G4VS96_SCHMA Loading...

40S ribosomal protein S4

AlphaFold DB , UniProt , Accession G4VS96, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 264 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
1M49.8Very low83.6Confident247 Ų247129.6 Ų129.6100%1.21765%0.65SS**  0117.80-76.9-171.4-162.100110.6
2G73.4Confident84.7Confident65 Ų65120.5 Ų120.567%0.6760%0.602SS**  trans-74.9149.9169.900000111.7R4G2-R4 PolarHBondContact O-N 3.11Å
3V66.2Low85.5Confident96 Ų96123 Ų12358%0.58262%0.618SS**  trans-63.9121.8176.2-178.30000109.8G5 R7V3-G5 WeakPolarHBondContact CG1-O 3.48Å; V3-R7 HydrophobicContact CB-CG 4.29Å; V3-R7 HydrophobicContact CG1-CG 4.01Å
4R81.4Confident86.1Confident254 Ų254119.7 Ų119.796%0.95860%0.603SS**  trans-9318.2-179.3-64.7-175.3175.7178.3-1.5114.6G2G2-R4 PolarHBondContact O-N 3.11Å
5G89.9Confident86.8Confident51 Ų51112.4 Ų112.453%0.52657%0.568SS.*SBendtrans-159.7-166.8-175.800000113.7V3 R7V3-G5 WeakPolarHBondContact CG1-O 3.48Å; G5-R7 PolarHBondContact O-N 2.98Å
6N90.3Very high87.4Confident131 Ų131105.7 Ų105.770%0.70154%0.535SS*.  trans-61.9120.5-178.5-171.713.8000111.1K8N6-K8 PolarHBondContact O-N 3.17Å
7R90.5Very high87.9Confident140 Ų140111.4 Ų111.453%0.52856%0.555SS.*  trans-72.1123.6178.6-65.9-178-179.2-176.90.9109.3V3 G5 R31V3-R7 HydrophobicContact CB-CG 4.29Å; V3-R7 HydrophobicContact CG1-CG 4.01Å; G5-R7 PolarHBondContact O-N 2.98Å; R7-R31 WeakPolarHBondContact O-CD 3.48Å; R7-R31 PolarHBondContact O-NE 2.79Å; R7-R31 PolarHBondContact O-NH2 2.82Å
8K92.3Very high88.3Confident173 Ų173106.9 Ų106.975%0.75253%0.532SS*.  trans-86.9-20.8174.7-65.2-177.3174.4177.50113.5N6 R31N6-K8 PolarHBondContact O-N 3.17Å; K8-R31 WeakPolarHBondContact O-CD 3.41Å
9H94.3Very high88.7Confident137 Ų137101.3 Ų101.363%0.63450%0.504SS*.  trans-110.6151.7-175.2-61.597.1000112.3F28H9-F28 HydrophobicContact CB-CD1 4.42Å; H9-F28 HydrophobicContact CB-CE1 4.27Å
10L95.8Very high88.9Confident11 Ų11100.7 Ų100.76%0.05850%0.501CS..EExtended strand (participates in β ladder)trans-129.3117.1172.1-179.465.2000108.4N14 A15 W19 A29 R31L10-N14 HydrophobicContact CD1-CB 4.35Å; L10-A15 HydrophobicContact CD2-CB 4.34Å; L10-W19 HydrophobicContact CD2-CH2 4.04Å; L10-W19 HydrophobicContact CD2-CZ3 3.84Å; L10-A29 HydrophobicContact CD2-CB 4.18Å; L10-A29 HydrophobicContact CG-CB 4.29Å; L10-A29 PolarHBondContact O-N 2.88Å; L10-R31 HydrophobicContact CB-CB 3.79Å; L10-R31 HydrophobicContact CB-CG 4.21Å
11K96.4Very high89.2Confident121 Ų12197.4 Ų97.453%0.52649%0.485SS..EExtended strand (participates in β ladder)trans-67.3142.3173.2-69.5-69.8-174.5176.10109.7L13 N14 A15 F28K11-L13 VanDerWaalsContact C-N 3.33Å; K11-L13 PolarHBondContact O-N 3.24Å; K11-N14 PolarHBondContact O-N 3.45Å; K11-A15 PolarHBondContact O-N 3.26Å; K11-F28 HydrophobicContact CD-CD1 4.12Å; K11-F28 HydrophobicContact CD-CE1 3.89Å
12R96.1Very high91.4Very high20 Ų2089.5 Ų89.58%0.07545%0.448CS..G310 helixtrans-60-41.9-173.6-166.9173.2-166108.9-10.6113.2N14 A15 L21 D22 G25 G26 N27 F28 A29R12-N14 PolarHBondContact O-N 3.03Å; R12-A15 WeakPolarHBondContact O-CB 3.27Å; R12-A15 PolarHBondContact O-N 3.01Å; R12-L21 HydrophobicContact CG-CB 4.41Å; R12-L21 HydrophobicContact CG-CD1 4.46Å; R12-D22 VanDerWaalsContact CD-O 3.31Å; R12-D22 WeakPolarHBondContact CD-O 3.3Å; R12-D22 IonicContact CZ-OD1 3.62Å; R12-D22 PolarHBondContact NE-O 2.79Å; R12-D22 IonicContact NE-OD1 3.86Å; R12-D22 IonicContact NH2-OD1 2.65Å; R12-D22 PolarHBondContact NH2-OD1 3.03Å; R12-G25 PolarHBondContact NH1-O 3.17Å; R12-G26 WeakPolarHBondContact CD-O 3.43Å; R12-N27 PolarHBondContact N-O 2.9Å; R12-F28 PolarHBondContact NH1-O 3.4Å; R12-A29 HydrophobicContact CB-CB 4.44Å; R12-A29 HydrophobicContact CG-CB 4.44Å
13L94.7Very high92.4Very high153 Ų15394.7 Ų94.780%0.80145%0.452SS*.G310 helixtrans-62.3-25.8176.7-64.6175.7000113.7K11K11-L13 VanDerWaalsContact C-N 3.33Å; K11-L13 PolarHBondContact O-N 3.24Å
14N95.1Very high93.7Very high77 Ų7798.1 Ų98.141%0.41247%0.466SS..G310 helixtrans-93.10.1177.8-164.812.7000112.8L10 K11 R12 R40L10-N14 HydrophobicContact CD1-CB 4.35Å; K11-N14 PolarHBondContact O-N 3.45Å; R12-N14 PolarHBondContact O-N 3.03Å; N14-R40 PolarHBondContact OD1-NH2 2.78Å; N14-R40 VanDerWaalsContact OD1-NH2 3.12Å
15A96.1Very high94.1Very high10 Ų1088 Ų888%0.08344%0.441CS..SBendtrans-64.4151.7174.300000110.8L10 K11 R12 K17 W19 L21 A29L10-A15 HydrophobicContact CD2-CB 4.34Å; K11-A15 PolarHBondContact O-N 3.26Å; R12-A15 WeakPolarHBondContact O-CB 3.27Å; R12-A15 PolarHBondContact O-N 3.01Å; A15-K17 PolarHBondContact O-N 3.29Å; A15-W19 HydrophobicContact CB-CE3 3.9Å; A15-W19 HydrophobicContact CB-CZ3 4.04Å; A15-L21 HydrophobicContact CB-CD1 4.02Å; A15-A29 HydrophobicContact CB-CB 3.64Å
16P96.2Very high94.3Very high5 Ų587.3 Ų87.33%0.03243%0.434CS..  trans-55.2125.4172.7-24.734.4000112H18 W19 L39 R40P16-H18 WeakPolarHBondContact CB-CE1 3.37Å; P16-H18 WeakPolarHBondContact CB-ND1 3.34Å; P16-H18 PolarHBondContact O-N 3.43Å; P16-H18 VanDerWaalsContact O-N 3.12Å; P16-W19 HydrophobicContact CB-CD2 4.18Å; P16-W19 HydrophobicContact CB-CG 4.32Å; P16-W19 HydrophobicContact CB-CZ2 4.41Å; P16-W19 HydrophobicContact CG-CD2 4.08Å; P16-W19 HydrophobicContact CG-CE3 4.43Å; P16-W19 HydrophobicContact CG-CH2 3.92Å; P16-W19 HydrophobicContact CG-CZ2 3.57Å; P16-W19 HydrophobicContact CG-CZ3 4.37Å; P16-W19 WeakPolarHBondContact O-CB 3.45Å; P16-W19 PolarHBondContact O-N 2.97Å; P16-L39 HydrophobicContact CG-CD2 4.45Å; P16-R40 HydrophobicContact CG-CG 4.3Å
17K95.5Very high94.6Very high203 Ų20387 Ų8788%0.88343%0.432SS*.G310 helixtrans-56.9-31.5-177.7-65.1-175.2179-179.20112.8A15 W19 M20A15-K17 PolarHBondContact O-N 3.29Å; K17-W19 PolarHBondContact O-N 2.83Å; K17-M20 PolarHBondContact O-N 3.43Å
18H95Very high94.9Very high31 Ų3185.1 Ų85.114%0.14443%0.428CS..G310 helixtrans-68.5-12179.970.9-98.5000113.9P16 M20 R40 R52 G108 F110P16-H18 WeakPolarHBondContact CB-CE1 3.37Å; P16-H18 WeakPolarHBondContact CB-ND1 3.34Å; P16-H18 PolarHBondContact O-N 3.43Å; P16-H18 VanDerWaalsContact O-N 3.12Å; H18-M20 PolarHBondContact O-N 2.64Å; H18-R40 PolarHBondContact CE1-O 2.73Å; H18-R52 PolarHBondContact O-NH2 3.23Å; H18-G108 WeakPolarHBondContact CB-O 3.41Å; H18-F110 AromaticContact CD2-CD2 3.63Å; H18-F110 AromaticContact CD2-CE2 3.78Å; H18-F110 AromaticContact NE2-CD2 3.84Å; H18-F110 AromaticContact NE2-CE2 3.52Å
19W95.8Very high95.1Very high0 Ų077.3 Ų77.30%040%0.395CS..G310 helixtrans-71.7-17.5168.5-65.2-7.1000112.6L10 A15 P16 K17 L21 P30 P32 C42 L43 P44 I47 R52L10-W19 HydrophobicContact CD2-CH2 4.04Å; L10-W19 HydrophobicContact CD2-CZ3 3.84Å; A15-W19 HydrophobicContact CB-CE3 3.9Å; A15-W19 HydrophobicContact CB-CZ3 4.04Å; P16-W19 HydrophobicContact CB-CD2 4.18Å; P16-W19 HydrophobicContact CB-CG 4.32Å; P16-W19 HydrophobicContact CB-CZ2 4.41Å; P16-W19 HydrophobicContact CG-CD2 4.08Å; P16-W19 HydrophobicContact CG-CE3 4.43Å; P16-W19 HydrophobicContact CG-CH2 3.92Å; P16-W19 HydrophobicContact CG-CZ2 3.57Å; P16-W19 HydrophobicContact CG-CZ3 4.37Å; P16-W19 WeakPolarHBondContact O-CB 3.45Å; P16-W19 PolarHBondContact O-N 2.97Å; K17-W19 PolarHBondContact O-N 2.83Å; W19-L21 VanDerWaalsContact C-N 3.27Å; W19-L21 HydrophobicContact CB-CG 4.1Å; W19-L21 HydrophobicContact CE3-CD1 4.07Å; W19-L21 PolarHBondContact O-N 2.91Å; W19-P30 WeakPolarHBondContact CZ3-O 3.46Å; W19-P32 HydrophobicContact CH2-CG 3.5Å; W19-P32 HydrophobicContact CZ2-CG 3.73Å; W19-C42 PolarHBondContact NE1-O 2.83Å; W19-L43 HydrophobicContact CG-CD1 4.45Å; W19-P44 HydrophobicContact CH2-CG 4.02Å; W19-P44 HydrophobicContact CZ2-CG 3.96Å; W19-P44 HydrophobicContact CZ3-CG 4.45Å; W19-I47 HydrophobicContact CB-CD1 4.06Å; W19-I47 HydrophobicContact CD2-CD1 3.57Å; W19-I47 HydrophobicContact CE3-CD1 3.35Å; W19-I47 HydrophobicContact CG-CD1 3.88Å; W19-I47 HydrophobicContact CZ3-CD1 4.06Å; W19-R52 PolarHBondContact O-NH1 3.45Å; W19-R52 VanDerWaalsContact O-NH1 3.08Å; W19-R52 PolarHBondContact O-NH2 2.98Å
20M94.3Very high95.1Very high88 Ų8871 Ų7143%0.43337%0.367SS..  trans53.345.7-178.8-53.8-168.9-72.600111.8K17 H18 R52 R109K17-M20 PolarHBondContact O-N 3.43Å; H18-M20 PolarHBondContact O-N 2.64Å; M20-R52 VanDerWaalsContact CE-NH2 3.32Å; M20-R109 WeakPolarHBondContact SD-CD 3.09Å; M20-R109 HydrophobicContact SD-CG 4.42Å
21L94.9Very high95.2Very high32 Ų3273.4 Ų73.417%0.16838%0.375CS..  trans-77.5132.5168.1-60.9-178.1000108.3R12 A15 W19 A29 I47R12-L21 HydrophobicContact CG-CB 4.41Å; R12-L21 HydrophobicContact CG-CD1 4.46Å; A15-L21 HydrophobicContact CB-CD1 4.02Å; W19-L21 VanDerWaalsContact C-N 3.27Å; W19-L21 HydrophobicContact CB-CG 4.1Å; W19-L21 HydrophobicContact CE3-CD1 4.07Å; W19-L21 PolarHBondContact O-N 2.91Å; L21-A29 HydrophobicContact CD1-CB 3.64Å; L21-I47 HydrophobicContact CD1-CD1 4.29Å; L21-I47 HydrophobicContact CD2-CD1 4.16Å; L21-I47 HydrophobicContact CD2-CG1 4.49Å; L21-I47 HydrophobicContact CG-CD1 4.48Å
22D94.7Very high95.2Very high81 Ų8168.2 Ų68.243%0.43335%0.354SS..  trans-67.8163.2173.365.3-59.6000111.4R12 L24 G25R12-D22 VanDerWaalsContact CD-O 3.31Å; R12-D22 WeakPolarHBondContact CD-O 3.3Å; R12-D22 IonicContact CZ-OD1 3.62Å; R12-D22 PolarHBondContact NE-O 2.79Å; R12-D22 IonicContact NE-OD1 3.86Å; R12-D22 IonicContact NH2-OD1 2.65Å; R12-D22 PolarHBondContact NH2-OD1 3.03Å; D22-L24 PolarHBondContact OD2-N 3.04Å; D22-G25 VanDerWaalsContact OD2-CA 3.24Å; D22-G25 WeakPolarHBondContact OD2-CA 3.26Å; D22-G25 PolarHBondContact OD2-N 2.94Å
23K94.2Very high95.2Very high175 Ų17569.2 Ų69.276%0.76136%0.364SS*.SBendtrans-76-35-175.8-64.9-176.9-177.7177.20113.2
24L94.3Very high95.3Very high168 Ų16868.7 Ų68.788%0.8837%0.367SS*.SBendtrans-100.3-5.2-167.1-61.2178.9000114.3D22 G26D22-L24 PolarHBondContact OD2-N 3.04Å; L24-G26 PolarHBondContact O-N 3.35Å
25G90.8Very high95.3Very high42 Ų4267.1 Ų67.143%0.43337%0.369SS..SBendtrans-72.327.1178.900000115.2R12 D22R12-G25 PolarHBondContact NH1-O 3.17Å; D22-G25 VanDerWaalsContact OD2-CA 3.24Å; D22-G25 WeakPolarHBondContact OD2-CA 3.26Å; D22-G25 PolarHBondContact OD2-N 2.94Å
26G93.3Very high95.3Very high36 Ų3668.3 Ų68.337%0.37138%0.376SS..  trans112.7169175.700000115.3R12 L24 F28R12-G26 WeakPolarHBondContact CD-O 3.43Å; L24-G26 PolarHBondContact O-N 3.35Å; G26-F28 PolarHBondContact O-N 3.17Å
27N95.8Very high95.3Very high125 Ų12568.9 Ų68.967%0.66838%0.378SS*.SBendtrans-75-23.9-174-67.4-21.5000114.2R12R12-N27 PolarHBondContact N-O 2.9Å
28F96.4Very high95.4Very high99 Ų9965 Ų6543%0.43436%0.361SS..EExtended strand (participates in β ladder)trans-119.2151.3-171.7-60.8-80000112.3H9 K11 R12 G26H9-F28 HydrophobicContact CB-CD1 4.42Å; H9-F28 HydrophobicContact CB-CE1 4.27Å; K11-F28 HydrophobicContact CD-CD1 4.12Å; K11-F28 HydrophobicContact CD-CE1 3.89Å; R12-F28 PolarHBondContact NH1-O 3.4Å; G26-F28 PolarHBondContact O-N 3.17Å
29A96.5Very high95.4Very high9 Ų965.8 Ų65.87%0.07437%0.367CS..EExtended strand (participates in β ladder)trans-110157.9168.800000109.3L10 R12 A15 L21 R31L10-A29 HydrophobicContact CD2-CB 4.18Å; L10-A29 HydrophobicContact CG-CB 4.29Å; L10-A29 PolarHBondContact O-N 2.88Å; R12-A29 HydrophobicContact CB-CB 4.44Å; R12-A29 HydrophobicContact CG-CB 4.44Å; A15-A29 HydrophobicContact CB-CB 3.64Å; L21-A29 HydrophobicContact CD1-CB 3.64Å; A29-R31 PolarHBondContact O-N 2.79Å; A29-R31 VanDerWaalsContact O-N 3.08Å
30P95.9Very high95.3Very high5 Ų572.7 Ų72.73%0.03239%0.392CS..PPolyproline II helixtrans-67.8116.4174.728.3-25.9000107.7W19 P32 P44 C46 I47 Y59 K82W19-P30 WeakPolarHBondContact CZ3-O 3.46Å; P30-P32 WeakPolarHBondContact O-CD 3.49Å; P30-P44 HydrophobicContact CG-CB 4.47Å; P30-P44 HydrophobicContact CG-CG 4.47Å; P30-C46 VanDerWaalsContact CB-SG 3.55Å; P30-I47 HydrophobicContact CG-CD1 3.53Å; P30-I47 HydrophobicContact CG-CG1 3.62Å; P30-Y59 HydrophobicContact CB-CE1 4.15Å; P30-Y59 WeakPolarHBondContact CB-OH 3.49Å; P30-Y59 WeakPolarHBondContact CD-OH 3.24Å; P30-Y59 WeakPolarHBondContact CG-OH 3.48Å; P30-K82 HydrophobicContact CB-CG 4.48Å
31R96.5Very high95.4Very high61 Ų6172.2 Ų72.223%0.2339%0.389CS..PPolyproline II helixtrans-73.1121.1169.1-172.7171.9176.479.9-5.1107.9R7 K8 L10 A29 L39 K82R7-R31 WeakPolarHBondContact O-CD 3.48Å; R7-R31 PolarHBondContact O-NE 2.79Å; R7-R31 PolarHBondContact O-NH2 2.82Å; K8-R31 WeakPolarHBondContact O-CD 3.41Å; L10-R31 HydrophobicContact CB-CB 3.79Å; L10-R31 HydrophobicContact CB-CG 4.21Å; A29-R31 PolarHBondContact O-N 2.79Å; A29-R31 VanDerWaalsContact O-N 3.08Å; R31-L39 HydrophobicContact CG-CD1 4.26Å; R31-L39 VanDerWaalsContact NH1-CD1 3.33Å; R31-K82 VanDerWaalsContact O-CD 3.29Å; R31-K82 WeakPolarHBondContact O-CD 3.34Å; R31-K82 WeakPolarHBondContact O-CG 3.5Å
32P97.5Very high95.4Very high12 Ų1270.7 Ų70.78%0.07838%0.381CS..PPolyproline II helixtrans-61.3142.9177.2-15.427.8000109.9W19 P30 L39 P44 K82 P84W19-P32 HydrophobicContact CH2-CG 3.5Å; W19-P32 HydrophobicContact CZ2-CG 3.73Å; P30-P32 WeakPolarHBondContact O-CD 3.49Å; P32-L39 HydrophobicContact CG-CG 3.97Å; P32-P44 HydrophobicContact CB-CG 4.14Å; P32-P44 HydrophobicContact CG-CG 3.77Å; P32-K82 WeakPolarHBondContact CA-O 3.15Å; P32-P84 HydrophobicContact CB-CB 4.1Å
33S96.3Very high95.5Very high41 Ų4166.8 Ų66.829%0.28736%0.361SS..PPolyproline II helixtrans-65.6159.6170.5-60.20000110.1G35 D80 K82 P84S33-G35 PolarHBondContact O-N 3.36Å; S33-D80 WeakPolarHBondContact CB-OD2 3.28Å; S33-D80 PolarHBondContact OG-OD2 3.16Å; S33-K82 PolarHBondContact N-O 3.15Å; S33-K82 WeakPolarHBondContact OG-CB 3.34Å; S33-P84 WeakPolarHBondContact O-CG 3.33Å
34T95.5Very high95.7Very high142 Ų14258.5 Ų58.587%0.87132%0.324SS*.SBendtrans-68.2128.6169.948.40000109.1
35G95.4Very high95.8Very high44 Ų4450.5 Ų50.545%0.45428%0.282SS..SBendtrans-170.7-157.4-174.800000112.1S33 H37S33-G35 PolarHBondContact O-N 3.36Å; G35-H37 VanDerWaalsContact C-N 3.27Å; G35-H37 PolarHBondContact O-N 3.1Å
36P96.4Very high96.1Very high36 Ų3648.5 Ų48.523%0.23426%0.262CS..SBendtrans-58-33.9-171.2-30.338.6000115.2Y83 D144P36-Y83 WeakPolarHBondContact CG-OH 3.45Å; P36-D144 HydrophobicContact CB-CB 4.38Å; P36-D144 WeakPolarHBondContact CB-O 3.3Å
37H97.2Very high96.2Very high16 Ų1646.8 Ų46.87%0.07424%0.244CC..SBendtrans-116.8147.3-171.6-62.6-80.5000112G35 C42 P84 G86 D89G35-H37 VanDerWaalsContact C-N 3.27Å; G35-H37 PolarHBondContact O-N 3.1Å; H37-C42 HydrophobicContact CB-CB 3.69Å; H37-P84 PolarHBondContact CD2-O 3.46Å; H37-G86 VanDerWaalsContact CD2-CA 3.42Å; H37-G86 WeakPolarHBondContact CD2-CA 3.33Å; H37-G86 PolarHBondContact CD2-N 2.98Å; H37-G86 VanDerWaalsContact CD2-N 3.27Å; H37-D89 IonicContact CD2-OD2 3.23Å; H37-D89 PolarHBondContact CD2-OD2 3.22Å; H37-D89 VanDerWaalsContact CD2-OD2 3.23Å; H37-D89 IonicContact CE1-OD1 2.97Å; H37-D89 VanDerWaalsContact NE2-CG 3.27Å; H37-D89 IonicContact NE2-OD1 3.87Å; H37-D89 PolarHBondContact NE2-OD1 3.46Å; H37-D89 IonicContact NE2-OD2 2.91Å; H37-D89 PolarHBondContact NE2-OD2 3.36Å
38K95.8Very high96.3Very high121 Ų12140.8 Ų40.853%0.52621%0.212SC..  trans-66.3151.6178.9-56.9-174.8-156.8145.70111R40 E41 C42K38-R40 PolarHBondContact O-N 3.41Å; K38-E41 HydrophobicContact CB-CB 4.22Å; K38-E41 HydrophobicContact CB-CG 4.32Å; K38-E41 WeakPolarHBondContact CD-OE2 3.33Å; K38-E41 WeakPolarHBondContact CE-OE2 3.45Å; K38-E41 IonicContact NZ-OE1 2.9Å; K38-E41 PolarHBondContact NZ-OE1 2.98Å; K38-E41 IonicContact NZ-OE2 3.4Å; K38-E41 PolarHBondContact NZ-OE2 3.16Å; K38-E41 CarbonylContact O-C 3.53Å; K38-E41 PolarHBondContact O-N 3.36Å; K38-C42 WeakPolarHBondContact O-CB 3.21Å; K38-C42 PolarHBondContact O-N 2.77Å; K38-C42 PolarHBondContact O-SG 2.78Å; K38-C42 VanDerWaalsContact O-SG 3.41Å
39L95.5Very high96.3Very high49 Ų4936.1 Ų36.126%0.25719%0.192SC..THydrogen-bonded Turntrans-51.1-37.7-177.6-178.2150.9000114.7P16 R31 P32 C42P16-L39 HydrophobicContact CG-CD2 4.45Å; R31-L39 HydrophobicContact CG-CD1 4.26Å; R31-L39 VanDerWaalsContact NH1-CD1 3.33Å; P32-L39 HydrophobicContact CG-CG 3.97Å; L39-C42 PolarHBondContact O-SG 3.46Å
40R95.1Very high96.2Very high144 Ų14437.6 Ų37.654%0.54320%0.195SC..THydrogen-bonded Turntrans-93.7-0.7-179.3-66.1-170.9174.4-86.1-1.9113.7N14 P16 H18 K38N14-R40 PolarHBondContact OD1-NH2 2.78Å; N14-R40 VanDerWaalsContact OD1-NH2 3.12Å; P16-R40 HydrophobicContact CG-CG 4.3Å; H18-R40 PolarHBondContact CE1-O 2.73Å; K38-R40 PolarHBondContact O-N 3.41Å
41E94.6Very high96.2Very high78 Ų7838.7 Ų38.736%0.36420%0.201SC..SBendtrans-119.916.4-178.8-62.2169-171.400110.7K38 F110K38-E41 HydrophobicContact CB-CB 4.22Å; K38-E41 HydrophobicContact CB-CG 4.32Å; K38-E41 WeakPolarHBondContact CD-OE2 3.33Å; K38-E41 WeakPolarHBondContact CE-OE2 3.45Å; K38-E41 IonicContact NZ-OE1 2.9Å; K38-E41 PolarHBondContact NZ-OE1 2.98Å; K38-E41 IonicContact NZ-OE2 3.4Å; K38-E41 PolarHBondContact NZ-OE2 3.16Å; K38-E41 CarbonylContact O-C 3.53Å; K38-E41 PolarHBondContact O-N 3.36Å; E41-F110 WeakPolarHBondContact O-CZ 3.38Å
42C96.5Very high96.1Very high0 Ų038.1 Ų38.10%020%0.199CC..EExtended strand (participates in β ladder)trans-130.5166-177.375.80000112.1W19 H37 K38 L39 P84 A85W19-C42 PolarHBondContact NE1-O 2.83Å; H37-C42 HydrophobicContact CB-CB 3.69Å; K38-C42 WeakPolarHBondContact O-CB 3.21Å; K38-C42 PolarHBondContact O-N 2.77Å; K38-C42 PolarHBondContact O-SG 2.78Å; K38-C42 VanDerWaalsContact O-SG 3.41Å; L39-C42 PolarHBondContact O-SG 3.46Å; C42-P84 HydrophobicContact CB-CB 3.75Å; C42-P84 VanDerWaalsContact SG-CB 3.57Å; C42-A85 CarbonylContact C-O 3.46Å; C42-A85 WeakPolarHBondContact CA-O 3.16Å; C42-A85 WeakPolarHBondContact CB-O 3.36Å
43L96.5Very high96Very high0 Ų038.8 Ų38.80%020%0.202CC..EExtended strand (participates in β ladder)trans-125.2109.9173.9-173.670.1000108.8W19 L45 I47 F48 A85 L102 F110W19-L43 HydrophobicContact CG-CD1 4.45Å; L43-L45 PolarHBondContact O-N 3.04Å; L43-I47 HydrophobicContact CD1-CB 4.13Å; L43-I47 HydrophobicContact CD1-CG2 3.66Å; L43-F48 HydrophobicContact CD2-CB 4.04Å; L43-F48 HydrophobicContact CD2-CD2 4.03Å; L43-F48 HydrophobicContact CG-CB 4.49Å; L43-A85 PolarHBondContact N-O 2.83Å; L43-A85 PolarHBondContact O-N 3.33Å; L43-L102 HydrophobicContact CB-CD1 4.39Å; L43-L102 HydrophobicContact CD2-CD2 3.98Å; L43-F110 HydrophobicContact CB-CD2 3.77Å; L43-F110 HydrophobicContact CB-CE2 4.08Å; L43-F110 HydrophobicContact CB-CG 4.24Å; L43-F110 HydrophobicContact CD1-CD2 4.37Å; L43-F110 HydrophobicContact CD2-CB 4.09Å; L43-F110 HydrophobicContact CD2-CG 4.46Å; L43-F110 HydrophobicContact CG-CD2 4.47Å
44P97.5Very high95.9Very high0 Ų043.7 Ų43.70%022%0.218CC..EExtended strand (participates in β ladder)trans-55137.9173.1-3036.8000113W19 P30 P32 C46 I47 F48 Y83W19-P44 HydrophobicContact CH2-CG 4.02Å; W19-P44 HydrophobicContact CZ2-CG 3.96Å; W19-P44 HydrophobicContact CZ3-CG 4.45Å; P30-P44 HydrophobicContact CG-CB 4.47Å; P30-P44 HydrophobicContact CG-CG 4.47Å; P32-P44 HydrophobicContact CB-CG 4.14Å; P32-P44 HydrophobicContact CG-CG 3.77Å; P44-C46 PolarHBondContact O-N 2.75Å; P44-I47 HydrophobicContact CB-CD1 4.43Å; P44-I47 HydrophobicContact CB-CG1 4.28Å; P44-I47 HydrophobicContact CG-CD1 4.17Å; P44-I47 WeakPolarHBondContact O-CB 3.44Å; P44-I47 PolarHBondContact O-N 3.05Å; P44-F48 PolarHBondContact O-N 2.85Å; P44-F48 VanDerWaalsContact O-N 3.08Å; P44-Y83 WeakPolarHBondContact CA-O 3.15Å
45L97Very high95.9Very high0 Ų041.3 Ų41.30%019%0.194CC..Hα-helixtrans-54.8-36.6178.7-73.7-177.1000113.6L43 I47 F48 L49 L66 V73 R78 Y83 A85 I91L43-L45 PolarHBondContact O-N 3.04Å; L45-I47 VanDerWaalsContact C-N 3.3Å; L45-I47 PolarHBondContact O-N 3.04Å; L45-F48 WeakPolarHBondContact O-CB 3.38Å; L45-F48 PolarHBondContact O-N 2.91Å; L45-L49 WeakPolarHBondContact O-CG 3.42Å; L45-L49 PolarHBondContact O-N 3.4Å; L45-L66 HydrophobicContact CD1-CD2 4.25Å; L45-V73 HydrophobicContact CD1-CG2 4.05Å; L45-V73 HydrophobicContact CD2-CG2 3.89Å; L45-V73 HydrophobicContact CG-CG2 4.49Å; L45-R78 HydrophobicContact CD1-CB 3.82Å; L45-Y83 HydrophobicContact CD1-CD1 4.16Å; L45-Y83 HydrophobicContact CD1-CG 4.3Å; L45-Y83 HydrophobicContact CG-CD1 4.28Å; L45-Y83 PolarHBondContact N-O 3.08Å; L45-A85 HydrophobicContact CD2-CB 4.17Å; L45-I91 HydrophobicContact CD2-CD1 4.04Å
46C96.6Very high95.9Very high0 Ų039.3 Ų39.30%017%0.173CC..Hα-helixtrans-61.6-34.9174.757.10000113.5P30 P44 R50 Y59 C62 K81P30-C46 VanDerWaalsContact CB-SG 3.55Å; P44-C46 PolarHBondContact O-N 2.75Å; C46-R50 WeakPolarHBondContact O-CB 3.25Å; C46-R50 PolarHBondContact O-N 3.12Å; C46-R50 VanDerWaalsContact O-N 3.08Å; C46-Y59 HydrophobicContact CB-CD1 4.22Å; C46-Y59 HydrophobicContact CB-CE1 3.91Å; C46-C62 HydrophobicContact CB-CB 4.44Å; C46-K81 HydrophobicContact CB-CB 4.25Å; C46-K81 VanDerWaalsContact CB-O 3.24Å; C46-K81 WeakPolarHBondContact CB-O 3.41Å; C46-K81 PolarHBondContact N-O 3.33Å; C46-K81 PolarHBondContact SG-O 3.19Å
47I96.5Very high95.9Very high0 Ų044.2 Ų44.20%020%0.197CC..Hα-helixtrans-73.4-39.8175.5-63.6-176.8000109.6W19 L21 P30 L43 P44 L45 N51 R52W19-I47 HydrophobicContact CB-CD1 4.06Å; W19-I47 HydrophobicContact CD2-CD1 3.57Å; W19-I47 HydrophobicContact CE3-CD1 3.35Å; W19-I47 HydrophobicContact CG-CD1 3.88Å; W19-I47 HydrophobicContact CZ3-CD1 4.06Å; L21-I47 HydrophobicContact CD1-CD1 4.29Å; L21-I47 HydrophobicContact CD2-CD1 4.16Å; L21-I47 HydrophobicContact CD2-CG1 4.49Å; L21-I47 HydrophobicContact CG-CD1 4.48Å; P30-I47 HydrophobicContact CG-CD1 3.53Å; P30-I47 HydrophobicContact CG-CG1 3.62Å; L43-I47 HydrophobicContact CD1-CB 4.13Å; L43-I47 HydrophobicContact CD1-CG2 3.66Å; P44-I47 HydrophobicContact CB-CD1 4.43Å; P44-I47 HydrophobicContact CB-CG1 4.28Å; P44-I47 HydrophobicContact CG-CD1 4.17Å; P44-I47 WeakPolarHBondContact O-CB 3.44Å; P44-I47 PolarHBondContact O-N 3.05Å; L45-I47 VanDerWaalsContact C-N 3.3Å; L45-I47 PolarHBondContact O-N 3.04Å; I47-N51 HydrophobicContact CG2-CB 4Å; I47-N51 WeakPolarHBondContact O-CA 3.43Å; I47-N51 VanDerWaalsContact O-CB 3.31Å; I47-N51 WeakPolarHBondContact O-CB 3.49Å; I47-N51 PolarHBondContact O-N 3.32Å; I47-R52 PolarHBondContact O-N 3.2Å
48F96.5Very high95.7Very high0 Ų046.1 Ų46.10%021%0.209CC..Iπ-helixtrans-58.5-54175.6178-96.7000111.7L43 P44 L45 R52 L53 I91 F100 L102 I112L43-F48 HydrophobicContact CD2-CB 4.04Å; L43-F48 HydrophobicContact CD2-CD2 4.03Å; L43-F48 HydrophobicContact CG-CB 4.49Å; P44-F48 PolarHBondContact O-N 2.85Å; P44-F48 VanDerWaalsContact O-N 3.08Å; L45-F48 WeakPolarHBondContact O-CB 3.38Å; L45-F48 PolarHBondContact O-N 2.91Å; F48-R52 WeakPolarHBondContact O-CB 3.25Å; F48-R52 PolarHBondContact O-N 3.2Å; F48-L53 HydrophobicContact CD1-CD1 3.99Å; F48-L53 HydrophobicContact CE1-CD1 3.3Å; F48-L53 HydrophobicContact CE1-CG 4.07Å; F48-L53 HydrophobicContact CZ-CD1 3.63Å; F48-L53 HydrophobicContact CZ-CG 4.12Å; F48-L53 PolarHBondContact O-N 2.9Å; F48-I91 HydrophobicContact CD1-CD1 3.97Å; F48-I91 HydrophobicContact CD1-CG2 4.4Å; F48-I91 HydrophobicContact CD2-CD1 3.85Å; F48-I91 HydrophobicContact CE1-CB 4.27Å; F48-I91 HydrophobicContact CE1-CD1 3.87Å; F48-I91 HydrophobicContact CE1-CG2 3.68Å; F48-I91 HydrophobicContact CE2-CD1 3.73Å; F48-I91 HydrophobicContact CG-CD1 3.97Å; F48-I91 HydrophobicContact CZ-CB 4.12Å; F48-I91 HydrophobicContact CZ-CD1 3.75Å; F48-I91 HydrophobicContact CZ-CG2 4.03Å; F48-F100 HydrophobicContact CE2-CB 4.47Å; F48-F100 HydrophobicContact CZ-CB 4.04Å; F48-F100 AromaticContact CZ-CD2 3.9Å; F48-F100 HydrophobicContact CZ-CD2 3.9Å; F48-F100 HydrophobicContact CZ-CG 4.02Å; F48-L102 HydrophobicContact CD2-CD2 3.88Å; F48-L102 HydrophobicContact CE2-CD2 3.88Å; F48-I112 HydrophobicContact CD2-CD1 3.49Å; F48-I112 VanDerWaalsContact CD2-CD1 3.49Å; F48-I112 HydrophobicContact CD2-CG1 4Å; F48-I112 HydrophobicContact CE2-CB 4.43Å; F48-I112 HydrophobicContact CE2-CD1 3.29Å; F48-I112 HydrophobicContact CE2-CG1 3.66Å; F48-I112 HydrophobicContact CE2-CG2 4.01Å; F48-I112 HydrophobicContact CG-CD1 4.45Å; F48-I112 HydrophobicContact CZ-CD1 4.11Å; F48-I112 HydrophobicContact CZ-CG2 4.37Å
49L96.3Very high95.6Very high1 Ų143.8 Ų43.81%0.00520%0.197CC..Iπ-helixtrans-66.2-48.3-178.6-67.2173.5000112.9L45 K54 Y55 I65 L66 V71 I93L45-L49 WeakPolarHBondContact O-CG 3.42Å; L45-L49 PolarHBondContact O-N 3.4Å; L49-K54 PolarHBondContact O-N 3.34Å; L49-Y55 PolarHBondContact O-N 2.92Å; L49-I65 HydrophobicContact CD1-CG2 4.3Å; L49-L66 HydrophobicContact CD1-CD1 4.33Å; L49-L66 HydrophobicContact CD1-CD2 3.93Å; L49-L66 HydrophobicContact CD1-CG 3.98Å; L49-V71 HydrophobicContact CD1-CG2 4.5Å; L49-V71 HydrophobicContact CD2-CG2 4.32Å; L49-I93 HydrophobicContact CD2-CD1 4.47Å
50R95.5Very high95.6Very high39 Ų3945.9 Ų45.915%0.14721%0.213CC..Iπ-helixtrans-83.1-52.4-173.4-173.8-174.565.7162.80.6113.6C46 K54 A56 L57 Y59C46-R50 WeakPolarHBondContact O-CB 3.25Å; C46-R50 PolarHBondContact O-N 3.12Å; C46-R50 VanDerWaalsContact O-N 3.08Å; R50-K54 VanDerWaalsContact O-CD 3.29Å; R50-K54 WeakPolarHBondContact O-CD 3.49Å; R50-A56 WeakPolarHBondContact CA-O 3.43Å; R50-A56 HydrophobicContact CB-CB 4.38Å; R50-A56 VanDerWaalsContact CG-O 3.25Å; R50-A56 WeakPolarHBondContact CG-O 3.46Å; R50-L57 VanDerWaalsContact CD-O 3.27Å; R50-L57 WeakPolarHBondContact CD-O 3.44Å; R50-Y59 VanDerWaalsContact NH1-CE2 3.25Å
51N95.1Very high95.7Very high29 Ų2942 Ų4216%0.15520%0.201CC..Iπ-helixtrans-85.4-32.7-168.8-73.774.2000112.2I47 K54I47-N51 HydrophobicContact CG2-CB 4Å; I47-N51 WeakPolarHBondContact O-CA 3.43Å; I47-N51 VanDerWaalsContact O-CB 3.31Å; I47-N51 WeakPolarHBondContact O-CB 3.49Å; I47-N51 PolarHBondContact O-N 3.32Å; N51-K54 WeakPolarHBondContact O-CE 3.35Å; N51-K54 PolarHBondContact O-NZ 2.96Å; N51-K54 VanDerWaalsContact O-NZ 3.12Å
52R94.6Very high95.8Very high48 Ų4838.3 Ų38.318%0.18118%0.183CC..Iπ-helixtrans-99-55.3-175.4-61.9-77.6-176-85.3-4.3113.1H18 W19 M20 I47 F48 I112H18-R52 PolarHBondContact O-NH2 3.23Å; W19-R52 PolarHBondContact O-NH1 3.45Å; W19-R52 VanDerWaalsContact O-NH1 3.08Å; W19-R52 PolarHBondContact O-NH2 2.98Å; M20-R52 VanDerWaalsContact CE-NH2 3.32Å; I47-R52 PolarHBondContact O-N 3.2Å; F48-R52 WeakPolarHBondContact O-CB 3.25Å; F48-R52 PolarHBondContact O-N 3.2Å; R52-I112 HydrophobicContact CB-CD1 3.22Å; R52-I112 HydrophobicContact CB-CG1 4.24Å; R52-I112 HydrophobicContact CG-CD1 4Å
53L95.3Very high95.8Very high27 Ų2741 Ų4114%0.14120%0.2CC..SBendtrans-80.7-21.2179.2-69.9-175.9000114F48 Y55 I93 F100 I112F48-L53 HydrophobicContact CD1-CD1 3.99Å; F48-L53 HydrophobicContact CE1-CD1 3.3Å; F48-L53 HydrophobicContact CE1-CG 4.07Å; F48-L53 HydrophobicContact CZ-CD1 3.63Å; F48-L53 HydrophobicContact CZ-CG 4.12Å; F48-L53 PolarHBondContact O-N 2.9Å; L53-Y55 HydrophobicContact CB-CD1 4.26Å; L53-Y55 HydrophobicContact CB-CD2 4.11Å; L53-Y55 HydrophobicContact CB-CE1 4.45Å; L53-Y55 HydrophobicContact CB-CE2 4.33Å; L53-Y55 HydrophobicContact CB-CG 4.07Å; L53-Y55 HydrophobicContact CD1-CD2 3.95Å; L53-Y55 HydrophobicContact CD1-CE2 3.81Å; L53-Y55 WeakPolarHBondContact O-CD1 3.35Å; L53-Y55 PolarHBondContact O-N 3.46Å; L53-I93 HydrophobicContact CD1-CD1 3.88Å; L53-F100 HydrophobicContact CD1-CE2 4Å; L53-F100 HydrophobicContact CD1-CZ 4.22Å; L53-F100 HydrophobicContact CD2-CE1 3.97Å; L53-F100 HydrophobicContact CD2-CE2 4.36Å; L53-F100 HydrophobicContact CD2-CZ 3.78Å; L53-I112 HydrophobicContact CD2-CD1 3.9Å; L53-I112 HydrophobicContact CD2-CG2 4.09Å; L53-I112 HydrophobicContact CG-CD1 4Å
54K95.3Very high95.8Very high144 Ų14448 Ų4863%0.62623%0.231SC*.  trans62.522.8-177.3-50.4-57.1-164.5-179.70114.4L49 R50 N51 A56L49-K54 PolarHBondContact O-N 3.34Å; R50-K54 VanDerWaalsContact O-CD 3.29Å; R50-K54 WeakPolarHBondContact O-CD 3.49Å; N51-K54 WeakPolarHBondContact O-CE 3.35Å; N51-K54 PolarHBondContact O-NZ 2.96Å; N51-K54 VanDerWaalsContact O-NZ 3.12Å; K54-A56 VanDerWaalsContact C-N 3.3Å
55Y95.1Very high95.7Very high91 Ų9149.9 Ų49.936%0.35724%0.24SC..SBendtrans-76.7-18.1176.7-68.6-10.1000113.7L49 L53 I93 E98L49-Y55 PolarHBondContact O-N 2.92Å; L53-Y55 HydrophobicContact CB-CD1 4.26Å; L53-Y55 HydrophobicContact CB-CD2 4.11Å; L53-Y55 HydrophobicContact CB-CE1 4.45Å; L53-Y55 HydrophobicContact CB-CE2 4.33Å; L53-Y55 HydrophobicContact CB-CG 4.07Å; L53-Y55 HydrophobicContact CD1-CD2 3.95Å; L53-Y55 HydrophobicContact CD1-CE2 3.81Å; L53-Y55 WeakPolarHBondContact O-CD1 3.35Å; L53-Y55 PolarHBondContact O-N 3.46Å; Y55-I93 HydrophobicContact CD2-CD1 4Å; Y55-I93 HydrophobicContact CE2-CD1 3.68Å; Y55-E98 PolarHBondContact OH-OE1 3.39Å; Y55-E98 PolarHBondContact OH-OE2 3.38Å
56A95.7Very high95.7Very high2 Ų249.9 Ų49.92%0.01724%0.24CC..  trans-126.1147.9170.800000109R50 K54 E61 C62 I65R50-A56 WeakPolarHBondContact CA-O 3.43Å; R50-A56 HydrophobicContact CB-CB 4.38Å; R50-A56 VanDerWaalsContact CG-O 3.25Å; R50-A56 WeakPolarHBondContact CG-O 3.46Å; K54-A56 VanDerWaalsContact C-N 3.3Å; A56-E61 HydrophobicContact CB-CB 3.84Å; A56-C62 WeakPolarHBondContact CB-SG 3.22Å; A56-I65 HydrophobicContact CB-CD1 4.06Å
57L95.4Very high95.7Very high140 Ų14053.3 Ų53.373%0.73327%0.269SS*.SBendtrans-92.9-39.8170.3-57.9177.2000110.2R50 E61R50-L57 VanDerWaalsContact CD-O 3.27Å; R50-L57 WeakPolarHBondContact CD-O 3.44Å; L57-E61 WeakPolarHBondContact CB-OE2 3.42Å; L57-E61 PolarHBondContact N-OE2 3.13Å
58T94.5Very high95.7Very high55 Ų5559.3 Ų59.334%0.33730%0.296SS..SBendtrans-118.2165-172.163.50000113.4T60 E61 C62T58-T60 VanDerWaalsContact C-N 3.28Å; T58-T60 PolarHBondContact O-N 3.08Å; T58-T60 PolarHBondContact OG1-OG1 3.46Å; T58-E61 WeakPolarHBondContact OG1-CG 3.24Å; T58-E61 PolarHBondContact OG1-N 2.95Å; T58-E61 PolarHBondContact OG1-OE1 3.3Å; T58-C62 PolarHBondContact O-N 2.89Å
59Y93.2Very high95.7Very high72 Ų7267.3 Ų67.328%0.28233%0.327SS..Hα-helixtrans-67.1-29.6174.1-91.7-78.7000113.1P30 C46 R50 T63P30-Y59 HydrophobicContact CB-CE1 4.15Å; P30-Y59 WeakPolarHBondContact CB-OH 3.49Å; P30-Y59 WeakPolarHBondContact CD-OH 3.24Å; P30-Y59 WeakPolarHBondContact CG-OH 3.48Å; C46-Y59 HydrophobicContact CB-CD1 4.22Å; C46-Y59 HydrophobicContact CB-CE1 3.91Å; R50-Y59 VanDerWaalsContact NH1-CE2 3.25Å; Y59-T63 PolarHBondContact O-N 3.49Å; Y59-T63 VanDerWaalsContact O-N 3.17Å; Y59-T63 PolarHBondContact O-OG1 2.9Å
60T95.9Very high95.6Very high94 Ų9469.2 Ų69.258%0.57734%0.336SS*.Hα-helixtrans-69.1-44.1177.845.80000109.9T58 C62 T63 K64T58-T60 VanDerWaalsContact C-N 3.28Å; T58-T60 PolarHBondContact O-N 3.08Å; T58-T60 PolarHBondContact OG1-OG1 3.46Å; T60-C62 PolarHBondContact O-N 3.37Å; T60-T63 WeakPolarHBondContact O-CA 3.48Å; T60-T63 VanDerWaalsContact O-CB 3.3Å; T60-T63 WeakPolarHBondContact O-CB 3.37Å; T60-T63 PolarHBondContact O-N 3.08Å; T60-K64 PolarHBondContact O-N 3.35Å
61E96.6Very high95.7Very high62 Ų6267.4 Ų67.429%0.2933%0.33SS..Hα-helixtrans-60-44.7172.4-75.2158.3-126.500112.8A56 L57 T58 T63 K64 I65A56-E61 HydrophobicContact CB-CB 3.84Å; L57-E61 WeakPolarHBondContact CB-OE2 3.42Å; L57-E61 PolarHBondContact N-OE2 3.13Å; T58-E61 WeakPolarHBondContact OG1-CG 3.24Å; T58-E61 PolarHBondContact OG1-N 2.95Å; T58-E61 PolarHBondContact OG1-OE1 3.3Å; E61-T63 PolarHBondContact O-N 3.32Å; E61-K64 WeakPolarHBondContact O-CB 3.37Å; E61-K64 PolarHBondContact O-N 3.02Å; E61-I65 WeakPolarHBondContact O-CG1 3.34Å; E61-I65 PolarHBondContact O-N 2.85Å
62C96.1Very high95.8Very high0 Ų068.6 Ų68.60%033%0.333CS..Hα-helixtrans-54.2-39.8172.4-74.90000112C46 A56 T58 T60 L66C46-C62 HydrophobicContact CB-CB 4.44Å; A56-C62 WeakPolarHBondContact CB-SG 3.22Å; T58-C62 PolarHBondContact O-N 2.89Å; T60-C62 PolarHBondContact O-N 3.37Å; C62-L66 WeakPolarHBondContact O-CB 3.48Å; C62-L66 WeakPolarHBondContact O-CD1 3.46Å; C62-L66 VanDerWaalsContact O-CG 3.24Å; C62-L66 WeakPolarHBondContact O-CG 3.33Å; C62-L66 PolarHBondContact O-N 3.14Å; C62-L66 VanDerWaalsContact O-N 3.13Å
63T96.3Very high96Very high58 Ų5866.3 Ų66.336%0.35633%0.325SS..Hα-helixtrans-66.4-42.8177.9-51.60000110.9Y59 T60 E61 L66 A67 K81Y59-T63 PolarHBondContact O-N 3.49Å; Y59-T63 VanDerWaalsContact O-N 3.17Å; Y59-T63 PolarHBondContact O-OG1 2.9Å; T60-T63 WeakPolarHBondContact O-CA 3.48Å; T60-T63 VanDerWaalsContact O-CB 3.3Å; T60-T63 WeakPolarHBondContact O-CB 3.37Å; T60-T63 PolarHBondContact O-N 3.08Å; E61-T63 PolarHBondContact O-N 3.32Å; T63-L66 PolarHBondContact O-N 2.93Å; T63-A67 VanDerWaalsContact O-CB 3.31Å; T63-A67 WeakPolarHBondContact O-CB 3.44Å; T63-A67 PolarHBondContact O-N 2.9Å; T63-K81 WeakPolarHBondContact OG1-CD 3.4Å
64K96.9Very high96Very high147 Ų14765.3 Ų65.364%0.63932%0.32SS*.Hα-helixtrans-61.8-46.3177.1-68-179.6179.4-176.40112.1T60 E61 L66 A67 Q68T60-K64 PolarHBondContact O-N 3.35Å; E61-K64 WeakPolarHBondContact O-CB 3.37Å; E61-K64 PolarHBondContact O-N 3.02Å; K64-L66 VanDerWaalsContact C-N 3.34Å; K64-L66 PolarHBondContact O-N 2.93Å; K64-A67 PolarHBondContact O-N 3.26Å; K64-Q68 WeakPolarHBondContact O-CG 3.49Å; K64-Q68 PolarHBondContact O-N 2.75Å
65I96Very high96Very high38 Ų3860.6 Ų60.620%0.19531%0.312CS..Hα-helixtrans-59.5-45.8177.8-65.9169.3000110.8L49 A56 E61 Q68 V71L49-I65 HydrophobicContact CD1-CG2 4.3Å; A56-I65 HydrophobicContact CB-CD1 4.06Å; E61-I65 WeakPolarHBondContact O-CG1 3.34Å; E61-I65 PolarHBondContact O-N 2.85Å; I65-Q68 PolarHBondContact O-N 3.44Å; I65-V71 HydrophobicContact CG2-CG2 4.2Å
66L96.6Very high96.1Very high1 Ų164.1 Ų64.11%0.00533%0.325CS..Hα-helixtrans-71.4-31.2-179-67.6170.7000112.6L45 L49 C62 T63 K64 Q68 R69 V71 R78 K81L45-L66 HydrophobicContact CD1-CD2 4.25Å; L49-L66 HydrophobicContact CD1-CD1 4.33Å; L49-L66 HydrophobicContact CD1-CD2 3.93Å; L49-L66 HydrophobicContact CD1-CG 3.98Å; C62-L66 WeakPolarHBondContact O-CB 3.48Å; C62-L66 WeakPolarHBondContact O-CD1 3.46Å; C62-L66 VanDerWaalsContact O-CG 3.24Å; C62-L66 WeakPolarHBondContact O-CG 3.33Å; C62-L66 PolarHBondContact O-N 3.14Å; C62-L66 VanDerWaalsContact O-N 3.13Å; T63-L66 PolarHBondContact O-N 2.93Å; K64-L66 VanDerWaalsContact C-N 3.34Å; K64-L66 PolarHBondContact O-N 2.93Å; L66-Q68 VanDerWaalsContact C-N 3.26Å; L66-Q68 PolarHBondContact O-N 2.89Å; L66-R69 PolarHBondContact O-N 3.02Å; L66-R69 VanDerWaalsContact O-N 3.1Å; L66-V71 HydrophobicContact CD2-CB 3.85Å; L66-V71 HydrophobicContact CD2-CG1 4.33Å; L66-V71 HydrophobicContact CD2-CG2 3.93Å; L66-R78 WeakPolarHBondContact CD2-O 3.36Å; L66-K81 HydrophobicContact CD1-CB 3.69Å
67A96.6Very high96.2Very high72 Ų7266.8 Ų66.860%0.59534%0.341SS*.Hα-helixtrans-65.3-30174.900000112.5T63 K64 R69T63-A67 VanDerWaalsContact O-CB 3.31Å; T63-A67 WeakPolarHBondContact O-CB 3.44Å; T63-A67 PolarHBondContact O-N 2.9Å; K64-A67 PolarHBondContact O-N 3.26Å; A67-R69 PolarHBondContact O-N 3.39Å
68Q96.1Very high96.2Very high125 Ų12563.5 Ų63.558%0.58432%0.319SS*.THydrogen-bonded Turntrans-71.7-1.3173.2-67.2174.5-1600113.7K64 I65 L66 L70K64-Q68 WeakPolarHBondContact O-CG 3.49Å; K64-Q68 PolarHBondContact O-N 2.75Å; I65-Q68 PolarHBondContact O-N 3.44Å; L66-Q68 VanDerWaalsContact C-N 3.26Å; L66-Q68 PolarHBondContact O-N 2.89Å; Q68-L70 HydrophobicContact CB-CD1 3.97Å; Q68-L70 HydrophobicContact CB-CG 3.81Å; Q68-L70 PolarHBondContact O-N 3.19Å; Q68-L70 VanDerWaalsContact O-N 3.14Å
69R96.4Very high96.3Very high169 Ų16965 Ų6564%0.63833%0.327SS*.THydrogen-bonded Turntrans61.220176.5-64.4-174.3164.9-173.8-3115.3L66 A67 V71 V77 T79L66-R69 PolarHBondContact O-N 3.02Å; L66-R69 VanDerWaalsContact O-N 3.1Å; A67-R69 PolarHBondContact O-N 3.39Å; R69-V71 PolarHBondContact O-N 2.92Å; R69-V77 HydrophobicContact CB-CG1 3.62Å; R69-V77 HydrophobicContact CG-CG1 3.79Å; R69-T79 HydrophobicContact CG-CG2 4.23Å
70L95.2Very high96.5Very high40 Ų4064.2 Ų64.221%0.20933%0.328CS..  trans-77.6-18-176.5-58.7176.8000114.5Q68 E94 K95Q68-L70 HydrophobicContact CB-CD1 3.97Å; Q68-L70 HydrophobicContact CB-CG 3.81Å; Q68-L70 PolarHBondContact O-N 3.19Å; Q68-L70 VanDerWaalsContact O-N 3.14Å; L70-E94 PolarHBondContact O-N 2.99Å; L70-K95 HydrophobicContact CD1-CD 4.36Å
71V96.9Very high96.5Very high1 Ų163.3 Ų63.31%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-103.7119.4-175.4-175.70000109.8L49 I65 L66 R69 R78 I91L49-V71 HydrophobicContact CD1-CG2 4.5Å; L49-V71 HydrophobicContact CD2-CG2 4.32Å; I65-V71 HydrophobicContact CG2-CG2 4.2Å; L66-V71 HydrophobicContact CD2-CB 3.85Å; L66-V71 HydrophobicContact CD2-CG1 4.33Å; L66-V71 HydrophobicContact CD2-CG2 3.93Å; R69-V71 PolarHBondContact O-N 2.92Å; V71-R78 PolarHBondContact O-N 2.83Å; V71-R78 VanDerWaalsContact O-N 3.14Å; V71-I91 HydrophobicContact CG1-CG2 3.88Å
72K97.6Very high96.5Very high54 Ų5463.9 Ų63.924%0.23532%0.318CS..EExtended strand (participates in β ladder)trans-109.4135.2175.2-67.3178.9173.3179.90109.8R76 V77 I91 T92 E94K72-R76 CarbonylContact C-O 3.45Å; K72-R76 VanDerWaalsContact CA-O 3.29Å; K72-R76 WeakPolarHBondContact CA-O 3.29Å; K72-V77 HydrophobicContact CD-CG2 4.41Å; K72-V77 HydrophobicContact CG-CG2 3.91Å; K72-I91 CarbonylContact O-C 3.49Å; K72-I91 WeakPolarHBondContact O-CA 3.35Å; K72-T92 PolarHBondContact N-O 2.8Å; K72-T92 PolarHBondContact O-N 2.82Å; K72-E94 HydrophobicContact CD-CG 4.4Å; K72-E94 WeakPolarHBondContact CD-OE1 3.33Å; K72-E94 WeakPolarHBondContact CE-OE1 3.41Å; K72-E94 IonicContact NZ-OE1 3.99Å; K72-E94 PolarHBondContact NZ-OE1 3.49Å; K72-E94 IonicContact NZ-OE2 3.43Å
73V97.5Very high96.6Very high0 Ų064.5 Ų64.50%032%0.32CS..EExtended strand (participates in β ladder)trans-114.5122.4169-171.80000108L45 G75 R76 R78 Y83 A85 D89 V90 I91L45-V73 HydrophobicContact CD1-CG2 4.05Å; L45-V73 HydrophobicContact CD2-CG2 3.89Å; L45-V73 HydrophobicContact CG-CG2 4.49Å; V73-G75 VanDerWaalsContact C-N 3.29Å; V73-G75 PolarHBondContact O-N 3.44Å; V73-R76 PolarHBondContact N-O 2.77Å; V73-R76 PolarHBondContact O-N 2.84Å; V73-R76 VanDerWaalsContact O-N 3.12Å; V73-R78 HydrophobicContact CB-CG 3.81Å; V73-R78 HydrophobicContact CG2-CB 4.19Å; V73-R78 HydrophobicContact CG2-CG 3.74Å; V73-Y83 HydrophobicContact CB-CE1 4.09Å; V73-Y83 HydrophobicContact CG1-CE1 3.93Å; V73-Y83 HydrophobicContact CG2-CD1 4.23Å; V73-Y83 HydrophobicContact CG2-CE1 4.2Å; V73-A85 HydrophobicContact CG1-CB 4.49Å; V73-D89 HydrophobicContact CG1-CB 4.08Å; V73-V90 CarbonylContact C-O 3.53Å; V73-V90 WeakPolarHBondContact CA-O 3.5Å; V73-I91 HydrophobicContact CG2-CG1 4.33Å
74D97.1Very high96.7Very high6 Ų661.8 Ų61.83%0.03230%0.303CS..THydrogen-bonded Turntrans46.453-170.3-56.8-26.4000111.9R76 D89 V90 K123 R146 I165D74-R76 PolarHBondContact O-N 3Å; D74-D89 WeakPolarHBondContact OD1-CA 3.46Å; D74-V90 PolarHBondContact N-O 2.83Å; D74-V90 PolarHBondContact OD1-N 3.46Å; D74-K123 WeakPolarHBondContact OD1-CD 3.25Å; D74-K123 IonicContact OD1-NZ 3.89Å; D74-K123 WeakPolarHBondContact OD2-CE 3.4Å; D74-K123 IonicContact OD2-NZ 3.47Å; D74-K123 PolarHBondContact OD2-NZ 2.95Å; D74-R146 IonicContact OD2-CZ 2.57Å; D74-R146 IonicContact OD2-NH2 2.72Å; D74-R146 PolarHBondContact OD2-NH2 3.19Å; D74-I165 HydrophobicContact CB-CG2 4.14Å; D74-I165 VanDerWaalsContact O-CG2 3.24Å; D74-I165 WeakPolarHBondContact O-CG2 3.37Å
75G95.2Very high96.7Very high45 Ų4554.8 Ų54.846%0.46427%0.273SS..THydrogen-bonded Turntrans72.5-10.3177.600000115.5V73V73-G75 VanDerWaalsContact C-N 3.29Å; V73-G75 PolarHBondContact O-N 3.44Å
76R96.3Very high96.7Very high165 Ų16553 Ų5362%0.62326%0.264SS*.EExtended strand (participates in β ladder)trans-100.1132.6179.3-63.1-173.8-178.3-172.40.7111.2K72 V73 D74 R78K72-R76 CarbonylContact C-O 3.45Å; K72-R76 VanDerWaalsContact CA-O 3.29Å; K72-R76 WeakPolarHBondContact CA-O 3.29Å; V73-R76 PolarHBondContact N-O 2.77Å; V73-R76 PolarHBondContact O-N 2.84Å; V73-R76 VanDerWaalsContact O-N 3.12Å; D74-R76 PolarHBondContact O-N 3Å; R76-R78 PolarHBondContact O-N 2.74Å
77V97.4Very high96.8Very high58 Ų5853.2 Ų53.235%0.35227%0.265SS..EExtended strand (participates in β ladder)trans-60.3128.4173.9177.40000109.6R69 K72 T79R69-V77 HydrophobicContact CB-CG1 3.62Å; R69-V77 HydrophobicContact CG-CG1 3.79Å; K72-V77 HydrophobicContact CD-CG2 4.41Å; K72-V77 HydrophobicContact CG-CG2 3.91Å; V77-T79 HydrophobicContact CG1-CG2 4.35Å
78R96.7Very high96.8Very high72 Ų7249.8 Ų49.827%0.27224%0.236SC..  trans-119.2117.1175.3-62.6-58.3-178.9164.80.3109.6L45 L66 V71 V73 R76 Y83L45-R78 HydrophobicContact CD1-CB 3.82Å; L66-R78 WeakPolarHBondContact CD2-O 3.36Å; V71-R78 PolarHBondContact O-N 2.83Å; V71-R78 VanDerWaalsContact O-N 3.14Å; V73-R78 HydrophobicContact CB-CG 3.81Å; V73-R78 HydrophobicContact CG2-CB 4.19Å; V73-R78 HydrophobicContact CG2-CG 3.74Å; R76-R78 PolarHBondContact O-N 2.74Å; R78-Y83 HydrophobicContact CB-CG 4.43Å; R78-Y83 HydrophobicContact CG-CD1 4.18Å; R78-Y83 HydrophobicContact CG-CD2 4.33Å; R78-Y83 HydrophobicContact CG-CE1 4.17Å; R78-Y83 HydrophobicContact CG-CE2 4.34Å; R78-Y83 HydrophobicContact CG-CG 4.25Å; R78-Y83 VanDerWaalsContact CZ-CE2 3.44Å; R78-Y83 VanDerWaalsContact CZ-OH 3.3Å; R78-Y83 PolarHBondContact NE-OH 2.62Å; R78-Y83 PolarHBondContact NH2-OH 2.98Å; R78-Y83 VanDerWaalsContact NH2-OH 3.12Å
79T96.3Very high96.8Very high85 Ų8543.9 Ų43.952%0.52121%0.209SC..  trans-94.8-15.7178.653.90000112.9R69 V77 K81R69-T79 HydrophobicContact CG-CG2 4.23Å; V77-T79 HydrophobicContact CG1-CG2 4.35Å; T79-K81 PolarHBondContact O-N 2.76Å
80D96.5Very high96.9Very high57 Ų5735.9 Ų35.931%0.30518%0.179SC..  trans-76.3115.8179.7177.319.7000111.8S33 K82 Y83S33-D80 WeakPolarHBondContact CB-OD2 3.28Å; S33-D80 PolarHBondContact OG-OD2 3.16Å; D80-K82 PolarHBondContact O-N 2.71Å; D80-K82 PolarHBondContact OD1-N 3.48Å; D80-Y83 VanDerWaalsContact O-CB 3.22Å; D80-Y83 WeakPolarHBondContact O-CB 3.14Å; D80-Y83 PolarHBondContact O-N 3.04Å; D80-Y83 VanDerWaalsContact O-N 3.07Å; D80-Y83 PolarHBondContact OD2-N 2.99Å
81K96.5Very high97Very high74 Ų7434 Ų3432%0.32217%0.169SC..THydrogen-bonded Turntrans-60.9-23175.569.4-169.7172.8-169.90114.4C46 T63 L66 T79C46-K81 HydrophobicContact CB-CB 4.25Å; C46-K81 VanDerWaalsContact CB-O 3.24Å; C46-K81 WeakPolarHBondContact CB-O 3.41Å; C46-K81 PolarHBondContact N-O 3.33Å; C46-K81 PolarHBondContact SG-O 3.19Å; T63-K81 WeakPolarHBondContact OG1-CD 3.4Å; L66-K81 HydrophobicContact CD1-CB 3.69Å; T79-K81 PolarHBondContact O-N 2.76Å
82K97.1Very high97.1Very high74 Ų7434.9 Ų34.932%0.32218%0.175SC..THydrogen-bonded Turntrans-100.99.3178.9-70.9166.2176.3-1780112.6P30 R31 P32 S33 D80P30-K82 HydrophobicContact CB-CG 4.48Å; R31-K82 VanDerWaalsContact O-CD 3.29Å; R31-K82 WeakPolarHBondContact O-CD 3.34Å; R31-K82 WeakPolarHBondContact O-CG 3.5Å; P32-K82 WeakPolarHBondContact CA-O 3.15Å; S33-K82 PolarHBondContact N-O 3.15Å; S33-K82 WeakPolarHBondContact OG-CB 3.34Å; D80-K82 PolarHBondContact O-N 2.71Å; D80-K82 PolarHBondContact OD1-N 3.48Å
83Y97.7Very high97Very high14 Ų1432.9 Ų32.96%0.05517%0.166CC..  trans-55.2127.5179.7-176.8-96.2000110.9P36 P44 L45 V73 R78 D80 A85P36-Y83 WeakPolarHBondContact CG-OH 3.45Å; P44-Y83 WeakPolarHBondContact CA-O 3.15Å; L45-Y83 HydrophobicContact CD1-CD1 4.16Å; L45-Y83 HydrophobicContact CD1-CG 4.3Å; L45-Y83 HydrophobicContact CG-CD1 4.28Å; L45-Y83 PolarHBondContact N-O 3.08Å; V73-Y83 HydrophobicContact CB-CE1 4.09Å; V73-Y83 HydrophobicContact CG1-CE1 3.93Å; V73-Y83 HydrophobicContact CG2-CD1 4.23Å; V73-Y83 HydrophobicContact CG2-CE1 4.2Å; R78-Y83 HydrophobicContact CB-CG 4.43Å; R78-Y83 HydrophobicContact CG-CD1 4.18Å; R78-Y83 HydrophobicContact CG-CD2 4.33Å; R78-Y83 HydrophobicContact CG-CE1 4.17Å; R78-Y83 HydrophobicContact CG-CE2 4.34Å; R78-Y83 HydrophobicContact CG-CG 4.25Å; R78-Y83 VanDerWaalsContact CZ-CE2 3.44Å; R78-Y83 VanDerWaalsContact CZ-OH 3.3Å; R78-Y83 PolarHBondContact NE-OH 2.62Å; R78-Y83 PolarHBondContact NH2-OH 2.98Å; R78-Y83 VanDerWaalsContact NH2-OH 3.12Å; D80-Y83 VanDerWaalsContact O-CB 3.22Å; D80-Y83 WeakPolarHBondContact O-CB 3.14Å; D80-Y83 PolarHBondContact O-N 3.04Å; D80-Y83 VanDerWaalsContact O-N 3.07Å; D80-Y83 PolarHBondContact OD2-N 2.99Å; Y83-A85 HydrophobicContact CD1-CB 4.38Å; Y83-A85 PolarHBondContact O-N 2.87Å
84P97.7Very high96.8Very high0 Ų037.5 Ų37.50%019%0.188CC..EExtended strand (participates in β ladder)trans-83.576.4-174.735.3-37.3000110.8P32 S33 H37 C42P32-P84 HydrophobicContact CB-CB 4.1Å; S33-P84 WeakPolarHBondContact O-CG 3.33Å; H37-P84 PolarHBondContact CD2-O 3.46Å; C42-P84 HydrophobicContact CB-CB 3.75Å; C42-P84 VanDerWaalsContact SG-CB 3.57Å
85A97.5Very high96.6Very high0 Ų045.5 Ų45.50%022%0.222CC..EExtended strand (participates in β ladder)trans-65.5143.7168.900000109.4C42 L43 L45 V73 Y83 D89 I91 L102C42-A85 CarbonylContact C-O 3.46Å; C42-A85 WeakPolarHBondContact CA-O 3.16Å; C42-A85 WeakPolarHBondContact CB-O 3.36Å; L43-A85 PolarHBondContact N-O 2.83Å; L43-A85 PolarHBondContact O-N 3.33Å; L45-A85 HydrophobicContact CD2-CB 4.17Å; V73-A85 HydrophobicContact CG1-CB 4.49Å; Y83-A85 HydrophobicContact CD1-CB 4.38Å; Y83-A85 PolarHBondContact O-N 2.87Å; A85-D89 WeakPolarHBondContact CA-OD2 3.44Å; A85-I91 HydrophobicContact CB-CD1 4.2Å; A85-L102 HydrophobicContact CB-CD1 3.56Å
86G96.8Very high96.6Very high0 Ų046.6 Ų46.60%022%0.22CC..EExtended strand (participates in β ladder)trans-142.4-164-173.200000113.7H37 M88 D89 L102H37-G86 VanDerWaalsContact CD2-CA 3.42Å; H37-G86 WeakPolarHBondContact CD2-CA 3.33Å; H37-G86 PolarHBondContact CD2-N 2.98Å; H37-G86 VanDerWaalsContact CD2-N 3.27Å; G86-M88 PolarHBondContact O-N 3.39Å; G86-D89 PolarHBondContact N-OD2 2.88Å; G86-D89 WeakPolarHBondContact O-CB 3.22Å; G86-D89 PolarHBondContact O-N 2.82Å; G86-L102 WeakPolarHBondContact O-CB 3.45Å
87F96.8Very high96.5Very high6 Ų644.6 Ų44.63%0.02622%0.222CC..THydrogen-bonded Turntrans-55.7135-178.2-175.2-109.2000111.1D89 I103 Y104 F110 H143 M183 T185 F227F87-D89 PolarHBondContact O-N 3.27Å; F87-I103 HydrophobicContact CE2-CG1 3.9Å; F87-Y104 HydrophobicContact CB-CE2 3.94Å; F87-Y104 AromaticContact CD2-CD2 3.32Å; F87-Y104 HydrophobicContact CD2-CD2 3.32Å; F87-Y104 AromaticContact CD2-CE2 3.41Å; F87-Y104 HydrophobicContact CD2-CE2 3.41Å; F87-Y104 VanDerWaalsContact CD2-CE2 3.41Å; F87-Y104 HydrophobicContact CD2-CG 4.22Å; F87-Y104 AromaticContact CE2-CD2 3.6Å; F87-Y104 HydrophobicContact CE2-CD2 3.6Å; F87-Y104 HydrophobicContact CE2-CE2 4.1Å; F87-Y104 HydrophobicContact CE2-CG 4.46Å; F87-Y104 HydrophobicContact CG-CD2 4.17Å; F87-Y104 AromaticContact CG-CE2 3.81Å; F87-Y104 HydrophobicContact CG-CE2 3.81Å; F87-F110 HydrophobicContact CB-CE1 4.5Å; F87-H143 PolarHBondContact O-NE2 3.34Å; F87-M183 HydrophobicContact CE2-SD 3.49Å; F87-M183 WeakPolarHBondContact CE2-SD 3.24Å; F87-M183 HydrophobicContact CZ-CB 4.49Å; F87-M183 HydrophobicContact CZ-CG 4.32Å; F87-M183 HydrophobicContact CZ-SD 3.68Å; F87-T185 HydrophobicContact CD1-CG2 3.84Å; F87-T185 HydrophobicContact CE1-CG2 3.6Å; F87-T185 HydrophobicContact CE2-CG2 4.35Å; F87-T185 HydrophobicContact CG-CG2 4.34Å; F87-T185 HydrophobicContact CZ-CG2 3.87Å; F87-F227 HydrophobicContact CD1-CD2 4.04Å; F87-F227 HydrophobicContact CD1-CE2 4.11Å; F87-F227 HydrophobicContact CD1-CG 4.49Å; F87-F227 HydrophobicContact CE1-CB 4.15Å; F87-F227 AromaticContact CE1-CD1 3.87Å; F87-F227 HydrophobicContact CE1-CD1 3.87Å; F87-F227 AromaticContact CE1-CD2 3.58Å; F87-F227 HydrophobicContact CE1-CD2 3.58Å; F87-F227 HydrophobicContact CE1-CE1 4.14Å; F87-F227 AromaticContact CE1-CE2 3.83Å; F87-F227 HydrophobicContact CE1-CE2 3.83Å; F87-F227 AromaticContact CE1-CG 3.61Å; F87-F227 HydrophobicContact CE1-CG 3.61Å; F87-F227 HydrophobicContact CE1-CZ 4.12Å; F87-F227 HydrophobicContact CZ-CD1 4.46Å; F87-F227 HydrophobicContact CZ-CG 4.4Å
88M97.3Very high96.5Very high0 Ų043.3 Ų43.30%021%0.212CC..THydrogen-bonded Turntrans67.3-1.9-177.8-62.7-58.1-66.300117.2G86 L102 K123 L124 F227 I237G86-M88 PolarHBondContact O-N 3.39Å; M88-L102 PolarHBondContact N-O 3.4Å; M88-K123 WeakPolarHBondContact O-CB 3.41Å; M88-L124 WeakPolarHBondContact CB-O 3.31Å; M88-L124 HydrophobicContact CE-CB 3.45Å; M88-L124 VanDerWaalsContact CE-CB 3.45Å; M88-L124 HydrophobicContact CE-CD1 4.04Å; M88-L124 HydrophobicContact CE-CG 3.61Å; M88-F227 HydrophobicContact CG-CE1 4.25Å; M88-F227 HydrophobicContact CG-CE2 4.4Å; M88-F227 HydrophobicContact CG-CZ 3.89Å; M88-I237 HydrophobicContact CE-CD1 3.78Å; M88-I237 HydrophobicContact CE-CG2 3.68Å; M88-I237 HydrophobicContact SD-CD1 3.64Å
89D97.5Very high96.5Very high1 Ų141.1 Ų41.11%0.00521%0.205CC..  trans-67.5141.8173.4-68.7-8.4000110.6H37 V73 D74 A85 G86 F87 L102 K123H37-D89 IonicContact CD2-OD2 3.23Å; H37-D89 PolarHBondContact CD2-OD2 3.22Å; H37-D89 VanDerWaalsContact CD2-OD2 3.23Å; H37-D89 IonicContact CE1-OD1 2.97Å; H37-D89 VanDerWaalsContact NE2-CG 3.27Å; H37-D89 IonicContact NE2-OD1 3.87Å; H37-D89 PolarHBondContact NE2-OD1 3.46Å; H37-D89 IonicContact NE2-OD2 2.91Å; H37-D89 PolarHBondContact NE2-OD2 3.36Å; V73-D89 HydrophobicContact CG1-CB 4.08Å; D74-D89 WeakPolarHBondContact OD1-CA 3.46Å; A85-D89 WeakPolarHBondContact CA-OD2 3.44Å; G86-D89 PolarHBondContact N-OD2 2.88Å; G86-D89 WeakPolarHBondContact O-CB 3.22Å; G86-D89 PolarHBondContact O-N 2.82Å; F87-D89 PolarHBondContact O-N 3.27Å; D89-L102 PolarHBondContact O-N 3.11Å; D89-K123 IonicContact OD1-NZ 2.69Å; D89-K123 PolarHBondContact OD1-NZ 2.89Å
90V97.7Very high96.6Very high1 Ų137.1 Ų37.11%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-101123.8175.81770000108.9V73 D74 F100 I115 A120 K123 I165V73-V90 CarbonylContact C-O 3.53Å; V73-V90 WeakPolarHBondContact CA-O 3.5Å; D74-V90 PolarHBondContact N-O 2.83Å; D74-V90 PolarHBondContact OD1-N 3.46Å; V90-F100 CarbonylContact C-O 3.5Å; V90-F100 WeakPolarHBondContact CA-O 3.37Å; V90-I115 HydrophobicContact CG1-CD1 4.14Å; V90-I115 HydrophobicContact CG2-CD1 4.27Å; V90-A120 HydrophobicContact CG1-CB 3.91Å; V90-K123 HydrophobicContact CG2-CB 4.49Å; V90-I165 HydrophobicContact CB-CD1 3.96Å; V90-I165 HydrophobicContact CG2-CD1 3.79Å
91I97.6Very high96.6Very high0 Ų034.4 Ų34.40%017%0.166CC..EExtended strand (participates in β ladder)trans-107.9117.7175.4-55.4176.1000108.1L45 F48 V71 K72 V73 A85 F100 L102L45-I91 HydrophobicContact CD2-CD1 4.04Å; F48-I91 HydrophobicContact CD1-CD1 3.97Å; F48-I91 HydrophobicContact CD1-CG2 4.4Å; F48-I91 HydrophobicContact CD2-CD1 3.85Å; F48-I91 HydrophobicContact CE1-CB 4.27Å; F48-I91 HydrophobicContact CE1-CD1 3.87Å; F48-I91 HydrophobicContact CE1-CG2 3.68Å; F48-I91 HydrophobicContact CE2-CD1 3.73Å; F48-I91 HydrophobicContact CG-CD1 3.97Å; F48-I91 HydrophobicContact CZ-CB 4.12Å; F48-I91 HydrophobicContact CZ-CD1 3.75Å; F48-I91 HydrophobicContact CZ-CG2 4.03Å; V71-I91 HydrophobicContact CG1-CG2 3.88Å; K72-I91 CarbonylContact O-C 3.49Å; K72-I91 WeakPolarHBondContact O-CA 3.35Å; V73-I91 HydrophobicContact CG2-CG1 4.33Å; A85-I91 HydrophobicContact CB-CD1 4.2Å; I91-F100 HydrophobicContact CB-CB 4.46Å; I91-F100 PolarHBondContact N-O 2.82Å; I91-F100 PolarHBondContact O-N 3.02Å; I91-L102 HydrophobicContact CD1-CD1 3.93Å; I91-L102 HydrophobicContact CD1-CD2 4.16Å; I91-L102 HydrophobicContact CD1-CG 3.95Å
92T97.8Very high96.6Very high21 Ų2130.9 Ų30.913%0.12915%0.15CC..EExtended strand (participates in β ladder)trans-110.6133178.1-63.90000109.5K72 H99K72-T92 PolarHBondContact N-O 2.8Å; K72-T92 PolarHBondContact O-N 2.82Å; T92-H99 WeakPolarHBondContact CG2-CE1 3.28Å; T92-H99 VanDerWaalsContact CG2-ND1 3.28Å; T92-H99 WeakPolarHBondContact CG2-ND1 3.48Å; T92-H99 PolarHBondContact OG1-ND1 3.15Å
93I96.6Very high96.6Very high12 Ų1227.4 Ų27.46%0.06214%0.135CC..EExtended strand (participates in β ladder)trans-114.2109.1172.1-57.1178000107.4L49 L53 Y55 K95 T96 N97 E98 F100L49-I93 HydrophobicContact CD2-CD1 4.47Å; L53-I93 HydrophobicContact CD1-CD1 3.88Å; Y55-I93 HydrophobicContact CD2-CD1 4Å; Y55-I93 HydrophobicContact CE2-CD1 3.68Å; I93-K95 PolarHBondContact O-N 2.97Å; I93-T96 HydrophobicContact CG2-CG2 4.39Å; I93-T96 WeakPolarHBondContact CG2-OG1 3.32Å; I93-N97 PolarHBondContact O-N 2.66Å; I93-N97 VanDerWaalsContact O-N 3.16Å; I93-E98 PolarHBondContact N-O 3.32Å; I93-E98 PolarHBondContact O-N 2.92Å; I93-F100 HydrophobicContact CD1-CE2 4.05Å
94E92.5Very high96.5Very high97 Ų9727.2 Ų27.245%0.45314%0.135SC..THydrogen-bonded Turntrans-66.1-42.9-169.6-60.6-171.1133.600112.4L70 K72 T96 N97L70-E94 PolarHBondContact O-N 2.99Å; K72-E94 HydrophobicContact CD-CG 4.4Å; K72-E94 WeakPolarHBondContact CD-OE1 3.33Å; K72-E94 WeakPolarHBondContact CE-OE1 3.41Å; K72-E94 IonicContact NZ-OE1 3.99Å; K72-E94 PolarHBondContact NZ-OE1 3.49Å; K72-E94 IonicContact NZ-OE2 3.43Å; E94-T96 VanDerWaalsContact C-N 3.3Å; E94-T96 PolarHBondContact O-N 3Å; E94-N97 PolarHBondContact O-N 3.04Å; E94-N97 VanDerWaalsContact O-N 3.14Å
95K94Very high96.3Very high173 Ų17328.4 Ų28.475%0.75214%0.141SC*.THydrogen-bonded Turntrans-65.3-31.9-175.1-169.4173.1-178.21770113.5L70 I93L70-K95 HydrophobicContact CD1-CD 4.36Å; I93-K95 PolarHBondContact O-N 2.97Å
96T94.5Very high96.1Very high68 Ų6829 Ų2942%0.41714%0.144SC..THydrogen-bonded Turntrans-96-3.8178.158.30000112.7I93 E94 E98I93-T96 HydrophobicContact CG2-CG2 4.39Å; I93-T96 WeakPolarHBondContact CG2-OG1 3.32Å; E94-T96 VanDerWaalsContact C-N 3.3Å; E94-T96 PolarHBondContact O-N 3Å; T96-E98 PolarHBondContact O-N 2.69Å; T96-E98 PolarHBondContact OG1-OE2 3.47Å; T96-E98 VanDerWaalsContact OG1-OE2 3.09Å
97N94.8Very high96Very high123 Ų12333.5 Ų33.566%0.65816%0.164SC*.THydrogen-bonded Turntrans5038-171.9-162.127.4000112.9I93 E94I93-N97 PolarHBondContact O-N 2.66Å; I93-N97 VanDerWaalsContact O-N 3.16Å; E94-N97 PolarHBondContact O-N 3.04Å; E94-N97 VanDerWaalsContact O-N 3.14Å
98E95.8Very high95.8Very high31 Ų3133.8 Ų33.815%0.14517%0.169CC..EExtended strand (participates in β ladder)trans-106.2134.9179.4-68.1179.5126.500111.2Y55 I93 T96 F100 R114Y55-E98 PolarHBondContact OH-OE1 3.39Å; Y55-E98 PolarHBondContact OH-OE2 3.38Å; I93-E98 PolarHBondContact N-O 3.32Å; I93-E98 PolarHBondContact O-N 2.92Å; T96-E98 PolarHBondContact O-N 2.69Å; T96-E98 PolarHBondContact OG1-OE2 3.47Å; T96-E98 VanDerWaalsContact OG1-OE2 3.09Å; E98-F100 HydrophobicContact CB-CD2 4.39Å; E98-F100 HydrophobicContact CB-CE2 3.55Å; E98-F100 HydrophobicContact CB-CZ 3.73Å; E98-F100 HydrophobicContact CG-CE2 4.49Å; E98-F100 HydrophobicContact CG-CZ 4.25Å; E98-F100 WeakPolarHBondContact OE2-CZ 3.5Å; E98-R114 IonicContact OE1-CZ 3.98Å; E98-R114 IonicContact OE1-NE 2.62Å; E98-R114 PolarHBondContact OE1-NE 2.93Å; E98-R114 IonicContact OE1-NH2 3.6Å; E98-R114 PolarHBondContact OE1-NH2 2.75Å
99H97.7Very high95.6Very high26 Ų2637.2 Ų37.212%0.1218%0.182CC..EExtended strand (participates in β ladder)trans-118.3131174.8-53.6-75000109.9T92 R114 I115 A120T92-H99 WeakPolarHBondContact CG2-CE1 3.28Å; T92-H99 VanDerWaalsContact CG2-ND1 3.28Å; T92-H99 WeakPolarHBondContact CG2-ND1 3.48Å; T92-H99 PolarHBondContact OG1-ND1 3.15Å; H99-R114 WeakPolarHBondContact O-CA 3.49Å; H99-I115 HydrophobicContact CB-CD1 4.31Å; H99-I115 HydrophobicContact CB-CG1 3.68Å; H99-I115 WeakPolarHBondContact O-CG1 3.27Å; H99-I115 PolarHBondContact O-N 3.07Å; H99-A120 HydrophobicContact CB-CB 3.67Å
100F97.6Very high95.5Very high1 Ų137.4 Ų37.40%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-124.9139-178.9-56.8-78.9000110.2F48 L53 V90 I91 I93 E98 I112 Q113 R114F48-F100 HydrophobicContact CE2-CB 4.47Å; F48-F100 HydrophobicContact CZ-CB 4.04Å; F48-F100 AromaticContact CZ-CD2 3.9Å; F48-F100 HydrophobicContact CZ-CD2 3.9Å; F48-F100 HydrophobicContact CZ-CG 4.02Å; L53-F100 HydrophobicContact CD1-CE2 4Å; L53-F100 HydrophobicContact CD1-CZ 4.22Å; L53-F100 HydrophobicContact CD2-CE1 3.97Å; L53-F100 HydrophobicContact CD2-CE2 4.36Å; L53-F100 HydrophobicContact CD2-CZ 3.78Å; V90-F100 CarbonylContact C-O 3.5Å; V90-F100 WeakPolarHBondContact CA-O 3.37Å; I91-F100 HydrophobicContact CB-CB 4.46Å; I91-F100 PolarHBondContact N-O 2.82Å; I91-F100 PolarHBondContact O-N 3.02Å; I93-F100 HydrophobicContact CD1-CE2 4.05Å; E98-F100 HydrophobicContact CB-CD2 4.39Å; E98-F100 HydrophobicContact CB-CE2 3.55Å; E98-F100 HydrophobicContact CB-CZ 3.73Å; E98-F100 HydrophobicContact CG-CE2 4.49Å; E98-F100 HydrophobicContact CG-CZ 4.25Å; E98-F100 WeakPolarHBondContact OE2-CZ 3.5Å; F100-I112 HydrophobicContact CB-CG2 4.04Å; F100-I112 HydrophobicContact CD1-CG2 3.15Å; F100-I112 HydrophobicContact CE1-CG2 3.66Å; F100-I112 HydrophobicContact CG-CG2 3.77Å; F100-Q113 CarbonylContact C-O 3.59Å; F100-Q113 VanDerWaalsContact CA-O 3.25Å; F100-Q113 WeakPolarHBondContact CA-O 3.49Å; F100-R114 HydrophobicContact CD1-CG 3.72Å; F100-R114 HydrophobicContact CE1-CG 3.41Å; F100-R114 VanDerWaalsContact CE1-CG 3.41Å; F100-R114 HydrophobicContact CZ-CG 4.44Å
101R97.7Very high95.3Very high1 Ų138.3 Ų38.30%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-108132.3165.1-174170.8-74.7149.2-1.2110I103 Q113 I115 E119 Y122R101-I103 PolarHBondContact O-N 2.86Å; R101-Q113 PolarHBondContact N-O 2.78Å; R101-Q113 PolarHBondContact O-N 3.48Å; R101-I115 HydrophobicContact CB-CD1 4.19Å; R101-I115 HydrophobicContact CB-CG2 3.94Å; R101-E119 IonicContact CZ-OE1 3.03Å; R101-E119 IonicContact NH1-OE1 2.69Å; R101-E119 PolarHBondContact NH1-OE1 2.83Å; R101-E119 PolarHBondContact NH2-O 3.3Å; R101-Y122 PolarHBondContact NH2-O 3.46Å
102L96.9Very high95.1Very high0 Ų040.4 Ų40.40%020%0.201CC..EExtended strand (participates in β ladder)trans-78.6110.2171.4-69.1-173.2000109.6L43 F48 A85 G86 M88 D89 I91 F110L43-L102 HydrophobicContact CB-CD1 4.39Å; L43-L102 HydrophobicContact CD2-CD2 3.98Å; F48-L102 HydrophobicContact CD2-CD2 3.88Å; F48-L102 HydrophobicContact CE2-CD2 3.88Å; A85-L102 HydrophobicContact CB-CD1 3.56Å; G86-L102 WeakPolarHBondContact O-CB 3.45Å; M88-L102 PolarHBondContact N-O 3.4Å; D89-L102 PolarHBondContact O-N 3.11Å; I91-L102 HydrophobicContact CD1-CD1 3.93Å; I91-L102 HydrophobicContact CD1-CD2 4.16Å; I91-L102 HydrophobicContact CD1-CG 3.95Å; L102-F110 HydrophobicContact CB-CD1 4.21Å
103I96.3Very high94.9Very high1 Ų141.6 Ų41.61%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-131.6159.4179.1-159.9161.6000109.9F87 R101 F110 A111 Q113 M183 I237 P240F87-I103 HydrophobicContact CE2-CG1 3.9Å; R101-I103 PolarHBondContact O-N 2.86Å; I103-F110 CarbonylContact O-C 3.54Å; I103-F110 WeakPolarHBondContact O-CA 3.47Å; I103-A111 HydrophobicContact CG2-CB 4.04Å; I103-A111 PolarHBondContact N-O 3.23Å; I103-A111 PolarHBondContact O-N 3.28Å; I103-Q113 HydrophobicContact CG2-CB 3.92Å; I103-M183 HydrophobicContact CD1-CE 3.62Å; I103-M183 HydrophobicContact CD1-SD 4.04Å; I103-M183 HydrophobicContact CG1-CE 3.69Å; I103-M183 HydrophobicContact CG1-SD 3.6Å; I103-I237 HydrophobicContact CD1-CD1 3.63Å; I103-P240 HydrophobicContact CG2-CB 4.08Å; I103-P240 HydrophobicContact CG2-CG 4.02Å
104Y96Very high94.9Very high10 Ų1048.8 Ų48.84%0.03923%0.231CC..EExtended strand (participates in β ladder)trans-84.4139.2177.7-67.3-62.9000111.9F87 R109 F110 T185 L190F87-Y104 HydrophobicContact CB-CE2 3.94Å; F87-Y104 AromaticContact CD2-CD2 3.32Å; F87-Y104 HydrophobicContact CD2-CD2 3.32Å; F87-Y104 AromaticContact CD2-CE2 3.41Å; F87-Y104 HydrophobicContact CD2-CE2 3.41Å; F87-Y104 VanDerWaalsContact CD2-CE2 3.41Å; F87-Y104 HydrophobicContact CD2-CG 4.22Å; F87-Y104 AromaticContact CE2-CD2 3.6Å; F87-Y104 HydrophobicContact CE2-CD2 3.6Å; F87-Y104 HydrophobicContact CE2-CE2 4.1Å; F87-Y104 HydrophobicContact CE2-CG 4.46Å; F87-Y104 HydrophobicContact CG-CD2 4.17Å; F87-Y104 AromaticContact CG-CE2 3.81Å; F87-Y104 HydrophobicContact CG-CE2 3.81Å; Y104-R109 CarbonylContact C-O 3.51Å; Y104-R109 WeakPolarHBondContact CA-O 3.38Å; Y104-F110 HydrophobicContact CD1-CD1 4.18Å; Y104-F110 HydrophobicContact CD1-CE1 4.16Å; Y104-F110 AromaticContact CE1-CD1 3.93Å; Y104-F110 HydrophobicContact CE1-CD1 3.93Å; Y104-F110 HydrophobicContact CE1-CD2 4.37Å; Y104-F110 AromaticContact CE1-CE1 3.5Å; Y104-F110 HydrophobicContact CE1-CE1 3.5Å; Y104-F110 AromaticContact CE1-CE2 3.98Å; Y104-F110 HydrophobicContact CE1-CE2 3.98Å; Y104-F110 HydrophobicContact CE1-CG 4.34Å; Y104-F110 AromaticContact CE1-CZ 3.53Å; Y104-F110 HydrophobicContact CE1-CZ 3.53Å; Y104-F110 AromaticContact CZ-CE1 3.75Å; Y104-F110 AromaticContact CZ-CZ 3.73Å; Y104-F110 WeakPolarHBondContact OH-CZ 3.29Å; Y104-T185 HydrophobicContact CE2-CG2 4.37Å; Y104-L190 HydrophobicContact CD1-CD1 3.98Å; Y104-L190 HydrophobicContact CD1-CD2 4.33Å; Y104-L190 HydrophobicContact CD1-CG 4.29Å; Y104-L190 HydrophobicContact CD2-CD1 3.66Å; Y104-L190 HydrophobicContact CE1-CD1 4.17Å; Y104-L190 HydrophobicContact CE1-CD2 4.43Å; Y104-L190 HydrophobicContact CE2-CD1 3.86Å; Y104-L190 HydrophobicContact CG-CD1 3.73Å; Y104-L190 HydrophobicContact CG-CG 4.26Å
105D93.4Very high95.1Very high24 Ų2445 Ų4513%0.12821%0.214CC..  trans-86.8160.5164.4-176.822.3000110.3K107 G108 R109 A111 G191D105-K107 PolarHBondContact O-N 2.92Å; D105-G108 WeakPolarHBondContact O-CA 3.45Å; D105-G108 PolarHBondContact O-N 3.07Å; D105-R109 PolarHBondContact N-O 2.95Å; D105-R109 IonicContact OD2-CZ 3.65Å; D105-R109 IonicContact OD2-NE 3.59Å; D105-R109 IonicContact OD2-NH2 3.48Å; D105-R109 PolarHBondContact OD2-NH2 2.95Å; D105-A111 HydrophobicContact CB-CB 4.21Å; D105-G191 WeakPolarHBondContact O-CA 3.42Å
106T93.5Very high95.3Very high13 Ų1342.2 Ų42.28%0.0820%0.203CC..THydrogen-bonded Turntrans-64-14-178.659.70000114.3G108 G244 R246T106-G108 VanDerWaalsContact C-N 3.3Å; T106-G244 WeakPolarHBondContact CG2-O 3.49Å; T106-R246 HydrophobicContact CG2-CB 4.5Å
107K93.5Very high95.3Very high95 Ų9541.6 Ų41.641%0.41320%0.2SC..THydrogen-bonded Turntrans-87.14.9170.7-57.5-162.4-172.7177.20113.8D105 R109 E252 R256D105-K107 PolarHBondContact O-N 2.92Å; K107-R109 HydrophobicContact CB-CG 4.4Å; K107-E252 WeakPolarHBondContact CE-OE1 3.49Å; K107-E252 IonicContact NZ-OE1 2.82Å; K107-E252 PolarHBondContact NZ-OE1 3.22Å; K107-E252 IonicContact NZ-OE2 3.87Å; K107-R256 VanDerWaalsContact NZ-NH2 3.13Å
108G92.3Very high95.4Very high12 Ų1239.8 Ų39.812%0.12419%0.191CC..SBendtrans75.132.7179.100000114.7H18 D105 T106H18-G108 WeakPolarHBondContact CB-O 3.41Å; D105-G108 WeakPolarHBondContact O-CA 3.45Å; D105-G108 PolarHBondContact O-N 3.07Å; T106-G108 VanDerWaalsContact C-N 3.3Å
109R94.7Very high95.4Very high72 Ų7239.5 Ų39.527%0.27219%0.189SC..SBendtrans-117.1154.1-178.4-56.2173.6-66.81765.6109.8M20 Y104 D105 K107 A111M20-R109 WeakPolarHBondContact SD-CD 3.09Å; M20-R109 HydrophobicContact SD-CG 4.42Å; Y104-R109 CarbonylContact C-O 3.51Å; Y104-R109 WeakPolarHBondContact CA-O 3.38Å; D105-R109 PolarHBondContact N-O 2.95Å; D105-R109 IonicContact OD2-CZ 3.65Å; D105-R109 IonicContact OD2-NE 3.59Å; D105-R109 IonicContact OD2-NH2 3.48Å; D105-R109 PolarHBondContact OD2-NH2 2.95Å; K107-R109 HydrophobicContact CB-CG 4.4Å; R109-A111 PolarHBondContact O-N 3.45Å; R109-A111 VanDerWaalsContact O-N 3.16Å
110F95.3Very high95.4Very high5 Ų538.8 Ų38.82%0.02219%0.188CC..EExtended strand (participates in β ladder)trans-68112.5164.9-74.9-71000109.7H18 E41 L43 F87 L102 I103 Y104H18-F110 AromaticContact CD2-CD2 3.63Å; H18-F110 AromaticContact CD2-CE2 3.78Å; H18-F110 AromaticContact NE2-CD2 3.84Å; H18-F110 AromaticContact NE2-CE2 3.52Å; E41-F110 WeakPolarHBondContact O-CZ 3.38Å; L43-F110 HydrophobicContact CB-CD2 3.77Å; L43-F110 HydrophobicContact CB-CE2 4.08Å; L43-F110 HydrophobicContact CB-CG 4.24Å; L43-F110 HydrophobicContact CD1-CD2 4.37Å; L43-F110 HydrophobicContact CD2-CB 4.09Å; L43-F110 HydrophobicContact CD2-CG 4.46Å; L43-F110 HydrophobicContact CG-CD2 4.47Å; F87-F110 HydrophobicContact CB-CE1 4.5Å; L102-F110 HydrophobicContact CB-CD1 4.21Å; I103-F110 CarbonylContact O-C 3.54Å; I103-F110 WeakPolarHBondContact O-CA 3.47Å; Y104-F110 HydrophobicContact CD1-CD1 4.18Å; Y104-F110 HydrophobicContact CD1-CE1 4.16Å; Y104-F110 AromaticContact CE1-CD1 3.93Å; Y104-F110 HydrophobicContact CE1-CD1 3.93Å; Y104-F110 HydrophobicContact CE1-CD2 4.37Å; Y104-F110 AromaticContact CE1-CE1 3.5Å; Y104-F110 HydrophobicContact CE1-CE1 3.5Å; Y104-F110 AromaticContact CE1-CE2 3.98Å; Y104-F110 HydrophobicContact CE1-CE2 3.98Å; Y104-F110 HydrophobicContact CE1-CG 4.34Å; Y104-F110 AromaticContact CE1-CZ 3.53Å; Y104-F110 HydrophobicContact CE1-CZ 3.53Å; Y104-F110 AromaticContact CZ-CE1 3.75Å; Y104-F110 AromaticContact CZ-CZ 3.73Å; Y104-F110 WeakPolarHBondContact OH-CZ 3.29Å
111A93.8Very high95.3Very high20 Ų2044.4 Ų44.417%0.16521%0.212CC..EExtended strand (participates in β ladder)trans-78.1138.9162.300000109.1I103 D105 R109 Q113 P240I103-A111 HydrophobicContact CG2-CB 4.04Å; I103-A111 PolarHBondContact N-O 3.23Å; I103-A111 PolarHBondContact O-N 3.28Å; D105-A111 HydrophobicContact CB-CB 4.21Å; R109-A111 PolarHBondContact O-N 3.45Å; R109-A111 VanDerWaalsContact O-N 3.16Å; A111-Q113 PolarHBondContact O-N 3.19Å; A111-P240 HydrophobicContact CB-CB 4.2Å
112I91.9Very high95.3Very high43 Ų4346.5 Ų46.522%0.22122%0.221CC..EExtended strand (participates in β ladder)trans-92.396.7168.5-62.6-170.5000106.3F48 R52 L53 F100F48-I112 HydrophobicContact CD2-CD1 3.49Å; F48-I112 VanDerWaalsContact CD2-CD1 3.49Å; F48-I112 HydrophobicContact CD2-CG1 4Å; F48-I112 HydrophobicContact CE2-CB 4.43Å; F48-I112 HydrophobicContact CE2-CD1 3.29Å; F48-I112 HydrophobicContact CE2-CG1 3.66Å; F48-I112 HydrophobicContact CE2-CG2 4.01Å; F48-I112 HydrophobicContact CG-CD1 4.45Å; F48-I112 HydrophobicContact CZ-CD1 4.11Å; F48-I112 HydrophobicContact CZ-CG2 4.37Å; R52-I112 HydrophobicContact CB-CD1 3.22Å; R52-I112 HydrophobicContact CB-CG1 4.24Å; R52-I112 HydrophobicContact CG-CD1 4Å; L53-I112 HydrophobicContact CD2-CD1 3.9Å; L53-I112 HydrophobicContact CD2-CG2 4.09Å; L53-I112 HydrophobicContact CG-CD1 4Å; F100-I112 HydrophobicContact CB-CG2 4.04Å; F100-I112 HydrophobicContact CD1-CG2 3.15Å; F100-I112 HydrophobicContact CE1-CG2 3.66Å; F100-I112 HydrophobicContact CG-CG2 3.77Å
113Q95.1Very high95.4Very high46 Ų4646.6 Ų46.622%0.21522%0.221CC..EExtended strand (participates in β ladder)trans-88.1116.6177.5-178.157.633.300108.7F100 R101 I103 A111 I115F100-Q113 CarbonylContact C-O 3.59Å; F100-Q113 VanDerWaalsContact CA-O 3.25Å; F100-Q113 WeakPolarHBondContact CA-O 3.49Å; R101-Q113 PolarHBondContact N-O 2.78Å; R101-Q113 PolarHBondContact O-N 3.48Å; I103-Q113 HydrophobicContact CG2-CB 3.92Å; A111-Q113 PolarHBondContact O-N 3.19Å; Q113-I115 HydrophobicContact CG-CG2 4.06Å
114R96.1Very high95.4Very high164 Ų16446.5 Ų46.562%0.61922%0.221SC*.EExtended strand (participates in β ladder)trans-67.9132.3167.5-75.9-179.9170.4168.9-2.9108.8E98 H99 F100E98-R114 IonicContact OE1-CZ 3.98Å; E98-R114 IonicContact OE1-NE 2.62Å; E98-R114 PolarHBondContact OE1-NE 2.93Å; E98-R114 IonicContact OE1-NH2 3.6Å; E98-R114 PolarHBondContact OE1-NH2 2.75Å; H99-R114 WeakPolarHBondContact O-CA 3.49Å; F100-R114 HydrophobicContact CD1-CG 3.72Å; F100-R114 HydrophobicContact CE1-CG 3.41Å; F100-R114 VanDerWaalsContact CE1-CG 3.41Å; F100-R114 HydrophobicContact CZ-CG 4.44Å
115I97.3Very high95.5Very high17 Ų1746 Ų469%0.08722%0.219CC..EExtended strand (participates in β ladder)trans-127.4158.4-177.562.5168.5000110.9V90 H99 R101 Q113 E119 A120 S238V90-I115 HydrophobicContact CG1-CD1 4.14Å; V90-I115 HydrophobicContact CG2-CD1 4.27Å; H99-I115 HydrophobicContact CB-CD1 4.31Å; H99-I115 HydrophobicContact CB-CG1 3.68Å; H99-I115 WeakPolarHBondContact O-CG1 3.27Å; H99-I115 PolarHBondContact O-N 3.07Å; R101-I115 HydrophobicContact CB-CD1 4.19Å; R101-I115 HydrophobicContact CB-CG2 3.94Å; Q113-I115 HydrophobicContact CG-CG2 4.06Å; I115-E119 HydrophobicContact CB-CB 4.35Å; I115-E119 HydrophobicContact CB-CG 4.26Å; I115-E119 HydrophobicContact CD1-CB 4.48Å; I115-E119 HydrophobicContact CD1-CG 4.21Å; I115-A120 HydrophobicContact CD1-CB 3.75Å; I115-A120 HydrophobicContact CG1-CB 4.3Å; I115-S238 WeakPolarHBondContact CG2-OG 3.04Å
116H96.6Very high95.7Very high115 Ų11545.6 Ų45.653%0.53222%0.216SC..  trans-69.3147.5174.1-165.5-99.7000110.5D118 E119 A120H116-D118 IonicContact CE1-OD2 3.64Å; H116-D118 PolarHBondContact CE1-OD2 3.24Å; H116-D118 PolarHBondContact ND1-N 2.72Å; H116-D118 IonicContact ND1-OD2 3.02Å; H116-D118 PolarHBondContact ND1-OD2 3.11Å; H116-D118 VanDerWaalsContact ND1-OD2 3.08Å; H116-D118 PolarHBondContact O-N 3.11Å; H116-D118 VanDerWaalsContact O-N 3.15Å; H116-E119 WeakPolarHBondContact O-CB 3.47Å; H116-E119 PolarHBondContact O-N 3.16Å; H116-A120 PolarHBondContact O-N 3.07Å
117P95.7Very high95.9Very high54 Ų5445 Ų4535%0.35121%0.212SC..THydrogen-bonded Turntrans-51.7-34.2175.316.7-32.6000114.1A120 K121P117-A120 WeakPolarHBondContact O-CB 3.3Å; P117-A120 PolarHBondContact O-N 3.43Å; P117-K121 PolarHBondContact O-N 2.95Å
118D96.1Very high96.1Very high85 Ų8545.3 Ų45.346%0.45521%0.213SC..THydrogen-bonded Turntrans-69-36.8176.6-65-44.7000113.2H116 A120 K121H116-D118 IonicContact CE1-OD2 3.64Å; H116-D118 PolarHBondContact CE1-OD2 3.24Å; H116-D118 PolarHBondContact ND1-N 2.72Å; H116-D118 IonicContact ND1-OD2 3.02Å; H116-D118 PolarHBondContact ND1-OD2 3.11Å; H116-D118 VanDerWaalsContact ND1-OD2 3.08Å; H116-D118 PolarHBondContact O-N 3.11Å; H116-D118 VanDerWaalsContact O-N 3.15Å; D118-A120 PolarHBondContact O-N 2.82Å; D118-K121 WeakPolarHBondContact O-CB 3.15Å; D118-K121 PolarHBondContact O-N 3.33Å; D118-K121 IonicContact OD1-NZ 2.66Å; D118-K121 PolarHBondContact OD1-NZ 2.86Å
119E96Very high96.3Very high25 Ų2550.8 Ų50.812%0.11723%0.234CC..G310 helixtrans-69.5-27.6173.5179.9170.3-16400111.5R101 I115 H116 K121 Y122 I237 S238R101-E119 IonicContact CZ-OE1 3.03Å; R101-E119 IonicContact NH1-OE1 2.69Å; R101-E119 PolarHBondContact NH1-OE1 2.83Å; R101-E119 PolarHBondContact NH2-O 3.3Å; I115-E119 HydrophobicContact CB-CB 4.35Å; I115-E119 HydrophobicContact CB-CG 4.26Å; I115-E119 HydrophobicContact CD1-CB 4.48Å; I115-E119 HydrophobicContact CD1-CG 4.21Å; H116-E119 WeakPolarHBondContact O-CB 3.47Å; H116-E119 PolarHBondContact O-N 3.16Å; E119-K121 PolarHBondContact O-N 2.82Å; E119-Y122 HydrophobicContact CB-CE1 4.39Å; E119-Y122 HydrophobicContact CG-CE1 4.34Å; E119-Y122 PolarHBondContact O-N 3.2Å; E119-Y122 VanDerWaalsContact O-O 3.08Å; E119-I237 WeakPolarHBondContact OE1-CA 3.49Å; E119-S238 VanDerWaalsContact CD-OG 3.29Å; E119-S238 PolarHBondContact OE1-N 3.43Å; E119-S238 PolarHBondContact OE1-OG 3.43Å; E119-S238 WeakPolarHBondContact OE2-CB 3.31Å; E119-S238 PolarHBondContact OE2-OG 3.4Å
120A97Very high96.4Very high11 Ų1150.2 Ų50.29%0.09124%0.238CC..G310 helixtrans-72.3-11.4177.800000113.9V90 H99 I115 H116 P117 D118 Y122 I165V90-A120 HydrophobicContact CG1-CB 3.91Å; H99-A120 HydrophobicContact CB-CB 3.67Å; I115-A120 HydrophobicContact CD1-CB 3.75Å; I115-A120 HydrophobicContact CG1-CB 4.3Å; H116-A120 PolarHBondContact O-N 3.07Å; P117-A120 WeakPolarHBondContact O-CB 3.3Å; P117-A120 PolarHBondContact O-N 3.43Å; D118-A120 PolarHBondContact O-N 2.82Å; A120-Y122 VanDerWaalsContact C-N 3.33Å; A120-I165 VanDerWaalsContact O-CD1 3.28Å; A120-I165 WeakPolarHBondContact O-CD1 3.36Å
121K97.2Very high96.4Very high119 Ų11953.4 Ų53.452%0.51726%0.255SS..G310 helixtrans-76.2-20.5176.9-67.2169.5-176.6164.10112.8P117 D118 E119 I165P117-K121 PolarHBondContact O-N 2.95Å; D118-K121 WeakPolarHBondContact O-CB 3.15Å; D118-K121 PolarHBondContact O-N 3.33Å; D118-K121 IonicContact OD1-NZ 2.66Å; D118-K121 PolarHBondContact OD1-NZ 2.86Å; E119-K121 PolarHBondContact O-N 2.82Å; K121-I165 VanDerWaalsContact O-CB 3.3Å; K121-I165 WeakPolarHBondContact O-CB 3.47Å; K121-I165 PolarHBondContact O-N 2.89Å
122Y97.5Very high96.6Very high46 Ų4657.3 Ų57.318%0.1828%0.277CS..EExtended strand (participates in β ladder)trans-130165.1-179.869.1-91.4000112.4R101 E119 A120 Q162 V163 W236 I237R101-Y122 PolarHBondContact NH2-O 3.46Å; E119-Y122 HydrophobicContact CB-CE1 4.39Å; E119-Y122 HydrophobicContact CG-CE1 4.34Å; E119-Y122 PolarHBondContact O-N 3.2Å; E119-Y122 VanDerWaalsContact O-O 3.08Å; A120-Y122 VanDerWaalsContact C-N 3.33Å; Y122-Q162 HydrophobicContact CD2-CG 3.76Å; Y122-Q162 HydrophobicContact CG-CG 4.12Å; Y122-V163 VanDerWaalsContact CA-O 3.29Å; Y122-V163 WeakPolarHBondContact CA-O 3.49Å; Y122-V163 WeakPolarHBondContact CB-O 3.4Å; Y122-W236 WeakPolarHBondContact CE2-O 3.35Å; Y122-W236 PolarHBondContact OH-O 3.35Å; Y122-I237 HydrophobicContact CE2-CG2 4.46Å
123K97.5Very high96.8Very high1 Ų156.5 Ų56.50%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-143.6162.2165.868.6-179.7-162161.40111.5D74 M88 D89 V90 D144 V163 I165D74-K123 WeakPolarHBondContact OD1-CD 3.25Å; D74-K123 IonicContact OD1-NZ 3.89Å; D74-K123 WeakPolarHBondContact OD2-CE 3.4Å; D74-K123 IonicContact OD2-NZ 3.47Å; D74-K123 PolarHBondContact OD2-NZ 2.95Å; M88-K123 WeakPolarHBondContact O-CB 3.41Å; D89-K123 IonicContact OD1-NZ 2.69Å; D89-K123 PolarHBondContact OD1-NZ 2.89Å; V90-K123 HydrophobicContact CG2-CB 4.49Å; K123-D144 VanDerWaalsContact CE-OD2 3.23Å; K123-D144 WeakPolarHBondContact CE-OD2 3.47Å; K123-D144 IonicContact NZ-OD2 2.66Å; K123-D144 PolarHBondContact NZ-OD2 3Å; K123-V163 PolarHBondContact N-O 3.32Å; K123-V163 PolarHBondContact O-N 3.16Å; K123-I165 HydrophobicContact CB-CD1 4.28Å; K123-I165 HydrophobicContact CG-CD1 4.42Å; K123-I165 HydrophobicContact CG-CG1 4.22Å
124L97.8Very high96.8Very high0 Ų063.5 Ų63.50%031%0.311CS..EExtended strand (participates in β ladder)trans-93.4140.6173.1-53.6-175.7000110.1M88 T160 I161 Q162 F227 I229 W236 I237M88-L124 WeakPolarHBondContact CB-O 3.31Å; M88-L124 HydrophobicContact CE-CB 3.45Å; M88-L124 VanDerWaalsContact CE-CB 3.45Å; M88-L124 HydrophobicContact CE-CD1 4.04Å; M88-L124 HydrophobicContact CE-CG 3.61Å; L124-T160 HydrophobicContact CB-CG2 3.71Å; L124-T160 HydrophobicContact CD1-CG2 4.3Å; L124-T160 HydrophobicContact CG-CG2 4.4Å; L124-I161 CarbonylContact C-O 3.5Å; L124-I161 WeakPolarHBondContact CA-O 3.14Å; L124-Q162 HydrophobicContact CD2-CB 4.02Å; L124-Q162 HydrophobicContact CD2-CG 4.21Å; L124-F227 HydrophobicContact CB-CE1 3.77Å; L124-F227 HydrophobicContact CB-CZ 3.84Å; L124-F227 HydrophobicContact CD1-CE1 4.3Å; L124-I229 HydrophobicContact CD1-CB 4.39Å; L124-W236 HydrophobicContact CD1-CB 4.27Å; L124-W236 HydrophobicContact CD2-CB 4.31Å; L124-W236 HydrophobicContact CD2-CE3 3.71Å; L124-W236 HydrophobicContact CD2-CZ3 4.5Å; L124-I237 HydrophobicContact CD1-CG2 3.73Å; L124-I237 HydrophobicContact CG-CG2 3.87Å
125C97.8Very high96.8Very high0 Ų059 Ų590%032%0.315CS..EExtended strand (participates in β ladder)trans-132125.3175.6-69.10000110T142 D144 T160 I161 V163C125-T142 HydrophobicContact CB-CG2 3.63Å; C125-D144 PolarHBondContact SG-OD1 3.49Å; C125-T160 WeakPolarHBondContact O-CA 3.35Å; C125-I161 HydrophobicContact CB-CD1 4.24Å; C125-I161 HydrophobicContact CB-CG1 3.89Å; C125-I161 PolarHBondContact N-O 3.33Å; C125-I161 WeakPolarHBondContact O-CG1 3.25Å; C125-I161 PolarHBondContact O-N 3.04Å; C125-V163 HydrophobicContact CB-CG2 4.22Å
126K97.9Very high96.7Very high15 Ų1560.7 Ų60.77%0.06534%0.337CS..EExtended strand (participates in β ladder)trans-74.4133.1170.3178.2176.7-176.3179.10110.1T142 H143 N158 D159 L223 I226 F227K126-T142 CarbonylContact O-C 3.55Å; K126-T142 VanDerWaalsContact O-CA 3.3Å; K126-T142 WeakPolarHBondContact O-CA 3.03Å; K126-H143 HydrophobicContact CB-CB 4.29Å; K126-H143 PolarHBondContact N-ND1 2.87Å; K126-H143 PolarHBondContact O-N 3.46Å; K126-N158 WeakPolarHBondContact CE-OD1 3.31Å; K126-N158 PolarHBondContact NZ-OD1 2.66Å; K126-N158 VanDerWaalsContact NZ-OD1 3.11Å; K126-D159 WeakPolarHBondContact CA-O 3.35Å; K126-L223 PolarHBondContact NZ-O 3.37Å; K126-L223 VanDerWaalsContact NZ-O 3.07Å; K126-I226 WeakPolarHBondContact CD-O 3.19Å; K126-I226 WeakPolarHBondContact CE-O 3.31Å; K126-I226 PolarHBondContact NZ-O 3.22Å; K126-F227 HydrophobicContact CB-CD2 3.57Å; K126-F227 HydrophobicContact CB-CE2 3.51Å; K126-F227 HydrophobicContact CB-CG 4.45Å; K126-F227 HydrophobicContact CB-CZ 4.32Å; K126-F227 HydrophobicContact CD-CD2 4.42Å
127V97.9Very high96.7Very high0 Ų056.6 Ų56.60%032%0.32CS..EExtended strand (participates in β ladder)trans-77120.6174-179.70000109.2V130 I140 I155 N158 D159 I161V127-V130 HydrophobicContact CG1-CG2 3.87Å; V127-I140 HydrophobicContact CG1-CB 4.11Å; V127-I140 HydrophobicContact CG1-CG2 4.08Å; V127-I140 HydrophobicContact CG2-CD1 4.13Å; V127-I155 HydrophobicContact CG2-CG2 3.76Å; V127-N158 PolarHBondContact O-N 3.02Å; V127-D159 PolarHBondContact N-O 2.97Å; V127-I161 HydrophobicContact CG2-CD1 4.47Å; V127-I161 HydrophobicContact CG2-CG1 4.22Å; V127-I161 HydrophobicContact CG2-CG2 4Å
128K96.8Very high96.8Very high101 Ų10156.4 Ų56.444%0.43932%0.319SS..EExtended strand (participates in β ladder)trans-89.2-42175.9-79.6-176.4170.4157.30112.1V141 H143K128-V141 PolarHBondContact N-O 3.16Å; K128-H143 HydrophobicContact CD-CB 4.47Å; K128-H143 HydrophobicContact CG-CB 4.44Å; K128-H143 PolarHBondContact NZ-O 3.47Å
129K96.2Very high96.8Very high128 Ų12855.3 Ų55.356%0.55731%0.309SS*.EExtended strand (participates in β ladder)trans-144.7145.3-176.8-59.1-175.2179.3-174.40109.8L131 I140 V141K129-L131 HydrophobicContact CB-CD1 4.23Å; K129-L131 HydrophobicContact CB-CG 4.2Å; K129-L131 HydrophobicContact CD-CD1 4.31Å; K129-I140 WeakPolarHBondContact O-CA 3.37Å; K129-V141 HydrophobicContact CB-CB 4.29Å; K129-V141 HydrophobicContact CB-CG2 4.44Å; K129-V141 PolarHBondContact N-O 3.26Å; K129-V141 PolarHBondContact O-N 3.3Å
130V96.8Very high96.9Very high59 Ų5954.1 Ų54.136%0.35830%0.303SS..EExtended strand (participates in β ladder)trans-117124.7167.4-1750000105.6V127 I140 P157V127-V130 HydrophobicContact CG1-CG2 3.87Å; V130-I140 HydrophobicContact CB-CG2 4.4Å; V130-I140 HydrophobicContact CG1-CG2 4.23Å; V130-I140 HydrophobicContact CG2-CG2 3.88Å; V130-P157 HydrophobicContact CG2-CG 4.14Å
131L96.8Very high97Very high73 Ų7355.1 Ų55.138%0.38231%0.308SS..EExtended strand (participates in β ladder)trans-139.5161.6-172.2-65170.5000109.7K129 Y139K129-L131 HydrophobicContact CB-CD1 4.23Å; K129-L131 HydrophobicContact CB-CG 4.2Å; K129-L131 HydrophobicContact CD-CD1 4.31Å; L131-Y139 HydrophobicContact CB-CD1 4.41Å; L131-Y139 HydrophobicContact CB-CE1 3.78Å; L131-Y139 HydrophobicContact CB-CE2 3.92Å; L131-Y139 HydrophobicContact CD1-CE2 4.01Å; L131-Y139 WeakPolarHBondContact CD1-OH 3.5Å; L131-Y139 PolarHBondContact N-O 2.6Å; L131-Y139 PolarHBondContact O-N 2.74Å; L131-Y139 VanDerWaalsContact O-O 3.07Å
132V97.1Very high97Very high102 Ų10249.5 Ų49.562%0.61828%0.284SS*.EExtended strand (participates in β ladder)trans-109.9129.5171.4-1770000107.8G136V132-G136 VanDerWaalsContact CG1-C 3.49Å
133G95.4Very high96.9Very high26 Ų2648.4 Ų48.427%0.26828%0.28SS..  trans-89.6-175.8-179.900000112.3G136 V137G133-G136 PolarHBondContact O-N 2.96Å; G133-V137 PolarHBondContact N-O 2.93Å
134H95.8Very high96.8Very high193 Ų19348.6 Ų48.689%0.89428%0.281SS*.G310 helixtrans-56.5141.5169.6-176.575000110.8G136H134-G136 VanDerWaalsContact C-N 3.31Å; H134-G136 PolarHBondContact O-N 3.35Å
135G96.1Very high96.7Very high68 Ų6851.8 Ų51.870%0.70131%0.308SS*.G310 helixtrans7316.9-175.700000114.9V137G135-V137 VanDerWaalsContact C-N 3.26Å; G135-V137 PolarHBondContact O-N 3.25Å
136G94.9Very high96.6Very high54 Ų5454.4 Ų54.456%0.55732%0.318SS*.G310 helixtrans75.411.6176.700000114.6V132 G133 H134 P138V132-G136 VanDerWaalsContact CG1-C 3.49Å; G133-G136 PolarHBondContact O-N 2.96Å; H134-G136 VanDerWaalsContact C-N 3.31Å; H134-G136 PolarHBondContact O-N 3.35Å; G136-P138 VanDerWaalsContact O-CD 3.31Å; G136-P138 WeakPolarHBondContact O-CD 3.44Å
137V96.8Very high96.5Very high28 Ų2858.3 Ų58.317%0.1734%0.343CS..  trans-77.6116.7-175.7178.60000110.9G133 G135 R149 Y150G133-V137 PolarHBondContact N-O 2.93Å; G135-V137 VanDerWaalsContact C-N 3.26Å; G135-V137 PolarHBondContact O-N 3.25Å; V137-R149 HydrophobicContact CG1-CB 4.31Å; V137-R149 HydrophobicContact CG1-CG 4.48Å; V137-Y150 HydrophobicContact CG1-CD1 4.27Å; V137-Y150 HydrophobicContact CG1-CE1 3.73Å; V137-Y150 HydrophobicContact CG1-CE2 4.08Å; V137-Y150 HydrophobicContact CG2-CE1 4.39Å
138P97.3Very high96.5Very high50 Ų5059.3 Ų59.333%0.32535%0.348SS..EExtended strand (participates in β ladder)trans-71.8141.1176.129.6-33.8000111.1G136 Y150 P151G136-P138 VanDerWaalsContact O-CD 3.31Å; G136-P138 WeakPolarHBondContact O-CD 3.44Å; P138-Y150 PolarHBondContact O-N 2.9Å; P138-P151 HydrophobicContact CB-CG 4.46Å; P138-P151 VanDerWaalsContact O-CD 3.29Å; P138-P151 WeakPolarHBondContact O-CD 3.2Å
139Y97.4Very high96.4Very high62 Ų6262.5 Ų62.524%0.24336%0.357CS..EExtended strand (participates in β ladder)trans-146.6151.6173.969.5-85.5000112.3L131 V141 I148L131-Y139 HydrophobicContact CB-CD1 4.41Å; L131-Y139 HydrophobicContact CB-CE1 3.78Å; L131-Y139 HydrophobicContact CB-CE2 3.92Å; L131-Y139 HydrophobicContact CD1-CE2 4.01Å; L131-Y139 WeakPolarHBondContact CD1-OH 3.5Å; L131-Y139 PolarHBondContact N-O 2.6Å; L131-Y139 PolarHBondContact O-N 2.74Å; L131-Y139 VanDerWaalsContact O-O 3.07Å; Y139-V141 HydrophobicContact CD2-CG2 4.14Å; Y139-V141 HydrophobicContact CE2-CG2 3.87Å; Y139-I148 CarbonylContact C-O 3.52Å; Y139-I148 VanDerWaalsContact CA-O 3.23Å; Y139-I148 WeakPolarHBondContact CA-O 3.19Å; Y139-I148 WeakPolarHBondContact CB-O 3.24Å
140I97.6Very high96.4Very high0 Ų063.8 Ų63.80%036%0.36CS..EExtended strand (participates in β ladder)trans-107.6148.4172.957.3179.1000111.2V127 K129 V130 T147 I148 P151 I155 I161 V170V127-I140 HydrophobicContact CG1-CB 4.11Å; V127-I140 HydrophobicContact CG1-CG2 4.08Å; V127-I140 HydrophobicContact CG2-CD1 4.13Å; K129-I140 WeakPolarHBondContact O-CA 3.37Å; V130-I140 HydrophobicContact CB-CG2 4.4Å; V130-I140 HydrophobicContact CG1-CG2 4.23Å; V130-I140 HydrophobicContact CG2-CG2 3.88Å; I140-T147 VanDerWaalsContact O-CA 3.31Å; I140-T147 WeakPolarHBondContact O-CA 3.49Å; I140-I148 HydrophobicContact CD1-CB 4.31Å; I140-I148 HydrophobicContact CG1-CB 3.86Å; I140-I148 PolarHBondContact N-O 3.39Å; I140-I148 PolarHBondContact O-N 2.82Å; I140-P151 HydrophobicContact CD1-CB 4.14Å; I140-P151 HydrophobicContact CG1-CB 4.25Å; I140-P151 HydrophobicContact CG2-CB 3.83Å; I140-P151 HydrophobicContact CG2-CG 3.84Å; I140-I155 HydrophobicContact CD1-CG2 4.47Å; I140-I155 HydrophobicContact CG2-CG2 4.2Å; I140-I161 HydrophobicContact CD1-CD1 3.48Å; I140-I161 VanDerWaalsContact CD1-CD1 3.48Å; I140-I161 HydrophobicContact CD1-CG2 4.29Å; I140-V170 HydrophobicContact CD1-CG2 4.49Å
141V97.7Very high96.3Very high32 Ų3261.8 Ų61.819%0.19435%0.348CS..EExtended strand (participates in β ladder)trans-112.4126.5171.8-174.90000108.6K128 K129 Y139 R146 T147K128-V141 PolarHBondContact N-O 3.16Å; K129-V141 HydrophobicContact CB-CB 4.29Å; K129-V141 HydrophobicContact CB-CG2 4.44Å; K129-V141 PolarHBondContact N-O 3.26Å; K129-V141 PolarHBondContact O-N 3.3Å; Y139-V141 HydrophobicContact CD2-CG2 4.14Å; Y139-V141 HydrophobicContact CE2-CG2 3.87Å; V141-R146 WeakPolarHBondContact CA-O 3.28Å; V141-T147 HydrophobicContact CG2-CG2 4.29Å
142T97.6Very high96.2Very high1 Ų161.5 Ų61.51%0.00635%0.347CS..EExtended strand (participates in β ladder)trans-95.2167.8-177.653.30000112.8C125 K126 D144 A145 R146 I148 I161C125-T142 HydrophobicContact CB-CG2 3.63Å; K126-T142 CarbonylContact O-C 3.55Å; K126-T142 VanDerWaalsContact O-CA 3.3Å; K126-T142 WeakPolarHBondContact O-CA 3.03Å; T142-D144 VanDerWaalsContact C-N 3.26Å; T142-D144 VanDerWaalsContact CB-OD1 3.29Å; T142-D144 WeakPolarHBondContact CB-OD1 3.13Å; T142-D144 PolarHBondContact O-N 3.34Å; T142-D144 PolarHBondContact OG1-OD1 3.44Å; T142-A145 PolarHBondContact O-N 3.34Å; T142-R146 PolarHBondContact N-O 3.03Å; T142-R146 WeakPolarHBondContact OG1-CA 3.37Å; T142-R146 VanDerWaalsContact OG1-CB 3.24Å; T142-R146 WeakPolarHBondContact OG1-CB 3.28Å; T142-R146 PolarHBondContact OG1-N 2.76Å; T142-R146 PolarHBondContact OG1-O 2.86Å; T142-I148 HydrophobicContact CG2-CD1 4.46Å; T142-I161 HydrophobicContact CG2-CD1 3.61Å; T142-I161 HydrophobicContact CG2-CG1 4.35Å
143H96.6Very high96.1Very high23 Ų2362 Ų6211%0.10635%0.352CS..THydrogen-bonded Turntrans-61.6-32.1-179.176.4-58.4000114.5F87 K126 K128 A145 F227F87-H143 PolarHBondContact O-NE2 3.34Å; K126-H143 HydrophobicContact CB-CB 4.29Å; K126-H143 PolarHBondContact N-ND1 2.87Å; K126-H143 PolarHBondContact O-N 3.46Å; K128-H143 HydrophobicContact CD-CB 4.47Å; K128-H143 HydrophobicContact CG-CB 4.44Å; K128-H143 PolarHBondContact NZ-O 3.47Å; H143-A145 VanDerWaalsContact C-N 3.28Å; H143-F227 AromaticContact CE1-CE2 3.76Å; H143-F227 AromaticContact ND1-CE2 3.99Å; H143-F227 AromaticContact NE2-CE2 3.8Å
144D95.1Very high96.2Very high5 Ų564.7 Ų64.73%0.02736%0.361CS..THydrogen-bonded Turntrans-90.921.7174.564.6-47.9000112.5P36 K123 C125 T142 R146P36-D144 HydrophobicContact CB-CB 4.38Å; P36-D144 WeakPolarHBondContact CB-O 3.3Å; K123-D144 VanDerWaalsContact CE-OD2 3.23Å; K123-D144 WeakPolarHBondContact CE-OD2 3.47Å; K123-D144 IonicContact NZ-OD2 2.66Å; K123-D144 PolarHBondContact NZ-OD2 3Å; C125-D144 PolarHBondContact SG-OD1 3.49Å; T142-D144 VanDerWaalsContact C-N 3.26Å; T142-D144 VanDerWaalsContact CB-OD1 3.29Å; T142-D144 WeakPolarHBondContact CB-OD1 3.13Å; T142-D144 PolarHBondContact O-N 3.34Å; T142-D144 PolarHBondContact OG1-OD1 3.44Å; D144-R146 VanDerWaalsContact C-N 3.28Å; D144-R146 PolarHBondContact O-N 2.56Å; D144-R146 VanDerWaalsContact OD2-CD 3.23Å; D144-R146 WeakPolarHBondContact OD2-CD 3.48Å; D144-R146 WeakPolarHBondContact OD2-CG 3.3Å; D144-R146 IonicContact OD2-NE 3.33Å; D144-R146 PolarHBondContact OD2-NE 3.43Å
145A94.7Very high96.2Very high68 Ų6855.7 Ų55.756%0.56232%0.319SS*.  trans62.822.9171.700000115.9T142 H143T142-A145 PolarHBondContact O-N 3.34Å; H143-A145 VanDerWaalsContact C-N 3.28Å
146R95.5Very high96.2Very high54 Ų5458.1 Ų58.120%0.20431%0.31CS..  trans-79.2137.2166.4-55.7173.2175.4-108.5-1.8110.2D74 V141 T142 D144D74-R146 IonicContact OD2-CZ 2.57Å; D74-R146 IonicContact OD2-NH2 2.72Å; D74-R146 PolarHBondContact OD2-NH2 3.19Å; V141-R146 WeakPolarHBondContact CA-O 3.28Å; T142-R146 PolarHBondContact N-O 3.03Å; T142-R146 WeakPolarHBondContact OG1-CA 3.37Å; T142-R146 VanDerWaalsContact OG1-CB 3.24Å; T142-R146 WeakPolarHBondContact OG1-CB 3.28Å; T142-R146 PolarHBondContact OG1-N 2.76Å; T142-R146 PolarHBondContact OG1-O 2.86Å; D144-R146 VanDerWaalsContact C-N 3.28Å; D144-R146 PolarHBondContact O-N 2.56Å; D144-R146 VanDerWaalsContact OD2-CD 3.23Å; D144-R146 WeakPolarHBondContact OD2-CD 3.48Å; D144-R146 WeakPolarHBondContact OD2-CG 3.3Å; D144-R146 IonicContact OD2-NE 3.33Å; D144-R146 PolarHBondContact OD2-NE 3.43Å
147T96.9Very high96.3Very high97 Ų9758.6 Ų58.660%0.59530%0.304SS*.EExtended strand (participates in β ladder)trans-101.3119.3168.249.40000109.2I140 V141I140-T147 VanDerWaalsContact O-CA 3.31Å; I140-T147 WeakPolarHBondContact O-CA 3.49Å; V141-T147 HydrophobicContact CG2-CG2 4.29Å
148I96.4Very high96.3Very high21 Ų2158.7 Ų58.711%0.10830%0.303CS..EExtended strand (participates in β ladder)trans-116.7121.9178.5-53.5174.4000108.1Y139 I140 T142 I161 V163 V170Y139-I148 CarbonylContact C-O 3.52Å; Y139-I148 VanDerWaalsContact CA-O 3.23Å; Y139-I148 WeakPolarHBondContact CA-O 3.19Å; Y139-I148 WeakPolarHBondContact CB-O 3.24Å; I140-I148 HydrophobicContact CD1-CB 4.31Å; I140-I148 HydrophobicContact CG1-CB 3.86Å; I140-I148 PolarHBondContact N-O 3.39Å; I140-I148 PolarHBondContact O-N 2.82Å; T142-I148 HydrophobicContact CG2-CD1 4.46Å; I148-I161 HydrophobicContact CD1-CD1 3.66Å; I148-V163 HydrophobicContact CD1-CG1 4.49Å; I148-V163 HydrophobicContact CD1-CG2 3.85Å; I148-V170 HydrophobicContact CD1-CG2 3.96Å; I148-V170 HydrophobicContact CG2-CG2 4.15Å
149R96.1Very high96.3Very high168 Ų16856.6 Ų56.663%0.63429%0.289SS*.EExtended strand (participates in β ladder)trans-87.9156.4-179.4-61.6-173-65.1154.7-0.6110.8V137V137-R149 HydrophobicContact CG1-CB 4.31Å; V137-R149 HydrophobicContact CG1-CG 4.48Å
150Y95.3Very high96.3Very high155 Ų15553.7 Ų53.761%0.60828%0.278SS*.SBendtrans5352-179-52.7-72.7000113.3V137 P138V137-Y150 HydrophobicContact CG1-CD1 4.27Å; V137-Y150 HydrophobicContact CG1-CE1 3.73Å; V137-Y150 HydrophobicContact CG1-CE2 4.08Å; V137-Y150 HydrophobicContact CG2-CE1 4.39Å; P138-Y150 PolarHBondContact O-N 2.9Å
151P95.8Very high96.3Very high17 Ų1753.7 Ų53.711%0.1128%0.278CS..  trans-67.5158.5172.534.6-38.4000110.7P138 I140 I155P138-P151 HydrophobicContact CB-CG 4.46Å; P138-P151 VanDerWaalsContact O-CD 3.29Å; P138-P151 WeakPolarHBondContact O-CD 3.2Å; I140-P151 HydrophobicContact CD1-CB 4.14Å; I140-P151 HydrophobicContact CG1-CB 4.25Å; I140-P151 HydrophobicContact CG2-CB 3.83Å; I140-P151 HydrophobicContact CG2-CG 3.84Å; P151-I155 HydrophobicContact CB-CD1 4.15Å
152D94.9Very high96.2Very high68 Ų6853.2 Ų53.236%0.36427%0.273SS..  trans-55.9130.2166.6-176-37.4000109.8N154 I155 H173D152-N154 PolarHBondContact O-N 3.09Å; D152-N154 VanDerWaalsContact OD1-CB 3.22Å; D152-N154 WeakPolarHBondContact OD1-CB 3.29Å; D152-N154 PolarHBondContact OD1-N 2.95Å; D152-N154 PolarHBondContact OD1-ND2 3.19Å; D152-I155 HydrophobicContact CB-CD1 3.86Å; D152-I155 HydrophobicContact CB-CG1 4.09Å; D152-I155 WeakPolarHBondContact O-CB 3.48Å; D152-I155 PolarHBondContact O-N 2.88Å; D152-H173 IonicContact OD2-CE1 3.79Å
153P95.1Very high96.2Very high111 Ų11153.2 Ų53.272%0.72127%0.273SS*.THydrogen-bonded Turntrans-55.3-23.1179.4-26.534.7000115I155 K156P153-I155 VanDerWaalsContact C-N 3.29Å; P153-I155 PolarHBondContact O-N 2.76Å; P153-K156 PolarHBondContact O-NZ 3.04Å
154N95.6Very high96.3Very high83 Ų8353.5 Ų53.544%0.44428%0.276SS..THydrogen-bonded Turntrans-73.4-18178.2-66.3-57.6000113.6D152 K156D152-N154 PolarHBondContact O-N 3.09Å; D152-N154 VanDerWaalsContact OD1-CB 3.22Å; D152-N154 WeakPolarHBondContact OD1-CB 3.29Å; D152-N154 PolarHBondContact OD1-N 2.95Å; D152-N154 PolarHBondContact OD1-ND2 3.19Å; N154-K156 PolarHBondContact O-N 2.82Å
155I97Very high96.3Very high4 Ų454.2 Ų54.22%0.02128%0.28CS..  trans-72.9121.5-179.3-64.7167.2000109.8V127 I140 P151 D152 P153 I161 V170 H173V127-I155 HydrophobicContact CG2-CG2 3.76Å; I140-I155 HydrophobicContact CD1-CG2 4.47Å; I140-I155 HydrophobicContact CG2-CG2 4.2Å; P151-I155 HydrophobicContact CB-CD1 4.15Å; D152-I155 HydrophobicContact CB-CD1 3.86Å; D152-I155 HydrophobicContact CB-CG1 4.09Å; D152-I155 WeakPolarHBondContact O-CB 3.48Å; D152-I155 PolarHBondContact O-N 2.88Å; P153-I155 VanDerWaalsContact C-N 3.29Å; P153-I155 PolarHBondContact O-N 2.76Å; I155-I161 HydrophobicContact CD1-CG2 3.85Å; I155-I161 HydrophobicContact CG1-CG2 4.35Å; I155-I161 HydrophobicContact CG2-CG2 4.16Å; I155-V170 HydrophobicContact CD1-CG1 4.47Å; I155-H173 HydrophobicContact CD1-CB 4.31Å; I155-H173 HydrophobicContact CG1-CB 4.02Å
156K96.4Very high96.3Very high120 Ų12055.4 Ų55.452%0.52229%0.289SS..  trans-114.7166.8179.3-59.5-52.4179.7-157.30111.9P153 N154 D159P153-K156 PolarHBondContact O-NZ 3.04Å; N154-K156 PolarHBondContact O-N 2.82Å; K156-D159 PolarHBondContact N-OD2 3.32Å; K156-D159 VanDerWaalsContact O-CB 3.28Å; K156-D159 WeakPolarHBondContact O-CB 3.38Å; K156-D159 PolarHBondContact O-N 2.69Å
157P95.7Very high96.3Very high64 Ų6457 Ų5742%0.41631%0.305SS..THydrogen-bonded Turntrans-55.3143.9171.5-24.534.9000111.8V130 D159V130-P157 HydrophobicContact CG2-CG 4.14Å; P157-D159 PolarHBondContact O-N 3.03Å
158N96.5Very high96.2Very high29 Ų2953.5 Ų53.516%0.15529%0.289CS..THydrogen-bonded Turntrans73.8-10.5-174.3-55-64.9000117.2K126 V127 F176 L223K126-N158 WeakPolarHBondContact CE-OD1 3.31Å; K126-N158 PolarHBondContact NZ-OD1 2.66Å; K126-N158 VanDerWaalsContact NZ-OD1 3.11Å; V127-N158 PolarHBondContact O-N 3.02Å; N158-F176 HydrophobicContact CB-CB 4.11Å; N158-F176 HydrophobicContact CB-CD2 4.12Å; N158-F176 HydrophobicContact CB-CG 4.02Å; N158-L223 WeakPolarHBondContact ND2-CD2 3.25Å
159D97.2Very high96.1Very high7 Ų759.4 Ų59.44%0.03731%0.314CS..  trans-62.4158.3169-67.5-7.7000110.7K126 V127 K156 P157 I174 K175 F176K126-D159 WeakPolarHBondContact CA-O 3.35Å; V127-D159 PolarHBondContact N-O 2.97Å; K156-D159 PolarHBondContact N-OD2 3.32Å; K156-D159 VanDerWaalsContact O-CB 3.28Å; K156-D159 WeakPolarHBondContact O-CB 3.38Å; K156-D159 PolarHBondContact O-N 2.69Å; P157-D159 PolarHBondContact O-N 3.03Å; D159-I174 WeakPolarHBondContact CA-O 3.45Å; D159-I174 WeakPolarHBondContact CB-O 3.48Å; D159-K175 WeakPolarHBondContact OD1-CA 3.29Å; D159-F176 PolarHBondContact OD1-N 2.91Å
160T98Very high96.1Very high0 Ų053.6 Ų53.60%030%0.296CS..EExtended strand (participates in β ladder)trans-113.4129.3175.4-600000110.2L124 C125 H173 I174 F227 I228L124-T160 HydrophobicContact CB-CG2 3.71Å; L124-T160 HydrophobicContact CD1-CG2 4.3Å; L124-T160 HydrophobicContact CG-CG2 4.4Å; C125-T160 WeakPolarHBondContact O-CA 3.35Å; T160-H173 CarbonylContact O-C 3.56Å; T160-H173 VanDerWaalsContact O-CA 3.32Å; T160-H173 WeakPolarHBondContact O-CA 3.18Å; T160-I174 PolarHBondContact N-O 2.96Å; T160-I174 PolarHBondContact O-N 2.85Å; T160-F227 HydrophobicContact CG2-CE1 3.75Å; T160-F227 HydrophobicContact CG2-CZ 3.98Å; T160-I228 WeakPolarHBondContact CB-O 3.46Å; T160-I228 VanDerWaalsContact CG2-O 3.31Å; T160-I228 WeakPolarHBondContact CG2-O 3.4Å; T160-I228 WeakPolarHBondContact OG1-CB 3.44Å; T160-I228 PolarHBondContact OG1-N 3.41Å; T160-I228 PolarHBondContact OG1-O 3.07Å
161I97.5Very high96.2Very high0 Ų050.5 Ų50.50%029%0.29CS..EExtended strand (participates in β ladder)trans-105.1142.2176.952.4164000109.9L124 C125 V127 I140 T142 I148 I155 V163 V170 H173L124-I161 CarbonylContact C-O 3.5Å; L124-I161 WeakPolarHBondContact CA-O 3.14Å; C125-I161 HydrophobicContact CB-CD1 4.24Å; C125-I161 HydrophobicContact CB-CG1 3.89Å; C125-I161 PolarHBondContact N-O 3.33Å; C125-I161 WeakPolarHBondContact O-CG1 3.25Å; C125-I161 PolarHBondContact O-N 3.04Å; V127-I161 HydrophobicContact CG2-CD1 4.47Å; V127-I161 HydrophobicContact CG2-CG1 4.22Å; V127-I161 HydrophobicContact CG2-CG2 4Å; I140-I161 HydrophobicContact CD1-CD1 3.48Å; I140-I161 VanDerWaalsContact CD1-CD1 3.48Å; I140-I161 HydrophobicContact CD1-CG2 4.29Å; T142-I161 HydrophobicContact CG2-CD1 3.61Å; T142-I161 HydrophobicContact CG2-CG1 4.35Å; I148-I161 HydrophobicContact CD1-CD1 3.66Å; I155-I161 HydrophobicContact CD1-CG2 3.85Å; I155-I161 HydrophobicContact CG1-CG2 4.35Å; I155-I161 HydrophobicContact CG2-CG2 4.16Å; I161-V163 HydrophobicContact CD1-CG2 3.68Å; I161-V163 HydrophobicContact CG1-CG2 4.05Å; I161-V170 HydrophobicContact CB-CG1 3.99Å; I161-V170 HydrophobicContact CB-CG2 4.32Å; I161-V170 HydrophobicContact CD1-CG2 3.88Å; I161-V170 HydrophobicContact CG2-CG1 4.07Å; I161-V170 HydrophobicContact CG2-CG2 4.5Å; I161-H173 HydrophobicContact CG2-CB 3.99Å
162Q97.2Very high96.1Very high22 Ų2254 Ų5410%0.10331%0.308CS..EExtended strand (participates in β ladder)trans-90.4116.4167.5-174.5-179.727.800107.9Y122 L124 V170 L171 N172 W236Y122-Q162 HydrophobicContact CD2-CG 3.76Å; Y122-Q162 HydrophobicContact CG-CG 4.12Å; L124-Q162 HydrophobicContact CD2-CB 4.02Å; L124-Q162 HydrophobicContact CD2-CG 4.21Å; Q162-V170 CarbonylContact O-C 3.44Å; Q162-V170 WeakPolarHBondContact O-CA 3.46Å; Q162-L171 HydrophobicContact CB-CB 4.49Å; Q162-L171 HydrophobicContact CG-CB 4.36Å; Q162-L171 HydrophobicContact CG-CD1 4.33Å; Q162-L171 PolarHBondContact O-N 3.14Å; Q162-N172 HydrophobicContact CB-CB 4.32Å; Q162-N172 PolarHBondContact N-O 2.76Å; Q162-N172 PolarHBondContact OE1-ND2 2.92Å; Q162-W236 HydrophobicContact CB-CE3 4.06Å; Q162-W236 HydrophobicContact CB-CZ3 3.8Å
163V97.3Very high96.2Very high1 Ų152.8 Ų52.81%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-104.8127.2-179.2-179.20000108.6Y122 K123 C125 I148 I161 I165 K169Y122-V163 VanDerWaalsContact CA-O 3.29Å; Y122-V163 WeakPolarHBondContact CA-O 3.49Å; Y122-V163 WeakPolarHBondContact CB-O 3.4Å; K123-V163 PolarHBondContact N-O 3.32Å; K123-V163 PolarHBondContact O-N 3.16Å; C125-V163 HydrophobicContact CB-CG2 4.22Å; I148-V163 HydrophobicContact CD1-CG1 4.49Å; I148-V163 HydrophobicContact CD1-CG2 3.85Å; I161-V163 HydrophobicContact CD1-CG2 3.68Å; I161-V163 HydrophobicContact CG1-CG2 4.05Å; V163-I165 PolarHBondContact O-N 3.47Å; V163-K169 WeakPolarHBondContact CA-O 3.44Å
164D97.1Very high96.3Very high30 Ų3047.5 Ų47.516%0.1627%0.265CS..EExtended strand (participates in β ladder)trans-70.1125.7165.9173.338.9000109.4A166 T167 G168 K169 L171D164-A166 VanDerWaalsContact C-N 3.33Å; D164-A166 PolarHBondContact O-N 2.99Å; D164-A166 PolarHBondContact OD1-N 2.82Å; D164-T167 VanDerWaalsContact OD2-CB 3.24Å; D164-T167 WeakPolarHBondContact OD2-CB 3.16Å; D164-T167 WeakPolarHBondContact OD2-CG2 3.45Å; D164-T167 PolarHBondContact OD2-N 2.92Å; D164-T167 PolarHBondContact OD2-OG1 3.39Å; D164-G168 WeakPolarHBondContact O-CA 3.48Å; D164-G168 PolarHBondContact O-N 2.97Å; D164-K169 PolarHBondContact N-O 3.31Å; D164-L171 HydrophobicContact CB-CD1 4.01Å; D164-L171 HydrophobicContact CB-CD2 4.06Å; D164-L171 HydrophobicContact CB-CG 3.97Å
165I96.1Very high96.3Very high20 Ų2048.1 Ų48.110%0.10326%0.264CS..THydrogen-bonded Turntrans-70-34.4-173.1-73.8168.2000111.1D74 V90 A120 K121 K123 V163D74-I165 HydrophobicContact CB-CG2 4.14Å; D74-I165 VanDerWaalsContact O-CG2 3.24Å; D74-I165 WeakPolarHBondContact O-CG2 3.37Å; V90-I165 HydrophobicContact CB-CD1 3.96Å; V90-I165 HydrophobicContact CG2-CD1 3.79Å; A120-I165 VanDerWaalsContact O-CD1 3.28Å; A120-I165 WeakPolarHBondContact O-CD1 3.36Å; K121-I165 VanDerWaalsContact O-CB 3.3Å; K121-I165 WeakPolarHBondContact O-CB 3.47Å; K121-I165 PolarHBondContact O-N 2.89Å; K123-I165 HydrophobicContact CB-CD1 4.28Å; K123-I165 HydrophobicContact CG-CD1 4.42Å; K123-I165 HydrophobicContact CG-CG1 4.22Å; V163-I165 PolarHBondContact O-N 3.47Å
166A95.3Very high96.3Very high93 Ų9348.8 Ų48.877%0.76927%0.267SS*.THydrogen-bonded Turntrans-73-52.5-177.100000111.8D164D164-A166 VanDerWaalsContact C-N 3.33Å; D164-A166 PolarHBondContact O-N 2.99Å; D164-A166 PolarHBondContact OD1-N 2.82Å
167T95.1Very high96.2Very high86 Ų8647.2 Ų47.253%0.52826%0.262SS..THydrogen-bonded Turntrans-86.5-22.7-176.763.90000113.5D164 K169D164-T167 VanDerWaalsContact OD2-CB 3.24Å; D164-T167 WeakPolarHBondContact OD2-CB 3.16Å; D164-T167 WeakPolarHBondContact OD2-CG2 3.45Å; D164-T167 PolarHBondContact OD2-N 2.92Å; D164-T167 PolarHBondContact OD2-OG1 3.39Å; T167-K169 PolarHBondContact O-N 2.9Å; T167-K169 WeakPolarHBondContact OG1-CB 3.34Å; T167-K169 PolarHBondContact OG1-N 2.94Å
168G94Very high96.1Very high25 Ų2547.7 Ų47.726%0.25826%0.264SS..  trans71.77.7-171.300000114.2D164D164-G168 WeakPolarHBondContact O-CA 3.48Å; D164-G168 PolarHBondContact O-N 2.97Å
169K95.2Very high96.1Very high145 Ų14548.1 Ų48.163%0.6328%0.276SS*.  trans-81.3153.1178.1-65.1-179.8178.7-178.90111.1V163 D164 T167V163-K169 WeakPolarHBondContact CA-O 3.44Å; D164-K169 PolarHBondContact N-O 3.31Å; T167-K169 PolarHBondContact O-N 2.9Å; T167-K169 WeakPolarHBondContact OG1-CB 3.34Å; T167-K169 PolarHBondContact OG1-N 2.94Å
170V96.5Very high96Very high45 Ų4548 Ų4827%0.27328%0.276SS..EExtended strand (participates in β ladder)trans-80125171.71790000108.5I140 I148 I155 I161 Q162 N172I140-V170 HydrophobicContact CD1-CG2 4.49Å; I148-V170 HydrophobicContact CD1-CG2 3.96Å; I148-V170 HydrophobicContact CG2-CG2 4.15Å; I155-V170 HydrophobicContact CD1-CG1 4.47Å; I161-V170 HydrophobicContact CB-CG1 3.99Å; I161-V170 HydrophobicContact CB-CG2 4.32Å; I161-V170 HydrophobicContact CD1-CG2 3.88Å; I161-V170 HydrophobicContact CG2-CG1 4.07Å; I161-V170 HydrophobicContact CG2-CG2 4.5Å; Q162-V170 CarbonylContact O-C 3.44Å; Q162-V170 WeakPolarHBondContact O-CA 3.46Å; V170-N172 WeakPolarHBondContact CG1-O 3.35Å
171L95.7Very high96Very high91 Ų9149 Ų4948%0.47628%0.28SS..EExtended strand (participates in β ladder)trans-87-51.4175.6-62.8178.2000110.9Q162 D164Q162-L171 HydrophobicContact CB-CB 4.49Å; Q162-L171 HydrophobicContact CG-CB 4.36Å; Q162-L171 HydrophobicContact CG-CD1 4.33Å; Q162-L171 PolarHBondContact O-N 3.14Å; D164-L171 HydrophobicContact CB-CD1 4.01Å; D164-L171 HydrophobicContact CB-CD2 4.06Å; D164-L171 HydrophobicContact CB-CG 3.97Å
172N95.8Very high95.9Very high89 Ų8949 Ų4948%0.47628%0.281SS..EExtended strand (participates in β ladder)trans-146.5166.9-176.6-67.8-57.7000110.4Q162 V170 W236Q162-N172 HydrophobicContact CB-CB 4.32Å; Q162-N172 PolarHBondContact N-O 2.76Å; Q162-N172 PolarHBondContact OE1-ND2 2.92Å; V170-N172 WeakPolarHBondContact CG1-O 3.35Å; N172-W236 HydrophobicContact CB-CH2 3.53Å; N172-W236 HydrophobicContact CB-CZ2 4.43Å; N172-W236 HydrophobicContact CB-CZ3 3.83Å
173H96.5Very high95.9Very high43 Ų4348 Ų4820%0.19928%0.276CS..EExtended strand (participates in β ladder)trans-139157.6173.370.7-85.1000112.6D152 I155 T160 I161D152-H173 IonicContact OD2-CE1 3.79Å; I155-H173 HydrophobicContact CD1-CB 4.31Å; I155-H173 HydrophobicContact CG1-CB 4.02Å; T160-H173 CarbonylContact O-C 3.56Å; T160-H173 VanDerWaalsContact O-CA 3.32Å; T160-H173 WeakPolarHBondContact O-CA 3.18Å; I161-H173 HydrophobicContact CG2-CB 3.99Å
174I96.6Very high96Very high0 Ų048 Ų480%028%0.275CS..EExtended strand (participates in β ladder)trans-125.6127.3175-46.3179.5000108.5D159 T160 N180 I228 K231 W236D159-I174 WeakPolarHBondContact CA-O 3.45Å; D159-I174 WeakPolarHBondContact CB-O 3.48Å; T160-I174 PolarHBondContact N-O 2.96Å; T160-I174 PolarHBondContact O-N 2.85Å; I174-N180 WeakPolarHBondContact CG2-ND2 3.39Å; I174-I228 HydrophobicContact CB-CG2 4.13Å; I174-I228 HydrophobicContact CD1-CG2 4.21Å; I174-I228 HydrophobicContact CG2-CG2 3.65Å; I174-K231 HydrophobicContact CD1-CG 4.46Å; I174-K231 HydrophobicContact CG1-CG 4.37Å; I174-K231 HydrophobicContact CG2-CG 3.96Å; I174-W236 HydrophobicContact CD1-CD2 3.57Å; I174-W236 HydrophobicContact CD1-CE3 3.7Å; I174-W236 HydrophobicContact CD1-CG 4.19Å; I174-W236 HydrophobicContact CD1-CH2 3.87Å; I174-W236 HydrophobicContact CD1-CZ2 3.76Å; I174-W236 HydrophobicContact CD1-CZ3 3.83Å; I174-W236 HydrophobicContact CG1-CD2 4.1Å; I174-W236 HydrophobicContact CG1-CE3 3.92Å; I174-W236 HydrophobicContact CG1-CH2 3.22Å; I174-W236 HydrophobicContact CG1-CZ2 3.43Å; I174-W236 VanDerWaalsContact CG1-CZ2 3.43Å; I174-W236 HydrophobicContact CG1-CZ3 3.48Å; I174-W236 VanDerWaalsContact CG1-CZ3 3.48Å
175K96Very high95.9Very high97 Ų9748 Ų4842%0.42228%0.277SS..  trans-73.1144176.8-68.9-175.1177.4179.40111.7D159 E177 N180 I228D159-K175 WeakPolarHBondContact OD1-CA 3.29Å; K175-E177 PolarHBondContact O-N 2.57Å; K175-E177 VanDerWaalsContact O-N 3.16Å; K175-N180 PolarHBondContact O-ND2 2.8Å; K175-I228 WeakPolarHBondContact O-CD1 3.24Å
176F96Very high95.9Very high17 Ų1747.7 Ų47.78%0.07528%0.279CS..  trans-7596168.8-173.2-91.6000110.8N158 D159 I196 W199 V209 L223 I226 I228N158-F176 HydrophobicContact CB-CB 4.11Å; N158-F176 HydrophobicContact CB-CD2 4.12Å; N158-F176 HydrophobicContact CB-CG 4.02Å; D159-F176 PolarHBondContact OD1-N 2.91Å; F176-I196 HydrophobicContact CD2-CD1 4.24Å; F176-I196 HydrophobicContact CE2-CD1 3.74Å; F176-I196 HydrophobicContact CZ-CD1 4.18Å; F176-W199 HydrophobicContact CD1-CD2 4.3Å; F176-W199 AromaticContact CD1-CE3 3.92Å; F176-W199 HydrophobicContact CD1-CE3 3.92Å; F176-W199 HydrophobicContact CD1-CH2 4.19Å; F176-W199 AromaticContact CD1-CZ3 3.81Å; F176-W199 HydrophobicContact CD1-CZ3 3.81Å; F176-W199 AromaticContact CE1-CD2 3.64Å; F176-W199 HydrophobicContact CE1-CD2 3.64Å; F176-W199 AromaticContact CE1-CE2 3.97Å; F176-W199 AromaticContact CE1-CE3 3.68Å; F176-W199 HydrophobicContact CE1-CE3 3.68Å; F176-W199 HydrophobicContact CE1-CG 4.01Å; F176-W199 HydrophobicContact CE1-CH2 4.35Å; F176-W199 HydrophobicContact CE1-CZ2 4.36Å; F176-W199 HydrophobicContact CE1-CZ3 4Å; F176-V209 HydrophobicContact CZ-CG1 4.39Å; F176-V209 HydrophobicContact CZ-CG2 3.91Å; F176-L223 HydrophobicContact CD1-CD1 4.32Å; F176-L223 HydrophobicContact CE1-CD1 3.56Å; F176-L223 HydrophobicContact CE2-CD1 3.89Å; F176-L223 HydrophobicContact CZ-CD1 3.32Å; F176-I226 HydrophobicContact CE2-CB 4.26Å; F176-I226 HydrophobicContact CE2-CG2 3.7Å; F176-I228 HydrophobicContact CB-CD1 3.77Å; F176-I228 HydrophobicContact CD2-CD1 3.84Å; F176-I228 HydrophobicContact CD2-CG1 4.04Å; F176-I228 HydrophobicContact CG-CD1 4.27Å
177E93.9Very high95.9Very high88 Ų8846 Ų4641%0.41127%0.27SS..  trans-145.4154179.865.4-164.5166.200110.9K175 N180K175-E177 PolarHBondContact O-N 2.57Å; K175-E177 VanDerWaalsContact O-N 3.16Å; E177-N180 WeakPolarHBondContact CG-ND2 3.23Å; E177-N180 PolarHBondContact O-N 2.85Å; E177-N180 PolarHBondContact OE1-ND2 2.87Å
178P95.2Very high95.9Very high73 Ų7352.5 Ų52.547%0.47429%0.285SS..THydrogen-bonded Turntrans-53.8143.8167.4-24.135.1000111.8
179G95.3Very high96Very high38 Ų3852.6 Ų52.639%0.39228%0.28SS..THydrogen-bonded Turntrans98.2-23.9-17700000114.1I196 S232G179-I196 PolarHBondContact N-O 3.03Å; G179-S232 WeakPolarHBondContact O-CA 3.44Å
180N96.7Very high96.1Very high6 Ų647 Ų473%0.03226%0.257CS..SBendtrans-79.7148.6178.9-74.4-25.8000112.9I174 K175 E177 I196 I228 K231 S232I174-N180 WeakPolarHBondContact CG2-ND2 3.39Å; K175-N180 PolarHBondContact O-ND2 2.8Å; E177-N180 WeakPolarHBondContact CG-ND2 3.23Å; E177-N180 PolarHBondContact O-N 2.85Å; E177-N180 PolarHBondContact OE1-ND2 2.87Å; N180-I196 PolarHBondContact O-N 2.9Å; N180-I228 HydrophobicContact CB-CG2 4.02Å; N180-K231 WeakPolarHBondContact OD1-CA 3.42Å; N180-S232 PolarHBondContact OD1-N 3.26Å
181M96.3Very high96.1Very high20 Ų2044.9 Ų44.910%0.09924%0.244CC..EExtended strand (participates in β ladder)trans-78133.4179.4-172.9177.2-69.900110.5V193 G194 I228 I229 G230 S232 N233 P235M181-V193 HydrophobicContact CG-CG1 3.78Å; M181-V193 HydrophobicContact SD-CG1 3.81Å; M181-G194 CarbonylContact C-O 3.58Å; M181-G194 WeakPolarHBondContact CA-O 3.29Å; M181-I228 WeakPolarHBondContact O-CG2 3.23Å; M181-I229 HydrophobicContact CB-CG1 4.18Å; M181-I229 HydrophobicContact CG-CD1 3.89Å; M181-I229 HydrophobicContact CG-CG1 3.71Å; M181-I229 PolarHBondContact O-N 3.23Å; M181-I229 HydrophobicContact SD-CD1 3.94Å; M181-I229 HydrophobicContact SD-CG1 4.11Å; M181-G230 PolarHBondContact N-O 3.33Å; M181-G230 VanDerWaalsContact N-O 3.1Å; M181-G230 PolarHBondContact O-N 3.49Å; M181-S232 WeakPolarHBondContact CB-O 3.47Å; M181-S232 PolarHBondContact N-O 3.18Å; M181-N233 VanDerWaalsContact CE-C 3.48Å; M181-N233 VanDerWaalsContact CE-O 3.27Å; M181-N233 WeakPolarHBondContact CE-O 3.24Å; M181-P235 HydrophobicContact SD-CB 3.83Å; M181-P235 HydrophobicContact SD-CG 4.18Å
182C97Very high96.1Very high1 Ų141.8 Ų41.81%0.00723%0.226CC..EExtended strand (participates in β ladder)trans-131.4155.3179.472.60000112.9V193 G194 I196 I226 F227C182-V193 VanDerWaalsContact O-CA 3.28Å; C182-V193 WeakPolarHBondContact O-CA 3.45Å; C182-G194 PolarHBondContact N-O 3.19Å; C182-G194 PolarHBondContact O-N 3.44Å; C182-I196 HydrophobicContact CB-CD1 4.18Å; C182-I196 HydrophobicContact CB-CG1 4.08Å; C182-I226 HydrophobicContact CB-CG2 3.69Å; C182-F227 CarbonylContact C-O 3.59Å; C182-F227 WeakPolarHBondContact CA-O 3.48Å; C182-F227 WeakPolarHBondContact CB-O 3.48Å
183M97.3Very high96.2Very high0 Ų037.9 Ų37.90%021%0.205CC..EExtended strand (participates in β ladder)trans-111.8141166.4-178.8171.2-77.300109.6F87 I103 R192 V193 F227 I229 L239F87-M183 HydrophobicContact CE2-SD 3.49Å; F87-M183 WeakPolarHBondContact CE2-SD 3.24Å; F87-M183 HydrophobicContact CZ-CB 4.49Å; F87-M183 HydrophobicContact CZ-CG 4.32Å; F87-M183 HydrophobicContact CZ-SD 3.68Å; I103-M183 HydrophobicContact CD1-CE 3.62Å; I103-M183 HydrophobicContact CD1-SD 4.04Å; I103-M183 HydrophobicContact CG1-CE 3.69Å; I103-M183 HydrophobicContact CG1-SD 3.6Å; M183-R192 WeakPolarHBondContact CA-O 3.35Å; M183-V193 HydrophobicContact CB-CG2 4.14Å; M183-V193 HydrophobicContact CE-CG2 3.34Å; M183-V193 HydrophobicContact CG-CG2 4.17Å; M183-F227 PolarHBondContact N-O 3.12Å; M183-F227 PolarHBondContact O-N 3.08Å; M183-I229 HydrophobicContact CB-CD1 4.23Å; M183-I229 HydrophobicContact CB-CG2 3.92Å; M183-L239 HydrophobicContact CE-CD2 4.41Å
184V97.6Very high96.2Very high0 Ų036.1 Ų36.10%020%0.198CC..EExtended strand (participates in β ladder)trans-83.6124.5173.5-176.40000110.4G186 N189 G191 R192 F219 T221 N225V184-G186 WeakPolarHBondContact CG1-O 3.34Å; V184-N189 VanDerWaalsContact CB-O 3.27Å; V184-N189 WeakPolarHBondContact CB-O 3.4Å; V184-N189 HydrophobicContact CG1-CB 4.15Å; V184-N189 WeakPolarHBondContact CG1-O 2.99Å; V184-N189 HydrophobicContact CG2-CB 4.31Å; V184-G191 PolarHBondContact O-N 3.12Å; V184-R192 HydrophobicContact CG2-CB 4.43Å; V184-R192 PolarHBondContact N-O 3.23Å; V184-F219 HydrophobicContact CG2-CE2 3.57Å; V184-F219 HydrophobicContact CG2-CZ 4.13Å; V184-T221 HydrophobicContact CG1-CG2 3.94Å; V184-T221 HydrophobicContact CG2-CG2 4.12Å; V184-N225 CarbonylContact C-O 3.56Å; V184-N225 VanDerWaalsContact CA-O 3.3Å; V184-N225 WeakPolarHBondContact CA-O 3.47Å; V184-N225 HydrophobicContact CG1-CB 4.26Å
185T97Very high96.2Very high32 Ų3237.6 Ų37.620%0.19621%0.208CC..  trans-103.9-1.2-177.358.30000114.3F87 Y104 L190 N225 F227F87-T185 HydrophobicContact CD1-CG2 3.84Å; F87-T185 HydrophobicContact CE1-CG2 3.6Å; F87-T185 HydrophobicContact CE2-CG2 4.35Å; F87-T185 HydrophobicContact CG-CG2 4.34Å; F87-T185 HydrophobicContact CZ-CG2 3.87Å; Y104-T185 HydrophobicContact CE2-CG2 4.37Å; T185-L190 WeakPolarHBondContact O-CD1 3.49Å; T185-N225 PolarHBondContact N-O 2.95Å; T185-N225 PolarHBondContact OG1-O 2.87Å; T185-N225 VanDerWaalsContact OG1-O 3.11Å; T185-F227 HydrophobicContact CG2-CB 3.59Å; T185-F227 HydrophobicContact CG2-CD2 4.37Å; T185-F227 HydrophobicContact CG2-CG 4.28Å
186G95.6Very high96.3Very high13 Ų1333.1 Ų33.113%0.13419%0.188CC..SBendtrans-159.1166.5179.300000114.5V184 N225V184-G186 WeakPolarHBondContact CG1-O 3.34Å; G186-N225 PolarHBondContact O-ND2 3.17Å
187G95.4Very high96.3Very high58 Ų5834.6 Ų34.660%0.59820%0.198SC*.SBendtrans77.5-164.8177.300000114.6N189 L190G187-N189 VanDerWaalsContact C-N 3.26Å; G187-N189 PolarHBondContact O-N 3.46Å; G187-L190 WeakPolarHBondContact O-CB 3.31Å; G187-L190 PolarHBondContact O-N 2.84Å
188R95.2Very high96.3Very high222 Ų22235.2 Ų35.284%0.83820%0.201SC*.THydrogen-bonded Turntrans-65.5-27.5-174.4-177.6173.5173.9158.2-2.1113.7R246R188-R246 PolarHBondContact O-NH1 3.38Å
189N96.2Very high96.3Very high26 Ų2634.8 Ų34.814%0.13919%0.19CC..THydrogen-bonded Turntrans-93.911.9-178.1-67.7-39.4000113.3V184 G187 G191 R192 F219 V220 T221V184-N189 VanDerWaalsContact CB-O 3.27Å; V184-N189 WeakPolarHBondContact CB-O 3.4Å; V184-N189 HydrophobicContact CG1-CB 4.15Å; V184-N189 WeakPolarHBondContact CG1-O 2.99Å; V184-N189 HydrophobicContact CG2-CB 4.31Å; G187-N189 VanDerWaalsContact C-N 3.26Å; G187-N189 PolarHBondContact O-N 3.46Å; N189-G191 PolarHBondContact O-N 3.05Å; N189-R192 WeakPolarHBondContact O-CB 3.23Å; N189-R192 WeakPolarHBondContact O-CG 3.22Å; N189-R192 PolarHBondContact O-N 3.32Å; N189-R192 VanDerWaalsContact O-N 3.11Å; N189-F219 HydrophobicContact CB-CD2 3.87Å; N189-F219 HydrophobicContact CB-CE2 4.1Å; N189-F219 WeakPolarHBondContact ND2-CD2 3.39Å; N189-V220 PolarHBondContact ND2-O 3.18Å; N189-V220 VanDerWaalsContact ND2-O 3.15Å; N189-T221 HydrophobicContact CB-CG2 3.75Å
190L96.6Very high96.3Very high29 Ų2936 Ų3615%0.15219%0.186CC..THydrogen-bonded Turntrans-47.6130.7-179.7178.965.5000112.9Y104 T185 G187 R192Y104-L190 HydrophobicContact CD1-CD1 3.98Å; Y104-L190 HydrophobicContact CD1-CD2 4.33Å; Y104-L190 HydrophobicContact CD1-CG 4.29Å; Y104-L190 HydrophobicContact CD2-CD1 3.66Å; Y104-L190 HydrophobicContact CE1-CD1 4.17Å; Y104-L190 HydrophobicContact CE1-CD2 4.43Å; Y104-L190 HydrophobicContact CE2-CD1 3.86Å; Y104-L190 HydrophobicContact CG-CD1 3.73Å; Y104-L190 HydrophobicContact CG-CG 4.26Å; T185-L190 WeakPolarHBondContact O-CD1 3.49Å; G187-L190 WeakPolarHBondContact O-CB 3.31Å; G187-L190 PolarHBondContact O-N 2.84Å; L190-R192 VanDerWaalsContact C-N 3.28Å; L190-R192 PolarHBondContact O-N 2.95Å
191G96.1Very high96.1Very high0 Ų043.4 Ų43.40%021%0.213CC..THydrogen-bonded Turntrans80.4-0.7178.500000115.4D105 V184 N189D105-G191 WeakPolarHBondContact O-CA 3.42Å; V184-G191 PolarHBondContact O-N 3.12Å; N189-G191 PolarHBondContact O-N 3.05Å
192R97Very high96Very high25 Ų2546.2 Ų46.29%0.09423%0.226CC..  trans-73.2146.7169.8-66-176.875.7175.83.1110.9M183 V184 N189 L190 D213 F219 G244 R246M183-R192 WeakPolarHBondContact CA-O 3.35Å; V184-R192 HydrophobicContact CG2-CB 4.43Å; V184-R192 PolarHBondContact N-O 3.23Å; N189-R192 WeakPolarHBondContact O-CB 3.23Å; N189-R192 WeakPolarHBondContact O-CG 3.22Å; N189-R192 PolarHBondContact O-N 3.32Å; N189-R192 VanDerWaalsContact O-N 3.11Å; L190-R192 VanDerWaalsContact C-N 3.28Å; L190-R192 PolarHBondContact O-N 2.95Å; R192-D213 IonicContact CZ-OD2 3.62Å; R192-D213 IonicContact NH2-OD2 2.74Å; R192-D213 PolarHBondContact NH2-OD2 3.47Å; R192-F219 HydrophobicContact CB-CE1 4.23Å; R192-F219 HydrophobicContact CB-CE2 4.38Å; R192-F219 HydrophobicContact CB-CZ 3.77Å; R192-F219 VanDerWaalsContact NH1-CD1 3.29Å; R192-G244 VanDerWaalsContact CA-O 3.29Å; R192-G244 WeakPolarHBondContact CA-O 3.46Å; R192-R246 HydrophobicContact CG-CB 3.98Å
193V96.9Very high95.6Very high8 Ų852.4 Ų52.45%0.04827%0.266CS..EExtended strand (participates in β ladder)trans-120.1140.7174.91760000109.2M181 C182 M183 D213 I229 L239 G244M181-V193 HydrophobicContact CG-CG1 3.78Å; M181-V193 HydrophobicContact SD-CG1 3.81Å; C182-V193 VanDerWaalsContact O-CA 3.28Å; C182-V193 WeakPolarHBondContact O-CA 3.45Å; M183-V193 HydrophobicContact CB-CG2 4.14Å; M183-V193 HydrophobicContact CE-CG2 3.34Å; M183-V193 HydrophobicContact CG-CG2 4.17Å; V193-D213 WeakPolarHBondContact O-CB 3.42Å; V193-I229 HydrophobicContact CG1-CD1 3.75Å; V193-I229 HydrophobicContact CG2-CD1 4.16Å; V193-L239 HydrophobicContact CG1-CD1 4.31Å; V193-L239 HydrophobicContact CG2-CD2 4.31Å; V193-G244 PolarHBondContact N-O 3.24Å
194G96.2Very high95.3Very high5 Ų557 Ų575%0.05231%0.314CS..EExtended strand (participates in β ladder)trans-169.8-179.1175.800000112.1M181 C182 R212M181-G194 CarbonylContact C-O 3.58Å; M181-G194 WeakPolarHBondContact CA-O 3.29Å; C182-G194 PolarHBondContact N-O 3.19Å; C182-G194 PolarHBondContact O-N 3.44Å; G194-R212 CarbonylContact C-O 3.42Å; G194-R212 WeakPolarHBondContact CA-O 3.43Å
195T97Very high94.9Very high32 Ų3261 Ų6120%0.19634%0.342CS..EExtended strand (participates in β ladder)trans-94.2137.4174.155.90000109.8T197 V211 R212 N233T195-T197 PolarHBondContact O-N 2.88Å; T195-V211 WeakPolarHBondContact O-CA 3.47Å; T195-R212 PolarHBondContact N-O 3.12Å; T195-R212 PolarHBondContact O-N 3.34Å; T195-R212 PolarHBondContact OG1-O 3.4Å; T195-N233 WeakPolarHBondContact CG2-OD1 3.47Å
196I97Very high94.6Very high3 Ų362.3 Ų62.32%0.01535%0.35CS..EExtended strand (participates in β ladder)trans-67.8124174.2-60.6170.8000108.2F176 G179 N180 C182 V209 I226F176-I196 HydrophobicContact CD2-CD1 4.24Å; F176-I196 HydrophobicContact CE2-CD1 3.74Å; F176-I196 HydrophobicContact CZ-CD1 4.18Å; G179-I196 PolarHBondContact N-O 3.03Å; N180-I196 PolarHBondContact O-N 2.9Å; C182-I196 HydrophobicContact CB-CD1 4.18Å; C182-I196 HydrophobicContact CB-CG1 4.08Å; I196-V209 HydrophobicContact CB-CG1 4.49Å; I196-V209 HydrophobicContact CG1-CG1 4.22Å; I196-V209 HydrophobicContact CG2-CG1 3.66Å; I196-I226 HydrophobicContact CD1-CG2 4.04Å
197T96.3Very high94.5Very high47 Ų4764.3 Ų64.329%0.28836%0.356SS..EExtended strand (participates in β ladder)trans-96.4-45.6177.652.80000111.6T195 H210 R212T195-T197 PolarHBondContact O-N 2.88Å; T197-H210 PolarHBondContact N-O 3.2Å; T197-H210 WeakPolarHBondContact OG1-CB 3.36Å; T197-H210 PolarHBondContact OG1-O 3.21Å; T197-R212 HydrophobicContact CG2-CB 3.61Å
198Q95.6Very high94.6Very high102 Ų10264.3 Ų64.348%0.47734%0.34SS..EExtended strand (participates in β ladder)trans-147.3143.4-175.5-177177.7-17.600110.4E200 H210Q198-E200 HydrophobicContact CG-CG 4.4Å; Q198-H210 HydrophobicContact CB-CB 4.14Å; Q198-H210 PolarHBondContact O-N 2.81Å
199W94.8Very high94.7Very high64 Ų6453.7 Ų53.724%0.24230%0.301CS..EExtended strand (participates in β ladder)trans-115111.5173.2174.219.8000109.2F176 R201 E207F176-W199 HydrophobicContact CD1-CD2 4.3Å; F176-W199 AromaticContact CD1-CE3 3.92Å; F176-W199 HydrophobicContact CD1-CE3 3.92Å; F176-W199 HydrophobicContact CD1-CH2 4.19Å; F176-W199 AromaticContact CD1-CZ3 3.81Å; F176-W199 HydrophobicContact CD1-CZ3 3.81Å; F176-W199 AromaticContact CE1-CD2 3.64Å; F176-W199 HydrophobicContact CE1-CD2 3.64Å; F176-W199 AromaticContact CE1-CE2 3.97Å; F176-W199 AromaticContact CE1-CE3 3.68Å; F176-W199 HydrophobicContact CE1-CE3 3.68Å; F176-W199 HydrophobicContact CE1-CG 4.01Å; F176-W199 HydrophobicContact CE1-CH2 4.35Å; F176-W199 HydrophobicContact CE1-CZ2 4.36Å; F176-W199 HydrophobicContact CE1-CZ3 4Å; W199-R201 HydrophobicContact CD2-CG 4.14Å; W199-R201 HydrophobicContact CG-CG 4.41Å; W199-R201 VanDerWaalsContact CH2-NE 3.32Å; W199-R201 HydrophobicContact CZ2-CG 4Å; W199-E207 WeakPolarHBondContact CZ2-OE2 3.41Å; W199-E207 PolarHBondContact NE1-OE2 3.27Å
200E94.2Very high94.8Very high62 Ų6254.3 Ų54.329%0.2930%0.303SS..EExtended strand (participates in β ladder)trans-92.6112176.1-70.4176.6173.600109.6Q198 H202 E207 M208 H210Q198-E200 HydrophobicContact CG-CG 4.4Å; E200-H202 IonicContact OE2-NE2 3.55Å; E200-E207 WeakPolarHBondContact O-CA 3.48Å; E200-M208 HydrophobicContact CB-CB 4.26Å; E200-M208 PolarHBondContact N-O 3.23Å; E200-M208 PolarHBondContact O-N 2.7Å; E200-H210 IonicContact OE1-CD2 2.75Å; E200-H210 IonicContact OE1-CE1 3.08Å; E200-H210 IonicContact OE1-NE2 3.04Å; E200-H210 PolarHBondContact OE1-NE2 3.14Å; E200-H210 IonicContact OE2-NE2 2.73Å; E200-H210 PolarHBondContact OE2-NE2 3.48Å
201R93.2Very high94.8Very high162 Ų16253 Ų5361%0.61130%0.296SS*.  trans-90.5127.2175.8-66-179.6178.8175.82.5109.2W199W199-R201 HydrophobicContact CD2-CG 4.14Å; W199-R201 HydrophobicContact CG-CG 4.41Å; W199-R201 VanDerWaalsContact CH2-NE 3.32Å; W199-R201 HydrophobicContact CZ2-CG 4Å
202H93.2Very high94.8Very high79 Ų7958.1 Ų58.137%0.36632%0.315SS..  trans-121.798.4174.1-59.7-65.1000108.3E200 G204 S205E200-H202 IonicContact OE2-NE2 3.55Å; H202-G204 PolarHBondContact O-N 3.36Å; H202-S205 CarbonylContact O-C 3.56Å; H202-S205 PolarHBondContact O-N 3.04Å
203P89.4Confident94.7Very high132 Ų13257.2 Ų57.286%0.85731%0.312SS*.THydrogen-bonded Turntrans-52.9128.3179.5-26.134.7000111.5S205P203-S205 PolarHBondContact O-N 2.87Å
204G89.9Confident94.5Very high97 Ų9761.7 Ų61.7100%134%0.343SS*.THydrogen-bonded Turntrans75.6-4.1-17800000115.6H202H202-G204 PolarHBondContact O-N 3.36Å
205S89.5Confident94.4Very high84 Ų8465 Ų6559%0.58736%0.363SS*.SBendtrans-122.7-176.5179.1-168.80000111.3H202 P203 E207H202-S205 CarbonylContact O-C 3.56Å; H202-S205 PolarHBondContact O-N 3.04Å; P203-S205 PolarHBondContact O-N 2.87Å; S205-E207 PolarHBondContact O-N 2.91Å
206V90.9Very high94.3Very high59 Ų5965.5 Ų65.536%0.35838%0.375SS..  trans-79.1120.4-179.5-174.80000109.4R222V206-R222 HydrophobicContact CG1-CB 3.83Å; V206-R222 HydrophobicContact CG1-CG 3.56Å
207E94.8Very high94.2Very high55 Ų5569.7 Ų69.726%0.25739%0.394SS..  trans-69.5140.3174.7-59-178.8-175.200112W199 E200 S205 R222 L223W199-E207 WeakPolarHBondContact CZ2-OE2 3.41Å; W199-E207 PolarHBondContact NE1-OE2 3.27Å; E200-E207 WeakPolarHBondContact O-CA 3.48Å; S205-E207 PolarHBondContact O-N 2.91Å; E207-R222 WeakPolarHBondContact O-CA 3.37Å; E207-L223 HydrophobicContact CB-CB 4.04Å; E207-L223 HydrophobicContact CB-CD2 4.36Å; E207-L223 PolarHBondContact O-N 3.08Å; E207-L223 VanDerWaalsContact OE2-CD2 3.25Å; E207-L223 WeakPolarHBondContact OE2-CD2 3.39Å
208M96.3Very high94.1Very high57 Ų5773.2 Ų73.228%0.28141%0.407SS..EExtended strand (participates in β ladder)trans-114.4143.7-174.6-63-62.3-83.800110.2E200 V220 R222E200-M208 HydrophobicContact CB-CB 4.26Å; E200-M208 PolarHBondContact N-O 3.23Å; E200-M208 PolarHBondContact O-N 2.7Å; M208-V220 HydrophobicContact CB-CG1 4.05Å; M208-V220 HydrophobicContact CE-CB 4.48Å; M208-V220 HydrophobicContact CE-CG1 3.57Å; M208-R222 HydrophobicContact SD-CG 3.99Å
209V97.3Very high94.2Very high0 Ų069 Ų690%039%0.387CS..EExtended strand (participates in β ladder)trans-129.7121.9-176.7-174.30000108.6F176 I196 V211 V220 T221 L223 I226F176-V209 HydrophobicContact CZ-CG1 4.39Å; F176-V209 HydrophobicContact CZ-CG2 3.91Å; I196-V209 HydrophobicContact CB-CG1 4.49Å; I196-V209 HydrophobicContact CG1-CG1 4.22Å; I196-V209 HydrophobicContact CG2-CG1 3.66Å; V209-V211 HydrophobicContact CG1-CG2 4.2Å; V209-V220 WeakPolarHBondContact O-CA 3.29Å; V209-T221 PolarHBondContact N-O 3.39Å; V209-T221 PolarHBondContact O-N 3.08Å; V209-L223 HydrophobicContact CG2-CB 4.36Å; V209-L223 HydrophobicContact CG2-CD1 4.05Å; V209-I226 HydrophobicContact CB-CD1 4.25Å; V209-I226 HydrophobicContact CB-CG1 3.86Å; V209-I226 HydrophobicContact CG1-CD1 4.14Å; V209-I226 HydrophobicContact CG1-CG1 4Å; V209-I226 HydrophobicContact CG2-CG1 4.03Å
210H97.6Very high94.3Very high39 Ų3968.7 Ų68.718%0.18139%0.392CS..EExtended strand (participates in β ladder)trans-85.8131.5173.2-66-91.3000109.5T197 Q198 E200 V220T197-H210 PolarHBondContact N-O 3.2Å; T197-H210 WeakPolarHBondContact OG1-CB 3.36Å; T197-H210 PolarHBondContact OG1-O 3.21Å; Q198-H210 HydrophobicContact CB-CB 4.14Å; Q198-H210 PolarHBondContact O-N 2.81Å; E200-H210 IonicContact OE1-CD2 2.75Å; E200-H210 IonicContact OE1-CE1 3.08Å; E200-H210 IonicContact OE1-NE2 3.04Å; E200-H210 PolarHBondContact OE1-NE2 3.14Å; E200-H210 IonicContact OE2-NE2 2.73Å; E200-H210 PolarHBondContact OE2-NE2 3.48Å; H210-V220 WeakPolarHBondContact ND1-CG2 3.4Å
211V97.3Very high94.4Very high1 Ų166.2 Ų66.21%0.00638%0.381CS..EExtended strand (participates in β ladder)trans-129.9136.6-177.7-177.30000108.9T195 V209 Q218 F219 I226T195-V211 WeakPolarHBondContact O-CA 3.47Å; V209-V211 HydrophobicContact CG1-CG2 4.2Å; V211-Q218 CarbonylContact O-C 3.58Å; V211-Q218 WeakPolarHBondContact O-CA 3.39Å; V211-F219 HydrophobicContact CB-CD2 4.19Å; V211-F219 HydrophobicContact CB-CE1 4.15Å; V211-F219 HydrophobicContact CB-CE2 3.64Å; V211-F219 HydrophobicContact CB-CZ 3.65Å; V211-F219 HydrophobicContact CG1-CE1 3.94Å; V211-F219 HydrophobicContact CG1-CE2 3.92Å; V211-F219 HydrophobicContact CG1-CZ 3.43Å; V211-F219 VanDerWaalsContact CG1-CZ 3.43Å; V211-F219 HydrophobicContact CG2-CE2 4.17Å; V211-F219 PolarHBondContact N-O 3.49Å; V211-F219 PolarHBondContact O-N 2.85Å; V211-I226 HydrophobicContact CG2-CD1 3.7Å
212R96.9Very high94.6Very high108 Ų10865.2 Ų65.241%0.40838%0.378SS..EExtended strand (participates in β ladder)trans-113.3126.9173.7-174.7-177.3-63.3162.3-0.5109.2G194 T195 T197 H217 Q218G194-R212 CarbonylContact C-O 3.42Å; G194-R212 WeakPolarHBondContact CA-O 3.43Å; T195-R212 PolarHBondContact N-O 3.12Å; T195-R212 PolarHBondContact O-N 3.34Å; T195-R212 PolarHBondContact OG1-O 3.4Å; T197-R212 HydrophobicContact CG2-CB 3.61Å; R212-H217 WeakPolarHBondContact CA-O 3.45Å; R212-Q218 HydrophobicContact CB-CG 4.27Å; R212-Q218 HydrophobicContact CG-CG 4.18Å
213D95.2Very high94.7Very high6 Ų662.2 Ų62.23%0.03236%0.364CS..  trans-81.7172.6173.263.827.4000112.2R192 V193 T215 G216 H217 F219R192-D213 IonicContact CZ-OD2 3.62Å; R192-D213 IonicContact NH2-OD2 2.74Å; R192-D213 PolarHBondContact NH2-OD2 3.47Å; V193-D213 WeakPolarHBondContact O-CB 3.42Å; D213-T215 PolarHBondContact O-N 2.97Å; D213-T215 PolarHBondContact OD1-N 3.2Å; D213-T215 VanDerWaalsContact OD1-N 3.17Å; D213-T215 PolarHBondContact OD1-OG1 3.41Å; D213-T215 PolarHBondContact OD2-OG1 3Å; D213-G216 PolarHBondContact O-N 3.23Å; D213-G216 PolarHBondContact OD1-N 2.73Å; D213-G216 VanDerWaalsContact OD1-N 3.11Å; D213-H217 PolarHBondContact N-O 3.12Å; D213-H217 WeakPolarHBondContact OD1-CB 3.35Å; D213-H217 IonicContact OD1-CD2 3.88Å; D213-H217 IonicContact OD1-CG 3.98Å; D213-H217 PolarHBondContact OD1-N 2.92Å; D213-H217 WeakPolarHBondContact OD2-CB 3.4Å; D213-H217 IonicContact OD2-CD2 3.78Å; D213-F219 HydrophobicContact CB-CE1 4.49Å
214S93Very high95Very high101 Ų10161.6 Ų61.671%0.70635%0.353SS*.THydrogen-bonded Turntrans-67.8-13.6-17861.20000113.9G216 I245S214-G216 VanDerWaalsContact C-N 3.34Å; S214-I245 WeakPolarHBondContact OG-CD1 3.17Å
215T93.7Very high95.3Very high75 Ų7558.9 Ų58.946%0.4632%0.316SS..THydrogen-bonded Turntrans-89.3-2.517338.90000112.6D213 H217 I245D213-T215 PolarHBondContact O-N 2.97Å; D213-T215 PolarHBondContact OD1-N 3.2Å; D213-T215 VanDerWaalsContact OD1-N 3.17Å; D213-T215 PolarHBondContact OD1-OG1 3.41Å; D213-T215 PolarHBondContact OD2-OG1 3Å; T215-H217 PolarHBondContact OG1-CD2 2.73Å; T215-H217 VanDerWaalsContact OG1-CD2 3.29Å; T215-I245 HydrophobicContact CG2-CD1 4.26Å; T215-I245 HydrophobicContact CG2-CG2 3.96Å
216G93.4Very high95.7Very high43 Ų4354.9 Ų54.944%0.44329%0.288SS..SBendtrans88.5-2.1179.100000114.6D213 S214 Q218D213-G216 PolarHBondContact O-N 3.23Å; D213-G216 PolarHBondContact OD1-N 2.73Å; D213-G216 VanDerWaalsContact OD1-N 3.11Å; S214-G216 VanDerWaalsContact C-N 3.34Å; G216-Q218 PolarHBondContact O-N 3.06Å
217H94.9Very high96Very high91 Ų9152.2 Ų52.242%0.42127%0.272SS..  trans-70.4131.8175.9-58.1-61.6000110.3R212 D213 T215R212-H217 WeakPolarHBondContact CA-O 3.45Å; D213-H217 PolarHBondContact N-O 3.12Å; D213-H217 WeakPolarHBondContact OD1-CB 3.35Å; D213-H217 IonicContact OD1-CD2 3.88Å; D213-H217 IonicContact OD1-CG 3.98Å; D213-H217 PolarHBondContact OD1-N 2.92Å; D213-H217 WeakPolarHBondContact OD2-CB 3.4Å; D213-H217 IonicContact OD2-CD2 3.78Å; T215-H217 PolarHBondContact OG1-CD2 2.73Å; T215-H217 VanDerWaalsContact OG1-CD2 3.29Å
218Q96Very high96.1Very high120 Ų12049.6 Ų49.656%0.56126%0.26SS*.EExtended strand (participates in β ladder)trans-100.8144.8177.6-61.1-177.312.100110.6V211 R212 G216V211-Q218 CarbonylContact O-C 3.58Å; V211-Q218 WeakPolarHBondContact O-CA 3.39Å; R212-Q218 HydrophobicContact CB-CG 4.27Å; R212-Q218 HydrophobicContact CG-CG 4.18Å; G216-Q218 PolarHBondContact O-N 3.06Å
219F96.9Very high96.2Very high15 Ų1546.9 Ų46.97%0.06625%0.246CC..EExtended strand (participates in β ladder)trans-153.9157.1174.660.3-88.7000110.9V184 N189 R192 V211 D213 T221V184-F219 HydrophobicContact CG2-CE2 3.57Å; V184-F219 HydrophobicContact CG2-CZ 4.13Å; N189-F219 HydrophobicContact CB-CD2 3.87Å; N189-F219 HydrophobicContact CB-CE2 4.1Å; N189-F219 WeakPolarHBondContact ND2-CD2 3.39Å; R192-F219 HydrophobicContact CB-CE1 4.23Å; R192-F219 HydrophobicContact CB-CE2 4.38Å; R192-F219 HydrophobicContact CB-CZ 3.77Å; R192-F219 VanDerWaalsContact NH1-CD1 3.29Å; V211-F219 HydrophobicContact CB-CD2 4.19Å; V211-F219 HydrophobicContact CB-CE1 4.15Å; V211-F219 HydrophobicContact CB-CE2 3.64Å; V211-F219 HydrophobicContact CB-CZ 3.65Å; V211-F219 HydrophobicContact CG1-CE1 3.94Å; V211-F219 HydrophobicContact CG1-CE2 3.92Å; V211-F219 HydrophobicContact CG1-CZ 3.43Å; V211-F219 VanDerWaalsContact CG1-CZ 3.43Å; V211-F219 HydrophobicContact CG2-CE2 4.17Å; V211-F219 PolarHBondContact N-O 3.49Å; V211-F219 PolarHBondContact O-N 2.85Å; D213-F219 HydrophobicContact CB-CE1 4.49Å; F219-T221 HydrophobicContact CD2-CG2 4.14Å; F219-T221 HydrophobicContact CE2-CG2 4.33Å
220V97Very high96.1Very high57 Ų5746.9 Ų46.935%0.34525%0.246SC..EExtended strand (participates in β ladder)trans-112.1143.1-178-1650000110.6N189 M208 V209 H210N189-V220 PolarHBondContact ND2-O 3.18Å; N189-V220 VanDerWaalsContact ND2-O 3.15Å; M208-V220 HydrophobicContact CB-CG1 4.05Å; M208-V220 HydrophobicContact CE-CB 4.48Å; M208-V220 HydrophobicContact CE-CG1 3.57Å; V209-V220 WeakPolarHBondContact O-CA 3.29Å; H210-V220 WeakPolarHBondContact ND1-CG2 3.4Å
221T97.2Very high95.9Very high10 Ų1050.3 Ų50.36%0.06126%0.26CS..EExtended strand (participates in β ladder)trans-142.9163.1169.263.30000111.2V184 N189 V209 F219 I226V184-T221 HydrophobicContact CG1-CG2 3.94Å; V184-T221 HydrophobicContact CG2-CG2 4.12Å; N189-T221 HydrophobicContact CB-CG2 3.75Å; V209-T221 PolarHBondContact N-O 3.39Å; V209-T221 PolarHBondContact O-N 3.08Å; F219-T221 HydrophobicContact CD2-CG2 4.14Å; F219-T221 HydrophobicContact CE2-CG2 4.33Å; T221-I226 WeakPolarHBondContact OG1-CD1 3.45Å
222R96.2Very high95.5Very high141 Ų14153.9 Ų53.953%0.53229%0.285SS..EExtended strand (participates in β ladder)trans-68146.2172.2-60.4178171.6-167.81.5110.3V206 E207 M208 N224 N225V206-R222 HydrophobicContact CG1-CB 3.83Å; V206-R222 HydrophobicContact CG1-CG 3.56Å; E207-R222 WeakPolarHBondContact O-CA 3.37Å; M208-R222 HydrophobicContact SD-CG 3.99Å; R222-N224 PolarHBondContact O-N 2.89Å; R222-N224 VanDerWaalsContact O-N 3.07Å; R222-N225 PolarHBondContact O-N 3.2Å
223L95.8Very high95Very high15 Ų1554.9 Ų54.98%0.07930%0.299CS..G310 helixtrans-46.5-41.3175.3-178.374.5000113.6K126 N158 F176 E207 V209 N225 I226K126-L223 PolarHBondContact NZ-O 3.37Å; K126-L223 VanDerWaalsContact NZ-O 3.07Å; N158-L223 WeakPolarHBondContact ND2-CD2 3.25Å; F176-L223 HydrophobicContact CD1-CD1 4.32Å; F176-L223 HydrophobicContact CE1-CD1 3.56Å; F176-L223 HydrophobicContact CE2-CD1 3.89Å; F176-L223 HydrophobicContact CZ-CD1 3.32Å; E207-L223 HydrophobicContact CB-CB 4.04Å; E207-L223 HydrophobicContact CB-CD2 4.36Å; E207-L223 PolarHBondContact O-N 3.08Å; E207-L223 VanDerWaalsContact OE2-CD2 3.25Å; E207-L223 WeakPolarHBondContact OE2-CD2 3.39Å; V209-L223 HydrophobicContact CG2-CB 4.36Å; V209-L223 HydrophobicContact CG2-CD1 4.05Å; L223-N225 PolarHBondContact O-N 2.9Å; L223-N225 VanDerWaalsContact O-N 3.16Å; L223-I226 PolarHBondContact O-N 3.49Å
224N94.8Very high94.9Very high119 Ų11962.4 Ų62.464%0.63633%0.331SS*.G310 helixtrans-59.4-29.2-178.8-72.2-12.1000113.4R222R222-N224 PolarHBondContact O-N 2.89Å; R222-N224 VanDerWaalsContact O-N 3.07Å
225N96.8Very high95Very high40 Ų4059.5 Ų59.521%0.21431%0.31CS..G310 helixtrans-89.1-4.4-178.1-63.3-17.7000112.8V184 T185 G186 R222 L223V184-N225 CarbonylContact C-O 3.56Å; V184-N225 VanDerWaalsContact CA-O 3.3Å; V184-N225 WeakPolarHBondContact CA-O 3.47Å; V184-N225 HydrophobicContact CG1-CB 4.26Å; T185-N225 PolarHBondContact N-O 2.95Å; T185-N225 PolarHBondContact OG1-O 2.87Å; T185-N225 VanDerWaalsContact OG1-O 3.11Å; G186-N225 PolarHBondContact O-ND2 3.17Å; R222-N225 PolarHBondContact O-N 3.2Å; L223-N225 PolarHBondContact O-N 2.9Å; L223-N225 VanDerWaalsContact O-N 3.16Å
226I97.2Very high95.1Very high1 Ų158.5 Ų58.51%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-88.5132.9178.1-62.7-67.7000109.8K126 F176 C182 I196 V209 V211 T221 L223K126-I226 WeakPolarHBondContact CD-O 3.19Å; K126-I226 WeakPolarHBondContact CE-O 3.31Å; K126-I226 PolarHBondContact NZ-O 3.22Å; F176-I226 HydrophobicContact CE2-CB 4.26Å; F176-I226 HydrophobicContact CE2-CG2 3.7Å; C182-I226 HydrophobicContact CB-CG2 3.69Å; I196-I226 HydrophobicContact CD1-CG2 4.04Å; V209-I226 HydrophobicContact CB-CD1 4.25Å; V209-I226 HydrophobicContact CB-CG1 3.86Å; V209-I226 HydrophobicContact CG1-CD1 4.14Å; V209-I226 HydrophobicContact CG1-CG1 4Å; V209-I226 HydrophobicContact CG2-CG1 4.03Å; V211-I226 HydrophobicContact CG2-CD1 3.7Å; T221-I226 WeakPolarHBondContact OG1-CD1 3.45Å; L223-I226 PolarHBondContact O-N 3.49Å
227F97.7Very high95.2Very high3 Ų356.8 Ų56.81%0.01328%0.279CS..EExtended strand (participates in β ladder)trans-128.9122.8171.5-170.4-72.5000109.1F87 M88 L124 K126 H143 T160 C182 M183 T185 I229F87-F227 HydrophobicContact CD1-CD2 4.04Å; F87-F227 HydrophobicContact CD1-CE2 4.11Å; F87-F227 HydrophobicContact CD1-CG 4.49Å; F87-F227 HydrophobicContact CE1-CB 4.15Å; F87-F227 AromaticContact CE1-CD1 3.87Å; F87-F227 HydrophobicContact CE1-CD1 3.87Å; F87-F227 AromaticContact CE1-CD2 3.58Å; F87-F227 HydrophobicContact CE1-CD2 3.58Å; F87-F227 HydrophobicContact CE1-CE1 4.14Å; F87-F227 AromaticContact CE1-CE2 3.83Å; F87-F227 HydrophobicContact CE1-CE2 3.83Å; F87-F227 AromaticContact CE1-CG 3.61Å; F87-F227 HydrophobicContact CE1-CG 3.61Å; F87-F227 HydrophobicContact CE1-CZ 4.12Å; F87-F227 HydrophobicContact CZ-CD1 4.46Å; F87-F227 HydrophobicContact CZ-CG 4.4Å; M88-F227 HydrophobicContact CG-CE1 4.25Å; M88-F227 HydrophobicContact CG-CE2 4.4Å; M88-F227 HydrophobicContact CG-CZ 3.89Å; L124-F227 HydrophobicContact CB-CE1 3.77Å; L124-F227 HydrophobicContact CB-CZ 3.84Å; L124-F227 HydrophobicContact CD1-CE1 4.3Å; K126-F227 HydrophobicContact CB-CD2 3.57Å; K126-F227 HydrophobicContact CB-CE2 3.51Å; K126-F227 HydrophobicContact CB-CG 4.45Å; K126-F227 HydrophobicContact CB-CZ 4.32Å; K126-F227 HydrophobicContact CD-CD2 4.42Å; H143-F227 AromaticContact CE1-CE2 3.76Å; H143-F227 AromaticContact ND1-CE2 3.99Å; H143-F227 AromaticContact NE2-CE2 3.8Å; T160-F227 HydrophobicContact CG2-CE1 3.75Å; T160-F227 HydrophobicContact CG2-CZ 3.98Å; C182-F227 CarbonylContact C-O 3.59Å; C182-F227 WeakPolarHBondContact CA-O 3.48Å; C182-F227 WeakPolarHBondContact CB-O 3.48Å; M183-F227 PolarHBondContact N-O 3.12Å; M183-F227 PolarHBondContact O-N 3.08Å; T185-F227 HydrophobicContact CG2-CB 3.59Å; T185-F227 HydrophobicContact CG2-CD2 4.37Å; T185-F227 HydrophobicContact CG2-CG 4.28Å; F227-I229 HydrophobicContact CD1-CG2 3.78Å; F227-I229 HydrophobicContact CE1-CG2 4.26Å
228I97.6Very high95.2Very high0 Ų054.1 Ų54.10%027%0.271CS..EExtended strand (participates in β ladder)trans-78.3132-178.8-46.9171.9000108.5T160 I174 K175 F176 N180 M181T160-I228 WeakPolarHBondContact CB-O 3.46Å; T160-I228 VanDerWaalsContact CG2-O 3.31Å; T160-I228 WeakPolarHBondContact CG2-O 3.4Å; T160-I228 WeakPolarHBondContact OG1-CB 3.44Å; T160-I228 PolarHBondContact OG1-N 3.41Å; T160-I228 PolarHBondContact OG1-O 3.07Å; I174-I228 HydrophobicContact CB-CG2 4.13Å; I174-I228 HydrophobicContact CD1-CG2 4.21Å; I174-I228 HydrophobicContact CG2-CG2 3.65Å; K175-I228 WeakPolarHBondContact O-CD1 3.24Å; F176-I228 HydrophobicContact CB-CD1 3.77Å; F176-I228 HydrophobicContact CD2-CD1 3.84Å; F176-I228 HydrophobicContact CD2-CG1 4.04Å; F176-I228 HydrophobicContact CG-CD1 4.27Å; N180-I228 HydrophobicContact CB-CG2 4.02Å; M181-I228 WeakPolarHBondContact O-CG2 3.23Å
229I97.1Very high95.1Very high0 Ų050.1 Ų50.10%025%0.253CS..EExtended strand (participates in β ladder)trans-119.1-9.1-177.563.1177.6000112.9L124 M181 M183 V193 F227 P235 W236 I237 L239L124-I229 HydrophobicContact CD1-CB 4.39Å; M181-I229 HydrophobicContact CB-CG1 4.18Å; M181-I229 HydrophobicContact CG-CD1 3.89Å; M181-I229 HydrophobicContact CG-CG1 3.71Å; M181-I229 PolarHBondContact O-N 3.23Å; M181-I229 HydrophobicContact SD-CD1 3.94Å; M181-I229 HydrophobicContact SD-CG1 4.11Å; M183-I229 HydrophobicContact CB-CD1 4.23Å; M183-I229 HydrophobicContact CB-CG2 3.92Å; V193-I229 HydrophobicContact CG1-CD1 3.75Å; V193-I229 HydrophobicContact CG2-CD1 4.16Å; F227-I229 HydrophobicContact CD1-CG2 3.78Å; F227-I229 HydrophobicContact CE1-CG2 4.26Å; I229-P235 HydrophobicContact CD1-CB 4.48Å; I229-W236 WeakPolarHBondContact O-CB 3.43Å; I229-W236 PolarHBondContact O-N 3.1Å; I229-I237 HydrophobicContact CB-CD1 4.23Å; I229-I237 HydrophobicContact CB-CG1 4.34Å; I229-I237 HydrophobicContact CG2-CD1 4.02Å; I229-L239 HydrophobicContact CD1-CD2 3.69Å
230G95.5Very high94.9Very high0 Ų049.7 Ų49.70%025%0.251CS..EExtended strand (participates in β ladder)trans-172.3166.7-176.900000113.6M181 K234M181-G230 PolarHBondContact N-O 3.33Å; M181-G230 VanDerWaalsContact N-O 3.1Å; M181-G230 PolarHBondContact O-N 3.49Å; G230-K234 VanDerWaalsContact CA-O 3.25Å; G230-K234 WeakPolarHBondContact CA-O 3.22Å
231K93.6Very high94.6Very high110 Ų11054.8 Ų54.848%0.47827%0.269SS..EExtended strand (participates in β ladder)trans-90.9131.6172.8-69.4-175.2177-1770109.3I174 N180 N233 K234 W236I174-K231 HydrophobicContact CD1-CG 4.46Å; I174-K231 HydrophobicContact CG1-CG 4.37Å; I174-K231 HydrophobicContact CG2-CG 3.96Å; N180-K231 WeakPolarHBondContact OD1-CA 3.42Å; K231-N233 PolarHBondContact O-N 3.45Å; K231-K234 PolarHBondContact N-O 3.2Å; K231-K234 PolarHBondContact O-N 3.14Å; K231-W236 HydrophobicContact CD-CZ2 4.42Å; K231-W236 HydrophobicContact CG-CZ2 4.47Å
232S88.9Confident94.2Very high76 Ų7657 Ų5753%0.53128%0.281SS..THydrogen-bonded Turntrans50.7-123.7-178.4-45.40000111.5G179 N180 M181G179-S232 WeakPolarHBondContact O-CA 3.44Å; N180-S232 PolarHBondContact OD1-N 3.26Å; M181-S232 WeakPolarHBondContact CB-O 3.47Å; M181-S232 PolarHBondContact N-O 3.18Å
233N86.5Confident94Very high130 Ų13059.3 Ų59.370%0.69529%0.289SS*.THydrogen-bonded Turntrans-93.16.3180-74.2-14.1000114.9M181 T195 K231 P235M181-N233 VanDerWaalsContact CE-C 3.48Å; M181-N233 VanDerWaalsContact CE-O 3.27Å; M181-N233 WeakPolarHBondContact CE-O 3.24Å; T195-N233 WeakPolarHBondContact CG2-OD1 3.47Å; K231-N233 PolarHBondContact O-N 3.45Å; N233-P235 WeakPolarHBondContact O-CD 3.46Å
234K93.1Very high93.8Very high163 Ų16358.6 Ų58.671%0.70929%0.285SS*.EExtended strand (participates in β ladder)trans-108.2104.1-175.7-170.1174.6-179.1177.70111.2G230 K231G230-K234 VanDerWaalsContact CA-O 3.25Å; G230-K234 WeakPolarHBondContact CA-O 3.22Å; K231-K234 PolarHBondContact N-O 3.2Å; K231-K234 PolarHBondContact O-N 3.14Å
235P95Very high93.8Very high41 Ų4154.5 Ų54.527%0.26626%0.263SS..EExtended strand (participates in β ladder)trans-67.6141.2173.730.1-34.1000110.2M181 I229 N233 I237 L239M181-P235 HydrophobicContact SD-CB 3.83Å; M181-P235 HydrophobicContact SD-CG 4.18Å; I229-P235 HydrophobicContact CD1-CB 4.48Å; N233-P235 WeakPolarHBondContact O-CD 3.46Å; P235-I237 WeakPolarHBondContact CB-O 3.24Å; P235-I237 PolarHBondContact O-N 3.23Å; P235-L239 HydrophobicContact CB-CD2 4.33Å; P235-L239 HydrophobicContact CB-CG 4.33Å; P235-L239 HydrophobicContact CG-CD1 4.19Å; P235-L239 HydrophobicContact CG-CG 4.21Å
236W95.6Very high93.7Very high53 Ų5357.6 Ų57.620%0.20127%0.272CS..SBendtrans-78.30.1170.1-71.57.1000112.3Y122 L124 Q162 N172 I174 I229 K231Y122-W236 WeakPolarHBondContact CE2-O 3.35Å; Y122-W236 PolarHBondContact OH-O 3.35Å; L124-W236 HydrophobicContact CD1-CB 4.27Å; L124-W236 HydrophobicContact CD2-CB 4.31Å; L124-W236 HydrophobicContact CD2-CE3 3.71Å; L124-W236 HydrophobicContact CD2-CZ3 4.5Å; Q162-W236 HydrophobicContact CB-CE3 4.06Å; Q162-W236 HydrophobicContact CB-CZ3 3.8Å; N172-W236 HydrophobicContact CB-CH2 3.53Å; N172-W236 HydrophobicContact CB-CZ2 4.43Å; N172-W236 HydrophobicContact CB-CZ3 3.83Å; I174-W236 HydrophobicContact CD1-CD2 3.57Å; I174-W236 HydrophobicContact CD1-CE3 3.7Å; I174-W236 HydrophobicContact CD1-CG 4.19Å; I174-W236 HydrophobicContact CD1-CH2 3.87Å; I174-W236 HydrophobicContact CD1-CZ2 3.76Å; I174-W236 HydrophobicContact CD1-CZ3 3.83Å; I174-W236 HydrophobicContact CG1-CD2 4.1Å; I174-W236 HydrophobicContact CG1-CE3 3.92Å; I174-W236 HydrophobicContact CG1-CH2 3.22Å; I174-W236 HydrophobicContact CG1-CZ2 3.43Å; I174-W236 VanDerWaalsContact CG1-CZ2 3.43Å; I174-W236 HydrophobicContact CG1-CZ3 3.48Å; I174-W236 VanDerWaalsContact CG1-CZ3 3.48Å; I229-W236 WeakPolarHBondContact O-CB 3.43Å; I229-W236 PolarHBondContact O-N 3.1Å; K231-W236 HydrophobicContact CD-CZ2 4.42Å; K231-W236 HydrophobicContact CG-CZ2 4.47Å
237I95.8Very high93.5Very high7 Ų760.3 Ų60.34%0.03629%0.286CS..SBendtrans-135.7152-179.363.9177.2000111.2M88 I103 E119 Y122 L124 I229 P235 L239M88-I237 HydrophobicContact CE-CD1 3.78Å; M88-I237 HydrophobicContact CE-CG2 3.68Å; M88-I237 HydrophobicContact SD-CD1 3.64Å; I103-I237 HydrophobicContact CD1-CD1 3.63Å; E119-I237 WeakPolarHBondContact OE1-CA 3.49Å; Y122-I237 HydrophobicContact CE2-CG2 4.46Å; L124-I237 HydrophobicContact CD1-CG2 3.73Å; L124-I237 HydrophobicContact CG-CG2 3.87Å; I229-I237 HydrophobicContact CB-CD1 4.23Å; I229-I237 HydrophobicContact CB-CG1 4.34Å; I229-I237 HydrophobicContact CG2-CD1 4.02Å; P235-I237 WeakPolarHBondContact CB-O 3.24Å; P235-I237 PolarHBondContact O-N 3.23Å; I237-L239 HydrophobicContact CG1-CD2 4.43Å; I237-L239 PolarHBondContact O-N 3.5Å
238S95.4Very high93.3Very high36 Ų3662.7 Ų62.725%0.25230%0.303SS..PPolyproline II helixtrans-65.3129168.852.80000110.5I115 E119I115-S238 WeakPolarHBondContact CG2-OG 3.04Å; E119-S238 VanDerWaalsContact CD-OG 3.29Å; E119-S238 PolarHBondContact OE1-N 3.43Å; E119-S238 PolarHBondContact OE1-OG 3.43Å; E119-S238 WeakPolarHBondContact OE2-CB 3.31Å; E119-S238 PolarHBondContact OE2-OG 3.4Å
239L94.2Very high93.2Very high35 Ų3569.8 Ų69.818%0.18334%0.34CS..PPolyproline II helixtrans-88.8148.7179.9-61.7-179000110.9M183 V193 I229 P235 I237 R243M183-L239 HydrophobicContact CE-CD2 4.41Å; V193-L239 HydrophobicContact CG1-CD1 4.31Å; V193-L239 HydrophobicContact CG2-CD2 4.31Å; I229-L239 HydrophobicContact CD1-CD2 3.69Å; P235-L239 HydrophobicContact CB-CD2 4.33Å; P235-L239 HydrophobicContact CB-CG 4.33Å; P235-L239 HydrophobicContact CG-CD1 4.19Å; P235-L239 HydrophobicContact CG-CG 4.21Å; I237-L239 HydrophobicContact CG1-CD2 4.43Å; I237-L239 PolarHBondContact O-N 3.5Å; L239-R243 HydrophobicContact CD1-CB 4.03Å; L239-R243 HydrophobicContact CD1-CG 4.49Å
240P92.3Very high93.1Very high6 Ų675.5 Ų75.54%0.03937%0.369CS..PPolyproline II helixtrans-66.5172.517530.6-36.8000111.7I103 A111 N242 R243I103-P240 HydrophobicContact CG2-CB 4.08Å; I103-P240 HydrophobicContact CG2-CG 4.02Å; A111-P240 HydrophobicContact CB-CB 4.2Å; P240-N242 PolarHBondContact O-N 2.71Å; P240-R243 WeakPolarHBondContact O-CA 3.17Å; P240-R243 PolarHBondContact O-N 2.72Å
241K89.5Confident93.1Very high164 Ų16479.5 Ų79.571%0.71339%0.388SS*.G310 helixtrans-47.1136.6176-171.2172.7-177.5170.10111.3R243K241-R243 VanDerWaalsContact C-N 3.26Å; K241-R243 PolarHBondContact O-N 3.03Å
242N89.3Confident93Very high58 Ų5877 Ų7731%0.3138%0.377SS..G310 helixtrans68.710.2-173.8-42.8-59.3000115.6P240 G244 I245 K255P240-N242 PolarHBondContact O-N 2.71Å; N242-G244 PolarHBondContact O-N 2.65Å; N242-I245 WeakPolarHBondContact O-CB 3.27Å; N242-I245 WeakPolarHBondContact O-CG1 3.08Å; N242-I245 PolarHBondContact O-N 2.94Å; N242-K255 PolarHBondContact OD1-NZ 2.92Å
243R92.5Very high93.3Very high188 Ų18881.5 Ų81.571%0.70938%0.383SS*.G310 helixtrans53.728.2173-58.3-177.6-179.5171.70.1114.6L239 P240 K241 I245L239-R243 HydrophobicContact CD1-CB 4.03Å; L239-R243 HydrophobicContact CD1-CG 4.49Å; P240-R243 WeakPolarHBondContact O-CA 3.17Å; P240-R243 PolarHBondContact O-N 2.72Å; K241-R243 VanDerWaalsContact C-N 3.26Å; K241-R243 PolarHBondContact O-N 3.03Å; R243-I245 VanDerWaalsContact C-N 3.35Å
244G92.4Very high93.7Very high0 Ų079 Ų790%037%0.369CS..G310 helixtrans7910.3-177.800000115.4T106 R192 V193 N242T106-G244 WeakPolarHBondContact CG2-O 3.49Å; R192-G244 VanDerWaalsContact CA-O 3.29Å; R192-G244 WeakPolarHBondContact CA-O 3.46Å; V193-G244 PolarHBondContact N-O 3.24Å; N242-G244 PolarHBondContact O-N 2.65Å
245I94.8Very high93.7Very high34 Ų3476 Ų7617%0.17436%0.356CS..  trans-80.9121.6174.8-57.7165.6000109.4S214 T215 N242 R243S214-I245 WeakPolarHBondContact OG-CD1 3.17Å; T215-I245 HydrophobicContact CG2-CD1 4.26Å; T215-I245 HydrophobicContact CG2-CG2 3.96Å; N242-I245 WeakPolarHBondContact O-CB 3.27Å; N242-I245 WeakPolarHBondContact O-CG1 3.08Å; N242-I245 PolarHBondContact O-N 2.94Å; R243-I245 VanDerWaalsContact C-N 3.35Å
246R93.9Very high93.6Very high105 Ų10580.3 Ų80.340%0.39637%0.367SS..  trans-94.8103.2178-176.5176.1179.4165.5-0109.9T106 R188 R192T106-R246 HydrophobicContact CG2-CB 4.5Å; R188-R246 PolarHBondContact O-NH1 3.38Å; R192-R246 HydrophobicContact CG-CB 3.98Å
247L93.7Very high93.5Very high57 Ų5780.7 Ų80.730%0.29837%0.373SS..  trans-63.2151.2173.5-60.8176.9000111.6E251 E252 K255L247-E251 WeakPolarHBondContact CA-OE2 3.37Å; L247-E251 HydrophobicContact CB-CB 3.99Å; L247-E251 HydrophobicContact CD2-CB 4.38Å; L247-E251 WeakPolarHBondContact CD2-OE2 3.35Å; L247-E252 HydrophobicContact CB-CB 4.45Å; L247-K255 HydrophobicContact CD1-CD 3.78Å
248S93.6Very high93.4Very high54 Ų5488.6 Ų88.638%0.37840%0.402SS..  trans-65.4163.4168.6800000111I250 E251 E252S248-I250 PolarHBondContact O-N 3.05Å; S248-E251 PolarHBondContact N-OE2 2.74Å; S248-E251 PolarHBondContact O-N 3.12Å; S248-E251 WeakPolarHBondContact OG-CB 3.33Å; S248-E251 VanDerWaalsContact OG-CG 3.26Å; S248-E251 WeakPolarHBondContact OG-CG 3.43Å; S248-E251 PolarHBondContact OG-N 3.08Å; S248-E251 VanDerWaalsContact OG-N 3.14Å; S248-E252 WeakPolarHBondContact O-CB 3.38Å; S248-E252 PolarHBondContact O-N 2.91Å
249I94.5Very high93.3Very high149 Ų14989.7 Ų89.776%0.76441%0.413SS*.Hα-helixtrans-61.1-36.7179.1-63.9171.2000110.6R253I249-R253 WeakPolarHBondContact O-CB 3.3Å; I249-R253 PolarHBondContact O-N 3.5Å
250I95.7Very high93.2Very high120 Ų12096.9 Ų96.962%0.61544%0.438SS*.Hα-helixtrans-68.7-51.4179.2-60.2172.7000109.6S248 E252 R253 D254S248-I250 PolarHBondContact O-N 3.05Å; I250-E252 VanDerWaalsContact C-N 3.29Å; I250-E252 PolarHBondContact O-N 3.29Å; I250-R253 WeakPolarHBondContact O-CB 3.43Å; I250-R253 PolarHBondContact O-N 3.31Å; I250-R253 VanDerWaalsContact O-N 3.08Å; I250-D254 PolarHBondContact O-N 3.17Å
251E94Very high93.2Very high84 Ų84105.8 Ų105.839%0.39347%0.471SS..Hα-helixtrans-59-39.9177-71.9165.8178.700112.4L247 S248 D254 K255L247-E251 WeakPolarHBondContact CA-OE2 3.37Å; L247-E251 HydrophobicContact CB-CB 3.99Å; L247-E251 HydrophobicContact CD2-CB 4.38Å; L247-E251 WeakPolarHBondContact CD2-OE2 3.35Å; S248-E251 PolarHBondContact N-OE2 2.74Å; S248-E251 PolarHBondContact O-N 3.12Å; S248-E251 WeakPolarHBondContact OG-CB 3.33Å; S248-E251 VanDerWaalsContact OG-CG 3.26Å; S248-E251 WeakPolarHBondContact OG-CG 3.43Å; S248-E251 PolarHBondContact OG-N 3.08Å; S248-E251 VanDerWaalsContact OG-N 3.14Å; E251-D254 PolarHBondContact O-N 2.88Å; E251-K255 VanDerWaalsContact O-CB 3.24Å; E251-K255 WeakPolarHBondContact O-CB 3.24Å; E251-K255 PolarHBondContact O-N 3.48Å
252E92.6Very high93.2Very high56 Ų56104.7 Ų104.726%0.26247%0.472SS..Hα-helixtrans-67.2-39.2177.2-166.3178.9-177.100111.4K107 L247 S248 I250 R256K107-E252 WeakPolarHBondContact CE-OE1 3.49Å; K107-E252 IonicContact NZ-OE1 2.82Å; K107-E252 PolarHBondContact NZ-OE1 3.22Å; K107-E252 IonicContact NZ-OE2 3.87Å; L247-E252 HydrophobicContact CB-CB 4.45Å; S248-E252 WeakPolarHBondContact O-CB 3.38Å; S248-E252 PolarHBondContact O-N 2.91Å; I250-E252 VanDerWaalsContact C-N 3.29Å; I250-E252 PolarHBondContact O-N 3.29Å; E252-R256 WeakPolarHBondContact O-CB 3.4Å; E252-R256 VanDerWaalsContact O-CG 3.24Å; E252-R256 WeakPolarHBondContact O-CG 3.29Å; E252-R256 PolarHBondContact O-N 2.92Å; E252-R256 VanDerWaalsContact O-N 3.08Å; E252-R256 IonicContact OE1-CZ 3.7Å; E252-R256 IonicContact OE1-NE 3.74Å; E252-R256 PolarHBondContact OE1-NE 3.05Å; E252-R256 IonicContact OE1-NH2 2.75Å; E252-R256 PolarHBondContact OE1-NH2 3.13Å; E252-R256 IonicContact OE2-NH2 3.26Å
253R94.4Very high93.1Very high172 Ų172106 Ų10665%0.64949%0.49SS*.Hα-helixtrans-61-50.8174.1175.6-174.1175.1-178-1.4110.5I249 I250 K255 R256 I257I249-R253 WeakPolarHBondContact O-CB 3.3Å; I249-R253 PolarHBondContact O-N 3.5Å; I250-R253 WeakPolarHBondContact O-CB 3.43Å; I250-R253 PolarHBondContact O-N 3.31Å; I250-R253 VanDerWaalsContact O-N 3.08Å; R253-K255 PolarHBondContact O-N 3.13Å; R253-R256 WeakPolarHBondContact O-CB 3.46Å; R253-R256 PolarHBondContact O-N 3.04Å; R253-R256 VanDerWaalsContact O-N 3.13Å; R253-I257 HydrophobicContact CG-CD1 3.81Å; R253-I257 HydrophobicContact CG-CG1 4.48Å; R253-I257 WeakPolarHBondContact O-CG1 3.2Å; R253-I257 PolarHBondContact O-N 2.85Å
254D95.7Very high91.9Very high77 Ų77107.3 Ų107.341%0.41250%0.504SS..Hα-helixtrans-64.7-42-176.3-65.7-17.6000111.4I250 E251 R256 I257 R258I250-D254 PolarHBondContact O-N 3.17Å; E251-D254 PolarHBondContact O-N 2.88Å; D254-R256 VanDerWaalsContact C-N 3.3Å; D254-R256 PolarHBondContact O-N 2.97Å; D254-I257 PolarHBondContact O-N 3.35Å; D254-R258 VanDerWaalsContact O-CB 3.3Å; D254-R258 WeakPolarHBondContact O-CB 3.31Å; D254-R258 PolarHBondContact O-N 3.28Å
255K92.8Very high91.8Very high100 Ų100112.7 Ų112.744%0.43553%0.53SS..Hα-helixtrans-59.1-40.3173.6-174.4173.7-176170.40112N242 L247 E251 R253 A259N242-K255 PolarHBondContact OD1-NZ 2.92Å; L247-K255 HydrophobicContact CD1-CD 3.78Å; E251-K255 VanDerWaalsContact O-CB 3.24Å; E251-K255 WeakPolarHBondContact O-CB 3.24Å; E251-K255 PolarHBondContact O-N 3.48Å; R253-K255 PolarHBondContact O-N 3.13Å; K255-A259 WeakPolarHBondContact O-CB 3.33Å; K255-A259 PolarHBondContact O-N 2.91Å
256R92.8Very high91.7Very high132 Ų132116.8 Ų116.850%0.49855%0.548SS..Hα-helixtrans-70.2-43177.8-74.1176.7-170.4-175.912.6112.5K107 E252 R253 D254 R258 A259 R260K107-R256 VanDerWaalsContact NZ-NH2 3.13Å; E252-R256 WeakPolarHBondContact O-CB 3.4Å; E252-R256 VanDerWaalsContact O-CG 3.24Å; E252-R256 WeakPolarHBondContact O-CG 3.29Å; E252-R256 PolarHBondContact O-N 2.92Å; E252-R256 VanDerWaalsContact O-N 3.08Å; E252-R256 IonicContact OE1-CZ 3.7Å; E252-R256 IonicContact OE1-NE 3.74Å; E252-R256 PolarHBondContact OE1-NE 3.05Å; E252-R256 IonicContact OE1-NH2 2.75Å; E252-R256 PolarHBondContact OE1-NH2 3.13Å; E252-R256 IonicContact OE2-NH2 3.26Å; R253-R256 WeakPolarHBondContact O-CB 3.46Å; R253-R256 PolarHBondContact O-N 3.04Å; R253-R256 VanDerWaalsContact O-N 3.13Å; D254-R256 VanDerWaalsContact C-N 3.3Å; D254-R256 PolarHBondContact O-N 2.97Å; R256-R258 VanDerWaalsContact C-N 3.35Å; R256-A259 PolarHBondContact O-N 3.21Å; R256-R260 WeakPolarHBondContact O-CG 3.5Å; R256-R260 PolarHBondContact O-N 2.83Å
257I94.5Very high91.6Very high60 Ų60117.5 Ų117.531%0.30856%0.557SS.*Hα-helixtrans-63.1-45.4177.6-67.7171.2000109.6R253 D254 A259 R260 R261R253-I257 HydrophobicContact CG-CD1 3.81Å; R253-I257 HydrophobicContact CG-CG1 4.48Å; R253-I257 WeakPolarHBondContact O-CG1 3.2Å; R253-I257 PolarHBondContact O-N 2.85Å; D254-I257 PolarHBondContact O-N 3.35Å; I257-A259 PolarHBondContact O-N 2.59Å; I257-R260 PolarHBondContact O-N 3.35Å; I257-R261 WeakPolarHBondContact O-CG 3.46Å; I257-R261 PolarHBondContact O-N 3.33Å
258R94Very high91.4Very high174 Ų174121.1 Ų121.166%0.65757%0.572SS**Hα-helixtrans-58.9-46176.2-167.7-177.4-58.2-176.21.2112D254 R256 R260 R261 L262D254-R258 VanDerWaalsContact O-CB 3.3Å; D254-R258 WeakPolarHBondContact O-CB 3.31Å; D254-R258 PolarHBondContact O-N 3.28Å; R256-R258 VanDerWaalsContact C-N 3.35Å; R258-R260 VanDerWaalsContact C-N 3.33Å; R258-R260 PolarHBondContact O-N 3.45Å; R258-R261 PolarHBondContact O-N 2.69Å; R258-L262 HydrophobicContact CG-CD1 4.3Å; R258-L262 WeakPolarHBondContact O-CG 3.41Å; R258-L262 PolarHBondContact O-N 3.38Å; R258-L262 VanDerWaalsContact O-N 3.12Å
259A92.4Very high91.3Very high58 Ų58125.3 Ų125.348%0.47958%0.584SS.*Hα-helixtrans-64.7-35177.800000113.2K255 R256 I257 A263K255-A259 WeakPolarHBondContact O-CB 3.33Å; K255-A259 PolarHBondContact O-N 2.91Å; R256-A259 PolarHBondContact O-N 3.21Å; I257-A259 PolarHBondContact O-N 2.59Å; A259-A263 PolarHBondContact O-N 3.29Å
260R92.4Very high91.1Very high187 Ų187123.7 Ų123.771%0.70657%0.572SS**Hα-helixtrans-67.9-43.3174.2-76.7179.5177.2-178.4-3.7111.8R256 I257 R258 L262 A263 H264R256-R260 WeakPolarHBondContact O-CG 3.5Å; R256-R260 PolarHBondContact O-N 2.83Å; I257-R260 PolarHBondContact O-N 3.35Å; R258-R260 VanDerWaalsContact C-N 3.33Å; R258-R260 PolarHBondContact O-N 3.45Å; R260-L262 VanDerWaalsContact C-N 3.28Å; R260-L262 PolarHBondContact O-N 3.17Å; R260-A263 PolarHBondContact O-N 2.9Å; R260-H264 PolarHBondContact O-CD2 3.03Å
261R91.7Very high90.8Very high192 Ų192123.9 Ų123.973%0.72557%0.569SS**Hα-helixtrans-61.9-34.7177.8-73.4-178.9-179.9178.5-0.7113I257 R258 A263I257-R261 WeakPolarHBondContact O-CG 3.46Å; I257-R261 PolarHBondContact O-N 3.33Å; R258-R261 PolarHBondContact O-N 2.69Å; R261-A263 VanDerWaalsContact C-N 3.34Å
262L90.6Very high90.5Very high141 Ų141127 Ų12774%0.73858%0.583SS**THydrogen-bonded Turntrans-79.1-14178-70.7168.7000114.1R258 R260R258-L262 HydrophobicContact CG-CD1 4.3Å; R258-L262 WeakPolarHBondContact O-CG 3.41Å; R258-L262 PolarHBondContact O-N 3.38Å; R258-L262 VanDerWaalsContact O-N 3.12Å; R260-L262 VanDerWaalsContact C-N 3.28Å; R260-L262 PolarHBondContact O-N 3.17Å
263A85.7Confident90.3Very high85 Ų85132.9 Ų132.970%0.70261%0.609SS**THydrogen-bonded Turntrans-92.5-7178.500000112.8A259 R260 R261A259-A263 PolarHBondContact O-N 3.29Å; R260-A263 PolarHBondContact O-N 2.9Å; R261-A263 VanDerWaalsContact C-N 3.34Å
264H67.2Low90Very high217 Ų217129.4 Ų129.4100%1.00561%0.606SS**  trans-100.80168.5-71-68.4000108.6R260R260-H264 PolarHBondContact O-CD2 3.03Å

Retrieved 264 of 264 residues in 89.6 ms (Link to these results)

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