A222-I266 HydrophobicContact CB-CD1 4.32Å
223S98.5Very high94.7Very high0 Ų029.3 Ų29.30%015%0.154CC..EExtended strand (participates in β ladder)trans-135.7157.4177.458.70000111.3H202 D208 V230 R231 F233H202-S223 PolarHBondContact CD2-OG 2.92Å; H202-S223 PolarHBondContact NE2-O 2.98Å; H202-S223 PolarHBondContact NE2-OG 3.14Å; D208-S223 VanDerWaalsContact O-CA 3.26Å; D208-S223 WeakPolarHBondContact O-CA 3.48Å; D208-S223 WeakPolarHBondContact O-CB 3.41Å; S223-V230 WeakPolarHBondContact O-CA 3.26Å; S223-R231 PolarHBondContact N-O 3.06Å; S223-R231 PolarHBondContact O-N 3.42Å; S223-F233 WeakPolarHBondContact OG-CE2 3.34Å
224V98.5Very high95Very high0 Ų027.1 Ų27.10%015%0.146CC..EExtended strand (participates in β ladder)trans-126.3152.3173.3-70.30000110.2V206 Y207 D208 S229 V230 L253 I256V206-V224 WeakPolarHBondContact CG1-O 3.36Å; Y207-V224 PolarHBondContact N-O 3.42Å; D208-V224 HydrophobicContact CB-CG2 3.6Å; D208-V224 PolarHBondContact N-O 3.04Å; D208-V224 PolarHBondContact O-N 3.37Å; V224-S229 WeakPolarHBondContact CA-O 3.37Å; V224-V230 HydrophobicContact CG1-CB 4.29Å; V224-V230 HydrophobicContact CG1-CG1 4.38Å; V224-V230 HydrophobicContact CG1-CG2 3.73Å; V224-L253 HydrophobicContact CB-CB 3.78Å; V224-L253 HydrophobicContact CG1-CB 4.03Å; V224-L253 HydrophobicContact CG1-CD1 4.23Å; V224-I256 HydrophobicContact CG1-CB 3.95Å; V224-I256 HydrophobicContact CG1-CD1 4.28Å; V224-I256 HydrophobicContact CG1-CG1 4.4Å; V224-I256 HydrophobicContact CG2-CB 4.03Å; V224-I256 HydrophobicContact CG2-CG2 4.22Å
225G98.1Very high95.2Very high0 Ų026.9 Ų26.90%014%0.142CC..EExtended strand (participates in β ladder)trans-154-178.1-176.800000115E205 D227 G228 L253E205-G225 CarbonylContact O-C 3.44Å; E205-G225 WeakPolarHBondContact O-CA 3.47Å; G225-D227 PolarHBondContact O-N 2.89Å; G225-G228 PolarHBondContact O-N 2.84Å; G225-G228 VanDerWaalsContact O-N 3.09Å; G225-L253 PolarHBondContact O-N 3.38Å; G225-L253 VanDerWaalsContact O-N 3.07Å
226A98.3Very high95.7Very high5 Ų530 Ų304%0.04114%0.137CC..THydrogen-bonded Turntrans-68.8-9-179.800000114.1K204 E205 Y207K204-A226 HydrophobicContact CB-CB 3.8Å; K204-A226 HydrophobicContact CD-CB 4.13Å; K204-A226 WeakPolarHBondContact CD-O 3.22Å; E205-A226 HydrophobicContact CB-CB 4.19Å; E205-A226 PolarHBondContact O-N 3.28Å; E205-A226 WeakPolarHBondContact OE2-CB 3.4Å; Y207-A226 HydrophobicContact CE2-CB 3.66Å; Y207-A226 WeakPolarHBondContact OH-CB 3.43Å
227D97.7Very high96Very high18 Ų1828.8 Ų28.810%0.09613%0.127CC..THydrogen-bonded Turntrans-79.3-4171.669.20.7000113.1H202 K204 G225 S229 R231H202-D227 WeakPolarHBondContact CB-OD2 3.34Å; H202-D227 IonicContact CE1-OD1 3.78Å; H202-D227 IonicContact CG-OD1 3.79Å; H202-D227 IonicContact CG-OD2 2.64Å; H202-D227 VanDerWaalsContact ND1-CG 3.3Å; H202-D227 IonicContact ND1-OD1 2.69Å; H202-D227 PolarHBondContact ND1-OD1 2.92Å; H202-D227 IonicContact ND1-OD2 3.52Å; H202-D227 PolarHBondContact ND1-OD2 3.39Å; K204-D227 HydrophobicContact CB-CB 4.38Å; K204-D227 HydrophobicContact CD-CB 4.48Å; K204-D227 HydrophobicContact CG-CB 4.39Å; G225-D227 PolarHBondContact O-N 2.89Å; D227-S229 PolarHBondContact OD1-N 2.95Å; D227-S229 PolarHBondContact OD1-OG 2.89Å; D227-S229 PolarHBondContact OD2-OG 2.81Å; D227-S229 VanDerWaalsContact OD2-OG 3.11Å; D227-R231 IonicContact OD2-CZ 2.74Å; D227-R231 IonicContact OD2-NE 3.4Å; D227-R231 PolarHBondContact OD2-NE 2.55Å; D227-R231 IonicContact OD2-NH2 2.8Å; D227-R231 PolarHBondContact OD2-NH2 3.14Å
228G97.9Very high96.2Very high0 Ų029.2 Ų29.20%013%0.13CC..SBendtrans7818.717700000114G225 E246 D247 T251G225-G228 PolarHBondContact O-N 2.84Å; G225-G228 VanDerWaalsContact O-N 3.09Å; G228-E246 WeakPolarHBondContact O-CA 3.32Å; G228-D247 PolarHBondContact O-N 2.89Å; G228-T251 WeakPolarHBondContact CA-O 3.37Å
229S98.1Very high96Very high1 Ų132.2 Ų32.21%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-114.9149.6-176.871.30000113.7H202 V224 D227 R231 Y245H202-S229 PolarHBondContact CE1-O 3.4Å; H202-S229 PolarHBondContact CE1-OG 2.76Å; H202-S229 PolarHBondContact ND1-OG 2.6Å; V224-S229 WeakPolarHBondContact CA-O 3.37Å; D227-S229 PolarHBondContact OD1-N 2.95Å; D227-S229 PolarHBondContact OD1-OG 2.89Å; D227-S229 PolarHBondContact OD2-OG 2.81Å; D227-S229 VanDerWaalsContact OD2-OG 3.11Å; S229-R231 PolarHBondContact OG-NE 3.15Å; S229-R231 VanDerWaalsContact OG-NE 3.1Å; S229-Y245 CarbonylContact C-O 3.54Å; S229-Y245 VanDerWaalsContact CA-O 3.31Å; S229-Y245 WeakPolarHBondContact CA-O 3.27Å
230V98.3Very high95.8Very high0 Ų038 Ų380%018%0.175CC..EExtended strand (participates in β ladder)trans-100.4116.4162.1-176.10000107.3S223 V224 I244 Y245 L253 I256 T268 L279S223-V230 WeakPolarHBondContact O-CA 3.26Å; V224-V230 HydrophobicContact CG1-CB 4.29Å; V224-V230 HydrophobicContact CG1-CG1 4.38Å; V224-V230 HydrophobicContact CG1-CG2 3.73Å; V230-I244 HydrophobicContact CG1-CB 4.35Å; V230-I244 PolarHBondContact O-N 2.68Å; V230-Y245 HydrophobicContact CG2-CD1 4.17Å; V230-Y245 PolarHBondContact N-O 2.8Å; V230-Y245 PolarHBondContact O-N 2.88Å; V230-L253 HydrophobicContact CG2-CD1 3.57Å; V230-I256 HydrophobicContact CG1-CD1 3.96Å; V230-T268 HydrophobicContact CG2-CG2 4.05Å; V230-L279 HydrophobicContact CB-CD1 4.29Å; V230-L279 HydrophobicContact CG1-CD1 4.44Å; V230-L279 HydrophobicContact CG2-CD1 3.77Å
231R97.7Very high95.7Very high29 Ų2940 Ų4011%0.10919%0.189CC..EExtended strand (participates in β ladder)trans-114.4134.5-180-64.4-179.6-174.8-156.90.3110.2A201 D203 A222 S223 D227 S229 F233 T242 I243A201-R231 WeakPolarHBondContact O-CD 3.3Å; A201-R231 PolarHBondContact O-NH1 3.38Å; D203-R231 IonicContact OD2-CZ 2.79Å; D203-R231 IonicContact OD2-NH1 3.99Å; D203-R231 IonicContact OD2-NH2 3.78Å; D203-R231 PolarHBondContact OD2-NH2 2.98Å; A222-R231 CarbonylContact C-O 3.59Å; A222-R231 WeakPolarHBondContact CA-O 3.47Å; A222-R231 WeakPolarHBondContact CB-O 3.39Å; S223-R231 PolarHBondContact N-O 3.06Å; S223-R231 PolarHBondContact O-N 3.42Å; D227-R231 IonicContact OD2-CZ 2.74Å; D227-R231 IonicContact OD2-NE 3.4Å; D227-R231 PolarHBondContact OD2-NE 2.55Å; D227-R231 IonicContact OD2-NH2 2.8Å; D227-R231 PolarHBondContact OD2-NH2 3.14Å; S229-R231 PolarHBondContact OG-NE 3.15Å; S229-R231 VanDerWaalsContact OG-NE 3.1Å; R231-F233 HydrophobicContact CB-CD2 4.49Å; R231-F233 HydrophobicContact CB-CE2 3.52Å; R231-F233 HydrophobicContact CB-CZ 3.77Å; R231-F233 WeakPolarHBondContact O-CE2 3.44Å; R231-T242 WeakPolarHBondContact CA-O 3.32Å; R231-I243 HydrophobicContact CG-CG1 4.26Å
232M97.1Very high95.6Very high36 Ų3643.7 Ų43.718%0.17721%0.212CC..EExtended strand (participates in β ladder)trans-111.1140.9176.8-179.3178.666.200110.8V220 F221 A222 S241 T242 I244 W258V220-M232 HydrophobicContact CG1-CG 3.59Å; V220-M232 HydrophobicContact CG1-SD 3.66Å; F221-M232 WeakPolarHBondContact O-CA 3.44Å; A222-M232 HydrophobicContact CB-CB 4.45Å; M232-S241 CarbonylContact O-C 3.53Å; M232-S241 WeakPolarHBondContact O-CA 3.13Å; M232-T242 PolarHBondContact N-O 2.89Å; M232-T242 PolarHBondContact O-N 2.88Å; M232-I244 HydrophobicContact CB-CD1 3.45Å; M232-I244 VanDerWaalsContact CB-CD1 3.45Å; M232-I244 HydrophobicContact CB-CG1 3.92Å; M232-I244 HydrophobicContact CE-CD1 4.06Å; M232-I244 HydrophobicContact CG-CD1 4.13Å; M232-I244 HydrophobicContact SD-CD1 3.76Å; M232-W258 HydrophobicContact CG-CH2 4.44Å; M232-W258 HydrophobicContact SD-CH2 4.1Å
233F97.1Very high95.5Very high7 Ų747 Ų473%0.03123%0.229CC..EExtended strand (participates in β ladder)trans-132.6147.2-173.5-58.3-98.5000109.8L199 A201 V220 F221 S223 R231L199-F233 HydrophobicContact CD1-CD1 3.64Å; L199-F233 HydrophobicContact CD1-CE1 3.4Å; L199-F233 HydrophobicContact CD1-CG 4.47Å; L199-F233 HydrophobicContact CD1-CZ 4.09Å; A201-F233 HydrophobicContact CB-CE1 4.41Å; A201-F233 HydrophobicContact CB-CE2 4.31Å; A201-F233 HydrophobicContact CB-CZ 3.77Å; V220-F233 VanDerWaalsContact CA-O 3.3Å; V220-F233 WeakPolarHBondContact CA-O 2.97Å; F221-F233 HydrophobicContact CD1-CB 4.01Å; F221-F233 HydrophobicContact CD2-CB 4.11Å; F221-F233 AromaticContact CD2-CD2 3.87Å; F221-F233 HydrophobicContact CD2-CD2 3.87Å; F221-F233 HydrophobicContact CD2-CG 4.31Å; F221-F233 HydrophobicContact CE1-CB 3.43Å; F221-F233 VanDerWaalsContact CE1-CB 3.43Å; F221-F233 HydrophobicContact CE1-CG 4.24Å; F221-F233 HydrophobicContact CE2-CB 3.58Å; F221-F233 HydrophobicContact CE2-CD1 4.43Å; F221-F233 AromaticContact CE2-CD2 3.31Å; F221-F233 HydrophobicContact CE2-CD2 3.31Å; F221-F233 HydrophobicContact CE2-CE2 4.1Å; F221-F233 AromaticContact CE2-CG 3.53Å; F221-F233 HydrophobicContact CE2-CG 3.53Å; F221-F233 HydrophobicContact CG-CB 4.33Å; F221-F233 HydrophobicContact CZ-CB 3.21Å; F221-F233 HydrophobicContact CZ-CD1 4.19Å; F221-F233 AromaticContact CZ-CD2 3.82Å; F221-F233 HydrophobicContact CZ-CD2 3.82Å; F221-F233 AromaticContact CZ-CG 3.49Å; F221-F233 HydrophobicContact CZ-CG 3.49Å; F221-F233 VanDerWaalsContact CZ-CG 3.49Å; F221-F233 PolarHBondContact N-O 3.02Å; F221-F233 PolarHBondContact O-N 3.03Å; S223-F233 WeakPolarHBondContact OG-CE2 3.34Å; R231-F233 HydrophobicContact CB-CD2 4.49Å; R231-F233 HydrophobicContact CB-CE2 3.52Å; R231-F233 HydrophobicContact CB-CZ 3.77Å; R231-F233 WeakPolarHBondContact O-CE2 3.44Å
234D95.2Very high95.4Very high31 Ų3147 Ų4717%0.16623%0.229CC..EExtended strand (participates in β ladder)trans-114.7120.8169.8-171.8-37.2000108.5V220 R236 H237 L238V220-D234 HydrophobicContact CG2-CB 4.48Å; D234-R236 PolarHBondContact O-N 3.46Å; D234-R236 VanDerWaalsContact OD1-CB 3.23Å; D234-R236 WeakPolarHBondContact OD1-CB 3.48Å; D234-R236 WeakPolarHBondContact OD1-CG 3.46Å; D234-R236 IonicContact OD1-CZ 2.98Å; D234-R236 PolarHBondContact OD1-N 2.87Å; D234-R236 IonicContact OD1-NE 3.51Å; D234-R236 PolarHBondContact OD1-NE 3.02Å; D234-R236 IonicContact OD1-NH2 3.59Å; D234-R236 IonicContact OD2-CZ 3.76Å; D234-R236 IonicContact OD2-NE 3.65Å; D234-R236 PolarHBondContact OD2-NE 2.94Å; D234-R236 IonicContact OD2-NH2 3.4Å; D234-R236 PolarHBondContact OD2-NH2 2.91Å; D234-H237 CarbonylContact O-C 3.51Å; D234-H237 VanDerWaalsContact O-C 3.23Å; D234-H237 PolarHBondContact O-N 2.87Å; D234-L238 WeakPolarHBondContact O-CD2 3.18Å; D234-L238 PolarHBondContact O-N 2.99Å
235L93.6Very high95.3Very high21 Ų2147.2 Ų47.211%0.1123%0.23CC..THydrogen-bonded Turntrans-58.2-18.3-179.4-65.7173.8000113.4I172 T197 F211 D219 F221 L238I172-L235 HydrophobicContact CB-CD2 4.38Å; I172-L235 HydrophobicContact CD1-CD2 3.97Å; I172-L235 HydrophobicContact CG1-CD2 3.61Å; I172-L235 HydrophobicContact CG2-CD1 4.44Å; I172-L235 HydrophobicContact CG2-CD2 4.21Å; T197-L235 HydrophobicContact CG2-CD2 4.28Å; F211-L235 HydrophobicContact CE1-CD1 4.37Å; D219-L235 HydrophobicContact CB-CB 4.04Å; D219-L235 WeakPolarHBondContact O-CB 3.28Å; D219-L235 VanDerWaalsContact O-CG 3.25Å; D219-L235 WeakPolarHBondContact O-CG 3.42Å; D219-L235 PolarHBondContact O-N 2.77Å; F221-L235 HydrophobicContact CD1-CD2 4Å; F221-L235 HydrophobicContact CD1-CG 4.14Å; F221-L235 HydrophobicContact CE1-CD2 3.54Å; F221-L235 HydrophobicContact CE1-CG 4.08Å; L235-L238 HydrophobicContact CD2-CD2 4.36Å
236R92.7Very high95.3Very high144 Ų14451.8 Ų51.854%0.54325%0.251SS..THydrogen-bonded Turntrans-84.2-20.9176.3-56169.8-66.1-177.32.4112.3D219 D234D219-R236 HydrophobicContact CB-CG 4.05Å; D219-R236 WeakPolarHBondContact OD2-CD 3.4Å; D219-R236 IonicContact OD2-NE 3.54Å; D234-R236 PolarHBondContact O-N 3.46Å; D234-R236 VanDerWaalsContact OD1-CB 3.23Å; D234-R236 WeakPolarHBondContact OD1-CB 3.48Å; D234-R236 WeakPolarHBondContact OD1-CG 3.46Å; D234-R236 IonicContact OD1-CZ 2.98Å; D234-R236 PolarHBondContact OD1-N 2.87Å; D234-R236 IonicContact OD1-NE 3.51Å; D234-R236 PolarHBondContact OD1-NE 3.02Å; D234-R236 IonicContact OD1-NH2 3.59Å; D234-R236 IonicContact OD2-CZ 3.76Å; D234-R236 IonicContact OD2-NE 3.65Å; D234-R236 PolarHBondContact OD2-NE 2.94Å; D234-R236 IonicContact OD2-NH2 3.4Å; D234-R236 PolarHBondContact OD2-NH2 2.91Å
237H92.7Very high95.2Very high120 Ų12052.4 Ų52.456%0.55625%0.254SS*.  trans-13954.2-172.6-61.4-64.1000111.8D234 E239 H240D234-H237 CarbonylContact O-C 3.51Å; D234-H237 VanDerWaalsContact O-C 3.23Å; D234-H237 PolarHBondContact O-N 2.87Å; H237-E239 PolarHBondContact O-N 2.83Å; H237-H240 PolarHBondContact O-N 2.82Å
238L91.6Very high95.1Very high54 Ų5457 Ų5728%0.28329%0.285SS..THydrogen-bonded Turntrans-67.7-6.1-176.2-67.7175.2000115.2T197 L199 F221 D234 L235 H240T197-L238 HydrophobicContact CG2-CD1 3.71Å; L199-L238 HydrophobicContact CD2-CD2 3.97Å; F221-L238 HydrophobicContact CE1-CD2 4.34Å; D234-L238 WeakPolarHBondContact O-CD2 3.18Å; D234-L238 PolarHBondContact O-N 2.99Å; L235-L238 HydrophobicContact CD2-CD2 4.36Å; L238-H240 PolarHBondContact O-N 2.88Å
239E88.6Confident94.9Very high178 Ų17859.9 Ų59.983%0.83231%0.314SS*.THydrogen-bonded Turntrans-67.2-18.8173.1-61173.5-171.900111.8H237H237-E239 PolarHBondContact O-N 2.83Å
240H88.6Confident94.8Very high145 Ų14565.4 Ų65.467%0.67134%0.34SS*.  trans-132.3133.2-179-59.7-42.4000111.5H237 L238H237-H240 PolarHBondContact O-N 2.82Å; L238-H240 PolarHBondContact O-N 2.88Å
241S93.8Very high94.7Very high51 Ų5167.5 Ų67.536%0.35735%0.353SS..EExtended strand (participates in β ladder)trans-109.7149.3163.462.70000109.6M232M232-S241 CarbonylContact O-C 3.53Å; M232-S241 WeakPolarHBondContact O-CA 3.13Å
242T94.8Very high94.7Very high77 Ų7768 Ų6847%0.47236%0.36SS..EExtended strand (participates in β ladder)trans-105.3123.8172.2-57.60000109.1R231 M232 I244R231-T242 WeakPolarHBondContact CA-O 3.32Å; M232-T242 PolarHBondContact N-O 2.89Å; M232-T242 PolarHBondContact O-N 2.88Å; T242-I244 PolarHBondContact O-N 2.79Å
243I95.9Very high94.8Very high69 Ų6966.3 Ų66.335%0.35435%0.352SS..EExtended strand (participates in β ladder)trans-76.5116.2169.6-60172.5000107.4R231 E246R231-I243 HydrophobicContact CG-CG1 4.26Å; I243-E246 HydrophobicContact CG2-CB 4.46Å
244I96.3Very high94.7Very high2 Ų267.9 Ų67.91%0.0136%0.36CS..EExtended strand (participates in β ladder)trans-90.5-31.6179-62.2-174.3000110.7V230 M232 T242 I266 L279 I281 C285V230-I244 HydrophobicContact CG1-CB 4.35Å; V230-I244 PolarHBondContact O-N 2.68Å; M232-I244 HydrophobicContact CB-CD1 3.45Å; M232-I244 VanDerWaalsContact CB-CD1 3.45Å; M232-I244 HydrophobicContact CB-CG1 3.92Å; M232-I244 HydrophobicContact CE-CD1 4.06Å; M232-I244 HydrophobicContact CG-CD1 4.13Å; M232-I244 HydrophobicContact SD-CD1 3.76Å; T242-I244 PolarHBondContact O-N 2.79Å; I244-I266 HydrophobicContact CD1-CD1 4.5Å; I244-L279 HydrophobicContact CG2-CD1 4.32Å; I244-I281 HydrophobicContact CD1-CB 4.16Å; I244-I281 HydrophobicContact CD1-CG2 3.88Å; I244-C285 WeakPolarHBondContact O-CA 3.41Å; I244-C285 PolarHBondContact O-N 2.81Å
245Y98Very high94.8Very high3 Ų368.6 Ų68.61%0.01236%0.361CS..EExtended strand (participates in β ladder)trans-154.3146.3178.7175.3-103.8000109.3S229 V230 D247 L253 I277 L279 P287 R290S229-Y245 CarbonylContact C-O 3.54Å; S229-Y245 VanDerWaalsContact CA-O 3.31Å; S229-Y245 WeakPolarHBondContact CA-O 3.27Å; V230-Y245 HydrophobicContact CG2-CD1 4.17Å; V230-Y245 PolarHBondContact N-O 2.8Å; V230-Y245 PolarHBondContact O-N 2.88Å; Y245-D247 HydrophobicContact CE1-CB 4.14Å; Y245-D247 PolarHBondContact OH-OD1 2.87Å; Y245-L253 HydrophobicContact CD1-CD1 3.9Å; Y245-L253 HydrophobicContact CE1-CD1 4.21Å; Y245-L253 HydrophobicContact CE1-CD2 4.39Å; Y245-I277 HydrophobicContact CE1-CD1 3.92Å; Y245-L279 HydrophobicContact CD2-CD2 3.83Å; Y245-L279 HydrophobicContact CG-CD1 4.12Å; Y245-L279 HydrophobicContact CG-CD2 3.87Å; Y245-P287 HydrophobicContact CD2-CG 3.92Å; Y245-P287 HydrophobicContact CE2-CG 3.51Å; Y245-R290 PolarHBondContact OH-NH2 2.88Å
246E97.5Very high95Very high97 Ų9768 Ų6845%0.45336%0.357SS..EExtended strand (participates in β ladder)trans-134.4128.7169.3-172.1171.8108.200106.9G228 I243G228-E246 WeakPolarHBondContact O-CA 3.32Å; I243-E246 HydrophobicContact CG2-CB 4.46Å
247D96.6Very high95.2Very high18 Ų1861.8 Ų61.810%0.09634%0.337CS..  trans-65.2128.6176.5-175.666.4000110.1G228 Y245 G249 Q250 T251G228-D247 PolarHBondContact O-N 2.89Å; Y245-D247 HydrophobicContact CE1-CB 4.14Å; Y245-D247 PolarHBondContact OH-OD1 2.87Å; D247-G249 PolarHBondContact O-N 2.8Å; D247-G249 VanDerWaalsContact O-N 3.11Å; D247-G249 WeakPolarHBondContact OD2-CA 3.42Å; D247-G249 PolarHBondContact OD2-N 2.81Å; D247-Q250 WeakPolarHBondContact O-CA 3.36Å; D247-Q250 PolarHBondContact O-N 2.83Å; D247-Q250 PolarHBondContact OD2-N 3.03Å; D247-T251 WeakPolarHBondContact OD2-CB 3.23Å; D247-T251 PolarHBondContact OD2-N 3.23Å; D247-T251 PolarHBondContact OD2-OG1 2.91Å
248P94.8Very high95.4Very high114 Ų11456.3 Ų56.374%0.7431%0.311SS*.THydrogen-bonded Turntrans-59-26.5-178.9-26.435000114.3
249G94.5Very high95.7Very high60 Ų6053.8 Ų53.862%0.61930%0.298SS*.THydrogen-bonded Turntrans-89.60.6175.300000114.1D247 T251D247-G249 PolarHBondContact O-N 2.8Å; D247-G249 VanDerWaalsContact O-N 3.11Å; D247-G249 WeakPolarHBondContact OD2-CA 3.42Å; D247-G249 PolarHBondContact OD2-N 2.81Å; G249-T251 PolarHBondContact O-N 3.24Å
250Q95Very high95.8Very high118 Ų11847.7 Ų47.755%0.55127%0.269SS*.  trans52.331.9-166.8-58.1-176.20.300112.2D247D247-Q250 WeakPolarHBondContact O-CA 3.36Å; D247-Q250 PolarHBondContact O-N 2.83Å; D247-Q250 PolarHBondContact OD2-N 3.03Å
251T97.1Very high96.1Very high43 Ų4344.1 Ų44.126%0.26426%0.257SS..PPolyproline II helixtrans-67.4129.7177.6-46.70000108.5G228 D247 G249 L253 A270 S271G228-T251 WeakPolarHBondContact CA-O 3.37Å; D247-T251 WeakPolarHBondContact OD2-CB 3.23Å; D247-T251 PolarHBondContact OD2-N 3.23Å; D247-T251 PolarHBondContact OD2-OG1 2.91Å; G249-T251 PolarHBondContact O-N 3.24Å; T251-L253 PolarHBondContact O-N 2.94Å; T251-A270 HydrophobicContact CG2-CB 4.1Å; T251-S271 WeakPolarHBondContact CG2-O 3.32Å
252P98Very high96.2Very high41 Ų4143.6 Ų43.627%0.26625%0.25SS..PPolyproline II helixtrans-51135.6178.7-30.837.2000113.3Y207 A270 S271Y207-P252 HydrophobicContact CE2-CB 4.02Å; P252-A270 CarbonylContact O-C 3.4Å; P252-A270 WeakPolarHBondContact O-CA 3.45Å; P252-S271 PolarHBondContact O-N 3.06Å
253L98Very high96.1Very high0 Ų041.1 Ų41.10%024%0.235CC..EExtended strand (participates in β ladder)trans-98.9121.4176.2-63.1-174.1000110.3Y207 V224 G225 V230 Y245 T251 T268 I269 A270Y207-L253 WeakPolarHBondContact CD2-O 3.36Å; V224-L253 HydrophobicContact CB-CB 3.78Å; V224-L253 HydrophobicContact CG1-CB 4.03Å; V224-L253 HydrophobicContact CG1-CD1 4.23Å; G225-L253 PolarHBondContact O-N 3.38Å; G225-L253 VanDerWaalsContact O-N 3.07Å; V230-L253 HydrophobicContact CG2-CD1 3.57Å; Y245-L253 HydrophobicContact CD1-CD1 3.9Å; Y245-L253 HydrophobicContact CE1-CD1 4.21Å; Y245-L253 HydrophobicContact CE1-CD2 4.39Å; T251-L253 PolarHBondContact O-N 2.94Å; L253-T268 HydrophobicContact CD1-CG2 4.37Å; L253-I269 CarbonylContact C-O 3.58Å; L253-I269 WeakPolarHBondContact CA-O 3.25Å; L253-A270 HydrophobicContact CD2-CB 3.75Å
254L96Very high96.1Very high39 Ų3939.7 Ų39.720%0.20423%0.228CC..EExtended strand (participates in β ladder)trans-94-32.6-164.7-61.1-176.3000114.8Y207 I269Y207-L254 HydrophobicContact CD2-CD2 3.98Å; Y207-L254 HydrophobicContact CE2-CD2 4.12Å; L254-I269 PolarHBondContact N-O 3.25Å
255R96.6Very high96.1Very high47 Ų4741.7 Ų41.718%0.17724%0.236CC..EExtended strand (participates in β ladder)trans-141.7146.9-172.9-65.3-66.2180-97.4-4.2111.1D208 T268 I269 N299 I301D208-R255 WeakPolarHBondContact OD2-CA 3.41Å; R255-T268 VanDerWaalsContact O-CA 3.27Å; R255-T268 WeakPolarHBondContact O-CA 3.35Å; R255-T268 PolarHBondContact O-OG1 2.95Å; R255-I269 HydrophobicContact CB-CD1 4.27Å; R255-I269 HydrophobicContact CG-CD1 4.44Å; R255-I269 PolarHBondContact O-N 2.89Å; R255-N299 PolarHBondContact NH2-OD1 2.91Å; R255-I301 HydrophobicContact CB-CD1 3.76Å; R255-I301 HydrophobicContact CB-CG1 3.82Å
256I97.9Very high96.1Very high9 Ų941.6 Ų41.65%0.04624%0.235CC..EExtended strand (participates in β ladder)trans-130127.3171.8-168.8177000109.9D208 A210 A222 V224 V230 I266 A267D208-I256 HydrophobicContact CB-CG2 3.95Å; D208-I256 PolarHBondContact OD2-N 2.87Å; A210-I256 HydrophobicContact CB-CG2 3.93Å; A222-I256 HydrophobicContact CB-CD1 3.46Å; A222-I256 VanDerWaalsContact CB-CD1 3.46Å; V224-I256 HydrophobicContact CG1-CB 3.95Å; V224-I256 HydrophobicContact CG1-CD1 4.28Å; V224-I256 HydrophobicContact CG1-CG1 4.4Å; V224-I256 HydrophobicContact CG2-CB 4.03Å; V224-I256 HydrophobicContact CG2-CG2 4.22Å; V230-I256 HydrophobicContact CG1-CD1 3.96Å; I256-I266 HydrophobicContact CD1-CG2 3.89Å; I256-I266 HydrophobicContact CG1-CG2 3.52Å; I256-A267 WeakPolarHBondContact CA-O 3.34Å
257A97.4Very high96.1Very high13 Ų1337 Ų3711%0.10721%0.214CC..EExtended strand (participates in β ladder)trans-122.6117.1174.200000109.5I266 A267 I301 W303A257-I266 WeakPolarHBondContact O-CA 3.44Å; A257-A267 HydrophobicContact CB-CB 4.45Å; A257-A267 PolarHBondContact N-O 3.04Å; A257-A267 PolarHBondContact O-N 3.11Å; A257-I301 HydrophobicContact CB-CB 4.19Å; A257-I301 HydrophobicContact CB-CD1 3.69Å; A257-I301 HydrophobicContact CB-CG1 3.93Å; A257-W303 PolarHBondContact O-NE1 3.5Å
258W96.8Very high96.1Very high5 Ų536.1 Ų36.12%0.01921%0.209CC..EExtended strand (participates in β ladder)trans-87.5128.7175.3-151-46000110.1A210 V220 A222 M232 K260 P263 I266 I281 W303A210-W258 HydrophobicContact CB-CB 4.32Å; V220-W258 HydrophobicContact CG1-CH2 3.8Å; V220-W258 HydrophobicContact CG1-CZ3 4.46Å; A222-W258 HydrophobicContact CB-CE3 4.17Å; A222-W258 HydrophobicContact CB-CH2 4.38Å; A222-W258 HydrophobicContact CB-CZ3 3.58Å; M232-W258 HydrophobicContact CG-CH2 4.44Å; M232-W258 HydrophobicContact SD-CH2 4.1Å; W258-K260 PolarHBondContact O-N 3.3Å; W258-P263 PolarHBondContact NE1-O 2.98Å; W258-I266 HydrophobicContact CD2-CD1 3.85Å; W258-I266 HydrophobicContact CD2-CG1 3.87Å; W258-I266 HydrophobicContact CE3-CD1 3.93Å; W258-I266 HydrophobicContact CE3-CG1 4.4Å; W258-I266 HydrophobicContact CG-CD1 4.47Å; W258-I266 HydrophobicContact CG-CG1 3.99Å; W258-I266 HydrophobicContact CH2-CD1 3.98Å; W258-I266 HydrophobicContact CZ2-CD1 3.92Å; W258-I266 HydrophobicContact CZ2-CG1 4.42Å; W258-I266 HydrophobicContact CZ3-CD1 4Å; W258-I281 HydrophobicContact CZ2-CD1 4.26Å; W258-I281 HydrophobicContact CZ2-CG2 4.38Å; W258-W303 VanDerWaalsContact C-CD1 3.43Å
259N96.6Very high96.2Very high0 Ų030.7 Ų30.70%017%0.174CC..  trans-66.1119173.8-174.6-30.1000110.2V261 D262 P263 Y265 W303 S308N259-V261 PolarHBondContact OD1-N 3.33Å; N259-D262 VanDerWaalsContact CB-O 3.26Å; N259-D262 WeakPolarHBondContact CB-O 3.36Å; N259-D262 CarbonylContact O-C 3.56Å; N259-D262 PolarHBondContact OD1-N 2.67Å; N259-P263 WeakPolarHBondContact O-CA 3.28Å; N259-Y265 VanDerWaalsContact CB-O 3.24Å; N259-Y265 WeakPolarHBondContact CB-O 3.06Å; N259-Y265 PolarHBondContact N-O 3.08Å; N259-W303 HydrophobicContact CB-CD2 3.66Å; N259-W303 HydrophobicContact CB-CE3 4.03Å; N259-W303 HydrophobicContact CB-CG 3.97Å; N259-W303 HydrophobicContact CB-CH2 4.47Å; N259-W303 HydrophobicContact CB-CZ2 4.12Å; N259-W303 HydrophobicContact CB-CZ3 4.43Å; N259-W303 VanDerWaalsContact ND2-CE3 3.27Å; N259-W303 VanDerWaalsContact ND2-CZ3 3.34Å; N259-W303 WeakPolarHBondContact ND2-CZ3 3.43Å; N259-S308 PolarHBondContact ND2-O 2.97Å
260K92.4Very high96.3Very high51 Ų5128 Ų2822%0.22215%0.146CC..SBendtrans-84.9-13.6-173.1-59.6-63179161.60112.7D152 E155 F211 K213 W258D152-K260 IonicContact OD2-NZ 3.24Å; E155-K260 WeakPolarHBondContact OE1-CD 3.44Å; E155-K260 WeakPolarHBondContact OE1-CE 3.46Å; E155-K260 IonicContact OE1-NZ 3.97Å; E155-K260 PolarHBondContact OE1-NZ 3.06Å; E155-K260 VanDerWaalsContact OE1-NZ 3.17Å; F211-K260 PolarHBondContact O-NZ 2.77Å; K213-K260 HydrophobicContact CB-CB 4.44Å; K213-K260 HydrophobicContact CB-CD 3.68Å; K213-K260 HydrophobicContact CD-CB 3.7Å; K213-K260 HydrophobicContact CD-CD 4.02Å; K213-K260 HydrophobicContact CD-CG 4.29Å; K213-K260 HydrophobicContact CG-CD 4.45Å; W258-K260 PolarHBondContact O-N 3.3Å
261V94.5Very high96.2Very high69 Ų6923.5 Ų23.542%0.41813%0.128SC..SBendtrans-96.4-48.1178.1-1760000110.7N259 P305N259-V261 PolarHBondContact OD1-N 3.33Å; V261-P305 WeakPolarHBondContact CG2-O 3.34Å
262D95.2Very high95.8Very high41 Ų4126.9 Ų26.922%0.21914%0.144CC..SBendtrans-116.194.7170.3-172.7-11.9000110.1N259 N264 Y265N259-D262 VanDerWaalsContact CB-O 3.26Å; N259-D262 WeakPolarHBondContact CB-O 3.36Å; N259-D262 CarbonylContact O-C 3.56Å; N259-D262 PolarHBondContact OD1-N 2.67Å; D262-N264 PolarHBondContact O-N 2.79Å; D262-N264 WeakPolarHBondContact OD1-CB 3.4Å; D262-N264 PolarHBondContact OD1-N 2.88Å; D262-N264 VanDerWaalsContact OD1-N 3.14Å; D262-N264 PolarHBondContact OD1-ND2 3.4Å; D262-Y265 HydrophobicContact CB-CD2 4.07Å; D262-Y265 HydrophobicContact CB-CE2 4.49Å; D262-Y265 PolarHBondContact O-N 3.27Å; D262-Y265 VanDerWaalsContact O-N 3.14Å; D262-Y265 WeakPolarHBondContact OD2-CE2 3.19Å
263P94.1Very high95.4Very high24 Ų2426.8 Ų26.816%0.15614%0.143CC..THydrogen-bonded Turntrans-70.23.8-173.831-36.4000113.8W258 N259 Y265 I281W258-P263 PolarHBondContact NE1-O 2.98Å; N259-P263 WeakPolarHBondContact O-CA 3.28Å; P263-Y265 VanDerWaalsContact C-N 3.27Å; P263-I281 WeakPolarHBondContact O-CD1 3.08Å
264N94.6Very high95.2Very high40 Ų4029 Ų2921%0.21416%0.156CC..THydrogen-bonded Turntrans-74.4-21.3169.4-60.6-65.3000112.3D262 D280 I281 R282D262-N264 PolarHBondContact O-N 2.79Å; D262-N264 WeakPolarHBondContact OD1-CB 3.4Å; D262-N264 PolarHBondContact OD1-N 2.88Å; D262-N264 VanDerWaalsContact OD1-N 3.14Å; D262-N264 PolarHBondContact OD1-ND2 3.4Å; N264-D280 CarbonylContact O-C 3.43Å; N264-D280 WeakPolarHBondContact O-CA 3.47Å; N264-I281 PolarHBondContact O-N 2.7Å; N264-R282 WeakPolarHBondContact OD1-CD 3.45Å
265Y96.6Very high95Very high44 Ų4429 Ų2917%0.17316%0.155CC..EExtended strand (participates in β ladder)trans-101.5135.5-175.7-62.6-67.5000113.3N259 D262 P263 I278 L279 D280 V288 M345N259-Y265 VanDerWaalsContact CB-O 3.24Å; N259-Y265 WeakPolarHBondContact CB-O 3.06Å; N259-Y265 PolarHBondContact N-O 3.08Å; D262-Y265 HydrophobicContact CB-CD2 4.07Å; D262-Y265 HydrophobicContact CB-CE2 4.49Å; D262-Y265 PolarHBondContact O-N 3.27Å; D262-Y265 VanDerWaalsContact O-N 3.14Å; D262-Y265 WeakPolarHBondContact OD2-CE2 3.19Å; P263-Y265 VanDerWaalsContact C-N 3.27Å; Y265-I278 HydrophobicContact CD1-CG2 4.3Å; Y265-L279 WeakPolarHBondContact CA-O 3.42Å; Y265-D280 HydrophobicContact CD1-CB 4.24Å; Y265-D280 HydrophobicContact CE1-CB 4.04Å; Y265-V288 HydrophobicContact CD1-CG2 4.26Å; Y265-V288 HydrophobicContact CE1-CG2 4.12Å; Y265-M345 HydrophobicContact CD1-CE 4.26Å; Y265-M345 HydrophobicContact CE1-CE 3.88Å
266I97.4Very high95Very high0 Ų026.8 Ų26.80%015%0.147CC..EExtended strand (participates in β ladder)trans-126.5142.3171.6-65.6177.9000107.9A222 I244 I256 A257 W258 L279 I281A222-I266 HydrophobicContact CB-CD1 4.32Å; I244-I266 HydrophobicContact CD1-CD1 4.5Å; I256-I266 HydrophobicContact CD1-CG2 3.89Å; I256-I266 HydrophobicContact CG1-CG2 3.52Å; A257-I266 WeakPolarHBondContact O-CA 3.44Å; W258-I266 HydrophobicContact CD2-CD1 3.85Å; W258-I266 HydrophobicContact CD2-CG1 3.87Å; W258-I266 HydrophobicContact CE3-CD1 3.93Å; W258-I266 HydrophobicContact CE3-CG1 4.4Å; W258-I266 HydrophobicContact CG-CD1 4.47Å; W258-I266 HydrophobicContact CG-CG1 3.99Å; W258-I266 HydrophobicContact CH2-CD1 3.98Å; W258-I266 HydrophobicContact CZ2-CD1 3.92Å; W258-I266 HydrophobicContact CZ2-CG1 4.42Å; W258-I266 HydrophobicContact CZ3-CD1 4Å; I266-L279 HydrophobicContact CB-CB 4.49Å; I266-L279 PolarHBondContact N-O 3.1Å; I266-L279 PolarHBondContact O-N 2.98Å; I266-I281 HydrophobicContact CD1-CG2 3.6Å; I266-I281 HydrophobicContact CG1-CG2 3.98Å
267A97.9Very high94.9Very high0 Ų026.5 Ų26.50%015%0.146CC..EExtended strand (participates in β ladder)trans-109.9144.2168.500000110I256 A257 V276 I277 I278 I301 W303 I311I256-A267 WeakPolarHBondContact CA-O 3.34Å; A257-A267 HydrophobicContact CB-CB 4.45Å; A257-A267 PolarHBondContact N-O 3.04Å; A257-A267 PolarHBondContact O-N 3.11Å; A267-V276 HydrophobicContact CB-CG1 4.16Å; A267-I277 CarbonylContact C-O 3.47Å; A267-I277 VanDerWaalsContact CA-O 3.28Å; A267-I277 WeakPolarHBondContact CA-O 2.94Å; A267-I278 HydrophobicContact CB-CD1 3.73Å; A267-I301 HydrophobicContact CB-CD1 4.24Å; A267-I301 WeakPolarHBondContact O-CD1 3.46Å; A267-W303 HydrophobicContact CB-CZ2 3.85Å; A267-I311 HydrophobicContact CB-CD1 3.56Å
268T98Very high94.9Very high0 Ų025.9 Ų25.90%014%0.141CC..EExtended strand (participates in β ladder)trans-140.6157.6174-171.60000110.8V230 L253 R255 I277 L279V230-T268 HydrophobicContact CG2-CG2 4.05Å; L253-T268 HydrophobicContact CD1-CG2 4.37Å; R255-T268 VanDerWaalsContact O-CA 3.27Å; R255-T268 WeakPolarHBondContact O-CA 3.35Å; R255-T268 PolarHBondContact O-OG1 2.95Å; T268-I277 HydrophobicContact CG2-CB 3.84Å; T268-I277 HydrophobicContact CG2-CD1 4.38Å; T268-I277 HydrophobicContact CG2-CG2 4.21Å; T268-I277 PolarHBondContact N-O 3.18Å; T268-I277 PolarHBondContact O-N 3.39Å; T268-L279 HydrophobicContact CG2-CD1 4.19Å
269I95.9Very high94.9Very high0 Ų025.8 Ų25.80%014%0.14CC..EExtended strand (participates in β ladder)trans-123.8137.2175.3-58.7160.3000109.3L253 L254 R255 V276 V298 I301L253-I269 CarbonylContact C-O 3.58Å; L253-I269 WeakPolarHBondContact CA-O 3.25Å; L254-I269 PolarHBondContact N-O 3.25Å; R255-I269 HydrophobicContact CB-CD1 4.27Å; R255-I269 HydrophobicContact CG-CD1 4.44Å; R255-I269 PolarHBondContact O-N 2.89Å; I269-V276 HydrophobicContact CG1-CG2 4.16Å; I269-V298 HydrophobicContact CD1-CB 4.03Å; I269-V298 HydrophobicContact CD1-CG1 3.57Å; I269-V298 HydrophobicContact CG1-CB 4.34Å; I269-V298 HydrophobicContact CG1-CG1 4.18Å; I269-V298 HydrophobicContact CG2-CB 4.08Å; I269-V298 WeakPolarHBondContact CG2-O 3.46Å; I269-I301 HydrophobicContact CD1-CB 4.19Å; I269-I301 HydrophobicContact CD1-CD1 4.21Å; I269-I301 HydrophobicContact CD1-CG1 3.82Å; I269-I301 HydrophobicContact CD1-CG2 3.59Å; I269-I301 HydrophobicContact CG1-CD1 4.21Å; I269-I301 HydrophobicContact CG1-CG1 4.35Å; I269-I301 HydrophobicContact CG1-CG2 3.85Å
270A95.6Very high94.9Very high3 Ų326.1 Ų26.13%0.02514%0.142CC..EExtended strand (participates in β ladder)trans-92.3148.8170.400000111.3T251 P252 L253 T273T251-A270 HydrophobicContact CG2-CB 4.1Å; P252-A270 CarbonylContact O-C 3.4Å; P252-A270 WeakPolarHBondContact O-CA 3.45Å; L253-A270 HydrophobicContact CD2-CB 3.75Å; A270-T273 HydrophobicContact CB-CG2 3.78Å; A270-T273 PolarHBondContact O-N 3.36Å; A270-T273 PolarHBondContact O-OG1 3.49Å
271S93.2Very high95Very high25 Ų2524.7 Ų24.718%0.17514%0.137CC..THydrogen-bonded Turntrans-56.1139.2177.9-168.70000111.7T251 P252 T273T251-S271 WeakPolarHBondContact CG2-O 3.32Å; P252-S271 PolarHBondContact O-N 3.06Å; S271-T273 WeakPolarHBondContact O-CG2 3.45Å; S271-T273 PolarHBondContact O-N 2.87Å
272D88.6Confident94.9Very high114 Ų11428 Ų2861%0.6114%0.142SC*.THydrogen-bonded Turntrans59.227.8175.6-52-60.8000114.4C297D272-C297 VanDerWaalsContact C-SG 3.56Å; D272-C297 VanDerWaalsContact CA-SG 3.53Å
273T91.4Very high94.9Very high38 Ų3830.7 Ų30.723%0.23316%0.155CC..  trans-117149.917972.30000113A270 S271 E275 C297 V298A270-T273 HydrophobicContact CB-CG2 3.78Å; A270-T273 PolarHBondContact O-N 3.36Å; A270-T273 PolarHBondContact O-OG1 3.49Å; S271-T273 WeakPolarHBondContact O-CG2 3.45Å; S271-T273 PolarHBondContact O-N 2.87Å; T273-E275 VanDerWaalsContact C-N 3.27Å; T273-C297 CarbonylContact O-C 3.5Å; T273-C297 VanDerWaalsContact O-CA 3.25Å; T273-C297 WeakPolarHBondContact O-CA 3.5Å; T273-V298 PolarHBondContact O-N 2.84Å
274T92.1Very high94.7Very high47 Ų4732.7 Ų32.729%0.28817%0.169SC..SBendtrans-87.72.9173.260.50000112.4N292 A296 V298T274-N292 PolarHBondContact OG1-OD1 2.8Å; T274-A296 WeakPolarHBondContact CG2-O 3.28Å; T274-V298 WeakPolarHBondContact O-CG2 3.45Å
275E92.7Very high94.6Very high39 Ų3935 Ų3518%0.18219%0.187CC..EExtended strand (participates in β ladder)trans-109.9137.7-165.8-165.4-170101.100111.7T273 R290 L291 N292T273-E275 VanDerWaalsContact C-N 3.27Å; E275-R290 VanDerWaalsContact CD-CB 3.47Å; E275-R290 HydrophobicContact CG-CB 3.94Å; E275-R290 HydrophobicContact CG-CG 4.47Å; E275-R290 WeakPolarHBondContact OE1-CB 3.27Å; E275-R290 WeakPolarHBondContact OE1-CD 3.23Å; E275-R290 WeakPolarHBondContact OE1-CG 3.28Å; E275-R290 IonicContact OE1-CZ 3.92Å; E275-R290 IonicContact OE1-NE 2.69Å; E275-R290 IonicContact OE1-NH1 3.22Å; E275-R290 PolarHBondContact OE1-NH1 3Å; E275-L291 VanDerWaalsContact CA-O 3.32Å; E275-L291 WeakPolarHBondContact CA-O 3.24Å; E275-N292 HydrophobicContact CG-CB 4.3Å
276V95.9Very high94.4Very high0 Ų037.2 Ų37.20%021%0.205CC..EExtended strand (participates in β ladder)trans-104.8126.2167.9-176.80000109.8A267 I269 I278 R290 L291 V298 I301 T313A267-V276 HydrophobicContact CB-CG1 4.16Å; I269-V276 HydrophobicContact CG1-CG2 4.16Å; V276-I278 HydrophobicContact CG1-CD1 4.17Å; V276-R290 CarbonylContact O-C 3.58Å; V276-R290 WeakPolarHBondContact O-CA 3.48Å; V276-L291 HydrophobicContact CB-CB 4.2Å; V276-L291 HydrophobicContact CB-CD1 4.37Å; V276-L291 PolarHBondContact N-O 3.26Å; V276-L291 PolarHBondContact O-N 3.41Å; V276-V298 HydrophobicContact CG2-CB 4.33Å; V276-V298 HydrophobicContact CG2-CG1 3.85Å; V276-V298 HydrophobicContact CG2-CG2 4.18Å; V276-I301 HydrophobicContact CB-CG2 4.5Å; V276-I301 HydrophobicContact CG1-CG2 3.65Å; V276-I301 HydrophobicContact CG2-CG2 4Å; V276-T313 HydrophobicContact CB-CG2 4.36Å; V276-T313 HydrophobicContact CG1-CG2 4.45Å; V276-T313 HydrophobicContact CG2-CG2 3.65Å
277I96.7Very high94.3Very high4 Ų438.7 Ų38.72%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-96.2123-176.7-59168000108.4Y245 A267 T268 L279 P287Y245-I277 HydrophobicContact CE1-CD1 3.92Å; A267-I277 CarbonylContact C-O 3.47Å; A267-I277 VanDerWaalsContact CA-O 3.28Å; A267-I277 WeakPolarHBondContact CA-O 2.94Å; T268-I277 HydrophobicContact CG2-CB 3.84Å; T268-I277 HydrophobicContact CG2-CD1 4.38Å; T268-I277 HydrophobicContact CG2-CG2 4.21Å; T268-I277 PolarHBondContact N-O 3.18Å; T268-I277 PolarHBondContact O-N 3.39Å; I277-L279 HydrophobicContact CG2-CD2 3.67Å; I277-L279 HydrophobicContact CG2-CG 4.2Å; I277-P287 HydrophobicContact CG2-CB 3.77Å; I277-P287 HydrophobicContact CG2-CG 3.71Å
278I97.3Very high94.2Very high0 Ų040.1 Ų40.10%022%0.223CC..EExtended strand (participates in β ladder)trans-100.9127.1173.7-48.9-58.4000109Y265 A267 V276 P287 V288 A289 L291 W303 I311 M345Y265-I278 HydrophobicContact CD1-CG2 4.3Å; A267-I278 HydrophobicContact CB-CD1 3.73Å; V276-I278 HydrophobicContact CG1-CD1 4.17Å; I278-P287 CarbonylContact O-C 3.51Å; I278-P287 WeakPolarHBondContact O-CA 3.32Å; I278-V288 HydrophobicContact CB-CG2 4.16Å; I278-V288 HydrophobicContact CG2-CG2 3.77Å; I278-V288 WeakPolarHBondContact O-CG2 3.43Å; I278-V288 PolarHBondContact O-N 2.82Å; I278-A289 HydrophobicContact CB-CB 4.12Å; I278-A289 HydrophobicContact CG1-CB 4.21Å; I278-A289 PolarHBondContact N-O 3.25Å; I278-A289 PolarHBondContact O-N 2.71Å; I278-L291 HydrophobicContact CD1-CD1 4.13Å; I278-L291 HydrophobicContact CG1-CD1 4.33Å; I278-L291 HydrophobicContact CG1-CG 4.31Å; I278-W303 HydrophobicContact CD1-CH2 4.18Å; I278-W303 HydrophobicContact CD1-CZ2 4.21Å; I278-W303 HydrophobicContact CG2-CH2 4.26Å; I278-I311 HydrophobicContact CD1-CD1 4.17Å; I278-M345 HydrophobicContact CB-SD 4.41Å; I278-M345 HydrophobicContact CG2-CE 4.28Å; I278-M345 HydrophobicContact CG2-SD 4.05Å
279L97.1Very high94.1Very high2 Ų240.9 Ų40.91%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-115.3144.9-178.2-55.6176.3000109.8V230 I244 Y245 Y265 I266 T268 I277 P287V230-L279 HydrophobicContact CB-CD1 4.29Å; V230-L279 HydrophobicContact CG1-CD1 4.44Å; V230-L279 HydrophobicContact CG2-CD1 3.77Å; I244-L279 HydrophobicContact CG2-CD1 4.32Å; Y245-L279 HydrophobicContact CD2-CD2 3.83Å; Y245-L279 HydrophobicContact CG-CD1 4.12Å; Y245-L279 HydrophobicContact CG-CD2 3.87Å; Y265-L279 WeakPolarHBondContact CA-O 3.42Å; I266-L279 HydrophobicContact CB-CB 4.49Å; I266-L279 PolarHBondContact N-O 3.1Å; I266-L279 PolarHBondContact O-N 2.98Å; T268-L279 HydrophobicContact CG2-CD1 4.19Å; I277-L279 HydrophobicContact CG2-CD2 3.67Å; I277-L279 HydrophobicContact CG2-CG 4.2Å; L279-P287 HydrophobicContact CD2-CB 4.16Å; L279-P287 HydrophobicContact CD2-CG 3.99Å
280D95.4Very high94Very high7 Ų745.9 Ų45.94%0.03725%0.249CC..EExtended strand (participates in β ladder)trans-108.6118.9165.7-175.9-26.6000108.1N264 Y265 R282 L283 V288N264-D280 CarbonylContact O-C 3.43Å; N264-D280 WeakPolarHBondContact O-CA 3.47Å; Y265-D280 HydrophobicContact CD1-CB 4.24Å; Y265-D280 HydrophobicContact CE1-CB 4.04Å; D280-R282 PolarHBondContact O-N 3.37Å; D280-R282 VanDerWaalsContact OD1-CB 3.23Å; D280-R282 WeakPolarHBondContact OD1-CB 3.37Å; D280-R282 WeakPolarHBondContact OD1-CG 3.38Å; D280-R282 IonicContact OD1-CZ 3.18Å; D280-R282 PolarHBondContact OD1-N 3.38Å; D280-R282 IonicContact OD1-NE 2.65Å; D280-R282 PolarHBondContact OD1-NE 2.77Å; D280-R282 IonicContact OD1-NH2 2.74Å; D280-R282 IonicContact OD2-CZ 3.86Å; D280-R282 IonicContact OD2-NE 2.92Å; D280-R282 PolarHBondContact OD2-NE 3.48Å; D280-R282 IonicContact OD2-NH2 3.92Å; D280-R282 PolarHBondContact OD2-NH2 3.4Å; D280-L283 HydrophobicContact CB-CB 4.33Å; D280-L283 HydrophobicContact CB-CD1 4.44Å; D280-L283 HydrophobicContact CB-CG 4.46Å; D280-L283 CarbonylContact O-C 3.55Å; D280-L283 WeakPolarHBondContact O-CA 3.35Å; D280-L283 PolarHBondContact O-N 2.73Å; D280-V288 HydrophobicContact CB-CG1 3.57Å; D280-V288 HydrophobicContact CB-CG2 4.36Å
281I94.5Very high94Very high22 Ų2245.8 Ų45.811%0.11325%0.248CC..THydrogen-bonded Turntrans-62.1-16.8-176.270.2179.8000113.1I244 W258 P263 N264 I266 L283I244-I281 HydrophobicContact CD1-CB 4.16Å; I244-I281 HydrophobicContact CD1-CG2 3.88Å; W258-I281 HydrophobicContact CZ2-CD1 4.26Å; W258-I281 HydrophobicContact CZ2-CG2 4.38Å; P263-I281 WeakPolarHBondContact O-CD1 3.08Å; N264-I281 PolarHBondContact O-N 2.7Å; I266-I281 HydrophobicContact CD1-CG2 3.6Å; I266-I281 HydrophobicContact CG1-CG2 3.98Å; I281-L283 VanDerWaalsContact C-N 3.33Å
282R93.6Very high94Very high138 Ų13848.9 Ų48.952%0.52126%0.262SS..THydrogen-bonded Turntrans-81.8-16.4176.1-54169.7-67-168.50.5112.1N264 D280 P284N264-R282 WeakPolarHBondContact OD1-CD 3.45Å; D280-R282 PolarHBondContact O-N 3.37Å; D280-R282 VanDerWaalsContact OD1-CB 3.23Å; D280-R282 WeakPolarHBondContact OD1-CB 3.37Å; D280-R282 WeakPolarHBondContact OD1-CG 3.38Å; D280-R282 IonicContact OD1-CZ 3.18Å; D280-R282 PolarHBondContact OD1-N 3.38Å; D280-R282 IonicContact OD1-NE 2.65Å; D280-R282 PolarHBondContact OD1-NE 2.77Å; D280-R282 IonicContact OD1-NH2 2.74Å; D280-R282 IonicContact OD2-CZ 3.86Å; D280-R282 IonicContact OD2-NE 2.92Å; D280-R282 PolarHBondContact OD2-NE 3.48Å; D280-R282 IonicContact OD2-NH2 3.92Å; D280-R282 PolarHBondContact OD2-NH2 3.4Å; R282-P284 VanDerWaalsContact C-CD 3.49Å; R282-P284 WeakPolarHBondContact O-CD 3.18Å
283L93.8Very high94.1Very high97 Ų9746 Ų4651%0.50825%0.247SC..SBendtrans-121.570.5-179-59.3178.1000109.7D280 I281 V288D280-L283 HydrophobicContact CB-CB 4.33Å; D280-L283 HydrophobicContact CB-CD1 4.44Å; D280-L283 HydrophobicContact CB-CG 4.46Å; D280-L283 CarbonylContact O-C 3.55Å; D280-L283 WeakPolarHBondContact O-CA 3.35Å; D280-L283 PolarHBondContact O-N 2.73Å; I281-L283 VanDerWaalsContact C-N 3.33Å; L283-V288 HydrophobicContact CD1-CG1 4.1Å
284P91.2Very high94Very high67 Ų6744.5 Ų44.544%0.43524%0.237SC..THydrogen-bonded Turntrans-60.8154.5-178.427.6-35.5000111.9R282 T286R282-P284 VanDerWaalsContact C-CD 3.49Å; R282-P284 WeakPolarHBondContact O-CD 3.18Å; P284-T286 PolarHBondContact O-N 2.86Å; P284-T286 VanDerWaalsContact O-N 3.15Å
285C91.6Very high93.8Very high89 Ų8951.9 Ų51.960%0.60126%0.26SS*.THydrogen-bonded Turntrans67.9-4.2178.5-510000116I244I244-C285 WeakPolarHBondContact O-CA 3.41Å; I244-C285 PolarHBondContact O-N 2.81Å
286T93.3Very high93.5Very high90 Ų9050.1 Ų50.155%0.55225%0.252SS*.SBendtrans-128.7117-178.3-59.40000111.8P284P284-T286 PolarHBondContact O-N 2.86Å; P284-T286 VanDerWaalsContact O-N 3.15Å
287P95.3Very high93.2Very high30 Ų3051.1 Ų51.120%0.19526%0.258CS..EExtended strand (participates in β ladder)trans-61.5139170.5-25.837.1000112.6Y245 I277 I278 L279Y245-P287 HydrophobicContact CD2-CG 3.92Å; Y245-P287 HydrophobicContact CE2-CG 3.51Å; I277-P287 HydrophobicContact CG2-CB 3.77Å; I277-P287 HydrophobicContact CG2-CG 3.71Å; I278-P287 CarbonylContact O-C 3.51Å; I278-P287 WeakPolarHBondContact O-CA 3.32Å; L279-P287 HydrophobicContact CD2-CB 4.16Å; L279-P287 HydrophobicContact CD2-CG 3.99Å
288V95.5Very high93Very high30 Ų3051 Ų5118%0.18226%0.258CS..EExtended strand (participates in β ladder)trans-88.7-22.9176.4-66.70000112.7Y265 I278 D280 L283 M345Y265-V288 HydrophobicContact CD1-CG2 4.26Å; Y265-V288 HydrophobicContact CE1-CG2 4.12Å; I278-V288 HydrophobicContact CB-CG2 4.16Å; I278-V288 HydrophobicContact CG2-CG2 3.77Å; I278-V288 WeakPolarHBondContact O-CG2 3.43Å; I278-V288 PolarHBondContact O-N 2.82Å; D280-V288 HydrophobicContact CB-CG1 3.57Å; D280-V288 HydrophobicContact CB-CG2 4.36Å; L283-V288 HydrophobicContact CD1-CG1 4.1Å; V288-M345 HydrophobicContact CG2-CE 4.37Å; V288-M345 HydrophobicContact CG2-SD 4.06Å
289A95.5Very high92.5Very high17 Ų1752 Ų5214%0.1426%0.263CS..EExtended strand (participates in β ladder)trans-156.2161.9169.700000111.6I278 M345 I349I278-A289 HydrophobicContact CB-CB 4.12Å; I278-A289 HydrophobicContact CG1-CB 4.21Å; I278-A289 PolarHBondContact N-O 3.25Å; I278-A289 PolarHBondContact O-N 2.71Å; A289-M345 HydrophobicContact CB-CG 3.9Å; A289-M345 HydrophobicContact CB-SD 3.37Å; A289-M345 WeakPolarHBondContact CB-SD 2.94Å; A289-I349 HydrophobicContact CB-CD1 4.42Å
290R94.9Very high92.3Very high105 Ų10552.1 Ų52.140%0.39627%0.265SS..EExtended strand (participates in β ladder)trans-134.3118174.5-71-179.4-179.8-86.95107.2Y245 E275 V276Y245-R290 PolarHBondContact OH-NH2 2.88Å; E275-R290 VanDerWaalsContact CD-CB 3.47Å; E275-R290 HydrophobicContact CG-CB 3.94Å; E275-R290 HydrophobicContact CG-CG 4.47Å; E275-R290 WeakPolarHBondContact OE1-CB 3.27Å; E275-R290 WeakPolarHBondContact OE1-CD 3.23Å; E275-R290 WeakPolarHBondContact OE1-CG 3.28Å; E275-R290 IonicContact OE1-CZ 3.92Å; E275-R290 IonicContact OE1-NE 2.69Å; E275-R290 IonicContact OE1-NH1 3.22Å; E275-R290 PolarHBondContact OE1-NH1 3Å; V276-R290 CarbonylContact O-C 3.58Å; V276-R290 WeakPolarHBondContact O-CA 3.48Å
291L95.4Very high92.3Very high1 Ų152.8 Ų52.81%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-96.2119.8-179.2-51.1176.4000108.3E275 V276 I278 I311 W340 I342 I349E275-L291 VanDerWaalsContact CA-O 3.32Å; E275-L291 WeakPolarHBondContact CA-O 3.24Å; V276-L291 HydrophobicContact CB-CB 4.2Å; V276-L291 HydrophobicContact CB-CD1 4.37Å; V276-L291 PolarHBondContact N-O 3.26Å; V276-L291 PolarHBondContact O-N 3.41Å; I278-L291 HydrophobicContact CD1-CD1 4.13Å; I278-L291 HydrophobicContact CG1-CD1 4.33Å; I278-L291 HydrophobicContact CG1-CG 4.31Å; L291-I311 HydrophobicContact CD1-CG2 3.85Å; L291-W340 HydrophobicContact CB-CD2 4.12Å; L291-W340 HydrophobicContact CB-CE3 4.12Å; L291-W340 HydrophobicContact CB-CH2 3.92Å; L291-W340 HydrophobicContact CB-CZ2 4Å; L291-W340 HydrophobicContact CB-CZ3 4.03Å; L291-W340 HydrophobicContact CD1-CB 4.06Å; L291-W340 HydrophobicContact CD1-CD2 3.93Å; L291-W340 HydrophobicContact CD1-CE3 4.45Å; L291-W340 HydrophobicContact CD1-CG 3.74Å; L291-W340 HydrophobicContact CD2-CD2 4.31Å; L291-W340 HydrophobicContact CD2-CE3 4.01Å; L291-W340 HydrophobicContact CD2-CZ3 4.45Å; L291-W340 HydrophobicContact CG-CD2 4.35Å; L291-W340 HydrophobicContact CG-CE3 4.42Å; L291-I342 HydrophobicContact CD2-CG2 4.28Å; L291-I349 HydrophobicContact CD2-CB 4.02Å; L291-I349 HydrophobicContact CD2-CD1 3.66Å; L291-I349 HydrophobicContact CD2-CG2 4.09Å
292N92Very high92.4Very high89 Ų8952.9 Ų52.948%0.47627%0.27SS..EExtended strand (participates in β ladder)trans-142.493.6-172.7-166.8-2.6000111.3T274 E275T274-N292 PolarHBondContact OG1-OD1 2.8Å; E275-N292 HydrophobicContact CG-CB 4.3Å
293N90.3Very high92.6Very high53 Ų5346.9 Ų46.928%0.28325%0.248SC..  trans-144.5-19.3177.2-159.5-75.1000111.9L338 W340 E350 D351N293-L338 HydrophobicContact CB-CD1 4.13Å; N293-W340 HydrophobicContact CB-CH2 3.3Å; N293-W340 HydrophobicContact CB-CZ2 4.06Å; N293-W340 HydrophobicContact CB-CZ3 4.05Å; N293-E350 PolarHBondContact ND2-O 2.88Å; N293-D351 PolarHBondContact ND2-OD1 3.13Å
294H90.3Very high92.7Very high8 Ų842.3 Ų42.34%0.03722%0.223CC..  trans-54.7144.8169.9-80-73.4000111.8V298 T313 G315 D334 Q336H294-V298 HydrophobicContact CB-CG2 4Å; H294-V298 VanDerWaalsContact CD2-CG2 3.46Å; H294-V298 WeakPolarHBondContact CD2-CG2 3.47Å; H294-T313 WeakPolarHBondContact NE2-CB 3.41Å; H294-T313 PolarHBondContact NE2-OG1 2.85Å; H294-G315 PolarHBondContact CE1-N 2.78Å; H294-D334 WeakPolarHBondContact CA-OD2 3.41Å; H294-D334 VanDerWaalsContact CB-OD2 3.3Å; H294-D334 WeakPolarHBondContact CB-OD2 3.31Å; H294-D334 IonicContact CE1-OD2 2.71Å; H294-D334 IonicContact CG-OD2 3.6Å; H294-D334 IonicContact ND1-OD1 3.9Å; H294-D334 IonicContact ND1-OD2 3.17Å; H294-D334 PolarHBondContact ND1-OD2 3.16Å; H294-Q336 PolarHBondContact CE1-O 2.92Å
295R87.8Confident92.9Very high202 Ų20241 Ų4176%0.76222%0.215SC*.SBendtrans-101.7-7.1-179.6-57.7179.9-178-178.20.8112.6D334R295-D334 HydrophobicContact CB-CB 3.92Å; R295-D334 PolarHBondContact N-OD2 3.07Å
296A86.8Confident93Very high2 Ų241.3 Ų41.32%0.01721%0.208CC..SBendtrans-135.2178.1174.500000109.7T274 E316 A332 D334T274-A296 WeakPolarHBondContact CG2-O 3.28Å; A296-E316 VanDerWaalsContact CB-O 3.29Å; A296-E316 WeakPolarHBondContact CB-O 3.43Å; A296-A332 WeakPolarHBondContact CB-O 3.48Å; A296-D334 HydrophobicContact CB-CB 4.17Å
297C89.3Confident93.1Very high20 Ų2037.9 Ų37.914%0.13519%0.187CC..EExtended strand (participates in β ladder)trans-64.1141-175.7-61.30000110.8D272 T273 G315 E316 S318D272-C297 VanDerWaalsContact C-SG 3.56Å; D272-C297 VanDerWaalsContact CA-SG 3.53Å; T273-C297 CarbonylContact O-C 3.5Å; T273-C297 VanDerWaalsContact O-CA 3.25Å; T273-C297 WeakPolarHBondContact O-CA 3.5Å; C297-G315 CarbonylContact O-C 3.57Å; C297-G315 VanDerWaalsContact O-CA 3.24Å; C297-G315 WeakPolarHBondContact O-CA 3.27Å; C297-E316 PolarHBondContact N-O 3.31Å; C297-E316 PolarHBondContact O-N 3.15Å; C297-S318 VanDerWaalsContact SG-CB 3.55Å
298V91.3Very high93.1Very high3 Ų339 Ų392%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-83.9136.5176-166.50000109I269 T273 T274 V276 H294 A314I269-V298 HydrophobicContact CD1-CB 4.03Å; I269-V298 HydrophobicContact CD1-CG1 3.57Å; I269-V298 HydrophobicContact CG1-CB 4.34Å; I269-V298 HydrophobicContact CG1-CG1 4.18Å; I269-V298 HydrophobicContact CG2-CB 4.08Å; I269-V298 WeakPolarHBondContact CG2-O 3.46Å; T273-V298 PolarHBondContact O-N 2.84Å; T274-V298 WeakPolarHBondContact O-CG2 3.45Å; V276-V298 HydrophobicContact CG2-CB 4.33Å; V276-V298 HydrophobicContact CG2-CG1 3.85Å; V276-V298 HydrophobicContact CG2-CG2 4.18Å; H294-V298 HydrophobicContact CB-CG2 4Å; H294-V298 VanDerWaalsContact CD2-CG2 3.46Å; H294-V298 WeakPolarHBondContact CD2-CG2 3.47Å; V298-A314 VanDerWaalsContact CG1-O 3.27Å; V298-A314 WeakPolarHBondContact CG1-O 3.37Å
299N88.6Confident93.1Very high20 Ų2038.2 Ų38.211%0.10719%0.192CC..EExtended strand (participates in β ladder)trans-128-14.1173.1-164.322.9000113.7R255 A314 E316R255-N299 PolarHBondContact NH2-OD1 2.91Å; N299-A314 PolarHBondContact N-O 2.57Å; N299-E316 HydrophobicContact CB-CB 3.97Å; N299-E316 WeakPolarHBondContact CB-OE2 3.22Å; N299-E316 VanDerWaalsContact CG-OE2 3.31Å; N299-E316 PolarHBondContact ND2-OE2 2.93Å
300G91.3Very high93.2Very high5 Ų539.6 Ų39.65%0.05220%0.195CC..EExtended strand (participates in β ladder)trans-116.7134.9177.900000112.8T313 A314G300-T313 CarbonylContact O-C 3.58Å; G300-T313 WeakPolarHBondContact O-CA 3.34Å; G300-A314 PolarHBondContact N-O 2.79Å; G300-A314 VanDerWaalsContact N-O 3.08Å; G300-A314 PolarHBondContact O-N 2.92Å
301I95.9Very high93.2Very high21 Ų2134.6 Ų34.611%0.10818%0.176CC..EExtended strand (participates in β ladder)trans-139.5128.8169.940.8169.4000110R255 A257 A267 I269 V276 I311 C312 T313R255-I301 HydrophobicContact CB-CD1 3.76Å; R255-I301 HydrophobicContact CB-CG1 3.82Å; A257-I301 HydrophobicContact CB-CB 4.19Å; A257-I301 HydrophobicContact CB-CD1 3.69Å; A257-I301 HydrophobicContact CB-CG1 3.93Å; A267-I301 HydrophobicContact CB-CD1 4.24Å; A267-I301 WeakPolarHBondContact O-CD1 3.46Å; I269-I301 HydrophobicContact CD1-CB 4.19Å; I269-I301 HydrophobicContact CD1-CD1 4.21Å; I269-I301 HydrophobicContact CD1-CG1 3.82Å; I269-I301 HydrophobicContact CD1-CG2 3.59Å; I269-I301 HydrophobicContact CG1-CD1 4.21Å; I269-I301 HydrophobicContact CG1-CG1 4.35Å; I269-I301 HydrophobicContact CG1-CG2 3.85Å; V276-I301 HydrophobicContact CB-CG2 4.5Å; V276-I301 HydrophobicContact CG1-CG2 3.65Å; V276-I301 HydrophobicContact CG2-CG2 4Å; I301-I311 HydrophobicContact CG2-CD1 4.46Å; I301-C312 WeakPolarHBondContact CA-O 3.45Å; I301-T313 HydrophobicContact CG2-CG2 3.99Å
302V96.8Very high93.3Very high23 Ų2334.6 Ų34.614%0.13918%0.176CC..EExtended strand (participates in β ladder)trans-146.4127.8174.964.70000111.4I311 C312 V365 W367V302-I311 WeakPolarHBondContact O-CG1 3.2Å; V302-C312 HydrophobicContact CG1-CB 3.84Å; V302-C312 PolarHBondContact N-O 3.08Å; V302-C312 PolarHBondContact O-N 3.13Å; V302-V365 HydrophobicContact CG1-CG1 4.03Å; V302-V365 HydrophobicContact CG1-CG2 4.05Å; V302-W367 HydrophobicContact CG1-CB 4.4Å; V302-W367 HydrophobicContact CG2-CB 3.99Å
303W97.4Very high93.5Very high13 Ų1330.4 Ų30.45%0.04915%0.154CC..EExtended strand (participates in β ladder)trans-75144174.1-68.997.4000111.2A257 W258 N259 A267 I278 I311 I342A257-W303 PolarHBondContact O-NE1 3.5Å; W258-W303 VanDerWaalsContact C-CD1 3.43Å; N259-W303 HydrophobicContact CB-CD2 3.66Å; N259-W303 HydrophobicContact CB-CE3 4.03Å; N259-W303 HydrophobicContact CB-CG 3.97Å; N259-W303 HydrophobicContact CB-CH2 4.47Å; N259-W303 HydrophobicContact CB-CZ2 4.12Å; N259-W303 HydrophobicContact CB-CZ3 4.43Å; N259-W303 VanDerWaalsContact ND2-CE3 3.27Å; N259-W303 VanDerWaalsContact ND2-CZ3 3.34Å; N259-W303 WeakPolarHBondContact ND2-CZ3 3.43Å; A267-W303 HydrophobicContact CB-CZ2 3.85Å; I278-W303 HydrophobicContact CD1-CH2 4.18Å; I278-W303 HydrophobicContact CD1-CZ2 4.21Å; I278-W303 HydrophobicContact CG2-CH2 4.26Å; W303-I311 HydrophobicContact CD2-CB 4.25Å; W303-I311 HydrophobicContact CD2-CD1 4.04Å; W303-I311 HydrophobicContact CD2-CG1 4.19Å; W303-I311 HydrophobicContact CE3-CB 3.83Å; W303-I311 HydrophobicContact CE3-CD1 4.35Å; W303-I311 HydrophobicContact CE3-CG1 4.29Å; W303-I311 HydrophobicContact CH2-CD1 4.28Å; W303-I311 HydrophobicContact CZ2-CD1 3.98Å; W303-I311 HydrophobicContact CZ3-CB 3.99Å; W303-I311 HydrophobicContact CZ3-CD1 4.44Å; W303-I342 HydrophobicContact CH2-CD1 3.66Å; W303-I342 HydrophobicContact CZ3-CD1 3.58Å; W303-I342 HydrophobicContact CZ3-CG1 4.24Å
304A96.7Very high93.5Very high0 Ų027.9 Ų27.90%014%0.141CC..  trans-65.8135.7171.800000110.3H306 H310 W367A304-H306 PolarHBondContact O-N 2.97Å; A304-H310 HydrophobicContact CB-CB 3.58Å; A304-H310 WeakPolarHBondContact CB-O 3.48Å; A304-H310 PolarHBondContact N-O 3.46Å; A304-W367 HydrophobicContact CB-CD2 4.02Å; A304-W367 HydrophobicContact CB-CE3 3.86Å; A304-W367 HydrophobicContact CB-CH2 3.88Å; A304-W367 HydrophobicContact CB-CZ2 4.05Å; A304-W367 HydrophobicContact CB-CZ3 3.77Å
305P94.2Very high92.9Very high40 Ų4027.5 Ų27.526%0.2614%0.139SC..THydrogen-bonded Turntrans-74.9-14.7-178.330-35.5000113.1V261 W367 Q369 P372V261-P305 WeakPolarHBondContact CG2-O 3.34Å; P305-W367 HydrophobicContact CG-CG 4.22Å; P305-Q369 HydrophobicContact CB-CB 4.49Å; P305-P372 HydrophobicContact CG-CB 4.17Å
306H93.9Very high92Very high96 Ų9620.8 Ų20.844%0.44412%0.116SC..THydrogen-bonded Turntrans-111.1-7.2-173.963.5-91.6000113.8A304 H310 W367 P372A304-H306 PolarHBondContact O-N 2.97Å; H306-H310 AromaticContact NE2-ND1 3.88Å; H306-W367 AromaticContact CE1-CE2 3.84Å; H306-W367 AromaticContact CE1-CZ2 3.52Å; H306-W367 AromaticContact CE1-NE1 3.92Å; H306-P372 HydrophobicContact CB-CB 3.81Å; H306-P372 HydrophobicContact CB-CG 4.49Å; H306-P372 PolarHBondContact CE1-O 2.64Å; H306-P372 VanDerWaalsContact ND1-CB 3.29Å; H306-P372 WeakPolarHBondContact ND1-CB 3.46Å; H306-P372 PolarHBondContact ND1-O 3.16Å
307S95.7Very high90.6Very high18 Ų1822.9 Ų22.913%0.12613%0.126CC..  trans-135.8133.5-177.2175.60000110S309 H310S307-S309 PolarHBondContact O-N 2.84Å; S307-S309 PolarHBondContact OG-N 2.82Å; S307-S309 PolarHBondContact OG-OG 3.3Å; S307-H310 WeakPolarHBondContact CB-ND1 3.35Å; S307-H310 PolarHBondContact OG-N 3.31Å
308S95.3Very high88.8Confident52 Ų5223.3 Ų23.336%0.36413%0.13SC..SBendtrans-74.1-11.3170.354.70000112.8N259N259-S308 PolarHBondContact ND2-O 2.97Å
309S95.9Very high86.4Confident15 Ų1528.9 Ų28.911%0.10516%0.16CC..SBendtrans-113.7-4.8-175.473.50000115.1S307 D341 I342S307-S309 PolarHBondContact O-N 2.84Å; S307-S309 PolarHBondContact OG-N 2.82Å; S307-S309 PolarHBondContact OG-OG 3.3Å; S309-D341 VanDerWaalsContact CB-OD1 3.28Å; S309-D341 WeakPolarHBondContact CB-OD1 3.46Å; S309-D341 WeakPolarHBondContact O-CA 3.5Å; S309-D341 PolarHBondContact OG-OD1 2.85Å; S309-I342 VanDerWaalsContact CA-CG1 3.48Å; S309-I342 WeakPolarHBondContact O-CG1 3.45Å; S309-I342 PolarHBondContact O-N 2.85Å
310H96.7Very high84.3Confident46 Ų4634 Ų3421%0.21319%0.187CC..EExtended strand (participates in β ladder)trans-101.3133.3179-60.4155.1000111.8A304 H306 S307 W340 D341A304-H310 HydrophobicContact CB-CB 3.58Å; A304-H310 WeakPolarHBondContact CB-O 3.48Å; A304-H310 PolarHBondContact N-O 3.46Å; H306-H310 AromaticContact NE2-ND1 3.88Å; S307-H310 WeakPolarHBondContact CB-ND1 3.35Å; S307-H310 PolarHBondContact OG-N 3.31Å; H310-W340 WeakPolarHBondContact CA-O 3.33Å; H310-D341 IonicContact CD2-OD1 3.77Å
311I96.7Very high81.8Confident0 Ų037.5 Ų37.50%021%0.208CC..EExtended strand (participates in β ladder)trans-136.7141.3174.5-172.4173.4000109.1A267 I278 L291 I301 V302 W303 I339 W340 I342A267-I311 HydrophobicContact CB-CD1 3.56Å; I278-I311 HydrophobicContact CD1-CD1 4.17Å; L291-I311 HydrophobicContact CD1-CG2 3.85Å; I301-I311 HydrophobicContact CG2-CD1 4.46Å; V302-I311 WeakPolarHBondContact O-CG1 3.2Å; W303-I311 HydrophobicContact CD2-CB 4.25Å; W303-I311 HydrophobicContact CD2-CD1 4.04Å; W303-I311 HydrophobicContact CD2-CG1 4.19Å; W303-I311 HydrophobicContact CE3-CB 3.83Å; W303-I311 HydrophobicContact CE3-CD1 4.35Å; W303-I311 HydrophobicContact CE3-CG1 4.29Å; W303-I311 HydrophobicContact CH2-CD1 4.28Å; W303-I311 HydrophobicContact CZ2-CD1 3.98Å; W303-I311 HydrophobicContact CZ3-CB 3.99Å; W303-I311 HydrophobicContact CZ3-CD1 4.44Å; I311-I339 WeakPolarHBondContact O-CA 3.42Å; I311-W340 HydrophobicContact CG2-CB 3.8Å; I311-W340 HydrophobicContact CG2-CG 4.24Å; I311-W340 PolarHBondContact N-O 2.85Å; I311-W340 PolarHBondContact O-N 3.29Å; I311-I342 HydrophobicContact CG2-CG2 4.39Å
312C96.5Very high79.3Confident1 Ų138.6 Ų38.61%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-108.5138.1172.4-176.10000110.1I301 V302 L338 I339 W367 I375I301-C312 WeakPolarHBondContact CA-O 3.45Å; V302-C312 HydrophobicContact CG1-CB 3.84Å; V302-C312 PolarHBondContact N-O 3.08Å; V302-C312 PolarHBondContact O-N 3.13Å; C312-L338 CarbonylContact C-O 3.48Å; C312-L338 VanDerWaalsContact CA-O 3.23Å; C312-L338 WeakPolarHBondContact CA-O 3.29Å; C312-I339 HydrophobicContact CB-CG1 4.34Å; C312-W367 HydrophobicContact CB-CE3 3.97Å; C312-W367 HydrophobicContact CB-CZ3 3.85Å; C312-I375 HydrophobicContact CB-CD1 4.06Å
313T95.5Very high76.4Confident0 Ų044.7 Ų44.70%027%0.265CS..EExtended strand (participates in β ladder)trans-128.8147.8-179.364.10000110V276 H294 G300 I301 A337 L338 W340V276-T313 HydrophobicContact CB-CG2 4.36Å; V276-T313 HydrophobicContact CG1-CG2 4.45Å; V276-T313 HydrophobicContact CG2-CG2 3.65Å; H294-T313 WeakPolarHBondContact NE2-CB 3.41Å; H294-T313 PolarHBondContact NE2-OG1 2.85Å; G300-T313 CarbonylContact O-C 3.58Å; G300-T313 WeakPolarHBondContact O-CA 3.34Å; I301-T313 HydrophobicContact CG2-CG2 3.99Å; T313-A337 CarbonylContact O-C 3.55Å; T313-A337 VanDerWaalsContact O-CA 3.29Å; T313-A337 WeakPolarHBondContact O-CA 3.23Å; T313-L338 PolarHBondContact N-O 3.4Å; T313-L338 PolarHBondContact O-N 2.89Å; T313-W340 PolarHBondContact OG1-NE1 2.85Å
314A90.8Very high74.1Confident1 Ų147.9 Ų47.91%0.00830%0.302CS..EExtended strand (participates in β ladder)trans-133.7135.8-178.800000112V298 N299 G300 Q336 I362 V365V298-A314 VanDerWaalsContact CG1-O 3.27Å; V298-A314 WeakPolarHBondContact CG1-O 3.37Å; N299-A314 PolarHBondContact N-O 2.57Å; G300-A314 PolarHBondContact N-O 2.79Å; G300-A314 VanDerWaalsContact N-O 3.08Å; G300-A314 PolarHBondContact O-N 2.92Å; A314-Q336 WeakPolarHBondContact CA-O 3.43Å; A314-I362 HydrophobicContact CB-CB 4.04Å; A314-I362 HydrophobicContact CB-CD1 4.3Å; A314-I362 HydrophobicContact CB-CG2 3.65Å; A314-V365 HydrophobicContact CB-CB 4.15Å; A314-V365 HydrophobicContact CB-CG1 3.87Å
315G78.3Confident71.5Confident0 Ų054.5 Ų54.50%033%0.333CS..EExtended strand (participates in β ladder)trans-95.9145.6179.900000114.2H294 C297 D334 Q336H294-G315 PolarHBondContact CE1-N 2.78Å; C297-G315 CarbonylContact O-C 3.57Å; C297-G315 VanDerWaalsContact O-CA 3.24Å; C297-G315 WeakPolarHBondContact O-CA 3.27Å; G315-D334 WeakPolarHBondContact CA-OD1 3.4Å; G315-Q336 PolarHBondContact N-O 2.93Å; G315-Q336 VanDerWaalsContact N-O 3.13Å
316E68.9Low68.5Low60 Ų6059.9 Ų59.928%0.2837%0.365SS..EExtended strand (participates in β ladder)trans-121.8157.8173.8-176.8177.9168.200110.5A296 C297 N299 S318A296-E316 VanDerWaalsContact CB-O 3.29Å; A296-E316 WeakPolarHBondContact CB-O 3.43Å; C297-E316 PolarHBondContact N-O 3.31Å; C297-E316 PolarHBondContact O-N 3.15Å; N299-E316 HydrophobicContact CB-CB 3.97Å; N299-E316 WeakPolarHBondContact CB-OE2 3.22Å; N299-E316 VanDerWaalsContact CG-OE2 3.31Å; N299-E316 PolarHBondContact ND2-OE2 2.93Å; E316-S318 PolarHBondContact O-N 2.86Å
317L57.6Low65.7Low46 Ų4662.7 Ų62.724%0.24138%0.378CS..  trans-48.2125.2171.3-176.471.2000112.8N319 D333 E361L317-N319 VanDerWaalsContact CD2-CG 3.45Å; L317-N319 VanDerWaalsContact CD2-ND2 3.27Å; L317-N319 WeakPolarHBondContact CD2-ND2 3.23Å; L317-N319 VanDerWaalsContact CD2-OD1 3.28Å; L317-N319 WeakPolarHBondContact CD2-OD1 3.31Å; L317-N319 PolarHBondContact O-N 3.24Å; L317-N319 VanDerWaalsContact O-N 3.16Å; L317-D333 HydrophobicContact CD1-CB 4.45Å; L317-E361 HydrophobicContact CB-CG 4.1Å; L317-E361 WeakPolarHBondContact CB-OE1 3.05Å; L317-E361 WeakPolarHBondContact CB-OE2 3.46Å; L317-E361 WeakPolarHBondContact CD2-OE1 3.31Å
318S50Low62.5Low30 Ų3069 Ų6921%0.2141%0.409CS..  trans-80.188.6163.2630000109.9C297 E316 L320 R329C297-S318 VanDerWaalsContact SG-CB 3.55Å; E316-S318 PolarHBondContact O-N 2.86Å; S318-L320 PolarHBondContact O-N 2.9Å; S318-R329 PolarHBondContact O-NH1 2.85Å; S318-R329 PolarHBondContact OG-NH1 3.03Å
319N42.3Very low59.4Low120 Ų12073.5 Ų73.564%0.64242%0.418SS*.  trans-78.1103.2164.8-86.4-31.6000108.9L317L317-N319 VanDerWaalsContact CD2-CG 3.45Å; L317-N319 VanDerWaalsContact CD2-ND2 3.27Å; L317-N319 WeakPolarHBondContact CD2-ND2 3.23Å; L317-N319 VanDerWaalsContact CD2-OD1 3.28Å; L317-N319 WeakPolarHBondContact CD2-OD1 3.31Å; L317-N319 PolarHBondContact O-N 3.24Å; L317-N319 VanDerWaalsContact O-N 3.16Å
320L43.8Very low56.2Low128 Ų12879.9 Ų79.967%0.6745%0.45SS*.  trans178.1123.4140.7-93.7156.3000110.9S318 R329S318-L320 PolarHBondContact O-N 2.9Å; L320-R329 PolarHBondContact O-NH2 3.18Å
321P38.6Very low53Low77 Ų7782.7 Ų82.750%0.548%0.475SS..  trans-81.1130.5141.523.7-9.9000108.3Q325P321-Q325 WeakPolarHBondContact CB-O 3.39Å
322G45Very low50.4Low45 Ų4584.8 Ų84.846%0.46449%0.492SS..  trans-56.8161.3167.300000111.5G324 Q325G322-G324 PolarHBondContact O-N 3.12Å; G322-Q325 PolarHBondContact O-N 3.39Å
323P35.6Very low48.6Very low150 Ų15086.7 Ų86.797%0.97450%0.502SS*.THydrogen-bonded Turntrans-59.4112.2-178.923.9-31.4000110
324G48Very low47.7Very low81 Ų8187.3 Ų87.384%0.83551%0.505SS*.THydrogen-bonded Turntrans122.8-1.6174.200000117.4G322G322-G324 PolarHBondContact O-N 3.12Å
325Q42Very low47.6Very low138 Ų13889.3 Ų89.365%0.64551%0.514SS*.  trans-113.1105.3175.4-91.2177.24.900112.8P321 G322 Q327P321-Q325 WeakPolarHBondContact CB-O 3.39Å; G322-Q325 PolarHBondContact O-N 3.39Å; Q325-Q327 PolarHBondContact O-N 2.77Å
326V31.3Very low48.2Very low153 Ų15390.8 Ų90.893%0.92752%0.521SS*.  trans-86.594.2161.3179.90000107
327Q34.9Very low49.4Very low155 Ų15588.2 Ų88.272%0.72451%0.51SS*.  trans-123.8123.7167.1-164.9136.310.900109.2Q325 R329Q325-Q327 PolarHBondContact O-N 2.77Å; Q327-R329 PolarHBondContact O-N 3.2Å
328I29.5Very low51.1Low151 Ų15186 Ų8677%0.77450%0.499SS*.  trans-57.698.9176.8-60.5168.5000107.7L330I328-L330 HydrophobicContact CG2-CG 4.42Å; I328-L330 PolarHBondContact O-N 3.04Å
329R30Very low53.3Low146 Ų14685 Ų8555%0.55149%0.491SS*.  trans-82.8104174.9-74.7-165.5178.3-149.25109.2S318 L320 Q327S318-R329 PolarHBondContact O-NH1 2.85Å; S318-R329 PolarHBondContact OG-NH1 3.03Å; L320-R329 PolarHBondContact O-NH2 3.18Å; Q327-R329 PolarHBondContact O-N 3.2Å
330L27.9Very low55.9Low150 Ų15079.3 Ų79.379%0.78546%0.46SS*.  trans-92.6110.3159.5-66.5164.2000105.9I328I328-L330 HydrophobicContact CG2-CG 4.42Å; I328-L330 PolarHBondContact O-N 3.04Å
331S29.5Very low58.4Low105 Ų10575.3 Ų75.373%0.73444%0.44SS*.  trans55.7116.5172.567.50000118.4
332A42.1Very low61Low43 Ų4372 Ų7236%0.35542%0.418SS..  trans-168.150.9150.500000112A296A296-A332 WeakPolarHBondContact CB-O 3.48Å
333D58.4Low63.4Low41 Ų4177 Ų7722%0.21943%0.429CS..  trans-67.6158.7132.138.235.9000107.5L317 H335 E361L317-D333 HydrophobicContact CD1-CB 4.45Å; D333-H335 IonicContact OD1-CD2 3.8Å; D333-H335 IonicContact OD1-CE1 2.86Å; D333-H335 PolarHBondContact OD1-CE1 2.78Å; D333-H335 IonicContact OD1-ND1 3.23Å; D333-H335 IonicContact OD1-NE2 2.87Å; D333-H335 PolarHBondContact OD1-NE2 2.86Å; D333-H335 IonicContact OD2-CE1 3.43Å; D333-H335 PolarHBondContact OD2-CE1 2.84Å; D333-H335 IonicContact OD2-ND1 3.95Å; D333-H335 IonicContact OD2-NE2 3.2Å; D333-H335 PolarHBondContact OD2-NE2 3.09Å; D333-E361 HydrophobicContact CB-CG 3.95Å
334D78.3Confident65.9Low14 Ų1472.5 Ų72.58%0.07540%0.404CS..  trans-100.4-19.1165.873.79.6000111.9H294 R295 A296 G315 Q336H294-D334 WeakPolarHBondContact CA-OD2 3.41Å; H294-D334 VanDerWaalsContact CB-OD2 3.3Å; H294-D334 WeakPolarHBondContact CB-OD2 3.31Å; H294-D334 IonicContact CE1-OD2 2.71Å; H294-D334 IonicContact CG-OD2 3.6Å; H294-D334 IonicContact ND1-OD1 3.9Å; H294-D334 IonicContact ND1-OD2 3.17Å; H294-D334 PolarHBondContact ND1-OD2 3.16Å; R295-D334 HydrophobicContact CB-CB 3.92Å; R295-D334 PolarHBondContact N-OD2 3.07Å; A296-D334 HydrophobicContact CB-CB 4.17Å; G315-D334 WeakPolarHBondContact CA-OD1 3.4Å; D334-Q336 HydrophobicContact CB-CB 4.45Å; D334-Q336 HydrophobicContact CB-CG 3.92Å; D334-Q336 WeakPolarHBondContact O-CG 3.46Å; D334-Q336 PolarHBondContact O-N 2.61Å; D334-Q336 PolarHBondContact OD1-N 3.46Å
335H87.9Confident67.9Low42 Ų4270.3 Ų70.319%0.19437%0.373CS..  trans52.120.6-174.9-53.2-48.7000112.8D333 T357 A358 G360 E361D333-H335 IonicContact OD1-CD2 3.8Å; D333-H335 IonicContact OD1-CE1 2.86Å; D333-H335 PolarHBondContact OD1-CE1 2.78Å; D333-H335 IonicContact OD1-ND1 3.23Å; D333-H335 IonicContact OD1-NE2 2.87Å; D333-H335 PolarHBondContact OD1-NE2 2.86Å; D333-H335 IonicContact OD2-CE1 3.43Å; D333-H335 PolarHBondContact OD2-CE1 2.84Å; D333-H335 IonicContact OD2-ND1 3.95Å; D333-H335 IonicContact OD2-NE2 3.2Å; D333-H335 PolarHBondContact OD2-NE2 3.09Å; H335-T357 HydrophobicContact CB-CG2 4.09Å; H335-T357 CarbonylContact O-C 3.56Å; H335-T357 WeakPolarHBondContact O-CA 3.5Å; H335-A358 PolarHBondContact O-N 3.43Å; H335-G360 PolarHBondContact ND1-O 2.82Å; H335-G360 VanDerWaalsContact ND1-O 3.14Å; H335-E361 PolarHBondContact ND1-N 2.86Å
336Q91.3Very high69.9Low31 Ų3169.6 Ų69.615%0.14538%0.38CS..EExtended strand (participates in β ladder)trans-97.7132.9-168.9-57.1-157.4-57.400110.9H294 A314 G315 D334 L338 Y356H294-Q336 PolarHBondContact CE1-O 2.92Å; A314-Q336 WeakPolarHBondContact CA-O 3.43Å; G315-Q336 PolarHBondContact N-O 2.93Å; G315-Q336 VanDerWaalsContact N-O 3.13Å; D334-Q336 HydrophobicContact CB-CB 4.45Å; D334-Q336 HydrophobicContact CB-CG 3.92Å; D334-Q336 WeakPolarHBondContact O-CG 3.46Å; D334-Q336 PolarHBondContact O-N 2.61Å; D334-Q336 PolarHBondContact OD1-N 3.46Å; Q336-L338 HydrophobicContact CB-CD2 3.97Å; Q336-L338 HydrophobicContact CB-CG 4.19Å; Q336-Y356 CarbonylContact C-O 3.54Å; Q336-Y356 VanDerWaalsContact CA-O 3.28Å; Q336-Y356 WeakPolarHBondContact CA-O 3.16Å
337A93.1Very high72.6Confident6 Ų671.4 Ų71.45%0.0537%0.371CS..EExtended strand (participates in β ladder)trans-100.9120.4154.400000108.1T313 A355 Y356 I362 I377T313-A337 CarbonylContact O-C 3.55Å; T313-A337 VanDerWaalsContact O-CA 3.29Å; T313-A337 WeakPolarHBondContact O-CA 3.23Å; A337-A355 WeakPolarHBondContact O-CA 3.4Å; A337-Y356 PolarHBondContact N-O 2.89Å; A337-Y356 PolarHBondContact O-N 3.14Å; A337-I362 HydrophobicContact CB-CD1 3.91Å; A337-I377 HydrophobicContact CB-CG2 4.39Å
338L94.4Very high74.9Confident1 Ų167.5 Ų67.51%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-110.7136.3-179.6-57.7-177000109.5N293 C312 T313 Q336 W340 P352 L354 A355N293-L338 HydrophobicContact CB-CD1 4.13Å; C312-L338 CarbonylContact C-O 3.48Å; C312-L338 VanDerWaalsContact CA-O 3.23Å; C312-L338 WeakPolarHBondContact CA-O 3.29Å; T313-L338 PolarHBondContact N-O 3.4Å; T313-L338 PolarHBondContact O-N 2.89Å; Q336-L338 HydrophobicContact CB-CD2 3.97Å; Q336-L338 HydrophobicContact CB-CG 4.19Å; L338-W340 HydrophobicContact CB-CZ2 4.2Å; L338-W340 HydrophobicContact CD1-CH2 4.41Å; L338-W340 HydrophobicContact CD1-CZ2 3.72Å; L338-P352 HydrophobicContact CB-CB 4Å; L338-P352 HydrophobicContact CB-CG 4.41Å; L338-P352 HydrophobicContact CD1-CG 4.28Å; L338-P352 HydrophobicContact CD2-CB 4.46Å; L338-P352 HydrophobicContact CD2-CG 4.06Å; L338-P352 HydrophobicContact CG-CG 4.49Å; L338-L354 WeakPolarHBondContact CA-O 3.39Å; L338-A355 HydrophobicContact CD2-CB 3.52Å
339I95.6Very high77.8Confident8 Ų861.5 Ų61.54%0.04133%0.334CS..EExtended strand (participates in β ladder)trans-108.1131.4171.4-54.5-179.1000108.3I311 C312 P352 I353 L354 W367 I375 V388I311-I339 WeakPolarHBondContact O-CA 3.42Å; C312-I339 HydrophobicContact CB-CG1 4.34Å; I339-P352 CarbonylContact O-C 3.59Å; I339-P352 VanDerWaalsContact O-CA 3.31Å; I339-P352 WeakPolarHBondContact O-CA 3.23Å; I339-P352 VanDerWaalsContact O-CB 3.23Å; I339-P352 WeakPolarHBondContact O-CB 3.38Å; I339-I353 HydrophobicContact CB-CG1 4.22Å; I339-I353 HydrophobicContact CG2-CD1 4.01Å; I339-I353 HydrophobicContact CG2-CG1 3.95Å; I339-I353 VanDerWaalsContact O-CG1 3.31Å; I339-I353 WeakPolarHBondContact O-CG1 3.07Å; I339-I353 PolarHBondContact O-N 2.93Å; I339-L354 HydrophobicContact CB-CB 4.07Å; I339-L354 HydrophobicContact CD1-CB 4.17Å; I339-L354 HydrophobicContact CD1-CD2 3.94Å; I339-L354 HydrophobicContact CD1-CG 4.44Å; I339-L354 HydrophobicContact CG1-CB 4.28Å; I339-L354 HydrophobicContact CG1-CD2 4.29Å; I339-L354 PolarHBondContact N-O 3.42Å; I339-L354 PolarHBondContact O-N 3.03Å; I339-W367 HydrophobicContact CD1-CH2 4.07Å; I339-W367 HydrophobicContact CD1-CZ3 4.49Å; I339-W367 HydrophobicContact CG2-CH2 4.12Å; I339-W367 HydrophobicContact CG2-CZ3 4.33Å; I339-I375 HydrophobicContact CD1-CD1 3.8Å; I339-I375 HydrophobicContact CG1-CD1 4.31Å; I339-V388 HydrophobicContact CD1-CB 3.89Å; I339-V388 HydrophobicContact CD1-CG1 3.71Å; I339-V388 HydrophobicContact CD1-CG2 4.46Å
340W96.6Very high80.5Confident0 Ų061.5 Ų61.50%034%0.34CS..EExtended strand (participates in β ladder)trans-116.5147.9-176.2-50.882.8000110.5L291 N293 H310 I311 T313 L338 I349 P352L291-W340 HydrophobicContact CB-CD2 4.12Å; L291-W340 HydrophobicContact CB-CE3 4.12Å; L291-W340 HydrophobicContact CB-CH2 3.92Å; L291-W340 HydrophobicContact CB-CZ2 4Å; L291-W340 HydrophobicContact CB-CZ3 4.03Å; L291-W340 HydrophobicContact CD1-CB 4.06Å; L291-W340 HydrophobicContact CD1-CD2 3.93Å; L291-W340 HydrophobicContact CD1-CE3 4.45Å; L291-W340 HydrophobicContact CD1-CG 3.74Å; L291-W340 HydrophobicContact CD2-CD2 4.31Å; L291-W340 HydrophobicContact CD2-CE3 4.01Å; L291-W340 HydrophobicContact CD2-CZ3 4.45Å; L291-W340 HydrophobicContact CG-CD2 4.35Å; L291-W340 HydrophobicContact CG-CE3 4.42Å; N293-W340 HydrophobicContact CB-CH2 3.3Å; N293-W340 HydrophobicContact CB-CZ2 4.06Å; N293-W340 HydrophobicContact CB-CZ3 4.05Å; H310-W340 WeakPolarHBondContact CA-O 3.33Å; I311-W340 HydrophobicContact CG2-CB 3.8Å; I311-W340 HydrophobicContact CG2-CG 4.24Å; I311-W340 PolarHBondContact N-O 2.85Å; I311-W340 PolarHBondContact O-N 3.29Å; T313-W340 PolarHBondContact OG1-NE1 2.85Å; L338-W340 HydrophobicContact CB-CZ2 4.2Å; L338-W340 HydrophobicContact CD1-CH2 4.41Å; L338-W340 HydrophobicContact CD1-CZ2 3.72Å; W340-I349 HydrophobicContact CE3-CG2 4.06Å; W340-P352 HydrophobicContact CD2-CB 4.1Å; W340-P352 HydrophobicContact CE3-CB 4.11Å; W340-P352 HydrophobicContact CZ3-CB 4.43Å
341D96Very high83.5Confident45 Ų4559.5 Ų59.524%0.24133%0.33CS..EExtended strand (participates in β ladder)trans-111.8113.4166.1-177.813.3000110.1S309 H310 Q343 I353S309-D341 VanDerWaalsContact CB-OD1 3.28Å; S309-D341 WeakPolarHBondContact CB-OD1 3.46Å; S309-D341 WeakPolarHBondContact O-CA 3.5Å; S309-D341 PolarHBondContact OG-OD1 2.85Å; H310-D341 IonicContact CD2-OD1 3.77Å; D341-Q343 WeakPolarHBondContact OD1-CB 3.46Å; D341-Q343 PolarHBondContact OD1-N 2.94Å; D341-I353 HydrophobicContact CB-CD1 4.32Å; D341-I353 HydrophobicContact CB-CG2 3.86Å
342I94.8Very high86.5Confident6 Ų655.8 Ų55.83%0.03130%0.304CS..  trans-93.38.9-179.961.8147.4000112.8L291 W303 S309 I311 A344 M345 I349L291-I342 HydrophobicContact CD2-CG2 4.28Å; W303-I342 HydrophobicContact CH2-CD1 3.66Å; W303-I342 HydrophobicContact CZ3-CD1 3.58Å; W303-I342 HydrophobicContact CZ3-CG1 4.24Å; S309-I342 VanDerWaalsContact CA-CG1 3.48Å; S309-I342 WeakPolarHBondContact O-CG1 3.45Å; S309-I342 PolarHBondContact O-N 2.85Å; I311-I342 HydrophobicContact CG2-CG2 4.39Å; I342-A344 PolarHBondContact O-N 2.79Å; I342-A344 VanDerWaalsContact O-N 3.12Å; I342-M345 HydrophobicContact CB-CE 3.84Å; I342-M345 HydrophobicContact CB-CG 4.03Å; I342-M345 HydrophobicContact CB-SD 3.88Å; I342-M345 HydrophobicContact CD1-CE 3.27Å; I342-M345 HydrophobicContact CD1-SD 4.24Å; I342-M345 HydrophobicContact CG1-CE 4.01Å; I342-M345 HydrophobicContact CG2-SD 4.31Å; I342-M345 WeakPolarHBondContact O-CB 3.38Å; I342-M345 VanDerWaalsContact O-CG 3.27Å; I342-M345 WeakPolarHBondContact O-CG 3.24Å; I342-M345 PolarHBondContact O-N 3.45Å; I342-I349 HydrophobicContact CB-CD1 3.79Å; I342-I349 HydrophobicContact CG2-CD1 3.53Å
343Q93.5Very high89Confident151 Ų15158.6 Ų58.671%0.70631%0.312SS*.THydrogen-bonded Turntrans-58.5-28.9-178.4-174.3177.113.600112.5D341 M345D341-Q343 WeakPolarHBondContact OD1-CB 3.46Å; D341-Q343 PolarHBondContact OD1-N 2.94Å; Q343-M345 VanDerWaalsContact C-N 3.26Å; Q343-M345 PolarHBondContact O-N 2.69Å
344A89.8Confident90.7Very high55 Ų5559.8 Ų59.846%0.45532%0.318SS..THydrogen-bonded Turntrans-75.5-7.6179.600000114.2I342 R347I342-A344 PolarHBondContact O-N 2.79Å; I342-A344 VanDerWaalsContact O-N 3.12Å; A344-R347 HydrophobicContact CB-CB 4.33Å; A344-R347 WeakPolarHBondContact O-CA 3.37Å; A344-R347 WeakPolarHBondContact O-CB 3.27Å; A344-R347 PolarHBondContact O-N 3.4Å
345M89.1Confident91.3Very high35 Ų3562 Ų6217%0.17234%0.338CS..THydrogen-bonded Turntrans-55.1140.5179.8-72.6-170.5-46.400111.9Y265 I278 V288 A289 I342 Q343 I349Y265-M345 HydrophobicContact CD1-CE 4.26Å; Y265-M345 HydrophobicContact CE1-CE 3.88Å; I278-M345 HydrophobicContact CB-SD 4.41Å; I278-M345 HydrophobicContact CG2-CE 4.28Å; I278-M345 HydrophobicContact CG2-SD 4.05Å; V288-M345 HydrophobicContact CG2-CE 4.37Å; V288-M345 HydrophobicContact CG2-SD 4.06Å; A289-M345 HydrophobicContact CB-CG 3.9Å; A289-M345 HydrophobicContact CB-SD 3.37Å; A289-M345 WeakPolarHBondContact CB-SD 2.94Å; I342-M345 HydrophobicContact CB-CE 3.84Å; I342-M345 HydrophobicContact CB-CG 4.03Å; I342-M345 HydrophobicContact CB-SD 3.88Å; I342-M345 HydrophobicContact CD1-CE 3.27Å; I342-M345 HydrophobicContact CD1-SD 4.24Å; I342-M345 HydrophobicContact CG1-CE 4.01Å; I342-M345 HydrophobicContact CG2-SD 4.31Å; I342-M345 WeakPolarHBondContact O-CB 3.38Å; I342-M345 VanDerWaalsContact O-CG 3.27Å; I342-M345 WeakPolarHBondContact O-CG 3.24Å; I342-M345 PolarHBondContact O-N 3.45Å; Q343-M345 VanDerWaalsContact C-N 3.26Å; Q343-M345 PolarHBondContact O-N 2.69Å; M345-I349 HydrophobicContact CG-CD1 3.84Å
346P83.6Confident91.5Very high123 Ų12362.9 Ų62.980%0.79934%0.34SS*.THydrogen-bonded Turncis-87.6129.636.3-37.4000114.4
347R87.5Confident91.5Very high192 Ų19265.6 Ų65.673%0.72536%0.359SS*.SBendtrans-61.6142.6171.6-170.7-179.2172-179.9-3.7109.2A344 I349A344-R347 HydrophobicContact CB-CB 4.33Å; A344-R347 WeakPolarHBondContact O-CA 3.37Å; A344-R347 WeakPolarHBondContact O-CB 3.27Å; A344-R347 PolarHBondContact O-N 3.4Å; R347-I349 PolarHBondContact O-N 2.74Å
348A85Confident91.5Very high73 Ų7365.6 Ų65.660%0.60336%0.359SS*.  trans-54.9136.7174.800000111.1
349I89.6Confident91.2Very high25 Ų2568.5 Ų68.513%0.12839%0.389CS..  trans-104.5108.6175-58.7155.9000105.6A289 L291 W340 I342 M345 R347A289-I349 HydrophobicContact CB-CD1 4.42Å; L291-I349 HydrophobicContact CD2-CB 4.02Å; L291-I349 HydrophobicContact CD2-CD1 3.66Å; L291-I349 HydrophobicContact CD2-CG2 4.09Å; W340-I349 HydrophobicContact CE3-CG2 4.06Å; I342-I349 HydrophobicContact CB-CD1 3.79Å; I342-I349 HydrophobicContact CG2-CD1 3.53Å; M345-I349 HydrophobicContact CG-CD1 3.84Å; R347-I349 PolarHBondContact O-N 2.74Å
350E87Confident90.9Very high145 Ų14568.3 Ų68.368%0.67839%0.389SS*.  trans-89.8-38-170.9-65.1177.5-179.200111.6N293N293-E350 PolarHBondContact ND2-O 2.88Å
351D91.2Very high90.4Very high108 Ų10870.7 Ų70.758%0.57840%0.4SS*.SBendtrans-130.3145.4-173.1-66.2-62.4000112.3N293N293-D351 PolarHBondContact ND2-OD1 3.13Å
352P92.9Very high90.2Very high28 Ų2868.6 Ų68.618%0.18239%0.389CS..  trans-68152166.431.4-35.5000110.7L338 I339 W340L338-P352 HydrophobicContact CB-CB 4Å; L338-P352 HydrophobicContact CB-CG 4.41Å; L338-P352 HydrophobicContact CD1-CG 4.28Å; L338-P352 HydrophobicContact CD2-CB 4.46Å; L338-P352 HydrophobicContact CD2-CG 4.06Å; L338-P352 HydrophobicContact CG-CG 4.49Å; I339-P352 CarbonylContact O-C 3.59Å; I339-P352 VanDerWaalsContact O-CA 3.31Å; I339-P352 WeakPolarHBondContact O-CA 3.23Å; I339-P352 VanDerWaalsContact O-CB 3.23Å; I339-P352 WeakPolarHBondContact O-CB 3.38Å; W340-P352 HydrophobicContact CD2-CB 4.1Å; W340-P352 HydrophobicContact CE3-CB 4.11Å; W340-P352 HydrophobicContact CZ3-CB 4.43Å
353I94.6Very high89.9Confident102 Ų10269.6 Ų69.652%0.52339%0.394SS..SBendtrans-81.7-23176.760.2165000112.7I339 D341I339-I353 HydrophobicContact CB-CG1 4.22Å; I339-I353 HydrophobicContact CG2-CD1 4.01Å; I339-I353 HydrophobicContact CG2-CG1 3.95Å; I339-I353 VanDerWaalsContact O-CG1 3.31Å; I339-I353 WeakPolarHBondContact O-CG1 3.07Å; I339-I353 PolarHBondContact O-N 2.93Å; D341-I353 HydrophobicContact CB-CD1 4.32Å; D341-I353 HydrophobicContact CB-CG2 3.86Å
354L93.3Very high89.8Confident66 Ų6663.9 Ų63.935%0.34637%0.367SS..EExtended strand (participates in β ladder)trans-146.5144.2176.7-170.2147.1000109.8L338 I339L338-L354 WeakPolarHBondContact CA-O 3.39Å; I339-L354 HydrophobicContact CB-CB 4.07Å; I339-L354 HydrophobicContact CD1-CB 4.17Å; I339-L354 HydrophobicContact CD1-CD2 3.94Å; I339-L354 HydrophobicContact CD1-CG 4.44Å; I339-L354 HydrophobicContact CG1-CB 4.28Å; I339-L354 HydrophobicContact CG1-CD2 4.29Å; I339-L354 PolarHBondContact N-O 3.42Å; I339-L354 PolarHBondContact O-N 3.03Å
355A91.5Very high90Very high60 Ų6061.5 Ų61.550%0.49635%0.348SS..EExtended strand (participates in β ladder)trans-133.9136.2174.700000109.9A337 L338A337-A355 WeakPolarHBondContact O-CA 3.4Å; L338-A355 HydrophobicContact CD2-CB 3.52Å
356Y92Very high90.3Very high60 Ų6061.3 Ų61.324%0.23535%0.346CS..EExtended strand (participates in β ladder)trans-124.2137.4172.4-179.5-95.7000109.7Q336 A337 A358 I377 E384 L386Q336-Y356 CarbonylContact C-O 3.54Å; Q336-Y356 VanDerWaalsContact CA-O 3.28Å; Q336-Y356 WeakPolarHBondContact CA-O 3.16Å; A337-Y356 PolarHBondContact N-O 2.89Å; A337-Y356 PolarHBondContact O-N 3.14Å; Y356-A358 HydrophobicContact CE1-CB 4.2Å; Y356-I377 HydrophobicContact CD1-CD1 3.71Å; Y356-I377 HydrophobicContact CE1-CD1 3.37Å; Y356-E384 PolarHBondContact OH-OE2 3.48Å; Y356-L386 HydrophobicContact CD1-CD1 3.51Å; Y356-L386 HydrophobicContact CD2-CD1 3.78Å; Y356-L386 HydrophobicContact CD2-CD2 4.2Å; Y356-L386 HydrophobicContact CE1-CD1 3.75Å; Y356-L386 HydrophobicContact CE1-CD2 4.15Å; Y356-L386 HydrophobicContact CE2-CD1 4.01Å; Y356-L386 HydrophobicContact CE2-CD2 3.65Å; Y356-L386 HydrophobicContact CE2-CG 4.49Å; Y356-L386 HydrophobicContact CG-CD1 3.51Å
357T91.7Very high90.9Very high88 Ų8856 Ų5654%0.5431%0.31SS..EExtended strand (participates in β ladder)trans-108.1112.6175.9-56.20000109.2H335H335-T357 HydrophobicContact CB-CG2 4.09Å; H335-T357 CarbonylContact O-C 3.56Å; H335-T357 WeakPolarHBondContact O-CA 3.5Å
358A91.2Very high91.3Very high6 Ų647 Ų475%0.0528%0.277CS..  trans-73.5164.3176.600000112.2H335 Y356 G360 I362 I377 F379H335-A358 PolarHBondContact O-N 3.43Å; Y356-A358 HydrophobicContact CE1-CB 4.2Å; A358-G360 WeakPolarHBondContact CB-O 3.4Å; A358-G360 PolarHBondContact O-N 3.27Å; A358-I362 HydrophobicContact CB-CD1 3.93Å; A358-I362 HydrophobicContact CB-CG1 3.73Å; A358-I377 HydrophobicContact CB-CD1 4.01Å; A358-F379 HydrophobicContact CB-CD1 3.79Å; A358-F379 HydrophobicContact CB-CE1 3.96Å; A358-F379 HydrophobicContact CB-CG 4.19Å
359G88.9Confident91.7Very high62 Ų6247 Ų4764%0.63926%0.264SS*.SBendtrans-77.66.117500000114.5
360G88.2Confident91.7Very high4 Ų449.1 Ų49.14%0.04128%0.276CS..SBendtrans-175180-17700000111.7H335 A358 I362H335-G360 PolarHBondContact ND1-O 2.82Å; H335-G360 VanDerWaalsContact ND1-O 3.14Å; A358-G360 WeakPolarHBondContact CB-O 3.4Å; A358-G360 PolarHBondContact O-N 3.27Å; G360-I362 PolarHBondContact O-N 3.45Å
361E86.7Confident92.1Very high50 Ų5043.5 Ų43.523%0.23425%0.25CC..  trans-62.7127178.7-67.6164.8-152.600111.1L317 D333 H335 N363 F379L317-E361 HydrophobicContact CB-CG 4.1Å; L317-E361 WeakPolarHBondContact CB-OE1 3.05Å; L317-E361 WeakPolarHBondContact CB-OE2 3.46Å; L317-E361 WeakPolarHBondContact CD2-OE1 3.31Å; D333-E361 HydrophobicContact CB-CG 3.95Å; H335-E361 PolarHBondContact ND1-N 2.86Å; E361-N363 PolarHBondContact O-N 3.24Å; E361-F379 WeakPolarHBondContact O-CA 3.45Å; E361-F379 WeakPolarHBondContact O-CB 3.44Å
362I91.2Very high92.2Very high1 Ų140.4 Ų40.41%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-81.9110.5-176.4-58.1177.7000108.7A314 A337 A358 G360 Q364 I377 C378A314-I362 HydrophobicContact CB-CB 4.04Å; A314-I362 HydrophobicContact CB-CD1 4.3Å; A314-I362 HydrophobicContact CB-CG2 3.65Å; A337-I362 HydrophobicContact CB-CD1 3.91Å; A358-I362 HydrophobicContact CB-CD1 3.93Å; A358-I362 HydrophobicContact CB-CG1 3.73Å; G360-I362 PolarHBondContact O-N 3.45Å; I362-Q364 WeakPolarHBondContact CG2-O 3.32Å; I362-I377 HydrophobicContact CG2-CB 4.26Å; I362-I377 HydrophobicContact CG2-CG2 4.33Å; I362-C378 CarbonylContact C-O 3.57Å; I362-C378 WeakPolarHBondContact CA-O 3.36Å
363N89.3Confident92.3Very high28 Ų2842.8 Ų42.815%0.1525%0.247CC..EExtended strand (participates in β ladder)trans-78.4-39-179.4-66-33.5000112L26 E361 C378L26-N363 PolarHBondContact O-ND2 2.97Å; E361-N363 PolarHBondContact O-N 3.24Å; N363-C378 PolarHBondContact N-O 3.2Å
364Q90.8Very high92.3Very high30 Ų3039.2 Ų39.214%0.1423%0.227CC..EExtended strand (participates in β ladder)trans-145.7153.9176.2-67.5-73.8-36.900110.9Y27 M29 I362 I377 C378Y27-Q364 WeakPolarHBondContact O-CG 3.28Å; M29-Q364 VanDerWaalsContact CE-C 3.44Å; M29-Q364 HydrophobicContact CE-CB 3.74Å; M29-Q364 WeakPolarHBondContact CE-O 3.47Å; M29-Q364 HydrophobicContact CG-CB 4.07Å; M29-Q364 HydrophobicContact SD-CB 4.44Å; I362-Q364 WeakPolarHBondContact CG2-O 3.32Å; Q364-I377 WeakPolarHBondContact O-CA 3.36Å; Q364-C378 PolarHBondContact N-SG 3.39Å; Q364-C378 PolarHBondContact O-N 2.85Å; Q364-C378 VanDerWaalsContact O-N 3.13Å
365V94.9Very high92.4Very high6 Ų636.3 Ų36.34%0.03621%0.211CC..EExtended strand (participates in β ladder)trans-132.8133.7170.161.20000109.4V302 A314 I375 A376 I377V302-V365 HydrophobicContact CG1-CG1 4.03Å; V302-V365 HydrophobicContact CG1-CG2 4.05Å; A314-V365 HydrophobicContact CB-CB 4.15Å; A314-V365 HydrophobicContact CB-CG1 3.87Å; V365-I375 HydrophobicContact CG2-CG2 3.56Å; V365-A376 WeakPolarHBondContact CA-O 3.49Å; V365-I377 HydrophobicContact CB-CG2 4.28Å; V365-I377 HydrophobicContact CG2-CG2 3.92Å
366H95.7Very high92.7Very high31 Ų3133.5 Ų33.514%0.14419%0.188CC..EExtended strand (participates in β ladder)trans-139.6127.2177.4-81.6-85.5000111.7M29 W31 A376M29-H366 HydrophobicContact CE-CB 4.11Å; M29-H366 PolarHBondContact O-CD2 3.45Å; M29-H366 PolarHBondContact O-NE2 2.72Å; M29-H366 VanDerWaalsContact O-NE2 3.13Å; W31-H366 PolarHBondContact NE1-O 2.72Å; H366-A376 PolarHBondContact N-O 3.01Å; H366-A376 PolarHBondContact O-N 2.92Å
367W95.8Very high92.8Very high12 Ų1230.6 Ų30.65%0.04518%0.176CC..EExtended strand (participates in β ladder)trans-78.6132169-145.3-53.2000110.7V302 A304 P305 H306 C312 I339 Q369 P372 I375 V388V302-W367 HydrophobicContact CG1-CB 4.4Å; V302-W367 HydrophobicContact CG2-CB 3.99Å; A304-W367 HydrophobicContact CB-CD2 4.02Å; A304-W367 HydrophobicContact CB-CE3 3.86Å; A304-W367 HydrophobicContact CB-CH2 3.88Å; A304-W367 HydrophobicContact CB-CZ2 4.05Å; A304-W367 HydrophobicContact CB-CZ3 3.77Å; P305-W367 HydrophobicContact CG-CG 4.22Å; H306-W367 AromaticContact CE1-CE2 3.84Å; H306-W367 AromaticContact CE1-CZ2 3.52Å; H306-W367 AromaticContact CE1-NE1 3.92Å; C312-W367 HydrophobicContact CB-CE3 3.97Å; C312-W367 HydrophobicContact CB-CZ3 3.85Å; I339-W367 HydrophobicContact CD1-CH2 4.07Å; I339-W367 HydrophobicContact CD1-CZ3 4.49Å; I339-W367 HydrophobicContact CG2-CH2 4.12Å; I339-W367 HydrophobicContact CG2-CZ3 4.33Å; W367-Q369 PolarHBondContact O-N 3.23Å; W367-P372 PolarHBondContact NE1-O 2.92Å; W367-I375 HydrophobicContact CD2-CD1 3.85Å; W367-I375 HydrophobicContact CD2-CG1 3.73Å; W367-I375 HydrophobicContact CE3-CD1 3.63Å; W367-I375 HydrophobicContact CE3-CG1 4.04Å; W367-I375 HydrophobicContact CG-CG1 4.04Å; W367-I375 HydrophobicContact CH2-CD1 3.86Å; W367-I375 HydrophobicContact CZ2-CD1 4.04Å; W367-I375 HydrophobicContact CZ2-CG1 4.25Å; W367-I375 HydrophobicContact CZ3-CD1 3.65Å; W367-I375 HydrophobicContact CZ3-CG1 4.45Å; W367-V388 HydrophobicContact CH2-CG2 4.24Å; W367-V388 HydrophobicContact CZ2-CG2 3.53Å
368A95.7Very high92.9Very high2 Ų226.5 Ų26.52%0.01715%0.151CC..  trans-72.7116.8177.700000111.1W31 N370 Q371 W374W31-A368 HydrophobicContact CD2-CB 3.66Å; W31-A368 HydrophobicContact CE3-CB 4.05Å; W31-A368 HydrophobicContact CG-CB 3.97Å; W31-A368 HydrophobicContact CH2-CB 4.32Å; W31-A368 HydrophobicContact CZ2-CB 3.98Å; W31-A368 HydrophobicContact CZ3-CB 4.37Å; A368-N370 PolarHBondContact O-N 3.21Å; A368-Q371 HydrophobicContact CB-CB 3.94Å; A368-Q371 WeakPolarHBondContact CB-O 3.41Å; A368-Q371 CarbonylContact O-C 3.5Å; A368-Q371 PolarHBondContact O-N 2.77Å; A368-W374 HydrophobicContact CB-CB 4.24Å; A368-W374 WeakPolarHBondContact CB-O 3.49Å; A368-W374 PolarHBondContact N-O 3.11Å
369Q92.7Very high92.9Very high72 Ų7226.3 Ų26.334%0.33615%0.149SC..THydrogen-bonded Turntrans-66-40.7-174.8-61.9-171.24.200113.7I33 P305 W367I33-Q369 HydrophobicContact CG2-CB 3.84Å; I33-Q369 HydrophobicContact CG2-CG 4.15Å; P305-Q369 HydrophobicContact CB-CB 4.49Å; W367-Q369 PolarHBondContact O-N 3.23Å
370N91.5Very high92.9Very high70 Ų7026.9 Ų26.937%0.37414%0.138SC..THydrogen-bonded Turntrans-92-3.8179.1-75.45.2000113.9I33 A368I33-N370 VanDerWaalsContact C-ND2 3.27Å; I33-N370 PolarHBondContact O-ND2 3.33Å; A368-N370 PolarHBondContact O-N 3.21Å
371Q93.9Very high93.2Very high28 Ų2829.4 Ų29.413%0.13115%0.15CC..  trans-135.165.9-179.4-58.7-171.695.400108.2F39 A368 D373 W374F39-Q371 VanDerWaalsContact CE1-OE1 3.23Å; A368-Q371 HydrophobicContact CB-CB 3.94Å; A368-Q371 WeakPolarHBondContact CB-O 3.41Å; A368-Q371 CarbonylContact O-C 3.5Å; A368-Q371 PolarHBondContact O-N 2.77Å; Q371-D373 PolarHBondContact O-N 2.75Å; Q371-W374 PolarHBondContact O-N 3.42Å
372P93.7Very high93.6Very high43 Ų4327 Ų2728%0.27914%0.139SC..THydrogen-bonded Turntrans-60.6-11.6-166.423.4-34.9000115P305 H306 W367 W374P305-P372 HydrophobicContact CG-CB 4.17Å; H306-P372 HydrophobicContact CB-CB 3.81Å; H306-P372 HydrophobicContact CB-CG 4.49Å; H306-P372 PolarHBondContact CE1-O 2.64Å; H306-P372 VanDerWaalsContact ND1-CB 3.29Å; H306-P372 WeakPolarHBondContact ND1-CB 3.46Å; H306-P372 PolarHBondContact ND1-O 3.16Å; W367-P372 PolarHBondContact NE1-O 2.92Å; P372-W374 PolarHBondContact O-N 2.76Å
373D94.3Very high93.8Very high78 Ų7827 Ų2742%0.41714%0.139SC..THydrogen-bonded Turntrans-80.90.1173.6-57.9-5.7000112.6Q371 R387 V388Q371-D373 PolarHBondContact O-N 2.75Å; D373-R387 HydrophobicContact CB-CG 4.35Å; D373-R387 CarbonylContact O-C 3.41Å; D373-R387 VanDerWaalsContact O-CA 3.23Å; D373-R387 WeakPolarHBondContact O-CA 3.48Å; D373-R387 WeakPolarHBondContact O-CG 3.38Å; D373-R387 IonicContact OD2-NH2 3.74Å; D373-V388 PolarHBondContact O-N 3.31Å
374W95.9Very high94.2Very high27 Ų2726.3 Ų26.310%0.10214%0.135CC..EExtended strand (participates in β ladder)trans-125.5135.5-172.3-64.787.5000113.4Y18 W31 F39 A368 Q371 P372 I385 L386 R387Y18-W374 AromaticContact CD2-CH2 3.78Å; Y18-W374 HydrophobicContact CD2-CH2 3.78Å; Y18-W374 AromaticContact CD2-CZ3 3.86Å; Y18-W374 HydrophobicContact CD2-CZ3 3.86Å; Y18-W374 AromaticContact CE2-CH2 3.56Å; Y18-W374 HydrophobicContact CE2-CH2 3.56Å; Y18-W374 HydrophobicContact CE2-CZ2 4.32Å; Y18-W374 HydrophobicContact CE2-CZ3 4.14Å; W31-W374 HydrophobicContact CH2-CB 4.35Å; W31-W374 HydrophobicContact CZ2-CB 4.41Å; F39-W374 AromaticContact CE1-CD1 3.87Å; F39-W374 AromaticContact CE1-CD2 3.89Å; F39-W374 HydrophobicContact CE1-CD2 3.89Å; F39-W374 AromaticContact CE1-CE2 3.78Å; F39-W374 AromaticContact CE1-CG 3.95Å; F39-W374 HydrophobicContact CE1-CG 3.95Å; F39-W374 HydrophobicContact CE1-CZ2 4.4Å; F39-W374 AromaticContact CE1-NE1 3.74Å; F39-W374 HydrophobicContact CZ-CD2 4.49Å; F39-W374 AromaticContact CZ-CE2 3.91Å; F39-W374 HydrophobicContact CZ-CZ2 4.26Å; F39-W374 AromaticContact CZ-NE1 3.75Å; A368-W374 HydrophobicContact CB-CB 4.24Å; A368-W374 WeakPolarHBondContact CB-O 3.49Å; A368-W374 PolarHBondContact N-O 3.11Å; Q371-W374 PolarHBondContact O-N 3.42Å; P372-W374 PolarHBondContact O-N 2.76Å; W374-I385 HydrophobicContact CD2-CD1 4.47Å; W374-I385 HydrophobicContact CE3-CB 4.15Å; W374-I385 HydrophobicContact CE3-CD1 3.85Å; W374-I385 HydrophobicContact CE3-CG1 4.02Å; W374-I385 HydrophobicContact CZ3-CD1 4.04Å; W374-I385 HydrophobicContact CZ3-CG1 4.1Å; W374-L386 WeakPolarHBondContact CA-O 3.17Å; W374-L386 VanDerWaalsContact CE3-C 3.45Å; W374-R387 HydrophobicContact CD2-CB 4.38Å; W374-R387 HydrophobicContact CE3-CB 4.15Å; W374-R387 HydrophobicContact CH2-CB 3.85Å; W374-R387 HydrophobicContact CH2-CG 4.47Å; W374-R387 HydrophobicContact CZ2-CB 4.11Å; W374-R387 HydrophobicContact CZ2-CG 4.24Å; W374-R387 HydrophobicContact CZ3-CB 3.88Å
375I95.9Very high94.4Very high5 Ų524.9 Ų24.93%0.02613%0.128CC..EExtended strand (participates in β ladder)trans-116.4139.6169.3-61.3-175.8000108.4C312 I339 V365 W367 I377 I385 L386 V388C312-I375 HydrophobicContact CB-CD1 4.06Å; I339-I375 HydrophobicContact CD1-CD1 3.8Å; I339-I375 HydrophobicContact CG1-CD1 4.31Å; V365-I375 HydrophobicContact CG2-CG2 3.56Å; W367-I375 HydrophobicContact CD2-CD1 3.85Å; W367-I375 HydrophobicContact CD2-CG1 3.73Å; W367-I375 HydrophobicContact CE3-CD1 3.63Å; W367-I375 HydrophobicContact CE3-CG1 4.04Å; W367-I375 HydrophobicContact CG-CG1 4.04Å; W367-I375 HydrophobicContact CH2-CD1 3.86Å; W367-I375 HydrophobicContact CZ2-CD1 4.04Å; W367-I375 HydrophobicContact CZ2-CG1 4.25Å; W367-I375 HydrophobicContact CZ3-CD1 3.65Å; W367-I375 HydrophobicContact CZ3-CG1 4.45Å; I375-I377 HydrophobicContact CG2-CG2 4.35Å; I375-I385 CarbonylContact O-C 3.59Å; I375-I385 VanDerWaalsContact O-CA 3.25Å; I375-I385 WeakPolarHBondContact O-CA 3.37Å; I375-L386 PolarHBondContact N-O 3.2Å; I375-L386 PolarHBondContact O-N 2.8Å; I375-V388 HydrophobicContact CB-CG1 4.5Å; I375-V388 HydrophobicContact CD1-CG1 3.84Å; I375-V388 HydrophobicContact CD1-CG2 4.16Å; I375-V388 HydrophobicContact CG1-CG1 4.04Å; I375-V388 HydrophobicContact CG1-CG2 4.02Å
376A96.6Very high94.4Very high0 Ų025.2 Ų25.20%013%0.13CC..EExtended strand (participates in β ladder)trans-101.1139.9165.700000109.8M29 W31 I41 V365 H366 L383 E384 I385M29-A376 HydrophobicContact CE-CB 3.97Å; M29-A376 WeakPolarHBondContact CE-O 3.5Å; M29-A376 HydrophobicContact SD-CB 4.05Å; W31-A376 HydrophobicContact CZ2-CB 3.57Å; W31-A376 VanDerWaalsContact NE1-CB 3.28Å; I41-A376 HydrophobicContact CD1-CB 4.43Å; V365-A376 WeakPolarHBondContact CA-O 3.49Å; H366-A376 PolarHBondContact N-O 3.01Å; H366-A376 PolarHBondContact O-N 2.92Å; A376-L383 HydrophobicContact CB-CD1 4.23Å; A376-E384 CarbonylContact C-O 3.33Å; A376-E384 WeakPolarHBondContact CA-O 3.27Å; A376-I385 HydrophobicContact CB-CG2 4.03Å
377I95Very high94.3Very high0 Ų029.9 Ų29.90%015%0.146CC..EExtended strand (participates in β ladder)trans-126.4142.9167.756.7169.3000108.7A337 Y356 A358 I362 Q364 V365 I375 F379 L383 E384 L386A337-I377 HydrophobicContact CB-CG2 4.39Å; Y356-I377 HydrophobicContact CD1-CD1 3.71Å; Y356-I377 HydrophobicContact CE1-CD1 3.37Å; A358-I377 HydrophobicContact CB-CD1 4.01Å; I362-I377 HydrophobicContact CG2-CB 4.26Å; I362-I377 HydrophobicContact CG2-CG2 4.33Å; Q364-I377 WeakPolarHBondContact O-CA 3.36Å; V365-I377 HydrophobicContact CB-CG2 4.28Å; V365-I377 HydrophobicContact CG2-CG2 3.92Å; I375-I377 HydrophobicContact CG2-CG2 4.35Å; I377-F379 HydrophobicContact CD1-CD1 4.17Å; I377-F379 HydrophobicContact CD1-CE1 4.04Å; I377-F379 HydrophobicContact CG1-CD1 4.43Å; I377-F379 HydrophobicContact CG1-CE1 4.42Å; I377-L383 WeakPolarHBondContact O-CA 3.42Å; I377-E384 HydrophobicContact CD1-CB 4.29Å; I377-E384 HydrophobicContact CG1-CB 3.93Å; I377-E384 PolarHBondContact N-O 3.39Å; I377-E384 PolarHBondContact O-N 3.02Å; I377-L386 HydrophobicContact CD1-CD1 3.96Å; I377-L386 HydrophobicContact CG1-CD1 4.32Å
378C92.8Very high94Very high1 Ų132.9 Ų32.91%0.00717%0.166CC..EExtended strand (participates in β ladder)trans-120.2139.9167.767.50000110.4L26 Y27 M29 I362 N363 Q364 S382 L383L26-C378 HydrophobicContact CB-CB 4.13Å; L26-C378 HydrophobicContact CD1-CB 4.39Å; Y27-C378 PolarHBondContact O-SG 3.42Å; M29-C378 HydrophobicContact SD-CB 3.79Å; I362-C378 CarbonylContact C-O 3.57Å; I362-C378 WeakPolarHBondContact CA-O 3.36Å; N363-C378 PolarHBondContact N-O 3.2Å; Q364-C378 PolarHBondContact N-SG 3.39Å; Q364-C378 PolarHBondContact O-N 2.85Å; Q364-C378 VanDerWaalsContact O-N 3.13Å; C378-S382 WeakPolarHBondContact CA-O 3.41Å; C378-L383 HydrophobicContact CB-CD1 4.14Å
379F91.5Very high94Very high3 Ų334.5 Ų34.51%0.01317%0.173CC..EExtended strand (participates in β ladder)trans-153.2143.5178.657.6-89.8000108.7A358 E361 I377 N381 S382 E384A358-F379 HydrophobicContact CB-CD1 3.79Å; A358-F379 HydrophobicContact CB-CE1 3.96Å; A358-F379 HydrophobicContact CB-CG 4.19Å; E361-F379 WeakPolarHBondContact O-CA 3.45Å; E361-F379 WeakPolarHBondContact O-CB 3.44Å; I377-F379 HydrophobicContact CD1-CD1 4.17Å; I377-F379 HydrophobicContact CD1-CE1 4.04Å; I377-F379 HydrophobicContact CG1-CD1 4.43Å; I377-F379 HydrophobicContact CG1-CE1 4.42Å; F379-N381 PolarHBondContact O-N 3.39Å; F379-N381 VanDerWaalsContact O-N 3.16Å; F379-S382 PolarHBondContact N-O 3.43Å; F379-S382 WeakPolarHBondContact O-CA 3.05Å; F379-S382 PolarHBondContact O-N 3.27Å; F379-E384 HydrophobicContact CE1-CB 4.36Å; F379-E384 HydrophobicContact CE1-CG 3.85Å; F379-E384 WeakPolarHBondContact CE1-OE2 3.28Å; F379-E384 HydrophobicContact CZ-CG 4.08Å
380N89.9Confident94Very high73 Ų7332.5 Ų32.539%0.3917%0.165SC..THydrogen-bonded Turntrans46.6-124.7-174.8-61.7-30.5000110.7N25 L26N25-N380 CarbonylContact C-O 3.57Å; N25-N380 VanDerWaalsContact CA-O 3.23Å; N25-N380 WeakPolarHBondContact CA-O 3.25Å; L26-N380 PolarHBondContact N-O 3.47Å
381N92.7Very high94.2Very high57 Ų5730.4 Ų30.431%0.30515%0.153SC..THydrogen-bonded Turntrans-97.513175.373.8-28.3000114S22 W24 F379S22-N381 VanDerWaalsContact CB-O 3.28Å; S22-N381 WeakPolarHBondContact CB-O 2.97Å; S22-N381 PolarHBondContact N-O 3.44Å; S22-N381 WeakPolarHBondContact O-CB 3.29Å; S22-N381 PolarHBondContact O-ND2 2.86Å; W24-N381 VanDerWaalsContact O-CA 3.28Å; W24-N381 WeakPolarHBondContact O-CA 3.42Å; W24-N381 VanDerWaalsContact O-CB 3.24Å; W24-N381 WeakPolarHBondContact O-CB 3.49Å; F379-N381 PolarHBondContact O-N 3.39Å; F379-N381 VanDerWaalsContact O-N 3.16Å
382S95.3Very high94.2Very high1 Ų130.5 Ų30.51%0.00715%0.154CC..EExtended strand (participates in β ladder)trans-116142.4-171.8-63.80000111.7R19 Y20 C378 F379R19-S382 PolarHBondContact NE-OG 3.18Å; R19-S382 PolarHBondContact NH2-OG 3.35Å; Y20-S382 WeakPolarHBondContact O-CA 3.25Å; C378-S382 WeakPolarHBondContact CA-O 3.41Å; F379-S382 PolarHBondContact N-O 3.43Å; F379-S382 WeakPolarHBondContact O-CA 3.05Å; F379-S382 PolarHBondContact O-N 3.27Å
383L96.6Very high94.2Very high0 Ų029.8 Ų29.80%015%0.146CC..EExtended strand (participates in β ladder)trans-116.5130165.6174.590.4000107.7R19 Y20 L26 M29 I41 V43 I72 A376 I377 C378R19-L383 CarbonylContact C-O 3.53Å; R19-L383 WeakPolarHBondContact CA-O 3.3Å; Y20-L383 HydrophobicContact CD1-CB 4.41Å; Y20-L383 PolarHBondContact N-O 3.31Å; Y20-L383 PolarHBondContact O-N 3.3Å; L26-L383 HydrophobicContact CD1-CB 3.91Å; M29-L383 HydrophobicContact SD-CD1 3.32Å; M29-L383 WeakPolarHBondContact SD-CD1 3.36Å; I41-L383 HydrophobicContact CD1-CD2 3.79Å; I41-L383 HydrophobicContact CG2-CD2 4.25Å; V43-L383 HydrophobicContact CG1-CD1 4.34Å; V43-L383 HydrophobicContact CG1-CD2 4.13Å; I72-L383 HydrophobicContact CD1-CD2 3.37Å; A376-L383 HydrophobicContact CB-CD1 4.23Å; I377-L383 WeakPolarHBondContact O-CA 3.42Å; C378-L383 HydrophobicContact CB-CD1 4.14Å
384E96.1Very high94.2Very high14 Ų1426.5 Ų26.57%0.06513%0.128CC..EExtended strand (participates in β ladder)trans-119.8136.2172.4-67.6-179.9163.300109.6Y18 R19 Y356 A376 I377 F379 L386Y18-E384 CarbonylContact O-C 3.54Å; Y18-E384 WeakPolarHBondContact O-CA 2.99Å; R19-E384 HydrophobicContact CB-CG 4.12Å; R19-E384 HydrophobicContact CG-CG 3.91Å; R19-E384 IonicContact NE-OE1 2.8Å; R19-E384 IonicContact NH1-OE1 3.2Å; Y356-E384 PolarHBondContact OH-OE2 3.48Å; A376-E384 CarbonylContact C-O 3.33Å; A376-E384 WeakPolarHBondContact CA-O 3.27Å; I377-E384 HydrophobicContact CD1-CB 4.29Å; I377-E384 HydrophobicContact CG1-CB 3.93Å; I377-E384 PolarHBondContact N-O 3.39Å; I377-E384 PolarHBondContact O-N 3.02Å; F379-E384 HydrophobicContact CE1-CB 4.36Å; F379-E384 HydrophobicContact CE1-CG 3.85Å; F379-E384 WeakPolarHBondContact CE1-OE2 3.28Å; F379-E384 HydrophobicContact CZ-CG 4.08Å; E384-L386 HydrophobicContact CB-CD2 4.34Å
385I96.4Very high94.1Very high0 Ų026.5 Ų26.50%013%0.13CC..EExtended strand (participates in β ladder)trans-106.7130.7165.966.3161.9000108.7V17 Y18 W31 F39 I41 L74 F81 W374 I375 A376V17-I385 WeakPolarHBondContact CA-O 3.46Å; Y18-I385 HydrophobicContact CD2-CD1 3.97Å; Y18-I385 HydrophobicContact CD2-CG1 4.11Å; Y18-I385 HydrophobicContact CG-CD1 4.43Å; Y18-I385 HydrophobicContact CG-CG1 4.38Å; Y18-I385 PolarHBondContact N-O 3.43Å; Y18-I385 PolarHBondContact O-N 2.97Å; W31-I385 HydrophobicContact CH2-CB 3.96Å; W31-I385 HydrophobicContact CH2-CD1 4.09Å; W31-I385 HydrophobicContact CH2-CG2 3.43Å; W31-I385 VanDerWaalsContact CH2-CG2 3.43Å; W31-I385 HydrophobicContact CZ2-CB 4.14Å; W31-I385 HydrophobicContact CZ2-CG2 3.55Å; W31-I385 HydrophobicContact CZ3-CG2 4.47Å; F39-I385 HydrophobicContact CD1-CD1 3.79Å; F39-I385 HydrophobicContact CE1-CD1 4.03Å; I41-I385 HydrophobicContact CD1-CG2 3.7Å; L74-I385 HydrophobicContact CD2-CD1 4.21Å; F81-I385 HydrophobicContact CE2-CD1 4.32Å; F81-I385 HydrophobicContact CE2-CG1 4.08Å; F81-I385 HydrophobicContact CZ-CD1 3.78Å; F81-I385 HydrophobicContact CZ-CG1 3.9Å; F81-I385 HydrophobicContact CZ-CG2 3.94Å; W374-I385 HydrophobicContact CD2-CD1 4.47Å; W374-I385 HydrophobicContact CE3-CB 4.15Å; W374-I385 HydrophobicContact CE3-CD1 3.85Å; W374-I385 HydrophobicContact CE3-CG1 4.02Å; W374-I385 HydrophobicContact CZ3-CD1 4.04Å; W374-I385 HydrophobicContact CZ3-CG1 4.1Å; I375-I385 CarbonylContact O-C 3.59Å; I375-I385 VanDerWaalsContact O-CA 3.25Å; I375-I385 WeakPolarHBondContact O-CA 3.37Å; A376-I385 HydrophobicContact CB-CG2 4.03Å
386L94.7Very high93.9Very high12 Ų1228.2 Ų28.26%0.06314%0.138CC..EExtended strand (participates in β ladder)trans-118.4133.4-172.6-51.9174.8000108.4V17 Y356 W374 I375 I377 E384V17-L386 HydrophobicContact CB-CD2 4.25Å; V17-L386 HydrophobicContact CG1-CD2 3.76Å; V17-L386 HydrophobicContact CG2-CD2 3.65Å; Y356-L386 HydrophobicContact CD1-CD1 3.51Å; Y356-L386 HydrophobicContact CD2-CD1 3.78Å; Y356-L386 HydrophobicContact CD2-CD2 4.2Å; Y356-L386 HydrophobicContact CE1-CD1 3.75Å; Y356-L386 HydrophobicContact CE1-CD2 4.15Å; Y356-L386 HydrophobicContact CE2-CD1 4.01Å; Y356-L386 HydrophobicContact CE2-CD2 3.65Å; Y356-L386 HydrophobicContact CE2-CG 4.49Å; Y356-L386 HydrophobicContact CG-CD1 3.51Å; W374-L386 WeakPolarHBondContact CA-O 3.17Å; W374-L386 VanDerWaalsContact CE3-C 3.45Å; I375-L386 PolarHBondContact N-O 3.2Å; I375-L386 PolarHBondContact O-N 2.8Å; I377-L386 HydrophobicContact CD1-CD1 3.96Å; I377-L386 HydrophobicContact CG1-CD1 4.32Å; E384-L386 HydrophobicContact CB-CD2 4.34Å
387R93.9Very high93.7Very high129 Ų12930.5 Ų30.549%0.48715%0.15SC..EExtended strand (participates in β ladder)trans-81132.9168.4-164.5178.1-176.3-167.9-1.9109.7E16 D373 W374E16-R387 HydrophobicContact CB-CB 4.49Å; E16-R387 PolarHBondContact O-N 2.94Å; D373-R387 HydrophobicContact CB-CG 4.35Å; D373-R387 CarbonylContact O-C 3.41Å; D373-R387 VanDerWaalsContact O-CA 3.23Å; D373-R387 WeakPolarHBondContact O-CA 3.48Å; D373-R387 WeakPolarHBondContact O-CG 3.38Å; D373-R387 IonicContact OD2-NH2 3.74Å; W374-R387 HydrophobicContact CD2-CB 4.38Å; W374-R387 HydrophobicContact CE3-CB 4.15Å; W374-R387 HydrophobicContact CH2-CB 3.85Å; W374-R387 HydrophobicContact CH2-CG 4.47Å; W374-R387 HydrophobicContact CZ2-CB 4.11Å; W374-R387 HydrophobicContact CZ2-CG 4.24Å; W374-R387 HydrophobicContact CZ3-CB 3.88Å
388V89.9Confident93.6Very high76 Ų7633.3 Ų33.346%0.46116%0.163SC..  trans-122.70-175.9-62.40000113.4I339 W367 D373 I375I339-V388 HydrophobicContact CD1-CB 3.89Å; I339-V388 HydrophobicContact CD1-CG1 3.71Å; I339-V388 HydrophobicContact CD1-CG2 4.46Å; W367-V388 HydrophobicContact CH2-CG2 4.24Å; W367-V388 HydrophobicContact CZ2-CG2 3.53Å; D373-V388 PolarHBondContact O-N 3.31Å; I375-V388 HydrophobicContact CB-CG1 4.5Å; I375-V388 HydrophobicContact CD1-CG1 3.84Å; I375-V388 HydrophobicContact CD1-CG2 4.16Å; I375-V388 HydrophobicContact CG1-CG1 4.04Å; I375-V388 HydrophobicContact CG1-CG2 4.02Å

Retrieved 388 of 388 residues in 240.3 ms (Link to these results)