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tRNA-specific 2-thiouridylase MnmA

Catalyzes the 2-thiolation of uridine at the wobble position (U34) of tRNA(Lys), tRNA(Glu) and tRNA(Gln), leading to the formation of s(2)U34, the first step of tRNA-mnm(5)s(2)U34 synthesis. Sulfur is provided by IscS, via a sulfur-relay system. Binds ATP and its substrate tRNAs.

AlphaFold DB , UniProt , Accession P25745, Species ECOLI (Escherichia coli (strain K12)), Gene mnmA, Length 368 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
1M41.7Very low82.9Confident241 Ų24177.9 Ų77.9100%1.18743%0.426SS*.  0115.80-67.9172.917300104.9E3M1-E3 PolarHBondContact O-N 3.21Å
2S50.7Low84.2Confident114 Ų11471.6 Ų71.680%0.79739%0.392SS*.  trans-61.2120.4172.253.20000106.3T4S2-T4 PolarHBondContact O-N 3.41Å
3E64.9Low84.8Confident190 Ų19070.5 Ų70.589%0.88839%0.392SS*.  trans-55.2113.8171.6-150.3169.2-169.500106.1M1 A5M1-E3 PolarHBondContact O-N 3.21Å; E3-A5 PolarHBondContact O-N 2.87Å
4T77Confident85.3Confident127 Ų12765.5 Ų65.578%0.77937%0.365SS*.PPolyproline II helixtrans-58.9127179.53.30000107.1S2 K6S2-T4 PolarHBondContact O-N 3.41Å; T4-K6 PolarHBondContact O-N 3.01Å
5A88.5Confident85.8Confident49 Ų4961.9 Ų61.941%0.40535%0.349SS..PPolyproline II helixtrans-56.3129.4177.500000108.7E3 K7 Q31E3-A5 PolarHBondContact O-N 2.87Å; A5-K7 PolarHBondContact O-N 3.32Å; A5-Q31 HydrophobicContact CB-CB 4.4Å
6K97.1Very high86.5Confident96 Ų9658.4 Ų58.442%0.41733%0.329SS..PPolyproline II helixtrans-63.3137179.1-66.7-171.5179.6-1790109.7T4 Y30 Q31 D122 Y123T4-K6 PolarHBondContact O-N 3.01Å; K6-Y30 HydrophobicContact CB-CD1 3.99Å; K6-Y30 HydrophobicContact CB-CE1 4.1Å; K6-Q31 PolarHBondContact O-N 3.22Å; K6-D122 VanDerWaalsContact CA-OD2 3.26Å; K6-D122 WeakPolarHBondContact CA-OD2 3.4Å; K6-D122 HydrophobicContact CB-CB 4.13Å; K6-Y123 HydrophobicContact CB-CE2 4.38Å; K6-Y123 HydrophobicContact CD-CD2 4.49Å; K6-Y123 HydrophobicContact CD-CE2 3.54Å; K6-Y123 PolarHBondContact NZ-OH 3.33Å
7K98.3Very high87.1Confident33 Ų3357 Ų5714%0.14332%0.321CS..EExtended strand (participates in β ladder)trans-85130.4-179.1-177.9171.2174.1167.50110.2A5 Q31 E33 L119 D122 Y123A5-K7 PolarHBondContact O-N 3.32Å; K7-Q31 CarbonylContact C-O 3.55Å; K7-Q31 WeakPolarHBondContact CA-O 3.31Å; K7-E33 WeakPolarHBondContact CE-OE1 3.12Å; K7-E33 VanDerWaalsContact CE-OE2 3.24Å; K7-E33 WeakPolarHBondContact CE-OE2 3.21Å; K7-E33 IonicContact NZ-OE1 2.74Å; K7-E33 PolarHBondContact NZ-OE1 3.22Å; K7-E33 IonicContact NZ-OE2 3.82Å; K7-E33 PolarHBondContact NZ-OE2 3.19Å; K7-L119 VanDerWaalsContact CE-O 3.23Å; K7-L119 WeakPolarHBondContact CE-O 3.24Å; K7-L119 PolarHBondContact NZ-O 3.24Å; K7-D122 PolarHBondContact N-OD2 3.02Å; K7-D122 WeakPolarHBondContact O-CB 3.34Å; K7-D122 PolarHBondContact O-N 3.19Å; K7-Y123 PolarHBondContact O-N 3.49Å
8V98.6Very high87.7Confident0 Ų054.1 Ų54.10%030%0.304CS..EExtended strand (participates in β ladder)trans-126.9126.5178.4-173.60000109.8L25 Y30 Q31 V32 E33 Y123 A125 L167V8-L25 HydrophobicContact CG1-CD1 3.99Å; V8-Y30 HydrophobicContact CG2-CD1 3.32Å; V8-Y30 HydrophobicContact CG2-CE1 3.96Å; V8-Y30 HydrophobicContact CG2-CG 3.71Å; V8-Q31 PolarHBondContact N-O 2.95Å; V8-V32 WeakPolarHBondContact O-CA 3.24Å; V8-E33 PolarHBondContact O-N 3Å; V8-Y123 WeakPolarHBondContact CA-O 3.21Å; V8-Y123 HydrophobicContact CG2-CD2 4.2Å; V8-A125 HydrophobicContact CG1-CB 3.67Å; V8-L167 HydrophobicContact CG1-CD1 4.18Å; V8-L167 HydrophobicContact CG2-CD1 3.96Å
9I98.8Very high88.2Confident0 Ų051.3 Ų51.30%029%0.289CS..EExtended strand (participates in β ladder)trans-96.4120.9170.3-53.7-59.4000108.8E33 L35 F111 A115 L119 A121 Y123 I124 A125I9-E33 CarbonylContact C-O 3.58Å; I9-E33 WeakPolarHBondContact CA-O 3.08Å; I9-E33 HydrophobicContact CD1-CB 3.68Å; I9-L35 HydrophobicContact CG2-CB 3.56Å; I9-F111 HydrophobicContact CB-CE2 4.17Å; I9-F111 HydrophobicContact CB-CZ 4.3Å; I9-F111 HydrophobicContact CG2-CE2 3.62Å; I9-F111 HydrophobicContact CG2-CZ 3.93Å; I9-F111 WeakPolarHBondContact O-CZ 3.46Å; I9-A115 HydrophobicContact CB-CB 4.09Å; I9-A115 HydrophobicContact CG1-CB 4.04Å; I9-L119 HydrophobicContact CD1-CB 4.11Å; I9-L119 HydrophobicContact CD1-CD1 3.85Å; I9-L119 HydrophobicContact CG1-CB 4.16Å; I9-L119 HydrophobicContact CG1-CD1 3.88Å; I9-L119 HydrophobicContact CG2-CD1 4.09Å; I9-A121 HydrophobicContact CB-CB 4.5Å; I9-A121 HydrophobicContact CG1-CB 3.6Å; I9-Y123 PolarHBondContact N-O 3.5Å; I9-I124 CarbonylContact O-C 3.19Å; I9-I124 VanDerWaalsContact O-CA 3.28Å; I9-I124 WeakPolarHBondContact O-CA 3.32Å; I9-A125 PolarHBondContact O-N 3.17Å
10V98.8Very high88.7Confident0 Ų048.7 Ų48.70%027%0.274CS..EExtended strand (participates in β ladder)trans-95127178-173.40000108.8M12 A22 L25 V32 E33 G34 L35 A125V10-M12 HydrophobicContact CB-SD 4.02Å; V10-M12 HydrophobicContact CG1-SD 3.7Å; V10-M12 WeakPolarHBondContact O-CG 3.48Å; V10-M12 PolarHBondContact O-N 2.92Å; V10-M12 VanDerWaalsContact O-N 3.07Å; V10-A22 HydrophobicContact CB-CB 4.29Å; V10-A22 HydrophobicContact CG1-CB 4.15Å; V10-A22 HydrophobicContact CG2-CB 3.96Å; V10-L25 HydrophobicContact CG2-CD1 3.86Å; V10-V32 HydrophobicContact CG2-CG1 3.61Å; V10-E33 PolarHBondContact N-O 2.95Å; V10-G34 CarbonylContact O-C 3.47Å; V10-G34 WeakPolarHBondContact O-CA 3.32Å; V10-L35 PolarHBondContact O-N 3.39Å; V10-A125 CarbonylContact C-O 3.51Å; V10-A125 WeakPolarHBondContact CA-O 3.49Å; V10-A125 HydrophobicContact CB-CB 4.49Å; V10-A125 HydrophobicContact CG1-CB 4.45Å; V10-A125 HydrophobicContact CG2-CB 4.03Å
11G98.1Very high89.2Confident7 Ų746.4 Ų46.47%0.07226%0.261CS..EExtended strand (participates in β ladder)trans-67.3104.7169.200000110.2S18 A125G11-S18 WeakPolarHBondContact O-CB 3.45Å; G11-A125 PolarHBondContact N-O 3.48Å
12M97.6Very high91.9Very high2 Ų234.9 Ų34.91%0.0121%0.205CC..  trans-94.9100.6-175.9-62.6-59.1-74.100109.9V10 G14 A22 L35 F36 A58 V61 L69V10-M12 HydrophobicContact CB-SD 4.02Å; V10-M12 HydrophobicContact CG1-SD 3.7Å; V10-M12 WeakPolarHBondContact O-CG 3.48Å; V10-M12 PolarHBondContact O-N 2.92Å; V10-M12 VanDerWaalsContact O-N 3.07Å; M12-G14 VanDerWaalsContact C-N 3.34Å; M12-G14 PolarHBondContact O-N 3.24Å; M12-A22 HydrophobicContact CE-CB 4.41Å; M12-A22 HydrophobicContact SD-CB 4.03Å; M12-L35 PolarHBondContact N-O 3.4Å; M12-F36 WeakPolarHBondContact O-CD2 3.41Å; M12-A58 HydrophobicContact CB-CB 4.11Å; M12-V61 HydrophobicContact CE-CB 4.27Å; M12-V61 HydrophobicContact CE-CG1 3.6Å; M12-L69 HydrophobicContact CB-CD1 4.14Å; M12-L69 HydrophobicContact CG-CD1 4.23Å
13S92.4Very high94.2Very high57 Ų5732.3 Ų32.340%0.39918%0.177SC..  trans-90.38.8-175.778.40000114.3G15 S18S13-G15 PolarHBondContact O-N 2.99Å; S13-G15 PolarHBondContact OG-N 3.19Å; S13-S18 PolarHBondContact N-OG 3.16Å
14G91.4Very high95.8Very high1 Ų124.5 Ų24.51%0.0114%0.142CC..SBendtrans67.412.9-166.200000114.1M12 D54 T189 K192M12-G14 VanDerWaalsContact C-N 3.34Å; M12-G14 PolarHBondContact O-N 3.24Å; G14-D54 WeakPolarHBondContact CA-O 3.44Å; G14-T189 VanDerWaalsContact O-CG2 3.27Å; G14-T189 WeakPolarHBondContact O-CG2 3.45Å; G14-K192 WeakPolarHBondContact O-CD 3.36Å; G14-K192 PolarHBondContact O-NZ 3.29Å
15G93.7Very high96.8Very high12 Ų1218.5 Ų18.512%0.12411%0.105CC..SBendtrans-103.3157.9178.600000112.9S13 D17 S18 S19S13-G15 PolarHBondContact O-N 2.99Å; S13-G15 PolarHBondContact OG-N 3.19Å; G15-D17 VanDerWaalsContact C-N 3.3Å; G15-D17 PolarHBondContact O-N 3.03Å; G15-S18 PolarHBondContact O-OG 3.24Å; G15-S18 VanDerWaalsContact O-OG 3.07Å; G15-S19 PolarHBondContact O-N 3.04Å; G15-S19 PolarHBondContact O-OG 3.44Å
16V96.3Very high97.3Very high5 Ų518.7 Ų18.73%0.0310%0.097CC..Hα-helixtrans-61.5-34.6-17768.40000113.5S19 V20 A182V16-S19 WeakPolarHBondContact O-CB 3.16Å; V16-S19 PolarHBondContact O-N 3.27Å; V16-V20 HydrophobicContact CG2-CG2 4.42Å; V16-V20 WeakPolarHBondContact O-CG2 3.29Å; V16-V20 PolarHBondContact O-N 3.23Å; V16-A182 HydrophobicContact CG2-CB 3.39Å
17D97.3Very high97.3Very high35 Ų3520 Ų2019%0.18711%0.105CC..Hα-helixtrans-71.1-44.5-173.1-58.9-50.8000112G15 S19 V20 S21 G127 Y129 K175G15-D17 VanDerWaalsContact C-N 3.3Å; G15-D17 PolarHBondContact O-N 3.03Å; D17-S19 VanDerWaalsContact C-N 3.31Å; D17-S19 PolarHBondContact O-N 3.32Å; D17-V20 PolarHBondContact O-N 3.16Å; D17-S21 VanDerWaalsContact O-CB 3.29Å; D17-S21 WeakPolarHBondContact O-CB 3.45Å; D17-S21 PolarHBondContact O-N 3.02Å; D17-G127 WeakPolarHBondContact CB-O 3.38Å; D17-Y129 HydrophobicContact CB-CE2 4.27Å; D17-Y129 WeakPolarHBondContact OD1-CE2 3.28Å; D17-Y129 PolarHBondContact OD1-OH 2.87Å; D17-K175 IonicContact OD1-NZ 2.66Å; D17-K175 PolarHBondContact OD1-NZ 3.36Å; D17-K175 IonicContact OD2-NZ 2.64Å; D17-K175 PolarHBondContact OD2-NZ 2.83Å
18S97.1Very high97.2Very high4 Ų423.9 Ų23.93%0.02812%0.124CC..Hα-helixtrans-65-36.1173.450.50000111.8G11 S13 G15 S21 A22G11-S18 WeakPolarHBondContact O-CB 3.45Å; S13-S18 PolarHBondContact N-OG 3.16Å; G15-S18 PolarHBondContact O-OG 3.24Å; G15-S18 VanDerWaalsContact O-OG 3.07Å; S18-S21 WeakPolarHBondContact O-CB 3.34Å; S18-S21 PolarHBondContact O-N 3.34Å; S18-A22 PolarHBondContact O-N 3.33Å
19S98Very high97.2Very high1 Ų126.4 Ų26.41%0.00715%0.15CC..Hα-helixtrans-61.9-46.2177.2-51.30000112.2G15 V16 D17 A22 W23 V61 T189G15-S19 PolarHBondContact O-N 3.04Å; G15-S19 PolarHBondContact O-OG 3.44Å; V16-S19 WeakPolarHBondContact O-CB 3.16Å; V16-S19 PolarHBondContact O-N 3.27Å; D17-S19 VanDerWaalsContact C-N 3.31Å; D17-S19 PolarHBondContact O-N 3.32Å; S19-A22 PolarHBondContact O-N 2.88Å; S19-W23 PolarHBondContact O-N 2.94Å; S19-V61 WeakPolarHBondContact OG-CG2 3.43Å; S19-T189 PolarHBondContact OG-OG1 2.84Å
20V98.3Very high97.1Very high0 Ų029.4 Ų29.40%016%0.161CC..Hα-helixtrans-71.2-35.4178.2174.50000111.1V16 D17 A22 W23 L24 V170 V178 I181 A182V16-V20 HydrophobicContact CG2-CG2 4.42Å; V16-V20 WeakPolarHBondContact O-CG2 3.29Å; V16-V20 PolarHBondContact O-N 3.23Å; D17-V20 PolarHBondContact O-N 3.16Å; V20-A22 PolarHBondContact O-N 3.18Å; V20-W23 PolarHBondContact O-N 2.88Å; V20-L24 HydrophobicContact CG1-CD1 3.89Å; V20-L24 HydrophobicContact CG1-CG 4.14Å; V20-L24 WeakPolarHBondContact O-CB 3.46Å; V20-L24 VanDerWaalsContact O-CG 3.29Å; V20-L24 WeakPolarHBondContact O-CG 3.41Å; V20-L24 PolarHBondContact O-N 2.95Å; V20-V170 HydrophobicContact CB-CG1 4.39Å; V20-V170 HydrophobicContact CG1-CG1 4.23Å; V20-V178 HydrophobicContact CB-CG1 3.82Å; V20-V178 HydrophobicContact CG1-CG1 4Å; V20-V178 HydrophobicContact CG2-CG1 3.82Å; V20-V178 WeakPolarHBondContact CG2-O 3.46Å; V20-I181 HydrophobicContact CG1-CB 4.18Å; V20-I181 HydrophobicContact CG1-CD1 4.17Å; V20-I181 HydrophobicContact CG1-CG2 3.88Å; V20-I181 HydrophobicContact CG2-CB 4.45Å; V20-I181 HydrophobicContact CG2-CG2 4.26Å; V20-A182 HydrophobicContact CG2-CB 3.8Å
21S98.5Very high97.1Very high0 Ų034 Ų340%018%0.183CC..Hα-helixtrans-56-48.8172.6-173.30000111.7D17 S18 W23 L24 L25 T126 P169D17-S21 VanDerWaalsContact O-CB 3.29Å; D17-S21 WeakPolarHBondContact O-CB 3.45Å; D17-S21 PolarHBondContact O-N 3.02Å; S18-S21 WeakPolarHBondContact O-CB 3.34Å; S18-S21 PolarHBondContact O-N 3.34Å; S21-W23 PolarHBondContact O-N 3.36Å; S21-L24 PolarHBondContact O-N 3.49Å; S21-L25 WeakPolarHBondContact O-CG 3.35Å; S21-L25 PolarHBondContact O-N 3.32Å; S21-L25 VanDerWaalsContact O-N 3.1Å; S21-T126 PolarHBondContact OG-O 3.1Å; S21-P169 VanDerWaalsContact OG-CD 3.24Å; S21-P169 WeakPolarHBondContact OG-CD 3.31Å; S21-P169 WeakPolarHBondContact OG-CG 3.5Å
22A98.7Very high97.1Very high0 Ų034.1 Ų34.10%018%0.182CC..Hα-helixtrans-59.1-46.1176.500000112.4V10 M12 S18 S19 V20 L25 Q26 V32 L65 I67V10-A22 HydrophobicContact CB-CB 4.29Å; V10-A22 HydrophobicContact CG1-CB 4.15Å; V10-A22 HydrophobicContact CG2-CB 3.96Å; M12-A22 HydrophobicContact CE-CB 4.41Å; M12-A22 HydrophobicContact SD-CB 4.03Å; S18-A22 PolarHBondContact O-N 3.33Å; S19-A22 PolarHBondContact O-N 2.88Å; V20-A22 PolarHBondContact O-N 3.18Å; A22-L25 PolarHBondContact O-N 3.29Å; A22-Q26 PolarHBondContact O-N 3.1Å; A22-Q26 VanDerWaalsContact O-N 3.1Å; A22-V32 HydrophobicContact CB-CG1 4.16Å; A22-L65 HydrophobicContact CB-CD1 3.96Å; A22-I67 HydrophobicContact CB-CD1 4.07Å
23W98.6Very high97.2Very high60 Ų6034.8 Ų34.823%0.22719%0.185CC..Hα-helixtrans-63-44.9177.8177.380000112.5S19 V20 S21 L25 Q26 Q27 L65 I181 L185S19-W23 PolarHBondContact O-N 2.94Å; V20-W23 PolarHBondContact O-N 2.88Å; S21-W23 PolarHBondContact O-N 3.36Å; W23-L25 VanDerWaalsContact C-N 3.27Å; W23-L25 PolarHBondContact O-N 3.1Å; W23-Q26 WeakPolarHBondContact O-CB 3.36Å; W23-Q26 PolarHBondContact O-N 3.4Å; W23-Q27 HydrophobicContact CD2-CG 3.93Å; W23-Q27 HydrophobicContact CE3-CG 4.2Å; W23-Q27 HydrophobicContact CH2-CG 3.86Å; W23-Q27 HydrophobicContact CZ2-CG 3.54Å; W23-Q27 HydrophobicContact CZ3-CG 4.18Å; W23-Q27 WeakPolarHBondContact O-CG 3.39Å; W23-Q27 PolarHBondContact O-N 3.29Å; W23-L65 HydrophobicContact CB-CD1 4.28Å; W23-L65 HydrophobicContact CB-CD2 4.03Å; W23-L65 HydrophobicContact CG-CD2 4.29Å; W23-I181 HydrophobicContact CD2-CG2 4.29Å; W23-I181 HydrophobicContact CE3-CG2 3.6Å; W23-I181 HydrophobicContact CH2-CG2 4.33Å; W23-I181 HydrophobicContact CZ3-CD1 4.47Å; W23-I181 HydrophobicContact CZ3-CG2 3.62Å; W23-L185 HydrophobicContact CB-CD1 4Å; W23-L185 HydrophobicContact CD2-CD1 3.65Å; W23-L185 HydrophobicContact CD2-CD2 4.38Å; W23-L185 HydrophobicContact CE3-CD1 4.28Å; W23-L185 HydrophobicContact CG-CD1 3.48Å; W23-L185 VanDerWaalsContact CG-CD1 3.48Å; W23-L185 HydrophobicContact CG-CD2 4.39Å; W23-L185 HydrophobicContact CZ2-CD2 4.28Å
24L98.6Very high97.5Very high26 Ų2632.1 Ų32.114%0.13617%0.166CC..Hα-helixtrans-58.3-40.7178.1-74.8168.3000111.5V20 S21 Q27 Q28 P169 V170 L173V20-L24 HydrophobicContact CG1-CD1 3.89Å; V20-L24 HydrophobicContact CG1-CG 4.14Å; V20-L24 WeakPolarHBondContact O-CB 3.46Å; V20-L24 VanDerWaalsContact O-CG 3.29Å; V20-L24 WeakPolarHBondContact O-CG 3.41Å; V20-L24 PolarHBondContact O-N 2.95Å; S21-L24 PolarHBondContact O-N 3.49Å; L24-Q27 PolarHBondContact O-N 3.21Å; L24-Q28 VanDerWaalsContact O-CG 3.28Å; L24-Q28 WeakPolarHBondContact O-CG 3.45Å; L24-Q28 PolarHBondContact O-N 3Å; L24-P169 HydrophobicContact CB-CB 3.83Å; L24-P169 HydrophobicContact CD1-CB 3.75Å; L24-P169 HydrophobicContact CG-CB 4.46Å; L24-V170 HydrophobicContact CD1-CG1 4.14Å; L24-L173 HydrophobicContact CD1-CD1 3.81Å
25L98.6Very high97.8Very high0 Ų032 Ų320%017%0.166CC..Hα-helixtrans-67.6-38.5177.8-71.1162.2000112.4V8 V10 S21 A22 W23 Q27 Q28 G29 Y30 V32 A125 L167 P169V8-L25 HydrophobicContact CG1-CD1 3.99Å; V10-L25 HydrophobicContact CG2-CD1 3.86Å; S21-L25 WeakPolarHBondContact O-CG 3.35Å; S21-L25 PolarHBondContact O-N 3.32Å; S21-L25 VanDerWaalsContact O-N 3.1Å; A22-L25 PolarHBondContact O-N 3.29Å; W23-L25 VanDerWaalsContact C-N 3.27Å; W23-L25 PolarHBondContact O-N 3.1Å; L25-Q27 VanDerWaalsContact C-N 3.3Å; L25-Q27 PolarHBondContact O-N 3.23Å; L25-Q28 PolarHBondContact O-N 3.32Å; L25-Q28 VanDerWaalsContact O-N 3.16Å; L25-G29 PolarHBondContact O-N 2.96Å; L25-Y30 HydrophobicContact CB-CD2 4.22Å; L25-Y30 HydrophobicContact CD2-CD2 3.65Å; L25-Y30 HydrophobicContact CD2-CE2 3.81Å; L25-Y30 HydrophobicContact CD2-CG 4.37Å; L25-Y30 WeakPolarHBondContact O-CD2 3.46Å; L25-Y30 PolarHBondContact O-N 3.46Å; L25-Y30 VanDerWaalsContact O-N 3.16Å; L25-V32 HydrophobicContact CB-CG2 3.65Å; L25-A125 HydrophobicContact CD1-CB 3.38Å; L25-L167 HydrophobicContact CD2-CB 4.39Å; L25-L167 HydrophobicContact CD2-CD1 3.68Å; L25-P169 HydrophobicContact CD1-CG 3.79Å; L25-P169 HydrophobicContact CD2-CG 3.79Å; L25-P169 HydrophobicContact CG-CG 3.55Å
26Q97.8Very high98Very high54 Ų5432.1 Ų32.125%0.25216%0.163SC..Hα-helixtrans-59.7-43.1171.1-72-175.4-49.400111.1A22 W23 Q28 G29 V32 L65 I67A22-Q26 PolarHBondContact O-N 3.1Å; A22-Q26 VanDerWaalsContact O-N 3.1Å; W23-Q26 WeakPolarHBondContact O-CB 3.36Å; W23-Q26 PolarHBondContact O-N 3.4Å; Q26-Q28 PolarHBondContact O-N 2.86Å; Q26-G29 PolarHBondContact O-N 3.49Å; Q26-V32 HydrophobicContact CB-CG2 4.49Å; Q26-V32 HydrophobicContact CG-CB 3.85Å; Q26-V32 HydrophobicContact CG-CG2 3.74Å; Q26-L65 PolarHBondContact NE2-O 3.47Å; Q26-I67 HydrophobicContact CG-CG2 4.38Å
27Q97.7Very high98Very high124 Ų12432.7 Ų32.758%0.57917%0.165SC*.Hα-helixtrans-65.8-26.1177.9-60-43.3-68.300113W23 L24 L25 G29W23-Q27 HydrophobicContact CD2-CG 3.93Å; W23-Q27 HydrophobicContact CE3-CG 4.2Å; W23-Q27 HydrophobicContact CH2-CG 3.86Å; W23-Q27 HydrophobicContact CZ2-CG 3.54Å; W23-Q27 HydrophobicContact CZ3-CG 4.18Å; W23-Q27 WeakPolarHBondContact O-CG 3.39Å; W23-Q27 PolarHBondContact O-N 3.29Å; L24-Q27 PolarHBondContact O-N 3.21Å; L25-Q27 VanDerWaalsContact C-N 3.3Å; L25-Q27 PolarHBondContact O-N 3.23Å; Q27-G29 VanDerWaalsContact C-N 3.27Å
28Q97Very high97.8Very high114 Ų11433.1 Ų33.153%0.53317%0.165SC..THydrogen-bonded Turntrans-81.3-3.8174.8-69168.316.300113.2L24 L25 Q26 Y30L24-Q28 VanDerWaalsContact O-CG 3.28Å; L24-Q28 WeakPolarHBondContact O-CG 3.45Å; L24-Q28 PolarHBondContact O-N 3Å; L25-Q28 PolarHBondContact O-N 3.32Å; L25-Q28 VanDerWaalsContact O-N 3.16Å; Q26-Q28 PolarHBondContact O-N 2.86Å; Q28-Y30 HydrophobicContact CB-CD2 3.84Å; Q28-Y30 HydrophobicContact CB-CE2 3.89Å
29G97.1Very high97.5Very high53 Ų5333 Ų3355%0.54617%0.165SC..THydrogen-bonded Turntrans91.313.317500000115.3L25 Q26 Q27L25-G29 PolarHBondContact O-N 2.96Å; Q26-G29 PolarHBondContact O-N 3.49Å; Q27-G29 VanDerWaalsContact C-N 3.27Å
30Y98.2Very high97Very high62 Ų6233.7 Ų33.724%0.24317%0.167CC..  trans-75.4151.1174-68.8-82.2000111.9K6 V8 L25 Q28 V32 Y123 L167K6-Y30 HydrophobicContact CB-CD1 3.99Å; K6-Y30 HydrophobicContact CB-CE1 4.1Å; V8-Y30 HydrophobicContact CG2-CD1 3.32Å; V8-Y30 HydrophobicContact CG2-CE1 3.96Å; V8-Y30 HydrophobicContact CG2-CG 3.71Å; L25-Y30 HydrophobicContact CB-CD2 4.22Å; L25-Y30 HydrophobicContact CD2-CD2 3.65Å; L25-Y30 HydrophobicContact CD2-CE2 3.81Å; L25-Y30 HydrophobicContact CD2-CG 4.37Å; L25-Y30 WeakPolarHBondContact O-CD2 3.46Å; L25-Y30 PolarHBondContact O-N 3.46Å; L25-Y30 VanDerWaalsContact O-N 3.16Å; Q28-Y30 HydrophobicContact CB-CD2 3.84Å; Q28-Y30 HydrophobicContact CB-CE2 3.89Å; Y30-V32 PolarHBondContact O-N 2.93Å; Y30-Y123 HydrophobicContact CE1-CD2 4.21Å; Y30-Y123 HydrophobicContact CE1-CE2 4.26Å; Y30-L167 HydrophobicContact CE1-CD1 4.22Å; Y30-L167 HydrophobicContact CE2-CD1 4.42Å
31Q98.1Very high96.4Very high96 Ų9637.7 Ų37.745%0.44919%0.186SC..EExtended strand (participates in β ladder)trans-79.8107162.9177.1-178.5-13.300108A5 K6 K7 V8 E33A5-Q31 HydrophobicContact CB-CB 4.4Å; K6-Q31 PolarHBondContact O-N 3.22Å; K7-Q31 CarbonylContact C-O 3.55Å; K7-Q31 WeakPolarHBondContact CA-O 3.31Å; V8-Q31 PolarHBondContact N-O 2.95Å; Q31-E33 PolarHBondContact NE2-OE1 3.06Å
32V98.6Very high95.4Very high11 Ų1143 Ų437%0.06721%0.211CC..EExtended strand (participates in β ladder)trans-102.5130.8-173.7-1790000110.9V8 V10 A22 L25 Q26 Y30 I67V8-V32 WeakPolarHBondContact O-CA 3.24Å; V10-V32 HydrophobicContact CG2-CG1 3.61Å; A22-V32 HydrophobicContact CB-CG1 4.16Å; L25-V32 HydrophobicContact CB-CG2 3.65Å; Q26-V32 HydrophobicContact CB-CG2 4.49Å; Q26-V32 HydrophobicContact CG-CB 3.85Å; Q26-V32 HydrophobicContact CG-CG2 3.74Å; Y30-V32 PolarHBondContact O-N 2.93Å; V32-I67 HydrophobicContact CB-CG2 4.17Å; V32-I67 HydrophobicContact CG1-CD1 4.06Å; V32-I67 HydrophobicContact CG1-CG2 4.24Å; V32-I67 WeakPolarHBondContact O-CB 3.26Å; V32-I67 VanDerWaalsContact O-CG2 3.26Å; V32-I67 WeakPolarHBondContact O-CG2 3.4Å
33E98.7Very high94.2Very high16 Ų1643.1 Ų43.18%0.07521%0.211CC..EExtended strand (participates in β ladder)trans-127.7156.2165-64.2167.1-147.900108.4K7 V8 I9 V10 Q31 E68 H70K7-E33 WeakPolarHBondContact CE-OE1 3.12Å; K7-E33 VanDerWaalsContact CE-OE2 3.24Å; K7-E33 WeakPolarHBondContact CE-OE2 3.21Å; K7-E33 IonicContact NZ-OE1 2.74Å; K7-E33 PolarHBondContact NZ-OE1 3.22Å; K7-E33 IonicContact NZ-OE2 3.82Å; K7-E33 PolarHBondContact NZ-OE2 3.19Å; V8-E33 PolarHBondContact O-N 3Å; I9-E33 CarbonylContact C-O 3.58Å; I9-E33 WeakPolarHBondContact CA-O 3.08Å; I9-E33 HydrophobicContact CD1-CB 3.68Å; V10-E33 PolarHBondContact N-O 2.95Å; Q31-E33 PolarHBondContact NE2-OE1 3.06Å; E33-E68 HydrophobicContact CG-CB 4.2Å; E33-H70 IonicContact OE2-CD2 3.02Å; E33-H70 IonicContact OE2-CE1 2.64Å; E33-H70 IonicContact OE2-NE2 2.96Å; E33-H70 PolarHBondContact OE2-NE2 3.18Å
34G98.6Very high92.9Very high0 Ų043.6 Ų43.60%022%0.218CC..EExtended strand (participates in β ladder)trans-101.7151.4177.300000112.1V10 E68 H70V10-G34 CarbonylContact O-C 3.47Å; V10-G34 WeakPolarHBondContact O-CA 3.32Å; G34-E68 PolarHBondContact N-O 2.98Å; G34-H70 PolarHBondContact O-CD2 3.46Å; G34-H70 PolarHBondContact O-N 3.44Å
35L98.7Very high91.2Very high0 Ų046.2 Ų46.20%025%0.251CS..EExtended strand (participates in β ladder)trans-128.9121.5166.2-178.470000109.9I9 V10 M12 M37 H70 V72 F111 F114I9-L35 HydrophobicContact CG2-CB 3.56Å; V10-L35 PolarHBondContact O-N 3.39Å; M12-L35 PolarHBondContact N-O 3.4Å; L35-M37 HydrophobicContact CD2-CG 4.15Å; L35-M37 HydrophobicContact CG-CG 4.29Å; L35-H70 WeakPolarHBondContact CA-O 3.41Å; L35-H70 HydrophobicContact CD1-CB 3.49Å; L35-H70 VanDerWaalsContact CD1-CB 3.49Å; L35-V72 HydrophobicContact CD1-CB 4.14Å; L35-V72 HydrophobicContact CD1-CG1 3.8Å; L35-V72 HydrophobicContact CD2-CG1 3.82Å; L35-V72 HydrophobicContact CG-CG1 3.99Å; L35-F111 HydrophobicContact CB-CE2 4.09Å; L35-F111 HydrophobicContact CD2-CD2 3.29Å; L35-F111 HydrophobicContact CD2-CE2 3.43Å; L35-F111 VanDerWaalsContact CD2-CE2 3.43Å; L35-F111 HydrophobicContact CD2-CG 4.38Å; L35-F111 HydrophobicContact CG-CE2 4.39Å; L35-F114 HydrophobicContact CD1-CD1 4.33Å; L35-F114 HydrophobicContact CD1-CE1 3.8Å; L35-F114 HydrophobicContact CD2-CD1 3.81Å; L35-F114 HydrophobicContact CD2-CE1 4.14Å
36F97.8Very high89.7Confident13 Ų1349.6 Ų49.66%0.05727%0.268CS..EExtended strand (participates in β ladder)trans-88.9129166.7-173.4-92000109.7M12 K38 A51 D54 L55 A58 L69 H70 T71 V72M12-F36 WeakPolarHBondContact O-CD2 3.41Å; F36-K38 HydrophobicContact CE1-CB 4.35Å; F36-A51 WeakPolarHBondContact CZ-O 3.49Å; F36-D54 HydrophobicContact CE2-CB 3.81Å; F36-D54 HydrophobicContact CZ-CB 4.06Å; F36-L55 HydrophobicContact CB-CD1 3.82Å; F36-L55 HydrophobicContact CD1-CB 4.17Å; F36-L55 HydrophobicContact CD1-CD1 3.75Å; F36-L55 HydrophobicContact CD1-CG 4.42Å; F36-L55 HydrophobicContact CD2-CB 4.29Å; F36-L55 HydrophobicContact CD2-CD1 4.13Å; F36-L55 HydrophobicContact CE1-CB 3.89Å; F36-L55 HydrophobicContact CE1-CD1 4.35Å; F36-L55 HydrophobicContact CE2-CB 4.05Å; F36-L55 HydrophobicContact CG-CB 4.36Å; F36-L55 HydrophobicContact CG-CD1 3.62Å; F36-L55 HydrophobicContact CZ-CB 3.84Å; F36-A58 HydrophobicContact CD2-CB 3.91Å; F36-L69 HydrophobicContact CB-CD1 4.18Å; F36-H70 PolarHBondContact N-O 2.86Å; F36-T71 HydrophobicContact CD1-CG2 4.24Å; F36-T71 WeakPolarHBondContact O-CA 3.48Å; F36-V72 PolarHBondContact O-N 3.02Å
37M95.5Very high87.7Confident18 Ų1857.1 Ų57.19%0.08930%0.303CS..EExtended strand (participates in β ladder)trans-110.2112.6179.3-63.9173-80.600109.5L35 V72 F74 K107 F111L35-M37 HydrophobicContact CD2-CG 4.15Å; L35-M37 HydrophobicContact CG-CG 4.29Å; M37-V72 WeakPolarHBondContact CA-O 3.24Å; M37-V72 HydrophobicContact CG-CG1 3.97Å; M37-F74 HydrophobicContact CB-CD2 4.21Å; M37-F74 HydrophobicContact CG-CD2 3.95Å; M37-F74 HydrophobicContact CG-CE2 3.89Å; M37-F74 HydrophobicContact SD-CD2 4.13Å; M37-F74 HydrophobicContact SD-CE2 4.01Å; M37-K107 HydrophobicContact CE-CG 4.48Å; M37-F111 HydrophobicContact CE-CD1 4.2Å; M37-F111 HydrophobicContact CE-CG 4.38Å; M37-F111 HydrophobicContact SD-CB 3.71Å; M37-F111 HydrophobicContact SD-CD1 4.28Å; M37-F111 HydrophobicContact SD-CD2 4.42Å; M37-F111 HydrophobicContact SD-CG 3.89Å
38K93.4Very high86Confident43 Ų4359 Ų5919%0.18731%0.306CS..EExtended strand (participates in β ladder)trans-84.6115168.8-169.1-173.3-177.1-155.70108.3F36 E41 D44 A51 V72 N73 F74 A75F36-K38 HydrophobicContact CE1-CB 4.35Å; K38-E41 HydrophobicContact CD-CG 4.43Å; K38-E41 IonicContact NZ-OE1 2.81Å; K38-E41 PolarHBondContact NZ-OE1 3.44Å; K38-D44 IonicContact NZ-OD1 3.49Å; K38-D44 IonicContact NZ-OD2 2.61Å; K38-D44 PolarHBondContact NZ-OD2 3.26Å; K38-A51 HydrophobicContact CG-CB 4.47Å; K38-V72 PolarHBondContact N-O 3.47Å; K38-N73 CarbonylContact O-C 3.56Å; K38-N73 WeakPolarHBondContact O-CA 3.38Å; K38-N73 PolarHBondContact O-OD1 2.79Å; K38-N73 VanDerWaalsContact O-OD1 3.05Å; K38-F74 PolarHBondContact O-N 2.87Å; K38-A75 PolarHBondContact O-N 2.98Å
39N90.9Very high85Confident3 Ų355 Ų552%0.01629%0.29CS..  trans-120.84.7-172.1-57.9-34.2000113.2F74 Y78 F200N39-F74 WeakPolarHBondContact OD1-CB 3.4Å; N39-Y78 HydrophobicContact CB-CD2 4.13Å; N39-Y78 HydrophobicContact CB-CG 4.27Å; N39-Y78 WeakPolarHBondContact O-CB 3.27Å; N39-Y78 WeakPolarHBondContact O-CD1 3.47Å; N39-Y78 VanDerWaalsContact O-CG 3.3Å; N39-F200 HydrophobicContact CB-CB 4.11Å; N39-F200 HydrophobicContact CB-CD1 4.29Å; N39-F200 HydrophobicContact CB-CD2 3.62Å; N39-F200 HydrophobicContact CB-CE2 4.05Å; N39-F200 HydrophobicContact CB-CG 3.75Å; N39-F200 WeakPolarHBondContact ND2-CD2 3.38Å; N39-F200 WeakPolarHBondContact ND2-CE1 3.47Å; N39-F200 WeakPolarHBondContact ND2-CE2 3.25Å; N39-F200 WeakPolarHBondContact ND2-CZ 3.29Å
40W88.6Confident84.1Confident14 Ų1454.4 Ų54.45%0.05328%0.275CS..  trans-153.4139.1-178-167-101.4000109.2E42 Y78 W79 F83 F200 I201 F209W40-E42 HydrophobicContact CH2-CG 4.26Å; W40-E42 HydrophobicContact CZ2-CB 3.82Å; W40-E42 HydrophobicContact CZ2-CG 3.67Å; W40-Y78 AromaticContact CE3-CD1 3.77Å; W40-Y78 HydrophobicContact CE3-CD1 3.77Å; W40-Y78 AromaticContact CE3-CE1 3.62Å; W40-Y78 HydrophobicContact CE3-CE1 3.62Å; W40-Y78 HydrophobicContact CZ3-CD1 4.07Å; W40-Y78 AromaticContact CZ3-CE1 3.8Å; W40-Y78 HydrophobicContact CZ3-CE1 3.8Å; W40-W79 HydrophobicContact CH2-CE3 4.24Å; W40-W79 AromaticContact CH2-CZ3 3.94Å; W40-W79 HydrophobicContact CH2-CZ3 3.94Å; W40-W79 HydrophobicContact CZ3-CE3 4.08Å; W40-W79 HydrophobicContact CZ3-CZ3 4.26Å; W40-F83 AromaticContact CH2-CD1 3.96Å; W40-F83 HydrophobicContact CH2-CD1 3.96Å; W40-F83 HydrophobicContact CH2-CD2 4.06Å; W40-F83 AromaticContact CH2-CE1 3.83Å; W40-F83 HydrophobicContact CH2-CE1 3.83Å; W40-F83 AromaticContact CH2-CE2 3.97Å; W40-F83 HydrophobicContact CH2-CE2 3.97Å; W40-F83 HydrophobicContact CH2-CG 4.07Å; W40-F83 AromaticContact CH2-CZ 3.84Å; W40-F83 HydrophobicContact CH2-CZ 3.84Å; W40-F83 HydrophobicContact CZ3-CB 4.33Å; W40-F83 HydrophobicContact CZ3-CD1 4.1Å; W40-F83 HydrophobicContact CZ3-CD2 4.04Å; W40-F83 HydrophobicContact CZ3-CE1 4.43Å; W40-F83 HydrophobicContact CZ3-CE2 4.4Å; W40-F83 AromaticContact CZ3-CG 3.89Å; W40-F83 HydrophobicContact CZ3-CG 3.89Å; W40-F200 HydrophobicContact CB-CB 4.49Å; W40-I201 HydrophobicContact CD2-CD1 4.25Å; W40-I201 HydrophobicContact CD2-CG1 3.58Å; W40-I201 HydrophobicContact CE3-CD1 3.98Å; W40-I201 HydrophobicContact CE3-CG1 3.76Å; W40-I201 HydrophobicContact CG-CG1 4.02Å; W40-I201 HydrophobicContact CH2-CD1 4.03Å; W40-I201 HydrophobicContact CH2-CG1 4.36Å; W40-I201 HydrophobicContact CZ2-CD1 4.28Å; W40-I201 HydrophobicContact CZ2-CG1 4.21Å; W40-I201 HydrophobicContact CZ3-CD1 3.88Å; W40-I201 HydrophobicContact CZ3-CG1 4.15Å; W40-F209 HydrophobicContact CH2-CZ 4.24Å; W40-F209 HydrophobicContact CZ2-CE2 4.04Å; W40-F209 HydrophobicContact CZ2-CZ 4.13Å
41E85.2Confident83.5Confident84 Ų8452.2 Ų52.239%0.39327%0.27SS..  trans-132.6-7.3-175.8-53.3-164.1121.900113.7K38 D43 D44 N73 A75K38-E41 HydrophobicContact CD-CG 4.43Å; K38-E41 IonicContact NZ-OE1 2.81Å; K38-E41 PolarHBondContact NZ-OE1 3.44Å; E41-D43 PolarHBondContact O-N 3.11Å; E41-D43 VanDerWaalsContact O-N 3.1Å; E41-D44 VanDerWaalsContact O-CB 3.31Å; E41-D44 WeakPolarHBondContact O-CB 3.42Å; E41-D44 PolarHBondContact O-N 3.14Å; E41-N73 PolarHBondContact OE1-ND2 3.45Å; E41-A75 HydrophobicContact CG-CB 3.63Å
42E76.8Confident83Confident113 Ų11350.3 Ų50.353%0.52827%0.271SS..THydrogen-bonded Turntrans-66.1-16.5-176.1-67.5-89.3103.100113.1W40 W79 Y213W40-E42 HydrophobicContact CH2-CG 4.26Å; W40-E42 HydrophobicContact CZ2-CB 3.82Å; W40-E42 HydrophobicContact CZ2-CG 3.67Å; E42-W79 HydrophobicContact CG-CZ3 4.41Å; E42-Y213 PolarHBondContact OE2-OH 3.22Å
43D73.7Confident82.5Confident1 Ų151.2 Ų51.21%0.00528%0.28CS..THydrogen-bonded Turntrans-98.33.2175.669.3-36.7000114.1E41 G45 E46 T50 R204E41-D43 PolarHBondContact O-N 3.11Å; E41-D43 VanDerWaalsContact O-N 3.1Å; D43-G45 PolarHBondContact O-N 3.21Å; D43-E46 HydrophobicContact CB-CG 4.25Å; D43-E46 WeakPolarHBondContact O-CB 3.29Å; D43-E46 PolarHBondContact O-N 3.48Å; D43-T50 PolarHBondContact OD2-OG1 3.07Å; D43-R204 VanDerWaalsContact CB-NH2 3.28Å; D43-R204 IonicContact OD2-NH2 2.7Å
44D70.7Confident82.2Confident70 Ų7052.8 Ų52.837%0.37429%0.289SS..THydrogen-bonded Turntrans-63.1-24.1179-77.8-6.4000113.1K38 E41K38-D44 IonicContact NZ-OD1 3.49Å; K38-D44 IonicContact NZ-OD2 2.61Å; K38-D44 PolarHBondContact NZ-OD2 3.26Å; E41-D44 VanDerWaalsContact O-CB 3.31Å; E41-D44 WeakPolarHBondContact O-CB 3.42Å; E41-D44 PolarHBondContact O-N 3.14Å
45G64.6Low82Confident81 Ų8155.5 Ų55.584%0.83530%0.303SS*.THydrogen-bonded Turntrans-86.1-5.2174.800000114.6D43D43-G45 PolarHBondContact O-N 3.21Å
46E65.7Low81.8Confident72 Ų7258.3 Ų58.334%0.33633%0.326SS..SBendtrans-79.7152.8178.9-61.8-173.5166.500110.8D43 Y48 R204D43-E46 HydrophobicContact CB-CG 4.25Å; D43-E46 WeakPolarHBondContact O-CB 3.29Å; D43-E46 PolarHBondContact O-N 3.48Å; E46-Y48 PolarHBondContact O-N 2.83Å; E46-R204 IonicContact OE1-NH1 2.83Å; E46-R204 PolarHBondContact OE1-NH1 3.4Å; E46-R204 IonicContact OE2-CZ 2.82Å; E46-R204 IonicContact OE2-NH1 3.88Å; E46-R204 PolarHBondContact OE2-NH1 2.91Å; E46-R204 IonicContact OE2-NH2 3.66Å; E46-R204 PolarHBondContact OE2-NH2 2.93Å; E46-R204 VanDerWaalsContact OE2-NH2 3.1Å
47E57Low81.7Confident212 Ų21259.5 Ų59.599%0.99133%0.333SS*.SBendtrans-59.8-20.3179.7-168.9175.2-171.800112.8
48Y61.6Low81.8Confident164 Ų16458.6 Ų58.664%0.64333%0.328SS*.SBendtrans-129.495.2176.9-168.7-95.5000110.4E46 T50E46-Y48 PolarHBondContact O-N 2.83Å; Y48-T50 HydrophobicContact CD1-CG2 4.24Å; Y48-T50 HydrophobicContact CE1-CG2 4.31Å; Y48-T50 PolarHBondContact O-N 3Å
49C74.8Confident82Confident30 Ų3060.1 Ų60.120%0.20334%0.336CS..  trans-78.2114173.4175.10000109.8A52 A53C49-A52 HydrophobicContact CB-CB 4Å; C49-A52 PolarHBondContact O-N 3.48Å; C49-A52 PolarHBondContact SG-N 2.89Å; C49-A52 VanDerWaalsContact SG-N 3.45Å; C49-A53 PolarHBondContact O-N 3.45Å
50T79.6Confident82.4Confident39 Ų3962 Ų6224%0.23935%0.352CS..Hα-helixtrans-66.4-41.7-177.657.60000112D43 Y48 A52 A53 D54D43-T50 PolarHBondContact OD2-OG1 3.07Å; Y48-T50 HydrophobicContact CD1-CG2 4.24Å; Y48-T50 HydrophobicContact CE1-CG2 4.31Å; Y48-T50 PolarHBondContact O-N 3Å; T50-A52 VanDerWaalsContact C-N 3.32Å; T50-A52 PolarHBondContact O-N 3.37Å; T50-A53 PolarHBondContact O-N 3.05Å; T50-D54 PolarHBondContact O-N 2.87Å
51A84.6Confident82.8Confident16 Ų1661.4 Ų61.413%0.13235%0.35CS..Hα-helixtrans-61.4-37.8178.200000112.8F36 K38 D54 L55F36-A51 WeakPolarHBondContact CZ-O 3.49Å; K38-A51 HydrophobicContact CG-CB 4.47Å; A51-D54 PolarHBondContact O-N 3.23Å; A51-L55 WeakPolarHBondContact O-CB 3.44Å; A51-L55 PolarHBondContact O-N 2.92Å
52A87.2Confident83.5Confident56 Ų5657.4 Ų57.446%0.46333%0.331SS..Hα-helixtrans-65.9-39.6177.400000112.2C49 T50 A56C49-A52 HydrophobicContact CB-CB 4Å; C49-A52 PolarHBondContact O-N 3.48Å; C49-A52 PolarHBondContact SG-N 2.89Å; C49-A52 VanDerWaalsContact SG-N 3.45Å; T50-A52 VanDerWaalsContact C-N 3.32Å; T50-A52 PolarHBondContact O-N 3.37Å; A52-A56 PolarHBondContact O-N 2.64Å; A52-A56 VanDerWaalsContact O-N 3.07Å
53A88.9Confident84.5Confident31 Ų3157 Ų5726%0.25633%0.333SS..Hα-helixtrans-67.2-43175.200000111.7C49 T50 L55 A56 D57C49-A53 PolarHBondContact O-N 3.45Å; T50-A53 PolarHBondContact O-N 3.05Å; A53-L55 VanDerWaalsContact C-N 3.34Å; A53-L55 PolarHBondContact O-N 2.62Å; A53-A56 PolarHBondContact O-N 2.93Å; A53-D57 PolarHBondContact O-N 3.35Å
54D91.9Very high85.6Confident49 Ų4963.1 Ų63.126%0.26236%0.36SS..Hα-helixtrans-64.9-37.3177.2-74-20.2000112.2G14 F36 T50 A51 D57 A58 K192G14-D54 WeakPolarHBondContact CA-O 3.44Å; F36-D54 HydrophobicContact CE2-CB 3.81Å; F36-D54 HydrophobicContact CZ-CB 4.06Å; T50-D54 PolarHBondContact O-N 2.87Å; A51-D54 PolarHBondContact O-N 3.23Å; D54-D57 PolarHBondContact O-N 3.45Å; D54-A58 WeakPolarHBondContact O-CB 3.26Å; D54-A58 PolarHBondContact O-N 3.48Å; D54-K192 IonicContact OD1-NZ 2.72Å; D54-K192 PolarHBondContact OD1-NZ 3.31Å
55L94.2Very high86.9Confident57 Ų5760.9 Ų60.930%0.29835%0.347SS..Hα-helixtrans-64.1-44.1173.9176.259.9000111.5F36 A51 A53 D57 A58 Q59 L69F36-L55 HydrophobicContact CB-CD1 3.82Å; F36-L55 HydrophobicContact CD1-CB 4.17Å; F36-L55 HydrophobicContact CD1-CD1 3.75Å; F36-L55 HydrophobicContact CD1-CG 4.42Å; F36-L55 HydrophobicContact CD2-CB 4.29Å; F36-L55 HydrophobicContact CD2-CD1 4.13Å; F36-L55 HydrophobicContact CE1-CB 3.89Å; F36-L55 HydrophobicContact CE1-CD1 4.35Å; F36-L55 HydrophobicContact CE2-CB 4.05Å; F36-L55 HydrophobicContact CG-CB 4.36Å; F36-L55 HydrophobicContact CG-CD1 3.62Å; F36-L55 HydrophobicContact CZ-CB 3.84Å; A51-L55 WeakPolarHBondContact O-CB 3.44Å; A51-L55 PolarHBondContact O-N 2.92Å; A53-L55 VanDerWaalsContact C-N 3.34Å; A53-L55 PolarHBondContact O-N 2.62Å; L55-D57 VanDerWaalsContact C-N 3.34Å; L55-D57 PolarHBondContact O-N 3.48Å; L55-A58 PolarHBondContact O-N 3.47Å; L55-Q59 WeakPolarHBondContact O-CB 3.09Å; L55-Q59 PolarHBondContact O-N 3.03Å; L55-L69 HydrophobicContact CD1-CD2 4.21Å
56A95.4Very high88.5Confident58 Ų5860.3 Ų60.348%0.47934%0.341SS..Hα-helixtrans-61.6-42177.100000111.9A52 A53 Q59 A60A52-A56 PolarHBondContact O-N 2.64Å; A52-A56 VanDerWaalsContact O-N 3.07Å; A53-A56 PolarHBondContact O-N 2.93Å; A56-Q59 PolarHBondContact O-N 3.32Å; A56-A60 WeakPolarHBondContact O-CB 3.4Å; A56-A60 PolarHBondContact O-N 3.35Å
57D95.9Very high90Very high38 Ų3857.5 Ų57.520%0.20333%0.328CS..Hα-helixtrans-64.4-42.6174.7-78.5-19.4000111.8A53 D54 L55 A60 V61 V188 T189 K192A53-D57 PolarHBondContact O-N 3.35Å; D54-D57 PolarHBondContact O-N 3.45Å; L55-D57 VanDerWaalsContact C-N 3.34Å; L55-D57 PolarHBondContact O-N 3.48Å; D57-A60 PolarHBondContact O-N 2.77Å; D57-V61 WeakPolarHBondContact O-CG2 3.44Å; D57-V61 PolarHBondContact O-N 3.1Å; D57-V188 HydrophobicContact CB-CG1 4.44Å; D57-T189 HydrophobicContact CB-CG2 4.06Å; D57-K192 IonicContact OD2-NZ 3.45Å; D57-K192 PolarHBondContact OD2-NZ 3.03Å
58A97.2Very high92Very high0 Ų053 Ų530%031%0.307CS..Hα-helixtrans-61.3-45.4176.300000111.4M12 F36 D54 L55 V61 C62 L69M12-A58 HydrophobicContact CB-CB 4.11Å; F36-A58 HydrophobicContact CD2-CB 3.91Å; D54-A58 WeakPolarHBondContact O-CB 3.26Å; D54-A58 PolarHBondContact O-N 3.48Å; L55-A58 PolarHBondContact O-N 3.47Å; A58-V61 PolarHBondContact O-N 2.98Å; A58-C62 PolarHBondContact O-N 3.16Å; A58-C62 PolarHBondContact O-SG 3.07Å; A58-L69 HydrophobicContact CB-CD2 4.04Å
59Q98.3Very high93.8Very high74 Ų7446.3 Ų46.335%0.34628%0.283SS..Hα-helixtrans-60.8-48.6176.9-174.765.260.900111.1L55 A56 V61 C62 D63 L69L55-Q59 WeakPolarHBondContact O-CB 3.09Å; L55-Q59 PolarHBondContact O-N 3.03Å; A56-Q59 PolarHBondContact O-N 3.32Å; Q59-V61 VanDerWaalsContact C-N 3.26Å; Q59-V61 PolarHBondContact O-N 2.72Å; Q59-C62 PolarHBondContact O-N 2.88Å; Q59-D63 PolarHBondContact NE2-OD1 2.94Å; Q59-D63 VanDerWaalsContact O-CG 3.26Å; Q59-D63 PolarHBondContact O-N 3.14Å; Q59-L69 HydrophobicContact CB-CD2 4Å
60A98Very high94.9Very high43 Ų4346.7 Ų46.736%0.35528%0.281SS..Hα-helixtrans-60.3-35.8179.600000112.7A56 D57 K64 V188A56-A60 WeakPolarHBondContact O-CB 3.4Å; A56-A60 PolarHBondContact O-N 3.35Å; D57-A60 PolarHBondContact O-N 2.77Å; A60-K64 VanDerWaalsContact O-CB 3.31Å; A60-K64 WeakPolarHBondContact O-CB 3.02Å; A60-K64 PolarHBondContact O-N 3.06Å; A60-V188 HydrophobicContact CB-CG1 3.99Å
61V98.2Very high95.7Very high1 Ų148.7 Ų48.71%0.00629%0.294CS..Hα-helixtrans-68.5-45.7172.8169.30000111.1M12 S19 D57 A58 Q59 D63 K64 L65 V188 T189M12-V61 HydrophobicContact CE-CB 4.27Å; M12-V61 HydrophobicContact CE-CG1 3.6Å; S19-V61 WeakPolarHBondContact OG-CG2 3.43Å; D57-V61 WeakPolarHBondContact O-CG2 3.44Å; D57-V61 PolarHBondContact O-N 3.1Å; A58-V61 PolarHBondContact O-N 2.98Å; Q59-V61 VanDerWaalsContact C-N 3.26Å; Q59-V61 PolarHBondContact O-N 2.72Å; V61-D63 PolarHBondContact O-N 3.31Å; V61-K64 WeakPolarHBondContact O-CB 3.41Å; V61-K64 PolarHBondContact O-N 3.33Å; V61-L65 HydrophobicContact CG1-CD1 3.85Å; V61-L65 HydrophobicContact CG1-CG 4.28Å; V61-L65 WeakPolarHBondContact O-CG 3.47Å; V61-L65 PolarHBondContact O-N 2.96Å; V61-V188 HydrophobicContact CG2-CG1 4.21Å; V61-T189 HydrophobicContact CG2-CG2 3.91Å
62C98.5Very high96.3Very high0 Ų049 Ų490%029%0.294CS..Hα-helixtrans-62.1-43.6-179.2-66.50000111.6A58 Q59 K64 L65 G66 I67 L69A58-C62 PolarHBondContact O-N 3.16Å; A58-C62 PolarHBondContact O-SG 3.07Å; Q59-C62 PolarHBondContact O-N 2.88Å; C62-K64 VanDerWaalsContact C-N 3.31Å; C62-K64 PolarHBondContact O-N 2.9Å; C62-L65 CarbonylContact O-C 3.59Å; C62-L65 PolarHBondContact O-N 2.94Å; C62-G66 PolarHBondContact O-N 3.05Å; C62-I67 HydrophobicContact CB-CD1 4.44Å; C62-I67 HydrophobicContact CB-CG1 3.76Å; C62-I67 WeakPolarHBondContact CB-O 3.08Å; C62-I67 PolarHBondContact O-N 3.44Å; C62-L69 HydrophobicContact CB-CB 3.94Å
63D98.2Very high96.7Very high105 Ų10549.8 Ų49.856%0.56129%0.29SS*.Hα-helixtrans-59-42.6174.2-66.6-15000111.6Q59 V61 G66Q59-D63 PolarHBondContact NE2-OD1 2.94Å; Q59-D63 VanDerWaalsContact O-CG 3.26Å; Q59-D63 PolarHBondContact O-N 3.14Å; V61-D63 PolarHBondContact O-N 3.31Å; D63-G66 PolarHBondContact O-N 3.27Å
64K97.8Very high97.1Very high130 Ų13048.8 Ų48.857%0.56528%0.28SS*.Hα-helixtrans-66.1-36.6179.1-176.866.1171.4-171.70112.6A60 V61 C62 L185 L187A60-K64 VanDerWaalsContact O-CB 3.31Å; A60-K64 WeakPolarHBondContact O-CB 3.02Å; A60-K64 PolarHBondContact O-N 3.06Å; V61-K64 WeakPolarHBondContact O-CB 3.41Å; V61-K64 PolarHBondContact O-N 3.33Å; C62-K64 VanDerWaalsContact C-N 3.31Å; C62-K64 PolarHBondContact O-N 2.9Å; K64-L185 WeakPolarHBondContact CE-O 3.45Å; K64-L187 HydrophobicContact CB-CD2 4.48Å; K64-L187 HydrophobicContact CG-CD2 3.93Å
65L97.9Very high97.2Very high23 Ų2347 Ų4712%0.1227%0.273CS..Hα-helixtrans-85.7-10.6178.3-64.2-177.6000113.1A22 W23 Q26 V61 C62 I67 L187A22-L65 HydrophobicContact CB-CD1 3.96Å; W23-L65 HydrophobicContact CB-CD1 4.28Å; W23-L65 HydrophobicContact CB-CD2 4.03Å; W23-L65 HydrophobicContact CG-CD2 4.29Å; Q26-L65 PolarHBondContact NE2-O 3.47Å; V61-L65 HydrophobicContact CG1-CD1 3.85Å; V61-L65 HydrophobicContact CG1-CG 4.28Å; V61-L65 WeakPolarHBondContact O-CG 3.47Å; V61-L65 PolarHBondContact O-N 2.96Å; C62-L65 CarbonylContact O-C 3.59Å; C62-L65 PolarHBondContact O-N 2.94Å; L65-I67 HydrophobicContact CB-CD1 4.47Å; L65-I67 HydrophobicContact CB-CG1 4.25Å; L65-I67 HydrophobicContact CB-CG2 4.4Å; L65-I67 HydrophobicContact CD1-CD1 4.36Å; L65-L187 HydrophobicContact CD2-CD2 4.44Å
66G97.9Very high97.2Very high68 Ų6847.3 Ų47.370%0.70128%0.283SS*.THydrogen-bonded Turntrans6736.4-176.100000113.2C62 D63C62-G66 PolarHBondContact O-N 3.05Å; D63-G66 PolarHBondContact O-N 3.27Å
67I98Very high97.3Very high14 Ų1447.8 Ų47.87%0.07228%0.275CS..  trans-112148176.163.5178.5000110.7A22 Q26 V32 C62 L65A22-I67 HydrophobicContact CB-CD1 4.07Å; Q26-I67 HydrophobicContact CG-CG2 4.38Å; V32-I67 HydrophobicContact CB-CG2 4.17Å; V32-I67 HydrophobicContact CG1-CD1 4.06Å; V32-I67 HydrophobicContact CG1-CG2 4.24Å; V32-I67 WeakPolarHBondContact O-CB 3.26Å; V32-I67 VanDerWaalsContact O-CG2 3.26Å; V32-I67 WeakPolarHBondContact O-CG2 3.4Å; C62-I67 HydrophobicContact CB-CD1 4.44Å; C62-I67 HydrophobicContact CB-CG1 3.76Å; C62-I67 WeakPolarHBondContact CB-O 3.08Å; C62-I67 PolarHBondContact O-N 3.44Å; L65-I67 HydrophobicContact CB-CD1 4.47Å; L65-I67 HydrophobicContact CB-CG1 4.25Å; L65-I67 HydrophobicContact CB-CG2 4.4Å; L65-I67 HydrophobicContact CD1-CD1 4.36Å
68E98.3Very high97.2Very high117 Ų11746 Ų4655%0.54727%0.266SS..  trans-70.2140.9173.4-174.6171.4-173.500110.4E33 G34 H70E33-E68 HydrophobicContact CG-CB 4.2Å; G34-E68 PolarHBondContact N-O 2.98Å; E68-H70 IonicContact OE1-CE1 3.1Å; E68-H70 PolarHBondContact OE1-CE1 3.44Å
69L98.7Very high97.1Very high24 Ų2449.8 Ų49.813%0.12628%0.28CS..EExtended strand (participates in β ladder)trans-113.3116.6173.9-178.961.1000110M12 F36 L55 A58 Q59 C62M12-L69 HydrophobicContact CB-CD1 4.14Å; M12-L69 HydrophobicContact CG-CD1 4.23Å; F36-L69 HydrophobicContact CB-CD1 4.18Å; L55-L69 HydrophobicContact CD1-CD2 4.21Å; A58-L69 HydrophobicContact CB-CD2 4.04Å; Q59-L69 HydrophobicContact CB-CD2 4Å; C62-L69 HydrophobicContact CB-CB 3.94Å
70H98.4Very high96.9Very high37 Ų3750.5 Ų50.517%0.17129%0.286CS..EExtended strand (participates in β ladder)trans-87.3158.7168.9-59.8-72.8000110.3E33 G34 L35 F36 E68 L119E33-H70 IonicContact OE2-CD2 3.02Å; E33-H70 IonicContact OE2-CE1 2.64Å; E33-H70 IonicContact OE2-NE2 2.96Å; E33-H70 PolarHBondContact OE2-NE2 3.18Å; G34-H70 PolarHBondContact O-CD2 3.46Å; G34-H70 PolarHBondContact O-N 3.44Å; L35-H70 WeakPolarHBondContact CA-O 3.41Å; L35-H70 HydrophobicContact CD1-CB 3.49Å; L35-H70 VanDerWaalsContact CD1-CB 3.49Å; F36-H70 PolarHBondContact N-O 2.86Å; E68-H70 IonicContact OE1-CE1 3.1Å; E68-H70 PolarHBondContact OE1-CE1 3.44Å; H70-L119 HydrophobicContact CB-CD1 4.45Å
71T97.3Very high96.7Very high82 Ų8251.4 Ų51.450%0.50329%0.285SS..EExtended strand (participates in β ladder)trans-133136.2171.9-59.90000110F36F36-T71 HydrophobicContact CD1-CG2 4.24Å; F36-T71 WeakPolarHBondContact O-CA 3.48Å
72V97Very high96.6Very high22 Ų2251.4 Ų51.413%0.13329%0.285CS..EExtended strand (participates in β ladder)trans-135.9150.9174.468.30000109.6L35 F36 M37 K38 F74 F114L35-V72 HydrophobicContact CD1-CB 4.14Å; L35-V72 HydrophobicContact CD1-CG1 3.8Å; L35-V72 HydrophobicContact CD2-CG1 3.82Å; L35-V72 HydrophobicContact CG-CG1 3.99Å; F36-V72 PolarHBondContact O-N 3.02Å; M37-V72 WeakPolarHBondContact CA-O 3.24Å; M37-V72 HydrophobicContact CG-CG1 3.97Å; K38-V72 PolarHBondContact N-O 3.47Å; V72-F74 HydrophobicContact CB-CE2 4.45Å; V72-F74 HydrophobicContact CB-CZ 4.39Å; V72-F74 HydrophobicContact CG1-CD2 3.81Å; V72-F74 HydrophobicContact CG1-CE1 4.38Å; V72-F74 HydrophobicContact CG1-CE2 3.31Å; V72-F74 HydrophobicContact CG1-CZ 3.65Å; V72-F74 HydrophobicContact CG2-CD1 4.3Å; V72-F74 HydrophobicContact CG2-CE1 3.84Å; V72-F74 HydrophobicContact CG2-CE2 4.29Å; V72-F74 HydrophobicContact CG2-CZ 3.84Å; V72-F114 HydrophobicContact CB-CE1 4.24Å; V72-F114 HydrophobicContact CB-CZ 4.27Å; V72-F114 HydrophobicContact CG2-CD2 4.36Å; V72-F114 HydrophobicContact CG2-CE1 4.49Å; V72-F114 HydrophobicContact CG2-CE2 4.16Å; V72-F114 HydrophobicContact CG2-CZ 4.22Å
73N95.4Very high96.3Very high72 Ų7251.5 Ų51.539%0.38529%0.285SS..EExtended strand (participates in β ladder)trans-109113.8176.6-171.1-11000108.8K38 E41 A75K38-N73 CarbonylContact O-C 3.56Å; K38-N73 WeakPolarHBondContact O-CA 3.38Å; K38-N73 PolarHBondContact O-OD1 2.79Å; K38-N73 VanDerWaalsContact O-OD1 3.05Å; E41-N73 PolarHBondContact OE1-ND2 3.45Å; N73-A75 WeakPolarHBondContact OD1-CB 3.33Å; N73-A75 PolarHBondContact OD1-N 3.47Å
74F96.4Very high96Very high10 Ų1051.3 Ų51.34%0.04428%0.281CS..  trans-111.126.4171.8-57-60.9000112.1M37 K38 N39 V72 A76 E77 Y78 I106 A110 F111 F114M37-F74 HydrophobicContact CB-CD2 4.21Å; M37-F74 HydrophobicContact CG-CD2 3.95Å; M37-F74 HydrophobicContact CG-CE2 3.89Å; M37-F74 HydrophobicContact SD-CD2 4.13Å; M37-F74 HydrophobicContact SD-CE2 4.01Å; K38-F74 PolarHBondContact O-N 2.87Å; N39-F74 WeakPolarHBondContact OD1-CB 3.4Å; V72-F74 HydrophobicContact CB-CE2 4.45Å; V72-F74 HydrophobicContact CB-CZ 4.39Å; V72-F74 HydrophobicContact CG1-CD2 3.81Å; V72-F74 HydrophobicContact CG1-CE1 4.38Å; V72-F74 HydrophobicContact CG1-CE2 3.31Å; V72-F74 HydrophobicContact CG1-CZ 3.65Å; V72-F74 HydrophobicContact CG2-CD1 4.3Å; V72-F74 HydrophobicContact CG2-CE1 3.84Å; V72-F74 HydrophobicContact CG2-CE2 4.29Å; V72-F74 HydrophobicContact CG2-CZ 3.84Å; F74-A76 VanDerWaalsContact C-N 3.28Å; F74-A76 PolarHBondContact O-N 2.93Å; F74-E77 WeakPolarHBondContact CA-OE2 3.49Å; F74-E77 HydrophobicContact CB-CB 4.36Å; F74-E77 PolarHBondContact O-N 3Å; F74-Y78 VanDerWaalsContact O-CB 3.31Å; F74-Y78 WeakPolarHBondContact O-CB 3.41Å; F74-Y78 PolarHBondContact O-N 3.19Å; F74-I106 HydrophobicContact CB-CG2 4.25Å; F74-I106 HydrophobicContact CD2-CG2 4.12Å; F74-A110 HydrophobicContact CD1-CB 4.02Å; F74-A110 HydrophobicContact CE1-CB 3.88Å; F74-A110 HydrophobicContact CE2-CB 4.39Å; F74-A110 HydrophobicContact CG-CB 4.34Å; F74-A110 HydrophobicContact CZ-CB 4.08Å; F74-F111 HydrophobicContact CE2-CB 4.41Å; F74-F114 HydrophobicContact CZ-CB 3.96Å; F74-F114 HydrophobicContact CZ-CG 4.28Å
75A94.1Very high95.7Very high13 Ų1349.4 Ų49.411%0.10728%0.277CS..Hα-helixtrans-63.1-35-178.800000112.7K38 E41 N73 W79K38-A75 PolarHBondContact O-N 2.98Å; E41-A75 HydrophobicContact CG-CB 3.63Å; N73-A75 WeakPolarHBondContact OD1-CB 3.33Å; N73-A75 PolarHBondContact OD1-N 3.47Å; A75-W79 WeakPolarHBondContact O-CB 3.25Å; A75-W79 PolarHBondContact O-N 2.71Å
76A95Very high95.4Very high62 Ų6248.4 Ų48.451%0.51227%0.271SS..Hα-helixtrans-65.7-48.6175.600000111F74 Y78 W79 D80F74-A76 VanDerWaalsContact C-N 3.28Å; F74-A76 PolarHBondContact O-N 2.93Å; A76-Y78 VanDerWaalsContact C-N 3.31Å; A76-Y78 PolarHBondContact O-N 3.01Å; A76-W79 WeakPolarHBondContact O-CB 3.36Å; A76-W79 PolarHBondContact O-N 2.77Å; A76-W79 VanDerWaalsContact O-N 3.16Å; A76-D80 PolarHBondContact O-N 2.84Å
77E96.4Very high95Very high69 Ų6946.3 Ų46.332%0.32224%0.244SC..Hα-helixtrans-64.1-37.6178.7-63.987.1156.300111.7F74 N81 I106F74-E77 WeakPolarHBondContact CA-OE2 3.49Å; F74-E77 HydrophobicContact CB-CB 4.36Å; F74-E77 PolarHBondContact O-N 3Å; E77-N81 VanDerWaalsContact O-CB 3.25Å; E77-N81 WeakPolarHBondContact O-CB 3.37Å; E77-N81 PolarHBondContact O-N 2.88Å; E77-N81 PolarHBondContact O-ND2 3.09Å; E77-I106 HydrophobicContact CB-CD1 3.82Å
78Y95Very high94.7Very high1 Ų148.2 Ų48.20%0.00426%0.262CS..Hα-helixtrans-65.6-43.8174.1-176.4-83000110.9N39 W40 F74 A76 V82 F83 C102 I106 C199 F200 I201N39-Y78 HydrophobicContact CB-CD2 4.13Å; N39-Y78 HydrophobicContact CB-CG 4.27Å; N39-Y78 WeakPolarHBondContact O-CB 3.27Å; N39-Y78 WeakPolarHBondContact O-CD1 3.47Å; N39-Y78 VanDerWaalsContact O-CG 3.3Å; W40-Y78 AromaticContact CE3-CD1 3.77Å; W40-Y78 HydrophobicContact CE3-CD1 3.77Å; W40-Y78 AromaticContact CE3-CE1 3.62Å; W40-Y78 HydrophobicContact CE3-CE1 3.62Å; W40-Y78 HydrophobicContact CZ3-CD1 4.07Å; W40-Y78 AromaticContact CZ3-CE1 3.8Å; W40-Y78 HydrophobicContact CZ3-CE1 3.8Å; F74-Y78 VanDerWaalsContact O-CB 3.31Å; F74-Y78 WeakPolarHBondContact O-CB 3.41Å; F74-Y78 PolarHBondContact O-N 3.19Å; A76-Y78 VanDerWaalsContact C-N 3.31Å; A76-Y78 PolarHBondContact O-N 3.01Å; Y78-V82 HydrophobicContact CD2-CB 4.14Å; Y78-V82 HydrophobicContact CD2-CG1 4.36Å; Y78-V82 HydrophobicContact CD2-CG2 4.1Å; Y78-V82 HydrophobicContact CE1-CB 4.5Å; Y78-V82 HydrophobicContact CE1-CG1 4.42Å; Y78-V82 HydrophobicContact CE2-CB 4.12Å; Y78-V82 HydrophobicContact CE2-CG1 3.84Å; Y78-V82 HydrophobicContact CE2-CG2 4.34Å; Y78-V82 HydrophobicContact CG-CB 4.32Å; Y78-V82 WeakPolarHBondContact O-CA 3.05Å; Y78-V82 WeakPolarHBondContact O-CB 3.34Å; Y78-V82 PolarHBondContact O-N 3.02Å; Y78-F83 HydrophobicContact CD1-CB 4.44Å; Y78-F83 HydrophobicContact CE1-CB 4.26Å; Y78-F83 PolarHBondContact O-N 3.06Å; Y78-C102 HydrophobicContact CE2-CB 4.17Å; Y78-I106 HydrophobicContact CD2-CG1 4.08Å; Y78-C199 PolarHBondContact OH-O 2.99Å; Y78-F200 HydrophobicContact CD2-CD2 4.11Å; Y78-F200 AromaticContact CE2-CD2 3.88Å; Y78-F200 HydrophobicContact CE2-CD2 3.88Å; Y78-I201 HydrophobicContact CE1-CD1 4.05Å; Y78-I201 HydrophobicContact CE1-CG1 4.46Å; Y78-I201 WeakPolarHBondContact OH-CD1 3.49Å
79W94.1Very high94.3Very high78 Ų7844.5 Ų44.530%0.29524%0.244SC..Iπ-helixtrans-58.1-57.7177-175.1-87.1000110.9W40 E42 A75 A76 F83 E84 Y213W40-W79 HydrophobicContact CH2-CE3 4.24Å; W40-W79 AromaticContact CH2-CZ3 3.94Å; W40-W79 HydrophobicContact CH2-CZ3 3.94Å; W40-W79 HydrophobicContact CZ3-CE3 4.08Å; W40-W79 HydrophobicContact CZ3-CZ3 4.26Å; E42-W79 HydrophobicContact CG-CZ3 4.41Å; A75-W79 WeakPolarHBondContact O-CB 3.25Å; A75-W79 PolarHBondContact O-N 2.71Å; A76-W79 WeakPolarHBondContact O-CB 3.36Å; A76-W79 PolarHBondContact O-N 2.77Å; A76-W79 VanDerWaalsContact O-N 3.16Å; W79-F83 HydrophobicContact CD2-CD1 4.04Å; W79-F83 AromaticContact CE3-CD1 3.59Å; W79-F83 HydrophobicContact CE3-CD1 3.59Å; W79-F83 HydrophobicContact CE3-CE1 4.22Å; W79-F83 HydrophobicContact CE3-CG 4.39Å; W79-F83 AromaticContact CH2-CD1 3.74Å; W79-F83 HydrophobicContact CH2-CD1 3.74Å; W79-F83 AromaticContact CH2-CE1 3.68Å; W79-F83 HydrophobicContact CH2-CE1 3.68Å; W79-F83 HydrophobicContact CZ2-CD1 4.14Å; W79-F83 HydrophobicContact CZ2-CE1 4.38Å; W79-F83 AromaticContact CZ3-CD1 3.44Å; W79-F83 HydrophobicContact CZ3-CD1 3.44Å; W79-F83 VanDerWaalsContact CZ3-CD1 3.44Å; W79-F83 AromaticContact CZ3-CE1 3.58Å; W79-F83 HydrophobicContact CZ3-CE1 3.58Å; W79-F83 WeakPolarHBondContact O-CB 3.48Å; W79-F83 PolarHBondContact O-N 3.23Å; W79-F83 VanDerWaalsContact O-N 3.16Å; W79-E84 PolarHBondContact NE1-OE1 2.83Å; W79-E84 PolarHBondContact O-N 3.43Å; W79-Y213 HydrophobicContact CH2-CD1 4.27Å; W79-Y213 AromaticContact CH2-CE1 3.77Å; W79-Y213 HydrophobicContact CH2-CE1 3.77Å; W79-Y213 HydrophobicContact CZ3-CE1 4.3Å
80D94.7Very high93.8Very high90 Ų9044.1 Ų44.148%0.48124%0.241SC..Iπ-helixtrans-66.2-45.9-173.2-66.6-11.5000112.1A76A76-D80 PolarHBondContact O-N 2.84Å
81N94.7Very high93.2Very high62 Ų6250.3 Ų50.333%0.33227%0.268SS..Iπ-helixtrans-98-13.6-169.1-55.2-64.6000114.1E77 L85 E105E77-N81 VanDerWaalsContact O-CB 3.25Å; E77-N81 WeakPolarHBondContact O-CB 3.37Å; E77-N81 PolarHBondContact O-N 2.88Å; E77-N81 PolarHBondContact O-ND2 3.09Å; N81-L85 WeakPolarHBondContact O-CD1 3.35Å; N81-E105 HydrophobicContact CB-CB 3.93Å; N81-E105 HydrophobicContact CB-CG 3.96Å
82V94.3Very high92.6Very high0 Ų048.7 Ų48.70%026%0.263CS..Iπ-helixtrans-119.4-55.2-179.2-177.30000110.6Y78 F86 P98 L101 C102 E105 I106Y78-V82 HydrophobicContact CD2-CB 4.14Å; Y78-V82 HydrophobicContact CD2-CG1 4.36Å; Y78-V82 HydrophobicContact CD2-CG2 4.1Å; Y78-V82 HydrophobicContact CE1-CB 4.5Å; Y78-V82 HydrophobicContact CE1-CG1 4.42Å; Y78-V82 HydrophobicContact CE2-CB 4.12Å; Y78-V82 HydrophobicContact CE2-CG1 3.84Å; Y78-V82 HydrophobicContact CE2-CG2 4.34Å; Y78-V82 HydrophobicContact CG-CB 4.32Å; Y78-V82 WeakPolarHBondContact O-CA 3.05Å; Y78-V82 WeakPolarHBondContact O-CB 3.34Å; Y78-V82 PolarHBondContact O-N 3.02Å; V82-F86 VanDerWaalsContact O-CB 3.23Å; V82-F86 WeakPolarHBondContact O-CB 3.17Å; V82-F86 PolarHBondContact O-N 2.83Å; V82-P98 HydrophobicContact CG1-CB 4.32Å; V82-L101 HydrophobicContact CB-CB 4.37Å; V82-L101 HydrophobicContact CG1-CB 3.88Å; V82-L101 HydrophobicContact CG2-CB 4.22Å; V82-C102 HydrophobicContact CG1-CB 4.43Å; V82-E105 HydrophobicContact CG2-CB 4.33Å; V82-I106 HydrophobicContact CG2-CG1 4.09Å
83F92.3Very high92Very high2 Ų248.2 Ų48.21%0.00926%0.262CS..Iπ-helixtrans-75-43-168.8-166.2-118.6000113W40 Y78 W79 L85 F86 L87 I201 F209 Y213W40-F83 AromaticContact CH2-CD1 3.96Å; W40-F83 HydrophobicContact CH2-CD1 3.96Å; W40-F83 HydrophobicContact CH2-CD2 4.06Å; W40-F83 AromaticContact CH2-CE1 3.83Å; W40-F83 HydrophobicContact CH2-CE1 3.83Å; W40-F83 AromaticContact CH2-CE2 3.97Å; W40-F83 HydrophobicContact CH2-CE2 3.97Å; W40-F83 HydrophobicContact CH2-CG 4.07Å; W40-F83 AromaticContact CH2-CZ 3.84Å; W40-F83 HydrophobicContact CH2-CZ 3.84Å; W40-F83 HydrophobicContact CZ3-CB 4.33Å; W40-F83 HydrophobicContact CZ3-CD1 4.1Å; W40-F83 HydrophobicContact CZ3-CD2 4.04Å; W40-F83 HydrophobicContact CZ3-CE1 4.43Å; W40-F83 HydrophobicContact CZ3-CE2 4.4Å; W40-F83 AromaticContact CZ3-CG 3.89Å; W40-F83 HydrophobicContact CZ3-CG 3.89Å; Y78-F83 HydrophobicContact CD1-CB 4.44Å; Y78-F83 HydrophobicContact CE1-CB 4.26Å; Y78-F83 PolarHBondContact O-N 3.06Å; W79-F83 HydrophobicContact CD2-CD1 4.04Å; W79-F83 AromaticContact CE3-CD1 3.59Å; W79-F83 HydrophobicContact CE3-CD1 3.59Å; W79-F83 HydrophobicContact CE3-CE1 4.22Å; W79-F83 HydrophobicContact CE3-CG 4.39Å; W79-F83 AromaticContact CH2-CD1 3.74Å; W79-F83 HydrophobicContact CH2-CD1 3.74Å; W79-F83 AromaticContact CH2-CE1 3.68Å; W79-F83 HydrophobicContact CH2-CE1 3.68Å; W79-F83 HydrophobicContact CZ2-CD1 4.14Å; W79-F83 HydrophobicContact CZ2-CE1 4.38Å; W79-F83 AromaticContact CZ3-CD1 3.44Å; W79-F83 HydrophobicContact CZ3-CD1 3.44Å; W79-F83 VanDerWaalsContact CZ3-CD1 3.44Å; W79-F83 AromaticContact CZ3-CE1 3.58Å; W79-F83 HydrophobicContact CZ3-CE1 3.58Å; W79-F83 WeakPolarHBondContact O-CB 3.48Å; W79-F83 PolarHBondContact O-N 3.23Å; W79-F83 VanDerWaalsContact O-N 3.16Å; F83-L85 PolarHBondContact O-N 2.9Å; F83-F86 HydrophobicContact CD2-CD1 4.03Å; F83-F86 AromaticContact CE2-CD1 3.95Å; F83-F86 HydrophobicContact CE2-CD1 3.95Å; F83-F86 HydrophobicContact CE2-CE1 4.13Å; F83-F86 WeakPolarHBondContact O-CB 3.23Å; F83-F86 PolarHBondContact O-N 3.21Å; F83-L87 HydrophobicContact CD1-CD1 4.01Å; F83-L87 HydrophobicContact CD1-CG 4.42Å; F83-L87 HydrophobicContact CE1-CD1 3.64Å; F83-L87 HydrophobicContact CE1-CD2 4.44Å; F83-L87 HydrophobicContact CE1-CG 4.13Å; F83-L87 HydrophobicContact CE2-CD2 4.38Å; F83-L87 HydrophobicContact CE2-CG 4.46Å; F83-L87 HydrophobicContact CZ-CD1 4.08Å; F83-L87 HydrophobicContact CZ-CD2 4.02Å; F83-L87 HydrophobicContact CZ-CG 4.14Å; F83-L87 WeakPolarHBondContact O-CG 3.33Å; F83-L87 PolarHBondContact O-N 2.92Å; F83-I201 HydrophobicContact CD2-CD1 4.32Å; F83-I201 HydrophobicContact CE2-CD1 4.36Å; F83-F209 AromaticContact CE2-CE1 3.71Å; F83-F209 HydrophobicContact CE2-CE1 3.71Å; F83-F209 AromaticContact CE2-CZ 3.54Å; F83-F209 HydrophobicContact CE2-CZ 3.54Å; F83-F209 HydrophobicContact CZ-CE1 4.04Å; F83-F209 AromaticContact CZ-CZ 3.67Å; F83-F209 HydrophobicContact CZ-CZ 3.67Å; F83-Y213 AromaticContact CE1-CD1 3.97Å; F83-Y213 HydrophobicContact CE1-CD1 3.97Å; F83-Y213 HydrophobicContact CE1-CD2 4.17Å; F83-Y213 AromaticContact CE1-CE1 3.88Å; F83-Y213 HydrophobicContact CE1-CE1 3.88Å; F83-Y213 HydrophobicContact CE1-CE2 4.07Å; F83-Y213 HydrophobicContact CE1-CG 4.12Å; F83-Y213 AromaticContact CE1-CZ 3.93Å; F83-Y213 HydrophobicContact CZ-CD1 4.34Å; F83-Y213 AromaticContact CZ-CD2 3.7Å; F83-Y213 HydrophobicContact CZ-CD2 3.7Å; F83-Y213 HydrophobicContact CZ-CE1 4.28Å; F83-Y213 AromaticContact CZ-CE2 3.61Å; F83-Y213 HydrophobicContact CZ-CE2 3.61Å; F83-Y213 HydrophobicContact CZ-CG 4.07Å; F83-Y213 AromaticContact CZ-CZ 3.93Å
84E92.8Very high91.7Very high102 Ų10248.6 Ų48.648%0.47726%0.258SS..Hα-helixtrans-62.1-44.2177.2-69.3-161156.200112.1W79 F86 L87 A88W79-E84 PolarHBondContact NE1-OE1 2.83Å; W79-E84 PolarHBondContact O-N 3.43Å; E84-F86 VanDerWaalsContact C-N 3.34Å; E84-F86 PolarHBondContact O-N 2.78Å; E84-L87 PolarHBondContact O-N 3.05Å; E84-A88 WeakPolarHBondContact O-CB 3.33Å; E84-A88 PolarHBondContact O-N 2.98Å
85L92.1Very high91.2Very high89 Ų8948.4 Ų48.447%0.46626%0.258SS..Hα-helixtrans-60.9-44.5174.7-67.6-177.4000111.5N81 F83 L87 A88 E89 L101N81-L85 WeakPolarHBondContact O-CD1 3.35Å; F83-L85 PolarHBondContact O-N 2.9Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-L87 PolarHBondContact O-N 3.48Å; L85-A88 PolarHBondContact O-N 3.36Å; L85-E89 WeakPolarHBondContact O-CB 3.33Å; L85-E89 WeakPolarHBondContact O-CG 3.4Å; L85-E89 PolarHBondContact O-N 3.22Å; L85-L101 HydrophobicContact CB-CD1 4.12Å; L85-L101 HydrophobicContact CD1-CD2 4.46Å
86F90.9Very high90.9Very high2 Ų248.3 Ų48.31%0.00926%0.256CS..Hα-helixtrans-56.6-46.3175.4167.9-93000111.8V82 F83 E84 E89 Y90 P96 P98 I198 F206 L210V82-F86 VanDerWaalsContact O-CB 3.23Å; V82-F86 WeakPolarHBondContact O-CB 3.17Å; V82-F86 PolarHBondContact O-N 2.83Å; F83-F86 HydrophobicContact CD2-CD1 4.03Å; F83-F86 AromaticContact CE2-CD1 3.95Å; F83-F86 HydrophobicContact CE2-CD1 3.95Å; F83-F86 HydrophobicContact CE2-CE1 4.13Å; F83-F86 WeakPolarHBondContact O-CB 3.23Å; F83-F86 PolarHBondContact O-N 3.21Å; E84-F86 VanDerWaalsContact C-N 3.34Å; E84-F86 PolarHBondContact O-N 2.78Å; F86-E89 PolarHBondContact O-N 2.85Å; F86-Y90 HydrophobicContact CD1-CD2 4.29Å; F86-Y90 HydrophobicContact CD2-CD2 4.11Å; F86-Y90 AromaticContact CD2-CE2 3.82Å; F86-Y90 HydrophobicContact CD2-CE2 3.82Å; F86-Y90 HydrophobicContact CE1-CD2 4Å; F86-Y90 HydrophobicContact CE1-CE2 4.09Å; F86-Y90 AromaticContact CE2-CD2 3.86Å; F86-Y90 HydrophobicContact CE2-CD2 3.86Å; F86-Y90 AromaticContact CE2-CE2 3.25Å; F86-Y90 HydrophobicContact CE2-CE2 3.25Å; F86-Y90 HydrophobicContact CG-CD2 4.33Å; F86-Y90 HydrophobicContact CG-CE2 4.47Å; F86-Y90 AromaticContact CZ-CD2 3.76Å; F86-Y90 HydrophobicContact CZ-CD2 3.76Å; F86-Y90 AromaticContact CZ-CE2 3.37Å; F86-Y90 HydrophobicContact CZ-CE2 3.37Å; F86-Y90 WeakPolarHBondContact O-CD2 3.35Å; F86-Y90 PolarHBondContact O-N 3.2Å; F86-Y90 VanDerWaalsContact O-N 3.15Å; F86-P96 HydrophobicContact CD2-CG 3.67Å; F86-P96 HydrophobicContact CE2-CG 4.27Å; F86-P96 HydrophobicContact CG-CG 4.34Å; F86-P98 HydrophobicContact CD2-CB 3.69Å; F86-P98 HydrophobicContact CD2-CG 3.76Å; F86-P98 HydrophobicContact CE2-CB 4.1Å; F86-P98 HydrophobicContact CE2-CG 3.65Å; F86-P98 HydrophobicContact CG-CB 4.37Å; F86-I198 HydrophobicContact CZ-CD1 4.21Å; F86-F206 HydrophobicContact CE2-CE2 4.5Å; F86-F206 HydrophobicContact CE2-CZ 4.46Å; F86-F206 AromaticContact CZ-CE2 3.82Å; F86-F206 HydrophobicContact CZ-CE2 3.82Å; F86-F206 AromaticContact CZ-CZ 3.83Å; F86-F206 HydrophobicContact CZ-CZ 3.83Å; F86-L210 HydrophobicContact CE1-CD2 3.58Å; F86-L210 HydrophobicContact CZ-CD2 4.11Å
87L89.9Confident90.7Very high25 Ų2546.7 Ų46.713%0.13124%0.239CC..Hα-helixtrans-65.6-41.1177.1-67.3179.3000112.5F83 E84 L85 E89 Y90 K91 L210 Y213 L214F83-L87 HydrophobicContact CD1-CD1 4.01Å; F83-L87 HydrophobicContact CD1-CG 4.42Å; F83-L87 HydrophobicContact CE1-CD1 3.64Å; F83-L87 HydrophobicContact CE1-CD2 4.44Å; F83-L87 HydrophobicContact CE1-CG 4.13Å; F83-L87 HydrophobicContact CE2-CD2 4.38Å; F83-L87 HydrophobicContact CE2-CG 4.46Å; F83-L87 HydrophobicContact CZ-CD1 4.08Å; F83-L87 HydrophobicContact CZ-CD2 4.02Å; F83-L87 HydrophobicContact CZ-CG 4.14Å; F83-L87 WeakPolarHBondContact O-CG 3.33Å; F83-L87 PolarHBondContact O-N 2.92Å; E84-L87 PolarHBondContact O-N 3.05Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-L87 PolarHBondContact O-N 3.48Å; L87-E89 PolarHBondContact O-N 2.83Å; L87-Y90 PolarHBondContact O-N 2.84Å; L87-K91 WeakPolarHBondContact O-CB 3.31Å; L87-K91 PolarHBondContact O-N 2.95Å; L87-L210 HydrophobicContact CD2-CD2 3.95Å; L87-Y213 HydrophobicContact CD1-CD1 4.44Å; L87-Y213 HydrophobicContact CD1-CG 4.19Å; L87-Y213 HydrophobicContact CD2-CG 4.35Å; L87-L214 HydrophobicContact CD2-CD1 4.29Å; L87-L214 HydrophobicContact CD2-CG 4.19Å
88A91Very high90.5Very high53 Ų5344 Ų4444%0.43823%0.228SC..Hα-helixtrans-61.3-43.517800000111.9E84 L85 K91 A92E84-A88 WeakPolarHBondContact O-CB 3.33Å; E84-A88 PolarHBondContact O-N 2.98Å; L85-A88 PolarHBondContact O-N 3.36Å; A88-K91 WeakPolarHBondContact O-CB 3.45Å; A88-K91 PolarHBondContact O-N 3.01Å; A88-A92 PolarHBondContact O-N 3.07Å
89E90.5Very high90.4Very high40 Ų4045.8 Ų45.819%0.18724%0.237CC..Hα-helixtrans-64.6-41.4177.3-73.5-62.1121.200112.4L85 F86 L87 K91 A92 G93 R94 P96L85-E89 WeakPolarHBondContact O-CB 3.33Å; L85-E89 WeakPolarHBondContact O-CG 3.4Å; L85-E89 PolarHBondContact O-N 3.22Å; F86-E89 PolarHBondContact O-N 2.85Å; L87-E89 PolarHBondContact O-N 2.83Å; E89-K91 VanDerWaalsContact C-N 3.35Å; E89-A92 CarbonylContact O-C 3.54Å; E89-A92 PolarHBondContact O-N 2.83Å; E89-G93 PolarHBondContact O-N 2.82Å; E89-R94 WeakPolarHBondContact O-CB 3.24Å; E89-R94 PolarHBondContact O-N 2.83Å; E89-R94 IonicContact OE1-CZ 2.71Å; E89-R94 IonicContact OE1-NE 2.76Å; E89-R94 IonicContact OE1-NH2 3.64Å; E89-R94 PolarHBondContact OE1-NH2 2.95Å; E89-R94 IonicContact OE2-CZ 3.32Å; E89-R94 IonicContact OE2-NE 3.54Å; E89-R94 PolarHBondContact OE2-NE 3.42Å; E89-R94 IonicContact OE2-NH2 2.67Å; E89-R94 PolarHBondContact OE2-NH2 2.89Å; E89-P96 HydrophobicContact CB-CB 3.8Å; E89-P96 HydrophobicContact CB-CG 3.62Å; E89-P96 HydrophobicContact CG-CB 4.12Å; E89-P96 HydrophobicContact CG-CG 4.44Å
90Y87.2Confident90.5Very high15 Ų1542.3 Ų42.36%0.05922%0.224CC..Hα-helixtrans-64.5-39.5173.5-91.8-70000112.7F86 L87 A92 G93 P96 F206 L210 M236F86-Y90 HydrophobicContact CD1-CD2 4.29Å; F86-Y90 HydrophobicContact CD2-CD2 4.11Å; F86-Y90 AromaticContact CD2-CE2 3.82Å; F86-Y90 HydrophobicContact CD2-CE2 3.82Å; F86-Y90 HydrophobicContact CE1-CD2 4Å; F86-Y90 HydrophobicContact CE1-CE2 4.09Å; F86-Y90 AromaticContact CE2-CD2 3.86Å; F86-Y90 HydrophobicContact CE2-CD2 3.86Å; F86-Y90 AromaticContact CE2-CE2 3.25Å; F86-Y90 HydrophobicContact CE2-CE2 3.25Å; F86-Y90 HydrophobicContact CG-CD2 4.33Å; F86-Y90 HydrophobicContact CG-CE2 4.47Å; F86-Y90 AromaticContact CZ-CD2 3.76Å; F86-Y90 HydrophobicContact CZ-CD2 3.76Å; F86-Y90 AromaticContact CZ-CE2 3.37Å; F86-Y90 HydrophobicContact CZ-CE2 3.37Å; F86-Y90 WeakPolarHBondContact O-CD2 3.35Å; F86-Y90 PolarHBondContact O-N 3.2Å; F86-Y90 VanDerWaalsContact O-N 3.15Å; L87-Y90 PolarHBondContact O-N 2.84Å; Y90-A92 PolarHBondContact O-N 2.83Å; Y90-G93 PolarHBondContact O-N 3.42Å; Y90-P96 HydrophobicContact CD2-CG 3.77Å; Y90-P96 VanDerWaalsContact CE2-CD 3.47Å; Y90-P96 HydrophobicContact CE2-CG 3.61Å; Y90-F206 AromaticContact CE1-CE1 3.93Å; Y90-F206 HydrophobicContact CE1-CE1 3.93Å; Y90-F206 HydrophobicContact CE1-CZ 4.04Å; Y90-F206 HydrophobicContact CE2-CE1 4.45Å; Y90-F206 AromaticContact CE2-CZ 3.75Å; Y90-F206 HydrophobicContact CE2-CZ 3.75Å; Y90-F206 AromaticContact CZ-CE1 3.71Å; Y90-F206 AromaticContact CZ-CZ 3.37Å; Y90-F206 WeakPolarHBondContact OH-CE1 3.38Å; Y90-F206 WeakPolarHBondContact OH-CZ 3.43Å; Y90-L210 HydrophobicContact CD1-CD1 4.08Å; Y90-L210 HydrophobicContact CD2-CD1 4.42Å; Y90-L210 HydrophobicContact CD2-CD2 4.42Å; Y90-L210 HydrophobicContact CE1-CD1 4.19Å; Y90-L210 HydrophobicContact CG-CD1 4.18Å; Y90-M236 HydrophobicContact CD1-CB 3.9Å; Y90-M236 WeakPolarHBondContact CD1-O 3.29Å; Y90-M236 VanDerWaalsContact CE1-O 3.22Å; Y90-M236 WeakPolarHBondContact CE1-O 3.13Å; Y90-M236 WeakPolarHBondContact O-CB 3.28Å
91K85.4Confident90.4Very high168 Ų16839.7 Ų39.773%0.7321%0.21SC*.Hα-helixtrans-62.7-31174.9-171.7-180179.6-178.40111.9L87 A88 E89 G93 L214L87-K91 WeakPolarHBondContact O-CB 3.31Å; L87-K91 PolarHBondContact O-N 2.95Å; A88-K91 WeakPolarHBondContact O-CB 3.45Å; A88-K91 PolarHBondContact O-N 3.01Å; E89-K91 VanDerWaalsContact C-N 3.35Å; K91-G93 PolarHBondContact O-N 2.83Å; K91-L214 HydrophobicContact CB-CD2 4.3Å
92A85.1Confident90.5Very high48 Ų4836.7 Ų36.740%0.39719%0.194SC..THydrogen-bonded Turntrans-78.65.8172.600000113.9A88 E89 Y90 R94A88-A92 PolarHBondContact O-N 3.07Å; E89-A92 CarbonylContact O-C 3.54Å; E89-A92 PolarHBondContact O-N 2.83Å; Y90-A92 PolarHBondContact O-N 2.83Å; A92-R94 PolarHBondContact O-N 2.61Å
93G84.3Confident90.6Very high12 Ų1236.9 Ų36.912%0.12420%0.195CC..THydrogen-bonded Turntrans77.72.2179.700000114.8E89 Y90 K91 K264E89-G93 PolarHBondContact O-N 2.82Å; Y90-G93 PolarHBondContact O-N 3.42Å; K91-G93 PolarHBondContact O-N 2.83Å; G93-K264 PolarHBondContact O-NZ 3.39Å
94R88.8Confident90.7Very high79 Ų7939.3 Ų39.330%0.29821%0.206SC..  trans-83.7172.5178.5-64.6-166.8-74.2-138.21.7111E89 A92 P342E89-R94 WeakPolarHBondContact O-CB 3.24Å; E89-R94 PolarHBondContact O-N 2.83Å; E89-R94 IonicContact OE1-CZ 2.71Å; E89-R94 IonicContact OE1-NE 2.76Å; E89-R94 IonicContact OE1-NH2 3.64Å; E89-R94 PolarHBondContact OE1-NH2 2.95Å; E89-R94 IonicContact OE2-CZ 3.32Å; E89-R94 IonicContact OE2-NE 3.54Å; E89-R94 PolarHBondContact OE2-NE 3.42Å; E89-R94 IonicContact OE2-NH2 2.67Å; E89-R94 PolarHBondContact OE2-NH2 2.89Å; A92-R94 PolarHBondContact O-N 2.61Å; R94-P342 HydrophobicContact CG-CB 4.46Å
95T86.4Confident90.9Very high7 Ų735.7 Ų35.74%0.04319%0.189CC..  trans-126.887.8178.5-55.60000108.7T239 P342 G343 Q344T95-T239 HydrophobicContact CG2-CG2 4.1Å; T95-T239 PolarHBondContact OG1-OG1 2.74Å; T95-P342 PolarHBondContact N-O 2.95Å; T95-G343 CarbonylContact O-C 3.59Å; T95-Q344 PolarHBondContact O-N 3Å; T95-Q344 PolarHBondContact O-NE2 3.01Å
96P88.7Confident91.2Very high11 Ų1131.5 Ų31.57%0.07117%0.167CC..  trans-70.3166.9178.534.1-40.1000111.6F86 E89 Y90F86-P96 HydrophobicContact CD2-CG 3.67Å; F86-P96 HydrophobicContact CE2-CG 4.27Å; F86-P96 HydrophobicContact CG-CG 4.34Å; E89-P96 HydrophobicContact CB-CB 3.8Å; E89-P96 HydrophobicContact CB-CG 3.62Å; E89-P96 HydrophobicContact CG-CB 4.12Å; E89-P96 HydrophobicContact CG-CG 4.44Å; Y90-P96 HydrophobicContact CD2-CG 3.77Å; Y90-P96 VanDerWaalsContact CE2-CD 3.47Å; Y90-P96 HydrophobicContact CE2-CG 3.61Å
97N90.4Very high91.4Very high27 Ų2732.8 Ų32.814%0.14417%0.172CC..  trans-114.5102.2169.1-170.3-33.5000109.9D99 I100N97-D99 PolarHBondContact O-N 3.33Å; N97-D99 WeakPolarHBondContact OD1-CB 3.35Å; N97-D99 PolarHBondContact OD1-N 3.34Å; N97-D99 VanDerWaalsContact OD1-N 3.13Å; N97-I100 HydrophobicContact CB-CD1 3.69Å; N97-I100 HydrophobicContact CB-CG1 4.14Å; N97-I100 PolarHBondContact O-N 3.25Å
98P91.4Very high91.8Very high13 Ų1331.6 Ų31.68%0.08417%0.166CC..Hα-helixtrans-64.8-25.1-175.826.5-34.3000112.8V82 F86 I100 L101 C102 I198V82-P98 HydrophobicContact CG1-CB 4.32Å; F86-P98 HydrophobicContact CD2-CB 3.69Å; F86-P98 HydrophobicContact CD2-CG 3.76Å; F86-P98 HydrophobicContact CE2-CB 4.1Å; F86-P98 HydrophobicContact CE2-CG 3.65Å; F86-P98 HydrophobicContact CG-CB 4.37Å; P98-I100 VanDerWaalsContact C-N 3.28Å; P98-I100 PolarHBondContact O-N 3.47Å; P98-L101 PolarHBondContact O-N 2.86Å; P98-C102 VanDerWaalsContact O-CB 3.25Å; P98-C102 WeakPolarHBondContact O-CB 3.43Å; P98-C102 PolarHBondContact O-N 3.41Å; P98-I198 HydrophobicContact CB-CG2 4.03Å; P98-I198 HydrophobicContact CG-CG1 4.27Å; P98-I198 HydrophobicContact CG-CG2 3.64Å
99D93.5Very high92.1Very high39 Ų3932.9 Ų32.921%0.20916%0.162CC..Hα-helixtrans-67.9-31.2179.8-66.2-3.9000111.6N97 N103 F154 C199N97-D99 PolarHBondContact O-N 3.33Å; N97-D99 WeakPolarHBondContact OD1-CB 3.35Å; N97-D99 PolarHBondContact OD1-N 3.34Å; N97-D99 VanDerWaalsContact OD1-N 3.13Å; D99-N103 PolarHBondContact O-N 2.66Å; D99-N103 PolarHBondContact O-ND2 3.25Å; D99-F154 HydrophobicContact CB-CD1 3.83Å; D99-F154 HydrophobicContact CB-CE1 4.02Å; D99-C199 VanDerWaalsContact OD1-CB 3.26Å; D99-C199 WeakPolarHBondContact OD1-CB 3.35Å; D99-C199 PolarHBondContact OD1-N 2.99Å
100I95.3Very high92.4Very high5 Ų531.5 Ų31.53%0.02616%0.158CC..Hα-helixtrans-67.1-45.8175.3-66.8169.2000110.1N97 P98 N103 K104 Y153 F154 Y156 T157 S345N97-I100 HydrophobicContact CB-CD1 3.69Å; N97-I100 HydrophobicContact CB-CG1 4.14Å; N97-I100 PolarHBondContact O-N 3.25Å; P98-I100 VanDerWaalsContact C-N 3.28Å; P98-I100 PolarHBondContact O-N 3.47Å; I100-N103 PolarHBondContact O-N 2.92Å; I100-K104 WeakPolarHBondContact O-CB 3.45Å; I100-K104 PolarHBondContact O-N 2.9Å; I100-Y153 HydrophobicContact CD1-CD1 4.48Å; I100-Y153 HydrophobicContact CD1-CE1 3.88Å; I100-F154 HydrophobicContact CG1-CD1 4.09Å; I100-Y156 HydrophobicContact CD1-CE1 3.92Å; I100-Y156 HydrophobicContact CG1-CE1 4.43Å; I100-Y156 HydrophobicContact CG2-CD1 4.29Å; I100-Y156 HydrophobicContact CG2-CE1 3.61Å; I100-T157 HydrophobicContact CG2-CG2 3.78Å; I100-S345 WeakPolarHBondContact CD1-OG 3.44Å
101L94.2Very high92.9Very high34 Ų3430.8 Ų30.818%0.17816%0.155CC..Hα-helixtrans-64.3-42.8176.6-68.8175.3000111.3V82 L85 P98 N103 K104 E105V82-L101 HydrophobicContact CB-CB 4.37Å; V82-L101 HydrophobicContact CG1-CB 3.88Å; V82-L101 HydrophobicContact CG2-CB 4.22Å; L85-L101 HydrophobicContact CB-CD1 4.12Å; L85-L101 HydrophobicContact CD1-CD2 4.46Å; P98-L101 PolarHBondContact O-N 2.86Å; L101-N103 PolarHBondContact O-N 2.7Å; L101-K104 PolarHBondContact O-N 3.3Å; L101-E105 WeakPolarHBondContact O-CB 3.36Å; L101-E105 PolarHBondContact O-N 3.07Å
102C95Very high93.5Very high0 Ų023.5 Ų23.50%012%0.124CC..Hα-helixtrans-57.5-45.1174.5168.20000112.5Y78 V82 P98 I106 K107 C199 F200Y78-C102 HydrophobicContact CE2-CB 4.17Å; V82-C102 HydrophobicContact CG1-CB 4.43Å; P98-C102 VanDerWaalsContact O-CB 3.25Å; P98-C102 WeakPolarHBondContact O-CB 3.43Å; P98-C102 PolarHBondContact O-N 3.41Å; C102-I106 WeakPolarHBondContact O-CA 3.2Å; C102-I106 VanDerWaalsContact O-CB 3.29Å; C102-I106 WeakPolarHBondContact O-CB 3.36Å; C102-I106 PolarHBondContact O-N 3.48Å; C102-K107 PolarHBondContact O-N 2.99Å; C102-K107 VanDerWaalsContact O-N 3.11Å; C102-C199 VanDerWaalsContact SG-SG 3.64Å; C102-F200 WeakPolarHBondContact SG-CE2 3.14Å
103N96.6Very high94.1Very high4 Ų426 Ų262%0.02113%0.127CC..Iπ-helixtrans-64.4-46.1174.8-74-57.6000110.9D99 I100 L101 K107 F108 H128 L155D99-N103 PolarHBondContact O-N 2.66Å; D99-N103 PolarHBondContact O-ND2 3.25Å; I100-N103 PolarHBondContact O-N 2.92Å; L101-N103 PolarHBondContact O-N 2.7Å; N103-K107 WeakPolarHBondContact OD1-CD 3.41Å; N103-K107 PolarHBondContact OD1-NZ 3.42Å; N103-F108 HydrophobicContact CB-CD2 4.15Å; N103-F108 HydrophobicContact CB-CE2 4.29Å; N103-F108 VanDerWaalsContact O-CD2 3.31Å; N103-F108 WeakPolarHBondContact O-CD2 3.34Å; N103-F108 PolarHBondContact O-N 3.22Å; N103-H128 PolarHBondContact OD1-CE1 3.09Å; N103-H128 PolarHBondContact OD1-NE2 2.94Å; N103-H128 VanDerWaalsContact OD1-NE2 3.17Å; N103-L155 HydrophobicContact CB-CD1 4.38Å
104K96.1Very high94.7Very high53 Ų5327.5 Ų27.523%0.2313%0.13CC..Iπ-helixtrans-60.2-50.8-178.7-175-176171.1-177.10113I100 L101 K109 T157 H293I100-K104 WeakPolarHBondContact O-CB 3.45Å; I100-K104 PolarHBondContact O-N 2.9Å; L101-K104 PolarHBondContact O-N 3.3Å; K104-K109 WeakPolarHBondContact O-CB 3.49Å; K104-T157 HydrophobicContact CD-CG2 4.28Å; K104-H293 PolarHBondContact NZ-CE1 2.95Å; K104-H293 PolarHBondContact NZ-NE2 3.47Å
105E96.7Very high95.2Very high26 Ų2623.8 Ų23.812%0.12112%0.116CC..Iπ-helixtrans-97-29.4-167.3-59.2-59.5151.100113.1N81 V82 L101 K109 A110N81-E105 HydrophobicContact CB-CB 3.93Å; N81-E105 HydrophobicContact CB-CG 3.96Å; V82-E105 HydrophobicContact CG2-CB 4.33Å; L101-E105 WeakPolarHBondContact O-CB 3.36Å; L101-E105 PolarHBondContact O-N 3.07Å; E105-K109 WeakPolarHBondContact O-CB 3.23Å; E105-K109 WeakPolarHBondContact OE2-CD 3.24Å; E105-K109 IonicContact OE2-NZ 3.33Å; E105-K109 PolarHBondContact OE2-NZ 2.89Å; E105-A110 PolarHBondContact O-N 3.39Å
106I97.1Very high95.7Very high0 Ų025.4 Ų25.40%013%0.131CC..Iπ-helixtrans-103.6-63.8-176.3-50.5-58.4000110.7F74 E77 Y78 V82 C102 F108 A110 F111F74-I106 HydrophobicContact CB-CG2 4.25Å; F74-I106 HydrophobicContact CD2-CG2 4.12Å; E77-I106 HydrophobicContact CB-CD1 3.82Å; Y78-I106 HydrophobicContact CD2-CG1 4.08Å; V82-I106 HydrophobicContact CG2-CG1 4.09Å; C102-I106 WeakPolarHBondContact O-CA 3.2Å; C102-I106 VanDerWaalsContact O-CB 3.29Å; C102-I106 WeakPolarHBondContact O-CB 3.36Å; C102-I106 PolarHBondContact O-N 3.48Å; I106-F108 PolarHBondContact O-N 3.02Å; I106-A110 PolarHBondContact O-N 2.78Å; I106-F111 WeakPolarHBondContact O-CB 3.29Å; I106-F111 PolarHBondContact O-N 2.53Å
107K95.9Very high96Very high29 Ų2932.5 Ų32.513%0.12616%0.163CC..Iπ-helixtrans-73.4-28.8-168.2-60-170.3-162.6157.60114.6M37 C102 N103 F111 I124 H128M37-K107 HydrophobicContact CE-CG 4.48Å; C102-K107 PolarHBondContact O-N 2.99Å; C102-K107 VanDerWaalsContact O-N 3.11Å; N103-K107 WeakPolarHBondContact OD1-CD 3.41Å; N103-K107 PolarHBondContact OD1-NZ 3.42Å; K107-F111 WeakPolarHBondContact O-CB 3.36Å; K107-F111 WeakPolarHBondContact O-CD1 3.5Å; K107-I124 WeakPolarHBondContact O-CD1 3.35Å; K107-H128 PolarHBondContact NZ-NE2 3.06Å; K107-H128 VanDerWaalsContact NZ-NE2 3.2Å
108F97.6Very high96.4Very high0 Ų036.3 Ų36.30%018%0.183CC..Iπ-helixtrans-119.714.7-177.7-62.8-81.2000113N103 I106 I124 T126 H128 L155 L158 Q162 S166 F168N103-F108 HydrophobicContact CB-CD2 4.15Å; N103-F108 HydrophobicContact CB-CE2 4.29Å; N103-F108 VanDerWaalsContact O-CD2 3.31Å; N103-F108 WeakPolarHBondContact O-CD2 3.34Å; N103-F108 PolarHBondContact O-N 3.22Å; I106-F108 PolarHBondContact O-N 3.02Å; F108-I124 HydrophobicContact CD1-CD1 3.86Å; F108-I124 HydrophobicContact CE1-CD1 4.2Å; F108-T126 HydrophobicContact CE1-CG2 4.29Å; F108-T126 HydrophobicContact CZ-CG2 3.96Å; F108-H128 AromaticContact CZ-ND1 3.9Å; F108-L155 HydrophobicContact CE2-CD2 4.01Å; F108-L155 HydrophobicContact CE2-CG 4.02Å; F108-L155 HydrophobicContact CZ-CD2 3.94Å; F108-L155 HydrophobicContact CZ-CG 4.45Å; F108-L158 HydrophobicContact CB-CD1 4.27Å; F108-L158 HydrophobicContact CB-CD2 3.31Å; F108-L158 HydrophobicContact CB-CG 4.42Å; F108-L158 HydrophobicContact CD1-CD1 3.77Å; F108-L158 HydrophobicContact CD1-CD2 4.4Å; F108-L158 HydrophobicContact CD2-CD1 3.75Å; F108-L158 HydrophobicContact CD2-CD2 3.73Å; F108-L158 HydrophobicContact CD2-CG 4.32Å; F108-L158 HydrophobicContact CE1-CD1 4.04Å; F108-L158 HydrophobicContact CE2-CD1 4.02Å; F108-L158 HydrophobicContact CG-CD1 3.64Å; F108-L158 HydrophobicContact CG-CD2 3.56Å; F108-L158 HydrophobicContact CG-CG 4.25Å; F108-L158 HydrophobicContact CZ-CD1 4.18Å; F108-Q162 PolarHBondContact O-NE2 3.16Å; F108-S166 WeakPolarHBondContact CD1-OG 3.24Å; F108-F168 AromaticContact CE1-CE1 3.71Å; F108-F168 HydrophobicContact CE1-CE1 3.71Å; F108-F168 AromaticContact CE1-CZ 3.79Å; F108-F168 HydrophobicContact CE1-CZ 3.79Å; F108-F168 AromaticContact CZ-CE1 3.67Å; F108-F168 HydrophobicContact CZ-CE1 3.67Å; F108-F168 HydrophobicContact CZ-CZ 4.12Å
109K97Very high96.7Very high80 Ų8037 Ų3735%0.34819%0.186SC..Iπ-helixtrans-130.8-79.1172.7179.8-178.2171.7-172.60109.7K104 E105 F111 L112 E113K104-K109 WeakPolarHBondContact O-CB 3.49Å; E105-K109 WeakPolarHBondContact O-CB 3.23Å; E105-K109 WeakPolarHBondContact OE2-CD 3.24Å; E105-K109 IonicContact OE2-NZ 3.33Å; E105-K109 PolarHBondContact OE2-NZ 2.89Å; K109-F111 VanDerWaalsContact C-N 3.34Å; K109-F111 PolarHBondContact O-N 2.93Å; K109-L112 PolarHBondContact O-N 3.19Å; K109-E113 WeakPolarHBondContact CG-OE1 3.47Å; K109-E113 WeakPolarHBondContact O-CB 3.26Å; K109-E113 WeakPolarHBondContact O-CG 3.28Å; K109-E113 PolarHBondContact O-N 3.05Å
110A97.3Very high96.8Very high12 Ų1237.6 Ų37.610%0.09920%0.202CC..Iπ-helixtrans-55.7-45-179.700000113.3F74 E105 I106 F114F74-A110 HydrophobicContact CD1-CB 4.02Å; F74-A110 HydrophobicContact CE1-CB 3.88Å; F74-A110 HydrophobicContact CE2-CB 4.39Å; F74-A110 HydrophobicContact CG-CB 4.34Å; F74-A110 HydrophobicContact CZ-CB 4.08Å; E105-A110 PolarHBondContact O-N 3.39Å; I106-A110 PolarHBondContact O-N 2.78Å; A110-F114 VanDerWaalsContact O-CB 3.26Å; A110-F114 WeakPolarHBondContact O-CB 3.24Å; A110-F114 PolarHBondContact O-N 2.85Å
111F98.2Very high96.9Very high0 Ų038.1 Ų38.10%021%0.207CC..Hα-helixtrans-65.2-43.9174.8172.3-147000112.5I9 L35 M37 F74 I106 K107 K109 F114 A115 I124 T126I9-F111 HydrophobicContact CB-CE2 4.17Å; I9-F111 HydrophobicContact CB-CZ 4.3Å; I9-F111 HydrophobicContact CG2-CE2 3.62Å; I9-F111 HydrophobicContact CG2-CZ 3.93Å; I9-F111 WeakPolarHBondContact O-CZ 3.46Å; L35-F111 HydrophobicContact CB-CE2 4.09Å; L35-F111 HydrophobicContact CD2-CD2 3.29Å; L35-F111 HydrophobicContact CD2-CE2 3.43Å; L35-F111 VanDerWaalsContact CD2-CE2 3.43Å; L35-F111 HydrophobicContact CD2-CG 4.38Å; L35-F111 HydrophobicContact CG-CE2 4.39Å; M37-F111 HydrophobicContact CE-CD1 4.2Å; M37-F111 HydrophobicContact CE-CG 4.38Å; M37-F111 HydrophobicContact SD-CB 3.71Å; M37-F111 HydrophobicContact SD-CD1 4.28Å; M37-F111 HydrophobicContact SD-CD2 4.42Å; M37-F111 HydrophobicContact SD-CG 3.89Å; F74-F111 HydrophobicContact CE2-CB 4.41Å; I106-F111 WeakPolarHBondContact O-CB 3.29Å; I106-F111 PolarHBondContact O-N 2.53Å; K107-F111 WeakPolarHBondContact O-CB 3.36Å; K107-F111 WeakPolarHBondContact O-CD1 3.5Å; K109-F111 VanDerWaalsContact C-N 3.34Å; K109-F111 PolarHBondContact O-N 2.93Å; F111-F114 PolarHBondContact O-N 3.26Å; F111-A115 HydrophobicContact CD2-CB 4.24Å; F111-A115 HydrophobicContact CE2-CB 3.98Å; F111-A115 WeakPolarHBondContact O-CB 3.35Å; F111-A115 PolarHBondContact O-N 3.35Å; F111-I124 HydrophobicContact CD1-CB 4.34Å; F111-I124 HydrophobicContact CD1-CD1 3.87Å; F111-I124 HydrophobicContact CD1-CG2 4.34Å; F111-I124 HydrophobicContact CD2-CG2 4.32Å; F111-I124 HydrophobicContact CE1-CB 3.69Å; F111-I124 HydrophobicContact CE1-CD1 3.98Å; F111-I124 HydrophobicContact CE1-CG1 4.37Å; F111-I124 HydrophobicContact CE1-CG2 3.93Å; F111-I124 HydrophobicContact CE2-CB 4.47Å; F111-I124 HydrophobicContact CE2-CG2 3.89Å; F111-I124 HydrophobicContact CZ-CB 3.76Å; F111-I124 HydrophobicContact CZ-CG2 3.69Å; F111-T126 HydrophobicContact CE1-CG2 4.44Å
112L97.6Very high97.1Very high15 Ų1540.5 Ų40.58%0.07922%0.22CC..Hα-helixtrans-62.4-46.1-179.4178.361.1000111.1K109 A115 A116 I124 Q162 Q165K109-L112 PolarHBondContact O-N 3.19Å; L112-A115 PolarHBondContact O-N 3.07Å; L112-A116 WeakPolarHBondContact O-CB 3.47Å; L112-A116 PolarHBondContact O-N 3.01Å; L112-I124 HydrophobicContact CB-CD1 3.96Å; L112-I124 HydrophobicContact CD1-CD1 3.95Å; L112-I124 HydrophobicContact CD1-CG1 3.91Å; L112-I124 HydrophobicContact CD1-CG2 4.03Å; L112-I124 HydrophobicContact CG-CD1 4.49Å; L112-Q162 HydrophobicContact CD2-CB 4.31Å; L112-Q162 HydrophobicContact CD2-CG 4.04Å; L112-Q165 HydrophobicContact CD1-CB 3.76Å
113E97.7Very high97.3Very high99 Ų9942.5 Ų42.546%0.46323%0.227SC..Hα-helixtrans-60.7-53.7176.7-71.2167.1-173.500110.4K109 A115 A116 E117K109-E113 WeakPolarHBondContact CG-OE1 3.47Å; K109-E113 WeakPolarHBondContact O-CB 3.26Å; K109-E113 WeakPolarHBondContact O-CG 3.28Å; K109-E113 PolarHBondContact O-N 3.05Å; E113-A115 VanDerWaalsContact C-N 3.34Å; E113-A115 PolarHBondContact O-N 2.91Å; E113-A116 PolarHBondContact O-N 2.96Å; E113-E117 WeakPolarHBondContact O-CB 3.18Å; E113-E117 WeakPolarHBondContact O-CG 3.41Å; E113-E117 PolarHBondContact O-N 2.71Å
114F98Very high97.4Very high45 Ų4542.3 Ų42.320%0.19723%0.226CC..Hα-helixtrans-58.9-42.4178.3-178.3-98.9000113L35 V72 F74 A110 F111 A116 D118 L119L35-F114 HydrophobicContact CD1-CD1 4.33Å; L35-F114 HydrophobicContact CD1-CE1 3.8Å; L35-F114 HydrophobicContact CD2-CD1 3.81Å; L35-F114 HydrophobicContact CD2-CE1 4.14Å; V72-F114 HydrophobicContact CB-CE1 4.24Å; V72-F114 HydrophobicContact CB-CZ 4.27Å; V72-F114 HydrophobicContact CG2-CD2 4.36Å; V72-F114 HydrophobicContact CG2-CE1 4.49Å; V72-F114 HydrophobicContact CG2-CE2 4.16Å; V72-F114 HydrophobicContact CG2-CZ 4.22Å; F74-F114 HydrophobicContact CZ-CB 3.96Å; F74-F114 HydrophobicContact CZ-CG 4.28Å; A110-F114 VanDerWaalsContact O-CB 3.26Å; A110-F114 WeakPolarHBondContact O-CB 3.24Å; A110-F114 PolarHBondContact O-N 2.85Å; F111-F114 PolarHBondContact O-N 3.26Å; F114-A116 PolarHBondContact O-N 2.82Å; F114-D118 HydrophobicContact CD2-CB 3.83Å; F114-D118 VanDerWaalsContact CD2-OD2 3.26Å; F114-D118 WeakPolarHBondContact CD2-OD2 3.49Å; F114-D118 HydrophobicContact CE2-CB 3.73Å; F114-D118 HydrophobicContact CG-CB 4.38Å; F114-D118 HydrophobicContact CZ-CB 4.2Å; F114-D118 WeakPolarHBondContact O-CA 3.49Å; F114-D118 WeakPolarHBondContact O-CB 3.43Å; F114-D118 PolarHBondContact O-N 3.3Å; F114-L119 HydrophobicContact CD1-CD1 4.13Å; F114-L119 HydrophobicContact CD1-CG 4.29Å; F114-L119 HydrophobicContact CE1-CD1 3.77Å; F114-L119 HydrophobicContact CE1-CD2 4.26Å; F114-L119 HydrophobicContact CE1-CG 3.89Å; F114-L119 PolarHBondContact O-N 3.1Å
115A98Very high97.5Very high0 Ų039.8 Ų39.80%022%0.216CC..Hα-helixtrans-65.1-41.1178.600000111.9I9 F111 L112 E113 L119 G120 A121 I124I9-A115 HydrophobicContact CB-CB 4.09Å; I9-A115 HydrophobicContact CG1-CB 4.04Å; F111-A115 HydrophobicContact CD2-CB 4.24Å; F111-A115 HydrophobicContact CE2-CB 3.98Å; F111-A115 WeakPolarHBondContact O-CB 3.35Å; F111-A115 PolarHBondContact O-N 3.35Å; L112-A115 PolarHBondContact O-N 3.07Å; E113-A115 VanDerWaalsContact C-N 3.34Å; E113-A115 PolarHBondContact O-N 2.91Å; A115-L119 CarbonylContact O-C 3.55Å; A115-L119 WeakPolarHBondContact O-CB 3.28Å; A115-L119 PolarHBondContact O-N 3.12Å; A115-G120 PolarHBondContact O-N 2.9Å; A115-G120 VanDerWaalsContact O-N 3.17Å; A115-A121 HydrophobicContact CB-CB 4.07Å; A115-A121 WeakPolarHBondContact O-CB 3.49Å; A115-A121 PolarHBondContact O-N 2.91Å; A115-I124 HydrophobicContact CB-CG2 3.4Å; A115-I124 VanDerWaalsContact CB-CG2 3.4Å
116A96.7Very high97.5Very high42 Ų4238.9 Ų38.935%0.34721%0.212SC..Hα-helixtrans-72-48.7179.600000112L112 E113 F114 G120L112-A116 WeakPolarHBondContact O-CB 3.47Å; L112-A116 PolarHBondContact O-N 3.01Å; E113-A116 PolarHBondContact O-N 2.96Å; F114-A116 PolarHBondContact O-N 2.82Å; A116-G120 WeakPolarHBondContact O-CA 3.4Å; A116-G120 PolarHBondContact O-N 2.92Å
117E96.7Very high97.5Very high159 Ų15939.5 Ų39.574%0.74322%0.218SC*.Hα-helixtrans-83.5-45-170.4-63.1-173.1-177.400112.9E113E113-E117 WeakPolarHBondContact O-CB 3.18Å; E113-E117 WeakPolarHBondContact O-CG 3.41Å; E113-E117 PolarHBondContact O-N 2.71Å
118D97.5Very high97.6Very high107 Ų10738.7 Ų38.757%0.57222%0.215SC*.THydrogen-bonded Turntrans-93.7-33.7-174.1-59.8-93000113F114F114-D118 HydrophobicContact CD2-CB 3.83Å; F114-D118 VanDerWaalsContact CD2-OD2 3.26Å; F114-D118 WeakPolarHBondContact CD2-OD2 3.49Å; F114-D118 HydrophobicContact CE2-CB 3.73Å; F114-D118 HydrophobicContact CG-CB 4.38Å; F114-D118 HydrophobicContact CZ-CB 4.2Å; F114-D118 WeakPolarHBondContact O-CA 3.49Å; F114-D118 WeakPolarHBondContact O-CB 3.43Å; F114-D118 PolarHBondContact O-N 3.3Å
119L97.3Very high97.6Very high28 Ų2838.9 Ų38.915%0.14722%0.215CC..SBendtrans-102.8-7.7-176.9-56.8-177.9000114K7 I9 H70 F114 A115K7-L119 VanDerWaalsContact CE-O 3.23Å; K7-L119 WeakPolarHBondContact CE-O 3.24Å; K7-L119 PolarHBondContact NZ-O 3.24Å; I9-L119 HydrophobicContact CD1-CB 4.11Å; I9-L119 HydrophobicContact CD1-CD1 3.85Å; I9-L119 HydrophobicContact CG1-CB 4.16Å; I9-L119 HydrophobicContact CG1-CD1 3.88Å; I9-L119 HydrophobicContact CG2-CD1 4.09Å; H70-L119 HydrophobicContact CB-CD1 4.45Å; F114-L119 HydrophobicContact CD1-CD1 4.13Å; F114-L119 HydrophobicContact CD1-CG 4.29Å; F114-L119 HydrophobicContact CE1-CD1 3.77Å; F114-L119 HydrophobicContact CE1-CD2 4.26Å; F114-L119 HydrophobicContact CE1-CG 3.89Å; F114-L119 PolarHBondContact O-N 3.1Å; A115-L119 CarbonylContact O-C 3.55Å; A115-L119 WeakPolarHBondContact O-CB 3.28Å; A115-L119 PolarHBondContact O-N 3.12Å
120G96.8Very high97.7Very high52 Ų5235 Ų3554%0.53620%0.199SC..  trans63.837.7178.700000113.4A115 A116A115-G120 PolarHBondContact O-N 2.9Å; A115-G120 VanDerWaalsContact O-N 3.17Å; A116-G120 WeakPolarHBondContact O-CA 3.4Å; A116-G120 PolarHBondContact O-N 2.92Å
121A97.8Very high97.8Very high16 Ų1635.9 Ų35.913%0.13220%0.2CC..  trans-80.2142.6-178.300000112.7I9 A115I9-A121 HydrophobicContact CB-CB 4.5Å; I9-A121 HydrophobicContact CG1-CB 3.6Å; A115-A121 HydrophobicContact CB-CB 4.07Å; A115-A121 WeakPolarHBondContact O-CB 3.49Å; A115-A121 PolarHBondContact O-N 2.91Å
122D97.9Very high97.7Very high84 Ų8438.9 Ų38.945%0.44921%0.211SC..SBendtrans-79.3-31.9168.6-63.4-78000111.6K6 K7K6-D122 VanDerWaalsContact CA-OD2 3.26Å; K6-D122 WeakPolarHBondContact CA-OD2 3.4Å; K6-D122 HydrophobicContact CB-CB 4.13Å; K7-D122 PolarHBondContact N-OD2 3.02Å; K7-D122 WeakPolarHBondContact O-CB 3.34Å; K7-D122 PolarHBondContact O-N 3.19Å
123Y98.3Very high97.7Very high41 Ų4139.5 Ų39.516%0.16122%0.218CC..EExtended strand (participates in β ladder)trans-143.7156178.9-55.1-73.1000112K6 K7 V8 I9 Y30 A164 Q165 L167K6-Y123 HydrophobicContact CB-CE2 4.38Å; K6-Y123 HydrophobicContact CD-CD2 4.49Å; K6-Y123 HydrophobicContact CD-CE2 3.54Å; K6-Y123 PolarHBondContact NZ-OH 3.33Å; K7-Y123 PolarHBondContact O-N 3.49Å; V8-Y123 WeakPolarHBondContact CA-O 3.21Å; V8-Y123 HydrophobicContact CG2-CD2 4.2Å; I9-Y123 PolarHBondContact N-O 3.5Å; Y30-Y123 HydrophobicContact CE1-CD2 4.21Å; Y30-Y123 HydrophobicContact CE1-CE2 4.26Å; Y123-A164 WeakPolarHBondContact CE1-O 3.22Å; Y123-Q165 WeakPolarHBondContact CA-O 3.47Å; Y123-L167 HydrophobicContact CD2-CD1 4.07Å; Y123-L167 HydrophobicContact CG-CD1 4.05Å; Y123-L167 HydrophobicContact CG-CG 4.21Å
124I98.6Very high97.7Very high0 Ų039.3 Ų39.30%022%0.22CC..EExtended strand (participates in β ladder)trans-98.1158.7156.764.1171000110.8I9 K107 F108 F111 L112 A115 Q165 S166 L167I9-I124 CarbonylContact O-C 3.19Å; I9-I124 VanDerWaalsContact O-CA 3.28Å; I9-I124 WeakPolarHBondContact O-CA 3.32Å; K107-I124 WeakPolarHBondContact O-CD1 3.35Å; F108-I124 HydrophobicContact CD1-CD1 3.86Å; F108-I124 HydrophobicContact CE1-CD1 4.2Å; F111-I124 HydrophobicContact CD1-CB 4.34Å; F111-I124 HydrophobicContact CD1-CD1 3.87Å; F111-I124 HydrophobicContact CD1-CG2 4.34Å; F111-I124 HydrophobicContact CD2-CG2 4.32Å; F111-I124 HydrophobicContact CE1-CB 3.69Å; F111-I124 HydrophobicContact CE1-CD1 3.98Å; F111-I124 HydrophobicContact CE1-CG1 4.37Å; F111-I124 HydrophobicContact CE1-CG2 3.93Å; F111-I124 HydrophobicContact CE2-CB 4.47Å; F111-I124 HydrophobicContact CE2-CG2 3.89Å; F111-I124 HydrophobicContact CZ-CB 3.76Å; F111-I124 HydrophobicContact CZ-CG2 3.69Å; L112-I124 HydrophobicContact CB-CD1 3.96Å; L112-I124 HydrophobicContact CD1-CD1 3.95Å; L112-I124 HydrophobicContact CD1-CG1 3.91Å; L112-I124 HydrophobicContact CD1-CG2 4.03Å; L112-I124 HydrophobicContact CG-CD1 4.49Å; A115-I124 HydrophobicContact CB-CG2 3.4Å; A115-I124 VanDerWaalsContact CB-CG2 3.4Å; I124-Q165 PolarHBondContact N-O 3.05Å; I124-S166 WeakPolarHBondContact CG1-OG 3.37Å; I124-S166 CarbonylContact O-C 3.59Å; I124-S166 WeakPolarHBondContact O-CA 3.5Å; I124-L167 PolarHBondContact O-N 3.24Å
125A98.6Very high97.5Very high1 Ų139.4 Ų39.41%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-137153171.200000111.8V8 I9 V10 G11 L25 L167V8-A125 HydrophobicContact CG1-CB 3.67Å; I9-A125 PolarHBondContact O-N 3.17Å; V10-A125 CarbonylContact C-O 3.51Å; V10-A125 WeakPolarHBondContact CA-O 3.49Å; V10-A125 HydrophobicContact CB-CB 4.49Å; V10-A125 HydrophobicContact CG1-CB 4.45Å; V10-A125 HydrophobicContact CG2-CB 4.03Å; G11-A125 PolarHBondContact N-O 3.48Å; L25-A125 HydrophobicContact CD1-CB 3.38Å; A125-L167 WeakPolarHBondContact CA-O 3.35Å; A125-L167 HydrophobicContact CB-CB 4.05Å
126T98Very high97.2Very high6 Ų646.6 Ų46.64%0.03726%0.263CS..  trans-137.9171.6176.964.10000111.3S21 F108 F111 H128 L167 F168S21-T126 PolarHBondContact OG-O 3.1Å; F108-T126 HydrophobicContact CE1-CG2 4.29Å; F108-T126 HydrophobicContact CZ-CG2 3.96Å; F111-T126 HydrophobicContact CE1-CG2 4.44Å; T126-H128 VanDerWaalsContact C-N 3.28Å; T126-H128 VanDerWaalsContact CB-ND1 3.34Å; T126-H128 WeakPolarHBondContact CB-ND1 3.39Å; T126-H128 PolarHBondContact OG1-ND1 3.21Å; T126-L167 PolarHBondContact N-O 3.38Å; T126-F168 WeakPolarHBondContact OG1-CD1 3.36Å
127G96.9Very high97Very high13 Ų1348.6 Ų48.613%0.13429%0.287CS..  trans-8822.8171.500000114.2D17 V170D17-G127 WeakPolarHBondContact CB-O 3.38Å; G127-V170 WeakPolarHBondContact O-CG2 3.38Å
128H97.6Very high97Very high13 Ų1343.8 Ų43.86%0.0626%0.264CS..  trans-77138.8-179.8-66.3100.9000112N103 K107 F108 T126 V130 Q151 L155 F168N103-H128 PolarHBondContact OD1-CE1 3.09Å; N103-H128 PolarHBondContact OD1-NE2 2.94Å; N103-H128 VanDerWaalsContact OD1-NE2 3.17Å; K107-H128 PolarHBondContact NZ-NE2 3.06Å; K107-H128 VanDerWaalsContact NZ-NE2 3.2Å; F108-H128 AromaticContact CZ-ND1 3.9Å; T126-H128 VanDerWaalsContact C-N 3.28Å; T126-H128 VanDerWaalsContact CB-ND1 3.34Å; T126-H128 WeakPolarHBondContact CB-ND1 3.39Å; T126-H128 PolarHBondContact OG1-ND1 3.21Å; H128-V130 VanDerWaalsContact C-N 3.27Å; H128-V130 HydrophobicContact CB-CG2 4.32Å; H128-V130 PolarHBondContact O-N 3.24Å; H128-Q151 HydrophobicContact CB-CB 4.44Å; H128-L155 HydrophobicContact CB-CD2 4.08Å; H128-F168 HydrophobicContact CB-CD1 4.2Å
129Y97.8Very high97Very high3 Ų339.2 Ų39.21%0.01224%0.24CC..SBendtrans-82.471.8175.8-72.2-99.4000110.6D17 G144 D146 K149 D150 Q151 V170 K175 V178D17-Y129 HydrophobicContact CB-CE2 4.27Å; D17-Y129 WeakPolarHBondContact OD1-CE2 3.28Å; D17-Y129 PolarHBondContact OD1-OH 2.87Å; Y129-G144 WeakPolarHBondContact O-CA 3.49Å; Y129-G144 PolarHBondContact O-N 2.77Å; Y129-D146 HydrophobicContact CD1-CB 4.32Å; Y129-K149 VanDerWaalsContact CB-O 3.31Å; Y129-K149 WeakPolarHBondContact CB-O 3.26Å; Y129-K149 HydrophobicContact CD1-CB 3.71Å; Y129-K149 HydrophobicContact CD1-CG 4.43Å; Y129-K149 HydrophobicContact CD2-CB 3.89Å; Y129-K149 HydrophobicContact CE1-CB 4.17Å; Y129-K149 HydrophobicContact CE1-CG 4.42Å; Y129-K149 HydrophobicContact CE2-CB 4.35Å; Y129-K149 HydrophobicContact CG-CB 3.56Å; Y129-D150 WeakPolarHBondContact O-CA 3.14Å; Y129-Q151 PolarHBondContact O-N 2.77Å; Y129-V170 HydrophobicContact CE2-CG2 4.4Å; Y129-K175 HydrophobicContact CE1-CB 4.49Å; Y129-K175 HydrophobicContact CE2-CD 4.41Å; Y129-K175 WeakPolarHBondContact OH-CD 3.31Å; Y129-V178 HydrophobicContact CE1-CG2 4.28Å; Y129-V178 WeakPolarHBondContact OH-CG2 3.28Å
130V98.5Very high97Very high0 Ų042.5 Ų42.50%025%0.251CS..EExtended strand (participates in β ladder)trans-138.4160.7172.2-610000108.6H128 L141 Q151 L155 F168 G171H128-V130 VanDerWaalsContact C-N 3.27Å; H128-V130 HydrophobicContact CB-CG2 4.32Å; H128-V130 PolarHBondContact O-N 3.24Å; V130-L141 HydrophobicContact CB-CD1 3.73Å; V130-L141 HydrophobicContact CG1-CD1 4.11Å; V130-L141 HydrophobicContact CG2-CD1 3.83Å; V130-Q151 VanDerWaalsContact CG1-C 3.44Å; V130-Q151 HydrophobicContact CG1-CB 4.12Å; V130-L155 HydrophobicContact CG1-CD2 4.11Å; V130-L155 HydrophobicContact CG2-CD2 3.75Å; V130-F168 HydrophobicContact CG2-CB 3.9Å; V130-F168 HydrophobicContact CG2-CD1 3.41Å; V130-F168 VanDerWaalsContact CG2-CD1 3.41Å; V130-F168 HydrophobicContact CG2-CD2 3.68Å; V130-F168 HydrophobicContact CG2-CE1 3.73Å; V130-F168 HydrophobicContact CG2-CE2 4Å; V130-F168 HydrophobicContact CG2-CG 3.37Å; V130-F168 HydrophobicContact CG2-CZ 4.02Å; V130-F168 WeakPolarHBondContact O-CB 3.21Å; V130-G171 WeakPolarHBondContact O-CA 3.33Å
131R98.6Very high97.1Very high30 Ų3040 Ų4011%0.11323%0.225CC..EExtended strand (participates in β ladder)trans-117.1158.6176.5-65-179.2-64.8140.54.5110.4L142 R143 G171 E172 E352R131-L142 HydrophobicContact CB-CB 3.86Å; R131-L142 PolarHBondContact N-O 2.84Å; R131-L142 PolarHBondContact O-N 2.91Å; R131-R143 PolarHBondContact NE-O 3.49Å; R131-R143 PolarHBondContact NH2-O 3.03Å; R131-G171 WeakPolarHBondContact CG-O 3.39Å; R131-E172 WeakPolarHBondContact CD-OE1 3.49Å; R131-E172 WeakPolarHBondContact CD-OE2 3.45Å; R131-E172 HydrophobicContact CG-CG 4.4Å; R131-E172 VanDerWaalsContact CG-OE1 3.32Å; R131-E172 WeakPolarHBondContact CG-OE1 3.34Å; R131-E352 IonicContact CZ-OE2 3.56Å; R131-E352 IonicContact NH1-OE2 3.91Å; R131-E352 IonicContact NH2-OE1 3.92Å; R131-E352 PolarHBondContact NH2-OE1 3.41Å; R131-E352 IonicContact NH2-OE2 3.45Å; R131-E352 PolarHBondContact NH2-OE2 2.95Å
132R97.5Very high97.2Very high63 Ų6340.2 Ų40.224%0.23822%0.224CC..EExtended strand (participates in β ladder)trans-116.6135.6174.8-175.9-179.696.5-171.512108.9D134 R140 I163 A164 S166 F168R132-D134 IonicContact CZ-OD1 3.45Å; R132-D134 IonicContact CZ-OD2 3.87Å; R132-D134 IonicContact NE-OD1 2.65Å; R132-D134 PolarHBondContact NE-OD1 3.17Å; R132-D134 IonicContact NE-OD2 2.7Å; R132-D134 PolarHBondContact NE-OD2 3.32Å; R132-D134 IonicContact NH2-OD1 3.36Å; R132-D134 IonicContact NH2-OD2 3.26Å; R132-D134 PolarHBondContact NH2-OD2 2.99Å; R132-R140 WeakPolarHBondContact CA-O 3.23Å; R132-I163 HydrophobicContact CB-CG2 4.38Å; R132-I163 WeakPolarHBondContact CD-O 3.45Å; R132-I163 HydrophobicContact CG-CG2 3.69Å; R132-A164 PolarHBondContact NH1-O 2.87Å; R132-S166 PolarHBondContact NH1-O 2.96Å; R132-F168 HydrophobicContact CB-CD2 4.41Å
133A97.5Very high97.2Very high28 Ų2837.8 Ų37.823%0.23121%0.208CC..EExtended strand (participates in β ladder)trans-130.4126.7167.500000110.3V135 R140 L142A133-V135 HydrophobicContact CB-CG2 4.24Å; A133-R140 PolarHBondContact N-O 3.27Å; A133-R140 PolarHBondContact O-N 3.2Å; A133-L142 HydrophobicContact CB-CD1 3.59Å; A133-L142 HydrophobicContact CB-CG 4.15Å
134D96.8Very high97.2Very high95 Ų9536.1 Ų36.151%0.50820%0.204SC..EExtended strand (participates in β ladder)trans-88.6110.3177.6-61.1-31.9000107.8R132 S139R132-D134 IonicContact CZ-OD1 3.45Å; R132-D134 IonicContact CZ-OD2 3.87Å; R132-D134 IonicContact NE-OD1 2.65Å; R132-D134 PolarHBondContact NE-OD1 3.17Å; R132-D134 IonicContact NE-OD2 2.7Å; R132-D134 PolarHBondContact NE-OD2 3.32Å; R132-D134 IonicContact NH2-OD1 3.36Å; R132-D134 IonicContact NH2-OD2 3.26Å; R132-D134 PolarHBondContact NH2-OD2 2.99Å; D134-S139 VanDerWaalsContact OD1-CB 3.24Å; D134-S139 WeakPolarHBondContact OD1-CB 3.45Å; D134-S139 PolarHBondContact OD1-OG 3.45Å
135V94.1Very high97.1Very high46 Ų4640.1 Ų40.128%0.27923%0.225SC..EExtended strand (participates in β ladder)trans-132.9127.7-175.1-174.30000109.1A133 G137 K138A133-V135 HydrophobicContact CB-CG2 4.24Å; V135-G137 PolarHBondContact O-N 3.41Å; V135-G137 VanDerWaalsContact O-N 3.16Å; V135-K138 PolarHBondContact N-O 3.42Å; V135-K138 PolarHBondContact O-N 2.73Å
136D92.3Very high97Very high151 Ų15140.8 Ų40.881%0.80723%0.228SC*.THydrogen-bonded Turntrans53.134.5179.1-52.6-40.7000114K138 R140D136-K138 VanDerWaalsContact C-N 3.29Å; D136-K138 PolarHBondContact O-N 3.37Å; D136-R140 IonicContact OD2-NH2 3.62Å
137G92.4Very high96.8Very high84 Ų8445 Ų4587%0.86626%0.258SS*.THydrogen-bonded Turntrans79.50.4-179.800000115.3V135V135-G137 PolarHBondContact O-N 3.41Å; V135-G137 VanDerWaalsContact O-N 3.16Å
138K95.6Very high96.6Very high59 Ų5949.6 Ų49.626%0.25728%0.279SS..EExtended strand (participates in β ladder)trans-114.3138.1172.2-66.8-171.1177.3-172.50111.1V135 D136 H160 D296 E298V135-K138 PolarHBondContact N-O 3.42Å; V135-K138 PolarHBondContact O-N 2.73Å; D136-K138 VanDerWaalsContact C-N 3.29Å; D136-K138 PolarHBondContact O-N 3.37Å; K138-H160 HydrophobicContact CB-CB 4.22Å; K138-D296 HydrophobicContact CD-CB 4.36Å; K138-D296 PolarHBondContact NZ-O 3.44Å; K138-E298 IonicContact NZ-OE1 3.63Å; K138-E298 PolarHBondContact NZ-OE1 2.97Å
139S98Very high96.4Very high10 Ų1050.7 Ų50.77%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-82.8121.6173.2-56.90000110.5D134 H160 A164D134-S139 VanDerWaalsContact OD1-CB 3.24Å; D134-S139 WeakPolarHBondContact OD1-CB 3.45Å; D134-S139 PolarHBondContact OD1-OG 3.45Å; S139-H160 WeakPolarHBondContact O-CA 3.37Å; S139-H160 VanDerWaalsContact O-CB 3.26Å; S139-H160 WeakPolarHBondContact O-CB 3.23Å; S139-A164 VanDerWaalsContact OG-CA 3.26Å; S139-A164 WeakPolarHBondContact OG-CA 3.42Å; S139-A164 VanDerWaalsContact OG-CB 3.23Å; S139-A164 WeakPolarHBondContact OG-CB 3.19Å
140R98.1Very high96.4Very high97 Ų9750.9 Ų50.937%0.36629%0.285SS..EExtended strand (participates in β ladder)trans-92.7143.9177.4-61.9-177.4-1781735.4110.7R132 A133 D136 L142 V353R132-R140 WeakPolarHBondContact CA-O 3.23Å; A133-R140 PolarHBondContact N-O 3.27Å; A133-R140 PolarHBondContact O-N 3.2Å; D136-R140 IonicContact OD2-NH2 3.62Å; R140-L142 HydrophobicContact CB-CD2 4.43Å; R140-V353 HydrophobicContact CB-CG1 4.47Å
141L98.6Very high96.3Very high0 Ų053.1 Ų53.10%030%0.296CS..EExtended strand (participates in β ladder)trans-83.7120.9167-178.262.9000109.2V130 L155 I163 V295 C354V130-L141 HydrophobicContact CB-CD1 3.73Å; V130-L141 HydrophobicContact CG1-CD1 4.11Å; V130-L141 HydrophobicContact CG2-CD1 3.83Å; L141-L155 HydrophobicContact CD2-CB 3.94Å; L141-L155 WeakPolarHBondContact CD2-O 3.31Å; L141-I163 HydrophobicContact CB-CD1 3.74Å; L141-V295 HydrophobicContact CB-CG1 4.34Å; L141-V295 HydrophobicContact CB-CG2 4.35Å; L141-C354 HydrophobicContact CB-CB 4.08Å; L141-C354 HydrophobicContact CD2-CB 3.86Å; L141-C354 HydrophobicContact CG-CB 3.9Å; L141-C354 WeakPolarHBondContact O-CB 3.36Å; L141-C354 PolarHBondContact O-N 3.33Å
142L98.6Very high96.3Very high20 Ų2051.7 Ų51.711%0.10529%0.291CS..EExtended strand (participates in β ladder)trans-112154.9175.7-59.1-173.5000110.4R131 A133 R140 E352 V353R131-L142 HydrophobicContact CB-CB 3.86Å; R131-L142 PolarHBondContact N-O 2.84Å; R131-L142 PolarHBondContact O-N 2.91Å; A133-L142 HydrophobicContact CB-CD1 3.59Å; A133-L142 HydrophobicContact CB-CG 4.15Å; R140-L142 HydrophobicContact CB-CD2 4.43Å; L142-E352 CarbonylContact C-O 3.57Å; L142-E352 VanDerWaalsContact CA-O 3.29Å; L142-E352 WeakPolarHBondContact CA-O 3.45Å; L142-V353 HydrophobicContact CD2-CB 4.11Å; L142-V353 HydrophobicContact CD2-CG1 4.43Å; L142-V353 HydrophobicContact CD2-CG2 3.63Å
143R98.4Very high96.3Very high33 Ų3348.7 Ų48.713%0.12528%0.279CS..EExtended strand (participates in β ladder)trans-58.7147.3171.3-65.4175.1-171.1-114.35.5111.7R131 D150 D316 Y349 G351 E352R131-R143 PolarHBondContact NE-O 3.49Å; R131-R143 PolarHBondContact NH2-O 3.03Å; R143-D150 VanDerWaalsContact CA-OD1 3.24Å; R143-D150 WeakPolarHBondContact CA-OD1 3.3Å; R143-D316 IonicContact CZ-OD1 3.47Å; R143-D316 IonicContact CZ-OD2 2.93Å; R143-D316 IonicContact NH1-OD1 3.71Å; R143-D316 PolarHBondContact NH1-OD1 3.49Å; R143-D316 IonicContact NH1-OD2 3.85Å; R143-D316 IonicContact NH2-OD1 2.71Å; R143-D316 PolarHBondContact NH2-OD1 2.86Å; R143-D316 IonicContact NH2-OD2 2.8Å; R143-D316 PolarHBondContact NH2-OD2 3.32Å; R143-Y349 HydrophobicContact CG-CD1 4.24Å; R143-Y349 HydrophobicContact CG-CE1 4.12Å; R143-G351 PolarHBondContact NE-O 3.32Å; R143-G351 VanDerWaalsContact NE-O 3.07Å; R143-E352 PolarHBondContact N-O 3.44Å
144G97.9Very high96.3Very high7 Ų748.3 Ų48.37%0.07227%0.272CS..  trans-64151.1165.300000111.4Y129 D146 D150Y129-G144 WeakPolarHBondContact O-CA 3.49Å; Y129-G144 PolarHBondContact O-N 2.77Å; G144-D146 VanDerWaalsContact C-N 3.31Å; G144-D146 PolarHBondContact O-N 3.17Å; G144-D150 PolarHBondContact N-OD1 2.92Å
145L97.5Very high96.4Very high84 Ų8443.8 Ų43.844%0.4425%0.248SC..SBendtrans-66.4-33.9178-66.3-173.7000112.6S147 G171 E172L145-S147 PolarHBondContact O-N 2.84Å; L145-G171 PolarHBondContact N-O 3.2Å; L145-E172 WeakPolarHBondContact CD1-O 3.36Å
146D96.7Very high96.6Very high14 Ų1441.7 Ų41.78%0.07524%0.235CC..  trans-78100172.9-170.1-27.4000110.5Y129 G144 N148 K149 D150 K175Y129-D146 HydrophobicContact CD1-CB 4.32Å; G144-D146 VanDerWaalsContact C-N 3.31Å; G144-D146 PolarHBondContact O-N 3.17Å; D146-N148 PolarHBondContact O-N 3.37Å; D146-N148 WeakPolarHBondContact OD1-CB 3.39Å; D146-N148 PolarHBondContact OD1-N 2.71Å; D146-K149 HydrophobicContact CB-CB 4.02Å; D146-K149 HydrophobicContact CB-CG 4.35Å; D146-K149 CarbonylContact O-C 3.49Å; D146-K149 PolarHBondContact O-N 3.03Å; D146-K149 PolarHBondContact OD1-N 3.08Å; D146-K149 WeakPolarHBondContact OD2-CG 3.46Å; D146-D150 PolarHBondContact O-N 3.25Å; D146-K175 WeakPolarHBondContact OD2-CB 3.47Å; D146-K175 PolarHBondContact OD2-N 3.48Å
147S93.1Very high96.8Very high94 Ų9434.7 Ų34.766%0.65720%0.198SC*.THydrogen-bonded Turntrans-59.8-20.8-179.564.10000114.2L145 K149L145-S147 PolarHBondContact O-N 2.84Å; S147-K149 VanDerWaalsContact C-N 3.35Å
148N92.3Very high97.1Very high110 Ų11030.7 Ų30.759%0.58816%0.156SC*.THydrogen-bonded Turntrans-84.2-15.1177.3-65.2-54.1000112.8D146 R313D146-N148 PolarHBondContact O-N 3.37Å; D146-N148 WeakPolarHBondContact OD1-CB 3.39Å; D146-N148 PolarHBondContact OD1-N 2.71Å; N148-R313 PolarHBondContact O-NE 2.64Å; N148-R313 PolarHBondContact O-NH2 3.02Å
149K94.6Very high97.2Very high36 Ų3628.1 Ų28.116%0.15715%0.146CC..THydrogen-bonded Turntrans-116.9-13.7-179.9-63-55.8-164.3174.30114.4Y129 D146 S147 Q151 K175 D194Y129-K149 VanDerWaalsContact CB-O 3.31Å; Y129-K149 WeakPolarHBondContact CB-O 3.26Å; Y129-K149 HydrophobicContact CD1-CB 3.71Å; Y129-K149 HydrophobicContact CD1-CG 4.43Å; Y129-K149 HydrophobicContact CD2-CB 3.89Å; Y129-K149 HydrophobicContact CE1-CB 4.17Å; Y129-K149 HydrophobicContact CE1-CG 4.42Å; Y129-K149 HydrophobicContact CE2-CB 4.35Å; Y129-K149 HydrophobicContact CG-CB 3.56Å; D146-K149 HydrophobicContact CB-CB 4.02Å; D146-K149 HydrophobicContact CB-CG 4.35Å; D146-K149 CarbonylContact O-C 3.49Å; D146-K149 PolarHBondContact O-N 3.03Å; D146-K149 PolarHBondContact OD1-N 3.08Å; D146-K149 WeakPolarHBondContact OD2-CG 3.46Å; S147-K149 VanDerWaalsContact C-N 3.35Å; K149-Q151 WeakPolarHBondContact O-CG 2.99Å; K149-Q151 PolarHBondContact O-N 2.83Å; K149-K175 HydrophobicContact CG-CB 3.93Å; K149-D194 IonicContact NZ-OD2 3.91Å; K149-D194 PolarHBondContact NZ-OD2 3.39Å
150D96.8Very high97.2Very high7 Ų729.2 Ų29.24%0.03715%0.15CC..  trans-39.9112.8178.2170.539.4000111.9Y129 R143 G144 D146 S152 Y312Y129-D150 WeakPolarHBondContact O-CA 3.14Å; R143-D150 VanDerWaalsContact CA-OD1 3.24Å; R143-D150 WeakPolarHBondContact CA-OD1 3.3Å; G144-D150 PolarHBondContact N-OD1 2.92Å; D146-D150 PolarHBondContact O-N 3.25Å; D150-S152 WeakPolarHBondContact OD1-CB 3.37Å; D150-S152 PolarHBondContact OD1-N 3.18Å; D150-S152 PolarHBondContact OD1-OG 3.34Å; D150-S152 VanDerWaalsContact OD1-OG 3.09Å; D150-S152 PolarHBondContact OD2-OG 3.49Å; D150-Y312 VanDerWaalsContact O-CE2 3.24Å; D150-Y312 WeakPolarHBondContact O-CE2 3.49Å
151Q97.1Very high97.2Very high48 Ų4830.6 Ų30.622%0.22416%0.161CC..  trans-102.310.4-174.4-88.6166.9-44.900112.8H128 Y129 V130 K149 Y153 F154 L155H128-Q151 HydrophobicContact CB-CB 4.44Å; Y129-Q151 PolarHBondContact O-N 2.77Å; V130-Q151 VanDerWaalsContact CG1-C 3.44Å; V130-Q151 HydrophobicContact CG1-CB 4.12Å; K149-Q151 WeakPolarHBondContact O-CG 2.99Å; K149-Q151 PolarHBondContact O-N 2.83Å; Q151-Y153 PolarHBondContact O-N 2.97Å; Q151-Y153 VanDerWaalsContact O-N 3.11Å; Q151-F154 HydrophobicContact CB-CD2 4.35Å; Q151-F154 HydrophobicContact CG-CD2 4.01Å; Q151-F154 HydrophobicContact CG-CE2 4.45Å; Q151-F154 PolarHBondContact O-N 3.39Å; Q151-L155 PolarHBondContact O-N 3.11Å
152S98.2Very high97.1Very high0 Ų032.3 Ų32.30%017%0.169CC..G310 helixtrans-59.8-28.2-179.263.30000112.5D150 F154 L155 Y156 Y349D150-S152 WeakPolarHBondContact OD1-CB 3.37Å; D150-S152 PolarHBondContact OD1-N 3.18Å; D150-S152 PolarHBondContact OD1-OG 3.34Å; D150-S152 VanDerWaalsContact OD1-OG 3.09Å; D150-S152 PolarHBondContact OD2-OG 3.49Å; S152-F154 VanDerWaalsContact C-N 3.25Å; S152-F154 PolarHBondContact O-N 3.16Å; S152-L155 PolarHBondContact O-N 3.17Å; S152-Y156 PolarHBondContact O-N 3.35Å; S152-Y156 VanDerWaalsContact O-N 3.17Å; S152-Y349 WeakPolarHBondContact OG-CE1 3.26Å; S152-Y349 PolarHBondContact OG-OH 3.34Å
153Y97.8Very high97.1Very high0 Ų031.3 Ų31.30%016%0.164CC..G310 helixtrans-58.6-35.3173.2179.4-88.1000112.6I100 Q151 Y156 K309 Y312 S345 V347 Y349I100-Y153 HydrophobicContact CD1-CD1 4.48Å; I100-Y153 HydrophobicContact CD1-CE1 3.88Å; Q151-Y153 PolarHBondContact O-N 2.97Å; Q151-Y153 VanDerWaalsContact O-N 3.11Å; Y153-Y156 WeakPolarHBondContact O-CD1 3.38Å; Y153-K309 HydrophobicContact CD2-CB 4.07Å; Y153-K309 HydrophobicContact CE2-CB 4.29Å; Y153-Y312 HydrophobicContact CD1-CD2 4.12Å; Y153-Y312 HydrophobicContact CD1-CG 4.39Å; Y153-Y312 HydrophobicContact CG-CD2 4.18Å; Y153-S345 PolarHBondContact OH-O 3.28Å; Y153-V347 HydrophobicContact CD2-CB 3.96Å; Y153-V347 HydrophobicContact CD2-CG2 3.5Å; Y153-V347 VanDerWaalsContact CD2-CG2 3.5Å; Y153-V347 HydrophobicContact CE2-CB 4.32Å; Y153-V347 HydrophobicContact CE2-CG2 3.62Å; Y153-V347 HydrophobicContact CG-CG2 4.2Å; Y153-Y349 WeakPolarHBondContact CA-OH 3.41Å; Y153-Y349 PolarHBondContact N-OH 3.47Å; Y153-Y349 VanDerWaalsContact N-OH 3.16Å
154F97.4Very high97.1Very high19 Ų1931.3 Ų31.38%0.08317%0.171CC..G310 helixtrans-85.4-15.4-179.5-62-77.6000113.4D99 I100 Q151 S152 Y312D99-F154 HydrophobicContact CB-CD1 3.83Å; D99-F154 HydrophobicContact CB-CE1 4.02Å; I100-F154 HydrophobicContact CG1-CD1 4.09Å; Q151-F154 HydrophobicContact CB-CD2 4.35Å; Q151-F154 HydrophobicContact CG-CD2 4.01Å; Q151-F154 HydrophobicContact CG-CE2 4.45Å; Q151-F154 PolarHBondContact O-N 3.39Å; S152-F154 VanDerWaalsContact C-N 3.25Å; S152-F154 PolarHBondContact O-N 3.16Å; F154-Y312 HydrophobicContact CD2-CD2 4.21Å; F154-Y312 HydrophobicContact CD2-CE2 4.16Å; F154-Y312 AromaticContact CE2-CD1 3.67Å; F154-Y312 HydrophobicContact CE2-CD1 3.67Å; F154-Y312 AromaticContact CE2-CD2 3.46Å; F154-Y312 HydrophobicContact CE2-CD2 3.46Å; F154-Y312 VanDerWaalsContact CE2-CD2 3.46Å; F154-Y312 AromaticContact CE2-CE1 3.64Å; F154-Y312 HydrophobicContact CE2-CE1 3.64Å; F154-Y312 AromaticContact CE2-CE2 3.47Å; F154-Y312 HydrophobicContact CE2-CE2 3.47Å; F154-Y312 VanDerWaalsContact CE2-CE2 3.47Å; F154-Y312 AromaticContact CE2-CG 3.58Å; F154-Y312 HydrophobicContact CE2-CG 3.58Å; F154-Y312 AromaticContact CE2-CZ 3.55Å; F154-Y312 AromaticContact CZ-CD1 3.53Å; F154-Y312 HydrophobicContact CZ-CD1 3.53Å; F154-Y312 AromaticContact CZ-CD2 3.87Å; F154-Y312 HydrophobicContact CZ-CD2 3.87Å; F154-Y312 AromaticContact CZ-CE1 3.91Å; F154-Y312 HydrophobicContact CZ-CE1 3.91Å; F154-Y312 HydrophobicContact CZ-CE2 4.27Å; F154-Y312 AromaticContact CZ-CG 3.5Å; F154-Y312 HydrophobicContact CZ-CG 3.5Å
155L98.3Very high97.1Very high0 Ų035.1 Ų35.10%019%0.187CC..SBendtrans-110.68.9-173.1-83.164.8000112.4N103 F108 H128 V130 L141 Q151 S152 T157 L158 F168N103-L155 HydrophobicContact CB-CD1 4.38Å; F108-L155 HydrophobicContact CE2-CD2 4.01Å; F108-L155 HydrophobicContact CE2-CG 4.02Å; F108-L155 HydrophobicContact CZ-CD2 3.94Å; F108-L155 HydrophobicContact CZ-CG 4.45Å; H128-L155 HydrophobicContact CB-CD2 4.08Å; V130-L155 HydrophobicContact CG1-CD2 4.11Å; V130-L155 HydrophobicContact CG2-CD2 3.75Å; L141-L155 HydrophobicContact CD2-CB 3.94Å; L141-L155 WeakPolarHBondContact CD2-O 3.31Å; Q151-L155 PolarHBondContact O-N 3.11Å; S152-L155 PolarHBondContact O-N 3.17Å; L155-T157 PolarHBondContact O-N 3.2Å; L155-T157 VanDerWaalsContact O-N 3.08Å; L155-L158 HydrophobicContact CB-CD1 4.04Å; L155-L158 HydrophobicContact CB-CG 4.34Å; L155-L158 HydrophobicContact CD2-CD1 4.12Å; L155-L158 HydrophobicContact CG-CD1 4Å; L155-L158 WeakPolarHBondContact O-CB 3.44Å; L155-L158 VanDerWaalsContact O-CG 3.3Å; L155-L158 WeakPolarHBondContact O-CG 3.4Å; L155-L158 PolarHBondContact O-N 3.46Å; L155-F168 HydrophobicContact CD2-CE1 3.9Å; L155-F168 HydrophobicContact CD2-CZ 4.24Å
156Y98.2Very high97.1Very high3 Ų331.1 Ų31.11%0.01217%0.166CC..THydrogen-bonded Turntrans-60.4-23.6-176.682.8-96.7000113.8I100 S152 Y153 L158 H293 S345 V347 G357I100-Y156 HydrophobicContact CD1-CE1 3.92Å; I100-Y156 HydrophobicContact CG1-CE1 4.43Å; I100-Y156 HydrophobicContact CG2-CD1 4.29Å; I100-Y156 HydrophobicContact CG2-CE1 3.61Å; S152-Y156 PolarHBondContact O-N 3.35Å; S152-Y156 VanDerWaalsContact O-N 3.17Å; Y153-Y156 WeakPolarHBondContact O-CD1 3.38Å; Y156-L158 VanDerWaalsContact C-N 3.25Å; Y156-L158 PolarHBondContact O-N 2.9Å; Y156-H293 HydrophobicContact CD2-CB 4.34Å; Y156-H293 HydrophobicContact CE2-CB 4.13Å; Y156-S345 WeakPolarHBondContact CE1-OG 3.41Å; Y156-S345 PolarHBondContact OH-OG 2.86Å; Y156-V347 HydrophobicContact CD1-CG2 3.54Å; Y156-V347 HydrophobicContact CE1-CG2 4.08Å; Y156-V347 HydrophobicContact CG-CG1 4.23Å; Y156-V347 HydrophobicContact CG-CG2 3.91Å; Y156-G357 WeakPolarHBondContact CE2-O 3.26Å
157T97.9Very high97.2Very high3 Ų331.4 Ų31.42%0.01817%0.167CC..THydrogen-bonded Turntrans-74.8-15.3-176.852.60000113I100 K104 L155 H293 R297I100-T157 HydrophobicContact CG2-CG2 3.78Å; K104-T157 HydrophobicContact CD-CG2 4.28Å; L155-T157 PolarHBondContact O-N 3.2Å; L155-T157 VanDerWaalsContact O-N 3.08Å; T157-H293 HydrophobicContact CG2-CB 4.37Å; T157-R297 PolarHBondContact O-NH1 3.07Å; T157-R297 PolarHBondContact O-NH2 3.43Å
158L98.3Very high97.5Very high0 Ų027.5 Ų27.50%014%0.138CC..  trans-68.4142.2-175.9-57.5-172000112.3F108 L155 Y156 I163 V295F108-L158 HydrophobicContact CB-CD1 4.27Å; F108-L158 HydrophobicContact CB-CD2 3.31Å; F108-L158 HydrophobicContact CB-CG 4.42Å; F108-L158 HydrophobicContact CD1-CD1 3.77Å; F108-L158 HydrophobicContact CD1-CD2 4.4Å; F108-L158 HydrophobicContact CD2-CD1 3.75Å; F108-L158 HydrophobicContact CD2-CD2 3.73Å; F108-L158 HydrophobicContact CD2-CG 4.32Å; F108-L158 HydrophobicContact CE1-CD1 4.04Å; F108-L158 HydrophobicContact CE2-CD1 4.02Å; F108-L158 HydrophobicContact CG-CD1 3.64Å; F108-L158 HydrophobicContact CG-CD2 3.56Å; F108-L158 HydrophobicContact CG-CG 4.25Å; F108-L158 HydrophobicContact CZ-CD1 4.18Å; L155-L158 HydrophobicContact CB-CD1 4.04Å; L155-L158 HydrophobicContact CB-CG 4.34Å; L155-L158 HydrophobicContact CD2-CD1 4.12Å; L155-L158 HydrophobicContact CG-CD1 4Å; L155-L158 WeakPolarHBondContact O-CB 3.44Å; L155-L158 VanDerWaalsContact O-CG 3.3Å; L155-L158 WeakPolarHBondContact O-CG 3.4Å; L155-L158 PolarHBondContact O-N 3.46Å; Y156-L158 VanDerWaalsContact C-N 3.25Å; Y156-L158 PolarHBondContact O-N 2.9Å; L158-I163 HydrophobicContact CB-CD1 4.14Å; L158-I163 HydrophobicContact CB-CG1 3.91Å; L158-I163 HydrophobicContact CD1-CG1 4.36Å; L158-V295 WeakPolarHBondContact O-CA 3.29Å
159S97.8Very high97.7Very high6 Ų623 Ų234%0.04212%0.115CC..  trans-80.4159.4170.974.80000111.1E161 Q162 I163 V295 R297S159-E161 PolarHBondContact O-N 3.04Å; S159-E161 PolarHBondContact OG-N 2.86Å; S159-Q162 PolarHBondContact O-N 3.42Å; S159-Q162 WeakPolarHBondContact OG-CG 3.34Å; S159-Q162 PolarHBondContact OG-N 2.97Å; S159-Q162 PolarHBondContact OG-OE1 3.02Å; S159-I163 WeakPolarHBondContact O-CD1 3.43Å; S159-I163 VanDerWaalsContact O-CG1 3.23Å; S159-I163 WeakPolarHBondContact O-CG1 3.26Å; S159-I163 PolarHBondContact O-N 2.83Å; S159-V295 CarbonylContact C-O 3.38Å; S159-R297 VanDerWaalsContact CB-CZ 3.49Å; S159-R297 VanDerWaalsContact N-NH2 3.12Å
160H97.8Very high97.9Very high33 Ų3321.3 Ų21.315%0.15311%0.107CC..Hα-helixtrans-57.3-27.3170.570.984.7000112.7K138 S139 A164 V295 D296K138-H160 HydrophobicContact CB-CB 4.22Å; S139-H160 WeakPolarHBondContact O-CA 3.37Å; S139-H160 VanDerWaalsContact O-CB 3.26Å; S139-H160 WeakPolarHBondContact O-CB 3.23Å; H160-A164 VanDerWaalsContact O-CB 3.28Å; H160-A164 WeakPolarHBondContact O-CB 3.26Å; H160-A164 PolarHBondContact O-N 3.35Å; H160-V295 PolarHBondContact N-O 3.5Å; H160-D296 PolarHBondContact CD2-O 3.26Å
161E97.5Very high98Very high126 Ų12621 Ų2159%0.58911%0.106SC*.Hα-helixtrans-73.1-47.2176.2-58.2178.6144.300111.5S159 I163 A164 Q165S159-E161 PolarHBondContact O-N 3.04Å; S159-E161 PolarHBondContact OG-N 2.86Å; E161-I163 VanDerWaalsContact C-N 3.26Å; E161-I163 PolarHBondContact O-N 3.11Å; E161-A164 WeakPolarHBondContact O-CB 2.91Å; E161-A164 PolarHBondContact O-N 2.78Å; E161-A164 VanDerWaalsContact O-N 3.12Å; E161-Q165 PolarHBondContact O-N 3.11Å; E161-Q165 VanDerWaalsContact O-N 3.1Å
162Q97.9Very high98Very high35 Ų3523.1 Ų23.116%0.16412%0.116CC..Hα-helixtrans-60.2-40.3174.4-69.6170.7-60.700110.6F108 L112 S159 Q165 S166F108-Q162 PolarHBondContact O-NE2 3.16Å; L112-Q162 HydrophobicContact CD2-CB 4.31Å; L112-Q162 HydrophobicContact CD2-CG 4.04Å; S159-Q162 PolarHBondContact O-N 3.42Å; S159-Q162 WeakPolarHBondContact OG-CG 3.34Å; S159-Q162 PolarHBondContact OG-N 2.97Å; S159-Q162 PolarHBondContact OG-OE1 3.02Å; Q162-Q165 PolarHBondContact O-N 2.92Å; Q162-S166 WeakPolarHBondContact O-CB 2.93Å; Q162-S166 PolarHBondContact O-N 2.81Å; Q162-S166 PolarHBondContact O-OG 2.9Å
163I98.4Very high98Very high0 Ų024.8 Ų24.80%013%0.125CC..Hα-helixtrans-66.6-39.9176-64.9158.1000110.8R132 L141 L158 S159 E161 Q165 S166 V295R132-I163 HydrophobicContact CB-CG2 4.38Å; R132-I163 WeakPolarHBondContact CD-O 3.45Å; R132-I163 HydrophobicContact CG-CG2 3.69Å; L141-I163 HydrophobicContact CB-CD1 3.74Å; L158-I163 HydrophobicContact CB-CD1 4.14Å; L158-I163 HydrophobicContact CB-CG1 3.91Å; L158-I163 HydrophobicContact CD1-CG1 4.36Å; S159-I163 WeakPolarHBondContact O-CD1 3.43Å; S159-I163 VanDerWaalsContact O-CG1 3.23Å; S159-I163 WeakPolarHBondContact O-CG1 3.26Å; S159-I163 PolarHBondContact O-N 2.83Å; E161-I163 VanDerWaalsContact C-N 3.26Å; E161-I163 PolarHBondContact O-N 3.11Å; I163-Q165 PolarHBondContact O-N 3.38Å; I163-S166 PolarHBondContact O-N 3.39Å; I163-V295 HydrophobicContact CD1-CG1 3.41Å; I163-V295 VanDerWaalsContact CD1-CG1 3.41Å
164A97.6Very high98Very high33 Ų3329.9 Ų29.927%0.27315%0.148SC..Hα-helixtrans-61.1-32177.300000112.5Y123 R132 S139 H160 E161 S166Y123-A164 WeakPolarHBondContact CE1-O 3.22Å; R132-A164 PolarHBondContact NH1-O 2.87Å; S139-A164 VanDerWaalsContact OG-CA 3.26Å; S139-A164 WeakPolarHBondContact OG-CA 3.42Å; S139-A164 VanDerWaalsContact OG-CB 3.23Å; S139-A164 WeakPolarHBondContact OG-CB 3.19Å; H160-A164 VanDerWaalsContact O-CB 3.28Å; H160-A164 WeakPolarHBondContact O-CB 3.26Å; H160-A164 PolarHBondContact O-N 3.35Å; E161-A164 WeakPolarHBondContact O-CB 2.91Å; E161-A164 PolarHBondContact O-N 2.78Å; E161-A164 VanDerWaalsContact O-N 3.12Å; A164-S166 VanDerWaalsContact C-N 3.33Å
165Q97.5Very high97.9Very high87 Ų8729.6 Ų29.641%0.40715%0.147SC..THydrogen-bonded Turntrans-89.14.3176.1-64.2-178.6-51.700113.8L112 Y123 I124 E161 Q162 I163L112-Q165 HydrophobicContact CD1-CB 3.76Å; Y123-Q165 WeakPolarHBondContact CA-O 3.47Å; I124-Q165 PolarHBondContact N-O 3.05Å; E161-Q165 PolarHBondContact O-N 3.11Å; E161-Q165 VanDerWaalsContact O-N 3.1Å; Q162-Q165 PolarHBondContact O-N 2.92Å; I163-Q165 PolarHBondContact O-N 3.38Å
166S98.2Very high97.8Very high0 Ų033.7 Ų33.70%017%0.174CC..EExtended strand (participates in β ladder)trans-120.1145-176.8-60.60000112.6F108 I124 R132 Q162 I163 A164F108-S166 WeakPolarHBondContact CD1-OG 3.24Å; I124-S166 WeakPolarHBondContact CG1-OG 3.37Å; I124-S166 CarbonylContact O-C 3.59Å; I124-S166 WeakPolarHBondContact O-CA 3.5Å; R132-S166 PolarHBondContact NH1-O 2.96Å; Q162-S166 WeakPolarHBondContact O-CB 2.93Å; Q162-S166 PolarHBondContact O-N 2.81Å; Q162-S166 PolarHBondContact O-OG 2.9Å; I163-S166 PolarHBondContact O-N 3.39Å; A164-S166 VanDerWaalsContact C-N 3.33Å
167L98.5Very high97.8Very high20 Ų2038.1 Ų38.111%0.10520%0.195CC..EExtended strand (participates in β ladder)trans-120.4142.2175.8-59.8174.6000111.4V8 L25 Y30 Y123 I124 A125 T126V8-L167 HydrophobicContact CG1-CD1 4.18Å; V8-L167 HydrophobicContact CG2-CD1 3.96Å; L25-L167 HydrophobicContact CD2-CB 4.39Å; L25-L167 HydrophobicContact CD2-CD1 3.68Å; Y30-L167 HydrophobicContact CE1-CD1 4.22Å; Y30-L167 HydrophobicContact CE2-CD1 4.42Å; Y123-L167 HydrophobicContact CD2-CD1 4.07Å; Y123-L167 HydrophobicContact CG-CD1 4.05Å; Y123-L167 HydrophobicContact CG-CG 4.21Å; I124-L167 PolarHBondContact O-N 3.24Å; A125-L167 WeakPolarHBondContact CA-O 3.35Å; A125-L167 HydrophobicContact CB-CB 4.05Å; T126-L167 PolarHBondContact N-O 3.38Å
168F98.4Very high97.8Very high12 Ų1238 Ų385%0.05319%0.194CC..  trans-133.161.7-176.6-50.3-76.4000112.7F108 T126 H128 V130 R132 L155 V170 G171F108-F168 AromaticContact CE1-CE1 3.71Å; F108-F168 HydrophobicContact CE1-CE1 3.71Å; F108-F168 AromaticContact CE1-CZ 3.79Å; F108-F168 HydrophobicContact CE1-CZ 3.79Å; F108-F168 AromaticContact CZ-CE1 3.67Å; F108-F168 HydrophobicContact CZ-CE1 3.67Å; F108-F168 HydrophobicContact CZ-CZ 4.12Å; T126-F168 WeakPolarHBondContact OG1-CD1 3.36Å; H128-F168 HydrophobicContact CB-CD1 4.2Å; V130-F168 HydrophobicContact CG2-CB 3.9Å; V130-F168 HydrophobicContact CG2-CD1 3.41Å; V130-F168 VanDerWaalsContact CG2-CD1 3.41Å; V130-F168 HydrophobicContact CG2-CD2 3.68Å; V130-F168 HydrophobicContact CG2-CE1 3.73Å; V130-F168 HydrophobicContact CG2-CE2 4Å; V130-F168 HydrophobicContact CG2-CG 3.37Å; V130-F168 HydrophobicContact CG2-CZ 4.02Å; V130-F168 WeakPolarHBondContact O-CB 3.21Å; R132-F168 HydrophobicContact CB-CD2 4.41Å; L155-F168 HydrophobicContact CD2-CE1 3.9Å; L155-F168 HydrophobicContact CD2-CZ 4.24Å; F168-V170 PolarHBondContact O-N 2.87Å; F168-V170 VanDerWaalsContact O-N 3.09Å; F168-G171 PolarHBondContact O-N 2.96Å
169P98.1Very high97.7Very high15 Ų1540.7 Ų40.710%0.09720%0.204CC..G310 helixtrans-54-35.2-171.6-2430.5000115.2S21 L24 L25 G171S21-P169 VanDerWaalsContact OG-CD 3.24Å; S21-P169 WeakPolarHBondContact OG-CD 3.31Å; S21-P169 WeakPolarHBondContact OG-CG 3.5Å; L24-P169 HydrophobicContact CB-CB 3.83Å; L24-P169 HydrophobicContact CD1-CB 3.75Å; L24-P169 HydrophobicContact CG-CB 4.46Å; L25-P169 HydrophobicContact CD1-CG 3.79Å; L25-P169 HydrophobicContact CD2-CG 3.79Å; L25-P169 HydrophobicContact CG-CG 3.55Å; P169-G171 VanDerWaalsContact C-N 3.31Å; P169-G171 PolarHBondContact O-N 3.21Å
170V98.2Very high97.7Very high0 Ų046.6 Ų46.60%023%0.229CC..G310 helixtrans-78.8-12.9-177.3-61.20000113.5V20 L24 G127 Y129 F168 E172 L173 V178V20-V170 HydrophobicContact CB-CG1 4.39Å; V20-V170 HydrophobicContact CG1-CG1 4.23Å; L24-V170 HydrophobicContact CD1-CG1 4.14Å; G127-V170 WeakPolarHBondContact O-CG2 3.38Å; Y129-V170 HydrophobicContact CE2-CG2 4.4Å; F168-V170 PolarHBondContact O-N 2.87Å; F168-V170 VanDerWaalsContact O-N 3.09Å; V170-E172 PolarHBondContact O-N 3.27Å; V170-L173 PolarHBondContact O-N 3.33Å; V170-V178 HydrophobicContact CB-CG2 4.15Å; V170-V178 HydrophobicContact CG1-CG1 4.44Å; V170-V178 HydrophobicContact CG1-CG2 4.2Å
171G97.9Very high97.7Very high0 Ų046.6 Ų46.60%023%0.23CC..G310 helixtrans-66.7-17177.100000114.4V130 R131 L145 F168 P169 L173V130-G171 WeakPolarHBondContact O-CA 3.33Å; R131-G171 WeakPolarHBondContact CG-O 3.39Å; L145-G171 PolarHBondContact N-O 3.2Å; F168-G171 PolarHBondContact O-N 2.96Å; P169-G171 VanDerWaalsContact C-N 3.31Å; P169-G171 PolarHBondContact O-N 3.21Å; G171-L173 VanDerWaalsContact C-N 3.3Å
172E97.6Very high97.7Very high94 Ų9440.6 Ų40.644%0.43920%0.202SC..G310 helixtrans-86.85.1173.8-58.1-63.3165.800113.1R131 L145 V170R131-E172 WeakPolarHBondContact CD-OE1 3.49Å; R131-E172 WeakPolarHBondContact CD-OE2 3.45Å; R131-E172 HydrophobicContact CG-CG 4.4Å; R131-E172 VanDerWaalsContact CG-OE1 3.32Å; R131-E172 WeakPolarHBondContact CG-OE1 3.34Å; L145-E172 WeakPolarHBondContact CD1-O 3.36Å; V170-E172 PolarHBondContact O-N 3.27Å
173L98.1Very high97.7Very high35 Ų3544.1 Ų44.118%0.18322%0.218CC..SBendtrans-130.2152.4-173.9-60176.6000111.7L24 V170 G171 V178 I181L24-L173 HydrophobicContact CD1-CD1 3.81Å; V170-L173 PolarHBondContact O-N 3.33Å; G171-L173 VanDerWaalsContact C-N 3.3Å; L173-V178 HydrophobicContact CB-CG2 3.82Å; L173-V178 HydrophobicContact CD1-CG2 4.07Å; L173-I181 HydrophobicContact CD1-CD1 3.89Å
174E97.6Very high97.7Very high107 Ų10750 Ų5050%0.525%0.249SC..  trans-78.8146.7165.8-60.4-171.7154.200111.5P176 Q177 V178E174-P176 VanDerWaalsContact C-N 3.29Å; E174-P176 VanDerWaalsContact O-N 3.17Å; E174-Q177 HydrophobicContact CB-CG 4.42Å; E174-Q177 WeakPolarHBondContact O-CA 3.2Å; E174-Q177 WeakPolarHBondContact O-CB 3.21Å; E174-Q177 PolarHBondContact O-N 3.1Å; E174-V178 PolarHBondContact O-N 2.7Å; E174-V178 VanDerWaalsContact O-N 3.1Å
175K95.6Very high97.6Very high12 Ų1250.5 Ų50.55%0.05225%0.247CC..Hα-helixtrans-51.7-40179.3-177.666.5174.1-1710113.9D17 Y129 D146 K149 Q177 V178 R179 D194D17-K175 IonicContact OD1-NZ 2.66Å; D17-K175 PolarHBondContact OD1-NZ 3.36Å; D17-K175 IonicContact OD2-NZ 2.64Å; D17-K175 PolarHBondContact OD2-NZ 2.83Å; Y129-K175 HydrophobicContact CE1-CB 4.49Å; Y129-K175 HydrophobicContact CE2-CD 4.41Å; Y129-K175 WeakPolarHBondContact OH-CD 3.31Å; D146-K175 WeakPolarHBondContact OD2-CB 3.47Å; D146-K175 PolarHBondContact OD2-N 3.48Å; K149-K175 HydrophobicContact CG-CB 3.93Å; K175-Q177 VanDerWaalsContact C-N 3.28Å; K175-Q177 PolarHBondContact O-N 3.05Å; K175-V178 PolarHBondContact O-N 2.88Å; K175-R179 PolarHBondContact O-N 3.23Å; K175-D194 WeakPolarHBondContact CE-OD1 3.31Å; K175-D194 IonicContact NZ-OD1 2.87Å; K175-D194 PolarHBondContact NZ-OD1 2.65Å; K175-D194 VanDerWaalsContact NZ-OD1 3.1Å
176P96.5Very high97.6Very high87 Ų8748.8 Ų48.857%0.56525%0.253SS*.Hα-helixtrans-61.4-35.1175.6-24.837.1000113.2E174 R179 K180E174-P176 VanDerWaalsContact C-N 3.29Å; E174-P176 VanDerWaalsContact O-N 3.17Å; P176-R179 PolarHBondContact O-N 3.36Å; P176-K180 WeakPolarHBondContact O-CB 3.45Å; P176-K180 PolarHBondContact O-N 2.8Å
177Q97.7Very high97.5Very high96 Ų9649.2 Ų49.245%0.44926%0.255SS..Hα-helixtrans-69-42.4176.2-61.1173-51.300110.9E174 K175 R179 K180 I181E174-Q177 HydrophobicContact CB-CG 4.42Å; E174-Q177 WeakPolarHBondContact O-CA 3.2Å; E174-Q177 WeakPolarHBondContact O-CB 3.21Å; E174-Q177 PolarHBondContact O-N 3.1Å; K175-Q177 VanDerWaalsContact C-N 3.28Å; K175-Q177 PolarHBondContact O-N 3.05Å; Q177-R179 PolarHBondContact O-N 2.97Å; Q177-K180 PolarHBondContact O-N 3.18Å; Q177-I181 WeakPolarHBondContact O-CG1 3.33Å; Q177-I181 PolarHBondContact O-N 3.2Å
178V97.7Very high97.4Very high0 Ų052.4 Ų52.40%028%0.275CS..Hα-helixtrans-58.5-46.9174.31760000110.8V20 Y129 V170 L173 E174 K175 K180 I181 A182V20-V178 HydrophobicContact CB-CG1 3.82Å; V20-V178 HydrophobicContact CG1-CG1 4Å; V20-V178 HydrophobicContact CG2-CG1 3.82Å; V20-V178 WeakPolarHBondContact CG2-O 3.46Å; Y129-V178 HydrophobicContact CE1-CG2 4.28Å; Y129-V178 WeakPolarHBondContact OH-CG2 3.28Å; V170-V178 HydrophobicContact CB-CG2 4.15Å; V170-V178 HydrophobicContact CG1-CG1 4.44Å; V170-V178 HydrophobicContact CG1-CG2 4.2Å; L173-V178 HydrophobicContact CB-CG2 3.82Å; L173-V178 HydrophobicContact CD1-CG2 4.07Å; E174-V178 PolarHBondContact O-N 2.7Å; E174-V178 VanDerWaalsContact O-N 3.1Å; K175-V178 PolarHBondContact O-N 2.88Å; V178-K180 PolarHBondContact O-N 2.61Å; V178-I181 PolarHBondContact O-N 3Å; V178-A182 PolarHBondContact O-N 2.99Å
179R97.1Very high97.1Very high56 Ų5651.8 Ų51.821%0.21127%0.273CS..Hα-helixtrans-62.6-41.2176.7-74-171.6173.6-80.7-1.5112.3K175 P176 Q177 I181 A182 E183 A190 K192 D194K175-R179 PolarHBondContact O-N 3.23Å; P176-R179 PolarHBondContact O-N 3.36Å; Q177-R179 PolarHBondContact O-N 2.97Å; R179-I181 PolarHBondContact O-N 2.87Å; R179-A182 PolarHBondContact O-N 3.29Å; R179-E183 WeakPolarHBondContact O-CG 3.01Å; R179-E183 PolarHBondContact O-N 3.24Å; R179-A190 PolarHBondContact NH1-O 2.91Å; R179-K192 PolarHBondContact NH1-O 3.18Å; R179-K192 PolarHBondContact NH2-O 2.81Å; R179-D194 IonicContact CZ-OD1 3.59Å; R179-D194 IonicContact NH2-OD1 3.51Å; R179-D194 PolarHBondContact NH2-OD1 3.23Å
180K97.8Very high96.9Very high131 Ų13151.4 Ų51.457%0.5727%0.271SS*.Hα-helixtrans-60.2-45.6176.2-175.4178.8177.9-176.70111.9P176 Q177 V178 A182 E183 D184P176-K180 WeakPolarHBondContact O-CB 3.45Å; P176-K180 PolarHBondContact O-N 2.8Å; Q177-K180 PolarHBondContact O-N 3.18Å; V178-K180 PolarHBondContact O-N 2.61Å; K180-A182 VanDerWaalsContact C-N 3.31Å; K180-A182 PolarHBondContact O-N 3.23Å; K180-E183 PolarHBondContact O-N 2.66Å; K180-D184 WeakPolarHBondContact O-CB 3.36Å; K180-D184 VanDerWaalsContact O-CG 3.28Å; K180-D184 PolarHBondContact O-N 2.9Å
181I98.1Very high96.4Very high33 Ų3360 Ų6017%0.16931%0.308CS..Hα-helixtrans-58.3-45.9175.6-67.1163.8000110.4V20 W23 L173 Q177 V178 R179 E183 D184 L185V20-I181 HydrophobicContact CG1-CB 4.18Å; V20-I181 HydrophobicContact CG1-CD1 4.17Å; V20-I181 HydrophobicContact CG1-CG2 3.88Å; V20-I181 HydrophobicContact CG2-CB 4.45Å; V20-I181 HydrophobicContact CG2-CG2 4.26Å; W23-I181 HydrophobicContact CD2-CG2 4.29Å; W23-I181 HydrophobicContact CE3-CG2 3.6Å; W23-I181 HydrophobicContact CH2-CG2 4.33Å; W23-I181 HydrophobicContact CZ3-CD1 4.47Å; W23-I181 HydrophobicContact CZ3-CG2 3.62Å; L173-I181 HydrophobicContact CD1-CD1 3.89Å; Q177-I181 WeakPolarHBondContact O-CG1 3.33Å; Q177-I181 PolarHBondContact O-N 3.2Å; V178-I181 PolarHBondContact O-N 3Å; R179-I181 PolarHBondContact O-N 2.87Å; I181-E183 VanDerWaalsContact C-N 3.32Å; I181-E183 PolarHBondContact O-N 2.82Å; I181-D184 PolarHBondContact O-N 3.04Å; I181-L185 HydrophobicContact CG2-CD1 3.74Å; I181-L185 HydrophobicContact CG2-CG 4.37Å; I181-L185 WeakPolarHBondContact O-CB 3.1Å; I181-L185 WeakPolarHBondContact O-CG 3.34Å; I181-L185 PolarHBondContact O-N 3.31Å
182A97.9Very high96Very high0 Ų062.6 Ų62.60%032%0.319CS..Hα-helixtrans-62.3-38.2178.600000113.1V16 V20 V178 R179 K180 G186 L187 A190V16-A182 HydrophobicContact CG2-CB 3.39Å; V20-A182 HydrophobicContact CG2-CB 3.8Å; V178-A182 PolarHBondContact O-N 2.99Å; R179-A182 PolarHBondContact O-N 3.29Å; K180-A182 VanDerWaalsContact C-N 3.31Å; K180-A182 PolarHBondContact O-N 3.23Å; A182-G186 PolarHBondContact O-N 2.88Å; A182-L187 HydrophobicContact CB-CB 4.48Å; A182-L187 HydrophobicContact CB-CD1 4.04Å; A182-L187 PolarHBondContact O-N 3.19Å; A182-A190 HydrophobicContact CB-CB 3.86Å
183E97.5Very high95.5Very high108 Ų10867 Ų6751%0.50534%0.337SS..Hα-helixtrans-66.6-46.7174.8-72.8177.8-177.900111.9R179 K180 I181 L185 G186 A190R179-E183 WeakPolarHBondContact O-CG 3.01Å; R179-E183 PolarHBondContact O-N 3.24Å; K180-E183 PolarHBondContact O-N 2.66Å; I181-E183 VanDerWaalsContact C-N 3.32Å; I181-E183 PolarHBondContact O-N 2.82Å; E183-L185 PolarHBondContact O-N 2.86Å; E183-G186 WeakPolarHBondContact O-CA 3.43Å; E183-G186 PolarHBondContact O-N 3.47Å; E183-A190 HydrophobicContact CG-CB 3.9Å
184D97.9Very high94.9Very high123 Ų12368.2 Ų68.266%0.65834%0.343SS*.Hα-helixtrans-62-33.2179.6-71.1-21000111.7K180 I181 G186K180-D184 WeakPolarHBondContact O-CB 3.36Å; K180-D184 VanDerWaalsContact O-CG 3.28Å; K180-D184 PolarHBondContact O-N 2.9Å; I181-D184 PolarHBondContact O-N 3.04Å; D184-G186 VanDerWaalsContact C-N 3.31Å
185L96.7Very high94Very high44 Ų4468.5 Ų68.523%0.2336%0.357CS..THydrogen-bonded Turntrans-79-12.4174-66.7171.6000113.7W23 K64 I181 E183 L187W23-L185 HydrophobicContact CB-CD1 4Å; W23-L185 HydrophobicContact CD2-CD1 3.65Å; W23-L185 HydrophobicContact CD2-CD2 4.38Å; W23-L185 HydrophobicContact CE3-CD1 4.28Å; W23-L185 HydrophobicContact CG-CD1 3.48Å; W23-L185 VanDerWaalsContact CG-CD1 3.48Å; W23-L185 HydrophobicContact CG-CD2 4.39Å; W23-L185 HydrophobicContact CZ2-CD2 4.28Å; K64-L185 WeakPolarHBondContact CE-O 3.45Å; I181-L185 HydrophobicContact CG2-CD1 3.74Å; I181-L185 HydrophobicContact CG2-CG 4.37Å; I181-L185 WeakPolarHBondContact O-CB 3.1Å; I181-L185 WeakPolarHBondContact O-CG 3.34Å; I181-L185 PolarHBondContact O-N 3.31Å; E183-L185 PolarHBondContact O-N 2.86Å; L185-L187 HydrophobicContact CB-CD1 4.39Å; L185-L187 HydrophobicContact CB-CD2 4.13Å; L185-L187 HydrophobicContact CB-CG 3.83Å; L185-L187 HydrophobicContact CD1-CD1 4.18Å; L185-L187 HydrophobicContact CD1-CG 4.48Å
186G96.7Very high93.2Very high51 Ų5171.9 Ų71.953%0.52638%0.379SS..THydrogen-bonded Turntrans6439.6-175.400000113.1A182 E183 D184A182-G186 PolarHBondContact O-N 2.88Å; E183-G186 WeakPolarHBondContact O-CA 3.43Å; E183-G186 PolarHBondContact O-N 3.47Å; D184-G186 VanDerWaalsContact C-N 3.31Å
187L96.7Very high92.4Very high9 Ų970.2 Ų70.25%0.04738%0.377CS..  trans-73.9141177.9-58.3-179.4000111.1K64 L65 A182 L185 T189 A190K64-L187 HydrophobicContact CB-CD2 4.48Å; K64-L187 HydrophobicContact CG-CD2 3.93Å; L65-L187 HydrophobicContact CD2-CD2 4.44Å; A182-L187 HydrophobicContact CB-CB 4.48Å; A182-L187 HydrophobicContact CB-CD1 4.04Å; A182-L187 PolarHBondContact O-N 3.19Å; L185-L187 HydrophobicContact CB-CD1 4.39Å; L185-L187 HydrophobicContact CB-CD2 4.13Å; L185-L187 HydrophobicContact CB-CG 3.83Å; L185-L187 HydrophobicContact CD1-CD1 4.18Å; L185-L187 HydrophobicContact CD1-CG 4.48Å; L187-T189 PolarHBondContact O-N 2.99Å; L187-A190 VanDerWaalsContact O-CB 3.24Å; L187-A190 WeakPolarHBondContact O-CB 3.41Å; L187-A190 PolarHBondContact O-N 3.42Å; L187-A190 VanDerWaalsContact O-N 3.11Å
188V95Very high91.5Very high87 Ų8766.7 Ų66.753%0.52736%0.361SS..G310 helixtrans-59.9-30.8177.370.20000112.2D57 A60 V61 A190D57-V188 HydrophobicContact CB-CG1 4.44Å; A60-V188 HydrophobicContact CB-CG1 3.99Å; V61-V188 HydrophobicContact CG2-CG1 4.21Å; V188-A190 VanDerWaalsContact C-N 3.33Å; V188-A190 PolarHBondContact O-N 2.76Å
189T93Very high90.6Very high0 Ų067.9 Ų67.90%037%0.37CS..G310 helixtrans-79.8-8-179.256.50000114G14 S19 D57 V61 L187 K191 K192G14-T189 VanDerWaalsContact O-CG2 3.27Å; G14-T189 WeakPolarHBondContact O-CG2 3.45Å; S19-T189 PolarHBondContact OG-OG1 2.84Å; D57-T189 HydrophobicContact CB-CG2 4.06Å; V61-T189 HydrophobicContact CG2-CG2 3.91Å; L187-T189 PolarHBondContact O-N 2.99Å; T189-K191 PolarHBondContact O-N 3.29Å; T189-K191 VanDerWaalsContact O-N 3.14Å; T189-K192 VanDerWaalsContact O-CB 3.25Å; T189-K192 WeakPolarHBondContact O-CB 3.44Å; T189-K192 PolarHBondContact O-N 2.94Å
190A93Very high89.7Confident6 Ų667.9 Ų67.95%0.0537%0.371CS..G310 helixtrans-55-39-17300000113.5R179 A182 E183 L187 V188R179-A190 PolarHBondContact NH1-O 2.91Å; A182-A190 HydrophobicContact CB-CB 3.86Å; E183-A190 HydrophobicContact CG-CB 3.9Å; L187-A190 VanDerWaalsContact O-CB 3.24Å; L187-A190 WeakPolarHBondContact O-CB 3.41Å; L187-A190 PolarHBondContact O-N 3.42Å; L187-A190 VanDerWaalsContact O-N 3.11Å; V188-A190 VanDerWaalsContact C-N 3.33Å; V188-A190 PolarHBondContact O-N 2.76Å
191K89.3Confident88.7Confident182 Ų18261.7 Ų61.779%0.79135%0.345SS*.G310 helixtrans-96.31.1179.8-63.4-176.9-178.7177.70113.8T189T189-K191 PolarHBondContact O-N 3.29Å; T189-K191 VanDerWaalsContact O-N 3.14Å
192K89.4Confident87.7Confident54 Ų5461.3 Ų61.324%0.23535%0.349CS..PPolyproline II helixtrans-65.4137.4179.7-162.2167.3179.9173.40109.3G14 D54 D57 R179 T189G14-K192 WeakPolarHBondContact O-CD 3.36Å; G14-K192 PolarHBondContact O-NZ 3.29Å; D54-K192 IonicContact OD1-NZ 2.72Å; D54-K192 PolarHBondContact OD1-NZ 3.31Å; D57-K192 IonicContact OD2-NZ 3.45Å; D57-K192 PolarHBondContact OD2-NZ 3.03Å; R179-K192 PolarHBondContact NH1-O 3.18Å; R179-K192 PolarHBondContact NH2-O 2.81Å; T189-K192 VanDerWaalsContact O-CB 3.25Å; T189-K192 WeakPolarHBondContact O-CB 3.44Å; T189-K192 PolarHBondContact O-N 2.94Å
193K87.3Confident86.6Confident187 Ų18768.4 Ų68.481%0.81338%0.382SS*.PPolyproline II helixtrans-67.4153.6175.4-69-177.2-179.7177.50109.3
194D84.1Confident85.7Confident59 Ų5966.8 Ų66.832%0.31637%0.371SS..PPolyproline II helixtrans-65.4140.5173.7-61.9-22.8000109.4K149 K175 R179 T196K149-D194 IonicContact NZ-OD2 3.91Å; K149-D194 PolarHBondContact NZ-OD2 3.39Å; K175-D194 WeakPolarHBondContact CE-OD1 3.31Å; K175-D194 IonicContact NZ-OD1 2.87Å; K175-D194 PolarHBondContact NZ-OD1 2.65Å; K175-D194 VanDerWaalsContact NZ-OD1 3.1Å; R179-D194 IonicContact CZ-OD1 3.59Å; R179-D194 IonicContact NH2-OD1 3.51Å; R179-D194 PolarHBondContact NH2-OD1 3.23Å; D194-T196 PolarHBondContact O-N 2.91Å
195S79Confident84.8Confident113 Ų11367.7 Ų67.779%0.7937%0.369SS*.PPolyproline II helixtrans-62.1130.5179-52.90000110.7
196T78Confident83.9Confident84 Ų8469.2 Ų69.252%0.51537%0.374SS..  trans-115.6157.2175.348.50000109.7D194 G202 E203D194-T196 PolarHBondContact O-N 2.91Å; T196-G202 CarbonylContact O-C 3.48Å; T196-E203 PolarHBondContact O-N 3.25Å; T196-E203 PolarHBondContact OG1-OE2 3.27Å
197G81Confident83.1Confident51 Ų5172.7 Ų72.753%0.52637%0.371SS..SBendtrans90.7-155.7-179.100000113G202G197-G202 WeakPolarHBondContact CA-O 3.38Å
198I78.4Confident82.4Confident22 Ų2277.7 Ų77.711%0.11340%0.395CS..BIsolated β-bridgetrans-85.1138-178-58.4167.4000108.5F86 P98 F200 I201 G202 F206 F209F86-I198 HydrophobicContact CZ-CD1 4.21Å; P98-I198 HydrophobicContact CB-CG2 4.03Å; P98-I198 HydrophobicContact CG-CG1 4.27Å; P98-I198 HydrophobicContact CG-CG2 3.64Å; I198-F200 PolarHBondContact O-N 3.43Å; I198-I201 HydrophobicContact CB-CB 4.14Å; I198-I201 HydrophobicContact CB-CD1 4.45Å; I198-I201 HydrophobicContact CG2-CB 4.34Å; I198-I201 HydrophobicContact CG2-CD1 3.88Å; I198-I201 HydrophobicContact CG2-CG1 4.44Å; I198-I201 PolarHBondContact O-N 2.83Å; I198-G202 PolarHBondContact N-O 3.36Å; I198-G202 PolarHBondContact O-N 3.13Å; I198-F206 HydrophobicContact CD1-CD2 4.36Å; I198-F206 HydrophobicContact CD1-CE2 4.02Å; I198-F209 HydrophobicContact CD1-CE1 4.25Å
199C78.7Confident81.9Confident26 Ų2673.9 Ų73.918%0.17637%0.371CS..THydrogen-bonded Turntrans-50.7130.7178.1-166.90000111.1Y78 D99 C102 I201Y78-C199 PolarHBondContact OH-O 2.99Å; D99-C199 VanDerWaalsContact OD1-CB 3.26Å; D99-C199 WeakPolarHBondContact OD1-CB 3.35Å; D99-C199 PolarHBondContact OD1-N 2.99Å; C102-C199 VanDerWaalsContact SG-SG 3.64Å; C199-I201 PolarHBondContact O-N 3.29Å
200F78.1Confident81.4Confident55 Ų5573.9 Ų73.924%0.24137%0.371CS..THydrogen-bonded Turntrans67.4-28.5-176.7-49-61.4000117.5N39 W40 Y78 C102 I198N39-F200 HydrophobicContact CB-CB 4.11Å; N39-F200 HydrophobicContact CB-CD1 4.29Å; N39-F200 HydrophobicContact CB-CD2 3.62Å; N39-F200 HydrophobicContact CB-CE2 4.05Å; N39-F200 HydrophobicContact CB-CG 3.75Å; N39-F200 WeakPolarHBondContact ND2-CD2 3.38Å; N39-F200 WeakPolarHBondContact ND2-CE1 3.47Å; N39-F200 WeakPolarHBondContact ND2-CE2 3.25Å; N39-F200 WeakPolarHBondContact ND2-CZ 3.29Å; W40-F200 HydrophobicContact CB-CB 4.49Å; Y78-F200 HydrophobicContact CD2-CD2 4.11Å; Y78-F200 AromaticContact CE2-CD2 3.88Å; Y78-F200 HydrophobicContact CE2-CD2 3.88Å; C102-F200 WeakPolarHBondContact SG-CE2 3.14Å; I198-F200 PolarHBondContact O-N 3.43Å
201I76.2Confident81.1Confident2 Ų275.5 Ų75.51%0.0139%0.388CS..THydrogen-bonded Turntrans-83.7-27.1176.7-62.5166.9000111.5W40 Y78 F83 I198 C199 R204 F209W40-I201 HydrophobicContact CD2-CD1 4.25Å; W40-I201 HydrophobicContact CD2-CG1 3.58Å; W40-I201 HydrophobicContact CE3-CD1 3.98Å; W40-I201 HydrophobicContact CE3-CG1 3.76Å; W40-I201 HydrophobicContact CG-CG1 4.02Å; W40-I201 HydrophobicContact CH2-CD1 4.03Å; W40-I201 HydrophobicContact CH2-CG1 4.36Å; W40-I201 HydrophobicContact CZ2-CD1 4.28Å; W40-I201 HydrophobicContact CZ2-CG1 4.21Å; W40-I201 HydrophobicContact CZ3-CD1 3.88Å; W40-I201 HydrophobicContact CZ3-CG1 4.15Å; Y78-I201 HydrophobicContact CE1-CD1 4.05Å; Y78-I201 HydrophobicContact CE1-CG1 4.46Å; Y78-I201 WeakPolarHBondContact OH-CD1 3.49Å; F83-I201 HydrophobicContact CD2-CD1 4.32Å; F83-I201 HydrophobicContact CE2-CD1 4.36Å; I198-I201 HydrophobicContact CB-CB 4.14Å; I198-I201 HydrophobicContact CB-CD1 4.45Å; I198-I201 HydrophobicContact CG2-CB 4.34Å; I198-I201 HydrophobicContact CG2-CD1 3.88Å; I198-I201 HydrophobicContact CG2-CG1 4.44Å; I198-I201 PolarHBondContact O-N 2.83Å; C199-I201 PolarHBondContact O-N 3.29Å; I201-R204 HydrophobicContact CG2-CG 3.99Å; I201-R204 PolarHBondContact O-NE 3Å; I201-F209 HydrophobicContact CD1-CE1 4.49Å; I201-F209 HydrophobicContact CD1-CZ 3.95Å; I201-F209 HydrophobicContact CG2-CD2 4.5Å; I201-F209 HydrophobicContact CG2-CE2 3.9Å; I201-F209 HydrophobicContact CG2-CZ 3.96Å
202G77.6Confident80.9Confident25 Ų2574.1 Ų74.126%0.25838%0.378SS..BIsolated β-bridgetrans78.3-163.8177.900000114.3T196 G197 I198 R204T196-G202 CarbonylContact O-C 3.48Å; G197-G202 WeakPolarHBondContact CA-O 3.38Å; I198-G202 PolarHBondContact N-O 3.36Å; I198-G202 PolarHBondContact O-N 3.13Å; G202-R204 PolarHBondContact O-N 2.86Å
203E75.5Confident80.8Confident149 Ų14974.2 Ų74.270%0.69638%0.377SS*.SBendtrans-78.7110.7-179.6-168.8169.8167.700110.5T196T196-E203 PolarHBondContact O-N 3.25Å; T196-E203 PolarHBondContact OG1-OE2 3.27Å
204R77.8Confident80.7Confident74 Ų7466.2 Ų66.228%0.27934%0.343SS..  trans-124.7153.1175.5-58.5-67.3-177.6170.3-0.6109.4D43 E46 I201 G202 F206 F209D43-R204 VanDerWaalsContact CB-NH2 3.28Å; D43-R204 IonicContact OD2-NH2 2.7Å; E46-R204 IonicContact OE1-NH1 2.83Å; E46-R204 PolarHBondContact OE1-NH1 3.4Å; E46-R204 IonicContact OE2-CZ 2.82Å; E46-R204 IonicContact OE2-NH1 3.88Å; E46-R204 PolarHBondContact OE2-NH1 2.91Å; E46-R204 IonicContact OE2-NH2 3.66Å; E46-R204 PolarHBondContact OE2-NH2 2.93Å; E46-R204 VanDerWaalsContact OE2-NH2 3.1Å; I201-R204 HydrophobicContact CG2-CG 3.99Å; I201-R204 PolarHBondContact O-NE 3Å; G202-R204 PolarHBondContact O-N 2.86Å; R204-F206 VanDerWaalsContact C-N 3.33Å; R204-F206 PolarHBondContact O-N 2.79Å; R204-F209 HydrophobicContact CB-CB 4.07Å; R204-F209 HydrophobicContact CB-CG 4.41Å; R204-F209 HydrophobicContact CG-CD2 4.43Å
205K79.4Confident80.7Confident142 Ų14267.8 Ų67.862%0.61736%0.357SS*.  trans-65.698.6165.5-74.5175.9175.7174.70108.3R207 E208 F209K205-R207 PolarHBondContact O-N 3.1Å; K205-E208 HydrophobicContact CB-CB 4.11Å; K205-E208 HydrophobicContact CB-CG 4.19Å; K205-E208 HydrophobicContact CD-CG 4.26Å; K205-E208 WeakPolarHBondContact CD-OE1 3.45Å; K205-E208 VanDerWaalsContact CD-OE2 3.24Å; K205-E208 WeakPolarHBondContact CD-OE2 3.48Å; K205-E208 IonicContact NZ-OE1 3.39Å; K205-E208 PolarHBondContact NZ-OE1 2.76Å; K205-E208 IonicContact NZ-OE2 3.95Å; K205-E208 PolarHBondContact O-N 3.37Å; K205-F209 PolarHBondContact O-N 3.41Å
206F78Confident80.8Confident75 Ų7564.9 Ų64.933%0.32934%0.34SS..Hα-helixtrans-48.3-43.9-167.3-168-105.8000114.2F86 Y90 I198 R204 F209 L210F86-F206 HydrophobicContact CE2-CE2 4.5Å; F86-F206 HydrophobicContact CE2-CZ 4.46Å; F86-F206 AromaticContact CZ-CE2 3.82Å; F86-F206 HydrophobicContact CZ-CE2 3.82Å; F86-F206 AromaticContact CZ-CZ 3.83Å; F86-F206 HydrophobicContact CZ-CZ 3.83Å; Y90-F206 AromaticContact CE1-CE1 3.93Å; Y90-F206 HydrophobicContact CE1-CE1 3.93Å; Y90-F206 HydrophobicContact CE1-CZ 4.04Å; Y90-F206 HydrophobicContact CE2-CE1 4.45Å; Y90-F206 AromaticContact CE2-CZ 3.75Å; Y90-F206 HydrophobicContact CE2-CZ 3.75Å; Y90-F206 AromaticContact CZ-CE1 3.71Å; Y90-F206 AromaticContact CZ-CZ 3.37Å; Y90-F206 WeakPolarHBondContact OH-CE1 3.38Å; Y90-F206 WeakPolarHBondContact OH-CZ 3.43Å; I198-F206 HydrophobicContact CD1-CD2 4.36Å; I198-F206 HydrophobicContact CD1-CE2 4.02Å; R204-F206 VanDerWaalsContact C-N 3.33Å; R204-F206 PolarHBondContact O-N 2.79Å; F206-F209 PolarHBondContact O-N 2.88Å; F206-L210 HydrophobicContact CD1-CD1 3.92Å; F206-L210 HydrophobicContact CD1-CG 4.47Å; F206-L210 HydrophobicContact CE1-CD1 3.22Å; F206-L210 HydrophobicContact CE1-CG 4Å; F206-L210 HydrophobicContact CE2-CD1 4.44Å; F206-L210 HydrophobicContact CE2-CG 4.46Å; F206-L210 HydrophobicContact CZ-CD1 3.51Å; F206-L210 HydrophobicContact CZ-CG 3.96Å; F206-L210 WeakPolarHBondContact O-CB 3.49Å; F206-L210 PolarHBondContact O-N 2.9Å
207R79.6Confident81.3Confident124 Ų12466.4 Ų66.447%0.46834%0.341SS..Hα-helixtrans-65.6-42.3177.5-179.5171.9170.6-159.4-14.5113.6K205 F209 G211 Q233 Y237K205-R207 PolarHBondContact O-N 3.1Å; R207-F209 VanDerWaalsContact C-N 3.35Å; R207-G211 PolarHBondContact O-N 2.86Å; R207-Q233 VanDerWaalsContact NH2-OE1 3.12Å; R207-Y237 HydrophobicContact CB-CD1 4.11Å; R207-Y237 HydrophobicContact CB-CE1 4.28Å; R207-Y237 HydrophobicContact CB-CG 4.43Å; R207-Y237 HydrophobicContact CG-CD1 3.88Å; R207-Y237 HydrophobicContact CG-CD2 3.94Å; R207-Y237 HydrophobicContact CG-CE1 3.83Å; R207-Y237 HydrophobicContact CG-CE2 3.88Å; R207-Y237 HydrophobicContact CG-CG 3.93Å
208E82.3Confident81.9Confident115 Ų11567.2 Ų67.254%0.53734%0.337SS..Hα-helixtrans-68.7-37.9177.4-68.5178.1-166.100110.8K205 G211K205-E208 HydrophobicContact CB-CB 4.11Å; K205-E208 HydrophobicContact CB-CG 4.19Å; K205-E208 HydrophobicContact CD-CG 4.26Å; K205-E208 WeakPolarHBondContact CD-OE1 3.45Å; K205-E208 VanDerWaalsContact CD-OE2 3.24Å; K205-E208 WeakPolarHBondContact CD-OE2 3.48Å; K205-E208 IonicContact NZ-OE1 3.39Å; K205-E208 PolarHBondContact NZ-OE1 2.76Å; K205-E208 IonicContact NZ-OE2 3.95Å; K205-E208 PolarHBondContact O-N 3.37Å; E208-G211 PolarHBondContact O-N 2.86Å
209F84.3Confident82.7Confident7 Ų766.7 Ų66.73%0.03134%0.337CS..Hα-helixtrans-63.4-55.3176.3174.4-105000111.7W40 F83 I198 I201 R204 K205 F206 R207 G211 R212 Y213W40-F209 HydrophobicContact CH2-CZ 4.24Å; W40-F209 HydrophobicContact CZ2-CE2 4.04Å; W40-F209 HydrophobicContact CZ2-CZ 4.13Å; F83-F209 AromaticContact CE2-CE1 3.71Å; F83-F209 HydrophobicContact CE2-CE1 3.71Å; F83-F209 AromaticContact CE2-CZ 3.54Å; F83-F209 HydrophobicContact CE2-CZ 3.54Å; F83-F209 HydrophobicContact CZ-CE1 4.04Å; F83-F209 AromaticContact CZ-CZ 3.67Å; F83-F209 HydrophobicContact CZ-CZ 3.67Å; I198-F209 HydrophobicContact CD1-CE1 4.25Å; I201-F209 HydrophobicContact CD1-CE1 4.49Å; I201-F209 HydrophobicContact CD1-CZ 3.95Å; I201-F209 HydrophobicContact CG2-CD2 4.5Å; I201-F209 HydrophobicContact CG2-CE2 3.9Å; I201-F209 HydrophobicContact CG2-CZ 3.96Å; R204-F209 HydrophobicContact CB-CB 4.07Å; R204-F209 HydrophobicContact CB-CG 4.41Å; R204-F209 HydrophobicContact CG-CD2 4.43Å; K205-F209 PolarHBondContact O-N 3.41Å; F206-F209 PolarHBondContact O-N 2.88Å; R207-F209 VanDerWaalsContact C-N 3.35Å; F209-G211 VanDerWaalsContact C-N 3.25Å; F209-G211 PolarHBondContact O-N 3.04Å; F209-R212 WeakPolarHBondContact O-CB 3.41Å; F209-R212 PolarHBondContact O-N 2.96Å; F209-R212 VanDerWaalsContact O-N 3.16Å; F209-Y213 HydrophobicContact CD2-CE2 4.26Å; F209-Y213 AromaticContact CE2-CE2 3.81Å; F209-Y213 HydrophobicContact CE2-CE2 3.81Å; F209-Y213 AromaticContact CZ-CE2 3.96Å; F209-Y213 HydrophobicContact CZ-CE2 3.96Å; F209-Y213 WeakPolarHBondContact O-CD2 3.31Å
210L83.1Confident83.6Confident0 Ų070.2 Ų70.20%035%0.35CS..Hα-helixtrans-60.5-35.5177.4-82.1-174.1000112.5F86 L87 Y90 F206 R212 Y213 L214 Y237F86-L210 HydrophobicContact CE1-CD2 3.58Å; F86-L210 HydrophobicContact CZ-CD2 4.11Å; L87-L210 HydrophobicContact CD2-CD2 3.95Å; Y90-L210 HydrophobicContact CD1-CD1 4.08Å; Y90-L210 HydrophobicContact CD2-CD1 4.42Å; Y90-L210 HydrophobicContact CD2-CD2 4.42Å; Y90-L210 HydrophobicContact CE1-CD1 4.19Å; Y90-L210 HydrophobicContact CG-CD1 4.18Å; F206-L210 HydrophobicContact CD1-CD1 3.92Å; F206-L210 HydrophobicContact CD1-CG 4.47Å; F206-L210 HydrophobicContact CE1-CD1 3.22Å; F206-L210 HydrophobicContact CE1-CG 4Å; F206-L210 HydrophobicContact CE2-CD1 4.44Å; F206-L210 HydrophobicContact CE2-CG 4.46Å; F206-L210 HydrophobicContact CZ-CD1 3.51Å; F206-L210 HydrophobicContact CZ-CG 3.96Å; F206-L210 WeakPolarHBondContact O-CB 3.49Å; F206-L210 PolarHBondContact O-N 2.9Å; L210-R212 PolarHBondContact O-N 2.81Å; L210-R212 VanDerWaalsContact O-N 3.09Å; L210-Y213 PolarHBondContact O-N 3.37Å; L210-L214 HydrophobicContact CD2-CD1 4.49Å; L210-L214 PolarHBondContact O-N 2.91Å; L210-Y237 HydrophobicContact CB-CE1 3.79Å; L210-Y237 HydrophobicContact CD1-CD1 4.18Å; L210-Y237 HydrophobicContact CD1-CE1 4.12Å
211G85.4Confident84.5Confident40 Ų4067.6 Ų67.641%0.41234%0.338SS..THydrogen-bonded Turntrans-61.5-15.7178.900000114.8R207 E208 F209 Y213R207-G211 PolarHBondContact O-N 2.86Å; E208-G211 PolarHBondContact O-N 2.86Å; F209-G211 VanDerWaalsContact C-N 3.25Å; F209-G211 PolarHBondContact O-N 3.04Å; G211-Y213 VanDerWaalsContact C-N 3.34Å
212R85.9Confident85.5Confident152 Ų15269 Ų6957%0.57435%0.345SS*.THydrogen-bonded Turntrans-73.4-26.4172.2-61.4176.9-176.7-175.3-2112.7F209 L210F209-R212 WeakPolarHBondContact O-CB 3.41Å; F209-R212 PolarHBondContact O-N 2.96Å; F209-R212 VanDerWaalsContact O-N 3.16Å; L210-R212 PolarHBondContact O-N 2.81Å; L210-R212 VanDerWaalsContact O-N 3.09Å
213Y87.4Confident86.3Confident56 Ų5668.2 Ų68.222%0.2234%0.335CS..THydrogen-bonded Turntrans-115.2-31.4-171.7-54.2-77.9000112.7E42 W79 F83 L87 F209 L210 G211E42-Y213 PolarHBondContact OE2-OH 3.22Å; W79-Y213 HydrophobicContact CH2-CD1 4.27Å; W79-Y213 AromaticContact CH2-CE1 3.77Å; W79-Y213 HydrophobicContact CH2-CE1 3.77Å; W79-Y213 HydrophobicContact CZ3-CE1 4.3Å; F83-Y213 AromaticContact CE1-CD1 3.97Å; F83-Y213 HydrophobicContact CE1-CD1 3.97Å; F83-Y213 HydrophobicContact CE1-CD2 4.17Å; F83-Y213 AromaticContact CE1-CE1 3.88Å; F83-Y213 HydrophobicContact CE1-CE1 3.88Å; F83-Y213 HydrophobicContact CE1-CE2 4.07Å; F83-Y213 HydrophobicContact CE1-CG 4.12Å; F83-Y213 AromaticContact CE1-CZ 3.93Å; F83-Y213 HydrophobicContact CZ-CD1 4.34Å; F83-Y213 AromaticContact CZ-CD2 3.7Å; F83-Y213 HydrophobicContact CZ-CD2 3.7Å; F83-Y213 HydrophobicContact CZ-CE1 4.28Å; F83-Y213 AromaticContact CZ-CE2 3.61Å; F83-Y213 HydrophobicContact CZ-CE2 3.61Å; F83-Y213 HydrophobicContact CZ-CG 4.07Å; F83-Y213 AromaticContact CZ-CZ 3.93Å; L87-Y213 HydrophobicContact CD1-CD1 4.44Å; L87-Y213 HydrophobicContact CD1-CG 4.19Å; L87-Y213 HydrophobicContact CD2-CG 4.35Å; F209-Y213 HydrophobicContact CD2-CE2 4.26Å; F209-Y213 AromaticContact CE2-CE2 3.81Å; F209-Y213 HydrophobicContact CE2-CE2 3.81Å; F209-Y213 AromaticContact CZ-CE2 3.96Å; F209-Y213 HydrophobicContact CZ-CE2 3.96Å; F209-Y213 WeakPolarHBondContact O-CD2 3.31Å; L210-Y213 PolarHBondContact O-N 3.37Å; G211-Y213 VanDerWaalsContact C-N 3.34Å
214L85.7Confident87.2Confident19 Ų1963.1 Ų63.110%0.09931%0.314CS..SBendtrans-118.7121.9-179.8-64179.7000110.2L87 K91 L210 A216L87-L214 HydrophobicContact CD2-CD1 4.29Å; L87-L214 HydrophobicContact CD2-CG 4.19Å; K91-L214 HydrophobicContact CB-CD2 4.3Å; L210-L214 HydrophobicContact CD2-CD1 4.49Å; L210-L214 PolarHBondContact O-N 2.91Å; L214-A216 PolarHBondContact O-N 2.81Å
215P83.1Confident87.8Confident92 Ų9266.2 Ų66.260%0.59734%0.337SS*.  trans-63.5135.3178.126.6-33.3000110.3Q217 M236P215-Q217 PolarHBondContact O-N 2.9Å; P215-M236 VanDerWaalsContact O-CE 3.3Å; P215-M236 WeakPolarHBondContact O-CE 3.47Å
216A82Confident88.5Confident53 Ų5362 Ų6244%0.43833%0.333SS..  trans-61.7132.1171.700000110.1L214 Q233L214-A216 PolarHBondContact O-N 2.81Å; A216-Q233 WeakPolarHBondContact CB-O 3.2Å
217Q88.7Confident89.2Confident116 Ų11662.7 Ų62.754%0.54234%0.34SS..  trans-122.390175.5-65.8-171.920.100108.7P215 Q233 G234 N269P215-Q217 PolarHBondContact O-N 2.9Å; Q217-Q233 PolarHBondContact N-O 2.96Å; Q217-G234 WeakPolarHBondContact O-CA 3.33Å; Q217-N269 PolarHBondContact O-ND2 2.95Å
218P92.8Very high90Very high67 Ų6762.2 Ų62.244%0.43534%0.343SS..  trans-63.1146.8179.7-16.829.5000111.7E231 H232 N269P218-E231 HydrophobicContact CB-CG 4.3Å; P218-E231 WeakPolarHBondContact CB-OE1 3.32Å; P218-H232 CarbonylContact C-O 3.55Å; P218-H232 WeakPolarHBondContact CA-O 3.22Å; P218-N269 PolarHBondContact O-ND2 2.86Å
219G95.5Very high90.5Very high12 Ų1258.7 Ų58.712%0.12433%0.328CS..EExtended strand (participates in β ladder)trans-159.9175.4-173.600000111.5E231 H232 N269G219-E231 CarbonylContact O-C 3.49Å; G219-E231 VanDerWaalsContact O-CA 3.28Å; G219-E231 WeakPolarHBondContact O-CA 3.24Å; G219-E231 VanDerWaalsContact O-CG 3.28Å; G219-E231 WeakPolarHBondContact O-CG 3.47Å; G219-H232 VanDerWaalsContact C-CD2 3.43Å; G219-H232 VanDerWaalsContact CA-CE1 3.47Å; G219-H232 WeakPolarHBondContact CA-CE1 3.44Å; G219-H232 WeakPolarHBondContact CA-NE2 3.39Å; G219-H232 PolarHBondContact N-CE1 3.3Å; G219-H232 PolarHBondContact N-O 2.9Å; G219-H232 PolarHBondContact O-CD2 3.16Å; G219-H232 PolarHBondContact O-N 3.47Å; G219-N269 WeakPolarHBondContact CA-O 3.49Å
220K97.5Very high91Very high100 Ų10059.6 Ų59.644%0.43534%0.339SS..EExtended strand (participates in β ladder)trans-82.4143.5-170.5-63.4177.9171.7-150.60111.6I222 E228 H232 N269 I270 L271K220-I222 HydrophobicContact CB-CD1 4.24Å; K220-I222 HydrophobicContact CB-CG1 4.02Å; K220-I222 HydrophobicContact CD-CD1 4.44Å; K220-E228 HydrophobicContact CB-CG 4.47Å; K220-E228 VanDerWaalsContact CD-OE2 3.26Å; K220-E228 WeakPolarHBondContact CD-OE2 3.1Å; K220-E228 WeakPolarHBondContact CE-OE2 3.13Å; K220-E228 IonicContact NZ-OE2 2.71Å; K220-E228 PolarHBondContact NZ-OE2 3.24Å; K220-H232 PolarHBondContact O-CD2 2.82Å; K220-H232 VanDerWaalsContact O-CD2 3.27Å; K220-N269 PolarHBondContact N-O 2.87Å; K220-I270 HydrophobicContact CB-CG1 4.47Å; K220-I270 WeakPolarHBondContact O-CA 3.36Å; K220-L271 PolarHBondContact O-N 2.82Å
221I97.6Very high91.6Very high0 Ų065.2 Ų65.20%037%0.365CS..EExtended strand (participates in β ladder)trans-100.4118.3165.4-56.7174.6000107.5I229 G230 H232 I248 L271 V273I221-I229 HydrophobicContact CG2-CD1 4.5Å; I221-I229 HydrophobicContact CG2-CG1 4.06Å; I221-I229 PolarHBondContact O-N 2.81Å; I221-G230 PolarHBondContact N-O 2.87Å; I221-H232 HydrophobicContact CD1-CB 4.02Å; I221-H232 HydrophobicContact CG1-CB 3.82Å; I221-I248 HydrophobicContact CB-CG2 4.38Å; I221-I248 HydrophobicContact CD1-CG2 3.64Å; I221-I248 HydrophobicContact CG2-CD1 4.3Å; I221-I248 HydrophobicContact CG2-CG2 4.26Å; I221-L271 WeakPolarHBondContact CA-O 3.49Å; I221-L271 HydrophobicContact CD1-CD2 4.34Å; I221-L271 HydrophobicContact CG1-CB 4.24Å; I221-L271 HydrophobicContact CG1-CD2 4.12Å; I221-V273 HydrophobicContact CG2-CB 4.43Å; I221-V273 HydrophobicContact CG2-CG1 3.82Å; I221-V273 HydrophobicContact CG2-CG2 3.66Å
222I96.9Very high92Very high31 Ų3163.4 Ų63.416%0.15935%0.346CS..EExtended strand (participates in β ladder)trans-121.3141-176.1-56.7-174.5000109.7K220 G226 D227 I270 L271 V272 V273K220-I222 HydrophobicContact CB-CD1 4.24Å; K220-I222 HydrophobicContact CB-CG1 4.02Å; K220-I222 HydrophobicContact CD-CD1 4.44Å; I222-G226 VanDerWaalsContact CG2-C 3.43Å; I222-D227 CarbonylContact C-O 3.59Å; I222-D227 VanDerWaalsContact CA-O 3.26Å; I222-D227 WeakPolarHBondContact CA-O 3.18Å; I222-I270 HydrophobicContact CB-CG2 3.89Å; I222-I270 HydrophobicContact CD1-CD1 3.93Å; I222-I270 HydrophobicContact CD1-CG1 4.21Å; I222-I270 HydrophobicContact CD1-CG2 3.71Å; I222-I270 HydrophobicContact CG1-CG2 3.72Å; I222-L271 PolarHBondContact N-O 2.84Å; I222-V272 VanDerWaalsContact O-CA 3.32Å; I222-V272 WeakPolarHBondContact O-CA 3.41Å; I222-V273 PolarHBondContact O-N 2.79Å
223T94.9Very high92.2Very high8 Ų859.1 Ų59.15%0.04933%0.333CS..EExtended strand (participates in β ladder)trans-71.3165173.467.60000111.3D225 G226 D227 I229 W259 V273T223-D225 PolarHBondContact O-N 3.43Å; T223-D225 VanDerWaalsContact O-N 3.13Å; T223-D225 PolarHBondContact OG1-N 2.81Å; T223-G226 PolarHBondContact O-N 3.46Å; T223-G226 VanDerWaalsContact O-N 3.09Å; T223-G226 PolarHBondContact OG1-N 3Å; T223-D227 HydrophobicContact CG2-CB 4.11Å; T223-D227 PolarHBondContact N-O 3.49Å; T223-D227 PolarHBondContact OG1-N 3.46Å; T223-I229 HydrophobicContact CG2-CD1 3.87Å; T223-I229 HydrophobicContact CG2-CG1 4.18Å; T223-I229 HydrophobicContact CG2-CG2 3.74Å; T223-W259 HydrophobicContact CG2-CH2 3.51Å; T223-W259 HydrophobicContact CG2-CZ2 4.42Å; T223-W259 HydrophobicContact CG2-CZ3 3.82Å; T223-V273 CarbonylContact C-O 3.53Å; T223-V273 WeakPolarHBondContact CA-O 3.42Å
224V93.2Very high92.3Very high42 Ų4256.5 Ų56.526%0.25532%0.322SS..THydrogen-bonded Turntrans-60.5-18.3170.8-68.50000113.7V262 V272 V273 A274 R281V224-V262 HydrophobicContact CG1-CG2 3.68Å; V224-V272 HydrophobicContact CG1-CG1 4.02Å; V224-V273 PolarHBondContact N-O 3.09Å; V224-V273 VanDerWaalsContact N-O 3.11Å; V224-A274 HydrophobicContact CG1-CB 3.85Å; V224-A274 HydrophobicContact CG2-CB 4.22Å; V224-R281 HydrophobicContact CG1-CB 4.29Å; V224-R281 HydrophobicContact CG1-CG 3.93Å
225D91.8Very high92.5Very high140 Ų14056 Ų5675%0.74932%0.32SS*.THydrogen-bonded Turntrans-93.1-6.5178.7-56-55.9000113.1T223T223-D225 PolarHBondContact O-N 3.43Å; T223-D225 VanDerWaalsContact O-N 3.13Å; T223-D225 PolarHBondContact OG1-N 2.81Å
226G92.9Very high92.6Very high52 Ų5252.5 Ų52.554%0.53630%0.296SS..SBendtrans100.64.717500000115.6I222 T223I222-G226 VanDerWaalsContact CG2-C 3.43Å; T223-G226 PolarHBondContact O-N 3.46Å; T223-G226 VanDerWaalsContact O-N 3.09Å; T223-G226 PolarHBondContact OG1-N 3Å
227D93.8Very high92.9Very high91 Ų9151.2 Ų51.249%0.48728%0.28SS..  trans-80.8129.3179.6-57.2-56.6000111.6I222 T223 I229I222-D227 CarbonylContact C-O 3.59Å; I222-D227 VanDerWaalsContact CA-O 3.26Å; I222-D227 WeakPolarHBondContact CA-O 3.18Å; T223-D227 HydrophobicContact CG2-CB 4.11Å; T223-D227 PolarHBondContact N-O 3.49Å; T223-D227 PolarHBondContact OG1-N 3.46Å; D227-I229 HydrophobicContact CB-CG2 4.27Å; D227-I229 PolarHBondContact O-N 2.84Å
228E94.9Very high92.9Very high113 Ų11346.2 Ų46.253%0.52826%0.256SS..EExtended strand (participates in β ladder)trans-78.3116.4171.6-173.7177148.900109.9K220K220-E228 HydrophobicContact CB-CG 4.47Å; K220-E228 VanDerWaalsContact CD-OE2 3.26Å; K220-E228 WeakPolarHBondContact CD-OE2 3.1Å; K220-E228 WeakPolarHBondContact CE-OE2 3.13Å; K220-E228 IonicContact NZ-OE2 2.71Å; K220-E228 PolarHBondContact NZ-OE2 3.24Å
229I94.1Very high92.8Very high41 Ų4144.9 Ų44.921%0.2125%0.247CC..EExtended strand (participates in β ladder)trans-118.82.1-174.562.3165.6000113.7I221 T223 D227 I248 T251 W259 V273I221-I229 HydrophobicContact CG2-CD1 4.5Å; I221-I229 HydrophobicContact CG2-CG1 4.06Å; I221-I229 PolarHBondContact O-N 2.81Å; T223-I229 HydrophobicContact CG2-CD1 3.87Å; T223-I229 HydrophobicContact CG2-CG1 4.18Å; T223-I229 HydrophobicContact CG2-CG2 3.74Å; D227-I229 HydrophobicContact CB-CG2 4.27Å; D227-I229 PolarHBondContact O-N 2.84Å; I229-I248 HydrophobicContact CD1-CB 4.36Å; I229-I248 HydrophobicContact CD1-CD1 3.56Å; I229-I248 HydrophobicContact CD1-CG1 4.48Å; I229-I248 HydrophobicContact CG1-CD1 4.39Å; I229-I248 HydrophobicContact CG1-CG2 4.36Å; I229-T251 HydrophobicContact CG2-CG2 4.36Å; I229-W259 HydrophobicContact CD1-CD2 4.12Å; I229-W259 HydrophobicContact CD1-CE3 4.28Å; I229-W259 HydrophobicContact CD1-CH2 4.05Å; I229-W259 HydrophobicContact CD1-CZ2 3.85Å; I229-W259 HydrophobicContact CD1-CZ3 4.23Å; I229-V273 HydrophobicContact CD1-CG2 3.75Å; I229-V273 HydrophobicContact CG1-CG2 4.41Å
230G94.5Very high92.6Very high26 Ų2645.1 Ų45.127%0.26825%0.245SC..EExtended strand (participates in β ladder)trans167-164.7173.700000113.9I221I221-G230 PolarHBondContact N-O 2.87Å
231E95.4Very high92.4Very high118 Ų11841.3 Ų41.355%0.55123%0.234SC*.EExtended strand (participates in β ladder)trans-128.7130.5-177.8-170.3-170.3130.100109.8P218 G219 Q233P218-E231 HydrophobicContact CB-CG 4.3Å; P218-E231 WeakPolarHBondContact CB-OE1 3.32Å; G219-E231 CarbonylContact O-C 3.49Å; G219-E231 VanDerWaalsContact O-CA 3.28Å; G219-E231 WeakPolarHBondContact O-CA 3.24Å; G219-E231 VanDerWaalsContact O-CG 3.28Å; G219-E231 WeakPolarHBondContact O-CG 3.47Å; E231-Q233 PolarHBondContact OE1-NE2 2.97Å
232H93.9Very high92.2Very high2 Ų243.6 Ų43.61%0.00925%0.245CC..EExtended strand (participates in β ladder)trans-93.9163169.769.772.4000109.9P218 G219 K220 I221 G234 L235 N269 L271P218-H232 CarbonylContact C-O 3.55Å; P218-H232 WeakPolarHBondContact CA-O 3.22Å; G219-H232 VanDerWaalsContact C-CD2 3.43Å; G219-H232 VanDerWaalsContact CA-CE1 3.47Å; G219-H232 WeakPolarHBondContact CA-CE1 3.44Å; G219-H232 WeakPolarHBondContact CA-NE2 3.39Å; G219-H232 PolarHBondContact N-CE1 3.3Å; G219-H232 PolarHBondContact N-O 2.9Å; G219-H232 PolarHBondContact O-CD2 3.16Å; G219-H232 PolarHBondContact O-N 3.47Å; K220-H232 PolarHBondContact O-CD2 2.82Å; K220-H232 VanDerWaalsContact O-CD2 3.27Å; I221-H232 HydrophobicContact CD1-CB 4.02Å; I221-H232 HydrophobicContact CG1-CB 3.82Å; H232-G234 PolarHBondContact ND1-N 2.92Å; H232-G234 VanDerWaalsContact ND1-N 3.14Å; H232-L235 WeakPolarHBondContact NE2-CD2 3.39Å; H232-N269 PolarHBondContact CE1-OD1 3.22Å; H232-N269 PolarHBondContact NE2-O 2.99Å; H232-L271 HydrophobicContact CB-CB 4.44Å; H232-L271 HydrophobicContact CB-CD2 4.12Å; H232-L271 VanDerWaalsContact CD2-CB 3.41Å; H232-L271 WeakPolarHBondContact CD2-CB 3.1Å
233Q89.7Confident91.9Very high63 Ų6349 Ų4929%0.29426%0.263SS..SBendtrans-103.8-0.9-174-64-77.2-58.800113.3R207 A216 Q217 E231R207-Q233 VanDerWaalsContact NH2-OE1 3.12Å; A216-Q233 WeakPolarHBondContact CB-O 3.2Å; Q217-Q233 PolarHBondContact N-O 2.96Å; E231-Q233 PolarHBondContact OE1-NE2 2.97Å
234G90Very high91.5Very high0 Ų056.8 Ų56.80%030%0.297CS..  trans159.6131.6173.500000109.7Q217 H232 M236 Y237 H238Q217-G234 WeakPolarHBondContact O-CA 3.33Å; H232-G234 PolarHBondContact ND1-N 2.92Å; H232-G234 VanDerWaalsContact ND1-N 3.14Å; G234-M236 PolarHBondContact O-N 2.81Å; G234-Y237 PolarHBondContact O-N 3.39Å; G234-H238 PolarHBondContact O-CD2 2.74Å; G234-H238 VanDerWaalsContact O-CD2 3.26Å
235L89.4Confident91.1Very high9 Ų958.1 Ų58.15%0.04732%0.319CS..G310 helixtrans-59.8-27.1-179.4-70.9179.6000113.3H232 Y237 H238 K264 D265 V266 N269 L271H232-L235 WeakPolarHBondContact NE2-CD2 3.39Å; L235-Y237 PolarHBondContact O-N 3.41Å; L235-H238 PolarHBondContact O-N 3.43Å; L235-K264 HydrophobicContact CB-CD 4.46Å; L235-K264 HydrophobicContact CD2-CB 4.48Å; L235-K264 HydrophobicContact CD2-CG 4.47Å; L235-K264 WeakPolarHBondContact O-CE 3.23Å; L235-K264 PolarHBondContact O-NZ 3.41Å; L235-D265 WeakPolarHBondContact CD1-O 3.31Å; L235-V266 HydrophobicContact CD1-CG2 4.44Å; L235-N269 WeakPolarHBondContact CG-OD1 3.47Å; L235-L271 HydrophobicContact CD2-CB 3.84Å; L235-L271 HydrophobicContact CD2-CD1 3.95Å
236M86.1Confident91Very high19 Ų1952 Ų529%0.09429%0.286CS..G310 helixtrans-64.4-23.2176.763.3-79.7-163.900113.4Y90 P215 G234 H238Y90-M236 HydrophobicContact CD1-CB 3.9Å; Y90-M236 WeakPolarHBondContact CD1-O 3.29Å; Y90-M236 VanDerWaalsContact CE1-O 3.22Å; Y90-M236 WeakPolarHBondContact CE1-O 3.13Å; Y90-M236 WeakPolarHBondContact O-CB 3.28Å; P215-M236 VanDerWaalsContact O-CE 3.3Å; P215-M236 WeakPolarHBondContact O-CE 3.47Å; G234-M236 PolarHBondContact O-N 2.81Å; M236-H238 VanDerWaalsContact C-N 3.28Å; M236-H238 PolarHBondContact O-N 3.42Å
237Y86.6Confident90.7Very high25 Ų2553.5 Ų53.510%0.09830%0.302CS..G310 helixtrans-85.2-1.4179.7-56.4-45.8000114.1R207 L210 G234 L235 Q242R207-Y237 HydrophobicContact CB-CD1 4.11Å; R207-Y237 HydrophobicContact CB-CE1 4.28Å; R207-Y237 HydrophobicContact CB-CG 4.43Å; R207-Y237 HydrophobicContact CG-CD1 3.88Å; R207-Y237 HydrophobicContact CG-CD2 3.94Å; R207-Y237 HydrophobicContact CG-CE1 3.83Å; R207-Y237 HydrophobicContact CG-CE2 3.88Å; R207-Y237 HydrophobicContact CG-CG 3.93Å; L210-Y237 HydrophobicContact CB-CE1 3.79Å; L210-Y237 HydrophobicContact CD1-CD1 4.18Å; L210-Y237 HydrophobicContact CD1-CE1 4.12Å; G234-Y237 PolarHBondContact O-N 3.39Å; L235-Y237 PolarHBondContact O-N 3.41Å; Y237-Q242 PolarHBondContact O-OE1 2.82Å
238H89Confident90.4Very high11 Ų1150.4 Ų50.45%0.05129%0.285CS..  trans-117139.8-176.3-62.9-67.1000109.8G234 L235 M236 Q242 V261 K264 L271G234-H238 PolarHBondContact O-CD2 2.74Å; G234-H238 VanDerWaalsContact O-CD2 3.26Å; L235-H238 PolarHBondContact O-N 3.43Å; M236-H238 VanDerWaalsContact C-N 3.28Å; M236-H238 PolarHBondContact O-N 3.42Å; H238-Q242 VanDerWaalsContact CA-OE1 3.29Å; H238-Q242 PolarHBondContact ND1-NE2 3.08Å; H238-V261 HydrophobicContact CB-CG2 4.28Å; H238-K264 WeakPolarHBondContact O-CE 3.39Å; H238-K264 PolarHBondContact O-NZ 2.92Å; H238-L271 HydrophobicContact CB-CD1 3.68Å; H238-L271 HydrophobicContact CB-CD2 4.24Å
239T90.8Very high89.8Confident40 Ų4047.7 Ų47.725%0.24529%0.288CS..  trans-119.8150.8173.2-57.40000109T95 G241 Q242 V261 T341T95-T239 HydrophobicContact CG2-CG2 4.1Å; T95-T239 PolarHBondContact OG1-OG1 2.74Å; T239-G241 PolarHBondContact O-N 3.16Å; T239-Q242 WeakPolarHBondContact O-CB 3.36Å; T239-Q242 PolarHBondContact O-N 2.95Å; T239-V261 WeakPolarHBondContact O-CB 3.42Å; T239-T341 HydrophobicContact CG2-CG2 3.76Å
240L92.3Very high89Confident16 Ų1649.3 Ų49.38%0.08431%0.314CS..THydrogen-bonded Turntrans-58.2139.3176.3-56.6-173.4000110.1Q242 V261 K264 A339L240-Q242 PolarHBondContact O-N 3.02Å; L240-V261 HydrophobicContact CD2-CG1 3.92Å; L240-K264 HydrophobicContact CD2-CG 4.45Å; L240-A339 HydrophobicContact CB-CB 4.45Å
241G93Very high88Confident20 Ų2050.3 Ų50.321%0.20632%0.315CS..THydrogen-bonded Turntrans76.12.9-173.200000114.6T239 R243 Y260 V261T239-G241 PolarHBondContact O-N 3.16Å; G241-R243 PolarHBondContact O-N 2.95Å; G241-Y260 WeakPolarHBondContact O-CD1 3.47Å; G241-V261 PolarHBondContact N-O 2.96Å
242Q93Very high86.8Confident49 Ų4955.1 Ų55.123%0.22933%0.334CS..  trans-68.1126172.6179.4173.2-30.500110.7Y237 H238 T239 L240 K244 Y260 V261Y237-Q242 PolarHBondContact O-OE1 2.82Å; H238-Q242 VanDerWaalsContact CA-OE1 3.29Å; H238-Q242 PolarHBondContact ND1-NE2 3.08Å; T239-Q242 WeakPolarHBondContact O-CB 3.36Å; T239-Q242 PolarHBondContact O-N 2.95Å; L240-Q242 PolarHBondContact O-N 3.02Å; Q242-K244 WeakPolarHBondContact CG-O 3.25Å; Q242-K244 PolarHBondContact NE2-O 3.03Å; Q242-Y260 WeakPolarHBondContact O-CA 3.19Å; Q242-V261 HydrophobicContact CB-CG2 4.17Å; Q242-V261 PolarHBondContact O-N 3.16Å
243R90.4Very high85.8Confident143 Ų14364 Ų6454%0.5438%0.376SS..  trans-101.1-41175.2173.1-177.8167.3-173.62.7113.4G241 P258 W259 Y260G241-R243 PolarHBondContact O-N 2.95Å; R243-P258 HydrophobicContact CG-CB 4.07Å; R243-P258 VanDerWaalsContact NE-CB 3.3Å; R243-W259 WeakPolarHBondContact CA-O 3.39Å; R243-Y260 HydrophobicContact CB-CD1 3.97Å; R243-Y260 HydrophobicContact CB-CE1 3.75Å; R243-Y260 HydrophobicContact CG-CE1 4.41Å
244K87.2Confident85Confident172 Ų17262.4 Ų62.475%0.74838%0.377SS*.THydrogen-bonded Turntrans-86151.3-172.2-67.2-177.4179.5178.60111Q242Q242-K244 WeakPolarHBondContact CG-O 3.25Å; Q242-K244 PolarHBondContact NE2-O 3.03Å
245G85.4Confident84.5Confident70 Ų7066 Ų6672%0.72240%0.399SS*.THydrogen-bonded Turntrans77.615.2173.700000115.4
246L88.8Confident84.2Confident11 Ų1175.6 Ų75.66%0.05844%0.443CS..  trans-79.6-24.2177.4-56.7-178.6000113.4I248 W259 V261 L271 V273L246-I248 HydrophobicContact CB-CD1 4.19Å; L246-I248 HydrophobicContact CB-CG1 3.89Å; L246-I248 HydrophobicContact CD1-CD1 4.27Å; L246-I248 PolarHBondContact O-N 2.96Å; L246-W259 HydrophobicContact CD1-CB 4.05Å; L246-V261 HydrophobicContact CD1-CG2 4.39Å; L246-V261 HydrophobicContact CD2-CG2 3.6Å; L246-L271 HydrophobicContact CD2-CD2 4.18Å; L246-V273 HydrophobicContact CD1-CG1 4.32Å
247G86.9Confident84.4Confident85 Ų8579.7 Ų79.788%0.87646%0.462SS*.  trans74.12.1175.600000116.3
248I86.5Confident84.6Confident25 Ų2580.4 Ų80.413%0.12847%0.47CS..  trans-93.2-8.4-17354174.3000115.3I221 I229 L246 W259 V273I221-I248 HydrophobicContact CB-CG2 4.38Å; I221-I248 HydrophobicContact CD1-CG2 3.64Å; I221-I248 HydrophobicContact CG2-CD1 4.3Å; I221-I248 HydrophobicContact CG2-CG2 4.26Å; I229-I248 HydrophobicContact CD1-CB 4.36Å; I229-I248 HydrophobicContact CD1-CD1 3.56Å; I229-I248 HydrophobicContact CD1-CG1 4.48Å; I229-I248 HydrophobicContact CG1-CD1 4.39Å; I229-I248 HydrophobicContact CG1-CG2 4.36Å; L246-I248 HydrophobicContact CB-CD1 4.19Å; L246-I248 HydrophobicContact CB-CG1 3.89Å; L246-I248 HydrophobicContact CD1-CD1 4.27Å; L246-I248 PolarHBondContact O-N 2.96Å; I248-W259 HydrophobicContact CD1-CB 3.73Å; I248-W259 HydrophobicContact CD1-CD2 4.02Å; I248-W259 HydrophobicContact CD1-CG 3.54Å; I248-W259 HydrophobicContact CG1-CG 4.32Å; I248-V273 HydrophobicContact CD1-CG2 4.14Å
249G82.5Confident84.9Confident57 Ų5781 Ų8159%0.58847%0.472SS*.  trans58.8-159.2-18000000113.8W259G249-W259 PolarHBondContact O-NE1 3.37Å
250G77.5Confident85.1Confident74 Ų7480.4 Ų80.476%0.76347%0.465SS*.  trans-93.2150.1166.200000110.4
251T74.1Confident85.3Confident48 Ų4879.7 Ų79.729%0.29446%0.461SS..  trans-103.2152177.258.80000110.3I229 E253 G254 W259I229-T251 HydrophobicContact CG2-CG2 4.36Å; T251-E253 VanDerWaalsContact C-N 3.27Å; T251-E253 PolarHBondContact O-N 3.38Å; T251-G254 PolarHBondContact O-N 3.26Å; T251-G254 WeakPolarHBondContact OG1-CA 3.48Å; T251-G254 PolarHBondContact OG1-N 3.27Å; T251-G254 VanDerWaalsContact OG1-N 3.15Å; T251-W259 HydrophobicContact CG2-CZ2 4.05Å
252K70.8Confident85.4Confident218 Ų21878.8 Ų78.895%0.94845%0.452SS*.SBendtrans-65.6-30.9179.8-73.9-176.3178.5177.50113.3
253E72.9Confident85.4Confident189 Ų18979.4 Ų79.488%0.88346%0.457SS*.SBendtrans-96.6-10.6-176.4-62.3178.8-179.100112.3T251T251-E253 VanDerWaalsContact C-N 3.27Å; T251-E253 PolarHBondContact O-N 3.38Å
254G72.3Confident85.6Confident30 Ų3074 Ų7431%0.30944%0.437SS..SBendtrans-78171.1176.700000112.9T251T251-G254 PolarHBondContact O-N 3.26Å; T251-G254 WeakPolarHBondContact OG1-CA 3.48Å; T251-G254 PolarHBondContact OG1-N 3.27Å; T251-G254 VanDerWaalsContact OG1-N 3.15Å
255T79.6Confident85.8Confident76 Ų7668.4 Ų68.447%0.46642%0.415SS..  trans-68168.8165.865.90000110.8E257 Q275T255-E257 PolarHBondContact O-N 2.87Å; T255-E257 WeakPolarHBondContact OG1-CB 3.46Å; T255-E257 PolarHBondContact OG1-N 2.97Å; T255-Q275 PolarHBondContact O-NE2 3.45Å; T255-Q275 WeakPolarHBondContact OG1-CB 3.23Å; T255-Q275 PolarHBondContact OG1-NE2 3.06Å; T255-Q275 PolarHBondContact OG1-OE1 3.4Å; T255-Q275 VanDerWaalsContact OG1-OE1 3.06Å
256E83.5Confident86Confident210 Ų21068.7 Ų68.798%0.98140%0.403SS*.SBendtrans-73.4-2.3169.4-64-169.5166.100112.8
257E89.2Confident86.1Confident105 Ų10576.7 Ų76.749%0.49144%0.44SS..SBendtrans-75.7148.2-178.8-62.1-162.597.100112.3T255 Q275T255-E257 PolarHBondContact O-N 2.87Å; T255-E257 WeakPolarHBondContact OG1-CB 3.46Å; T255-E257 PolarHBondContact OG1-N 2.97Å; E257-Q275 HydrophobicContact CB-CB 4.17Å; E257-Q275 PolarHBondContact O-NE2 3.34Å
258P91.7Very high86.4Confident40 Ų4077.4 Ų77.426%0.2642%0.424SS..PPolyproline II helixtrans-70.7151.3178.624.3-27.3000112.2R243 Y260 Q275 G276R243-P258 HydrophobicContact CG-CB 4.07Å; R243-P258 VanDerWaalsContact NE-CB 3.3Å; P258-Y260 HydrophobicContact CB-CE2 4.24Å; P258-Y260 HydrophobicContact CG-CE2 3.76Å; P258-Y260 VanDerWaalsContact O-CD2 3.23Å; P258-Y260 WeakPolarHBondContact O-CD2 3.45Å; P258-Y260 WeakPolarHBondContact O-CE2 3.35Å; P258-Q275 WeakPolarHBondContact O-CA 3.46Å; P258-G276 PolarHBondContact O-N 2.84Å; P258-G276 VanDerWaalsContact O-N 3.08Å
259W94.4Very high86.8Confident24 Ų2478 Ų789%0.09143%0.427CS..EExtended strand (participates in β ladder)trans-74.8142172.1-67101.6000112.5T223 I229 R243 L246 I248 G249 T251 V273 A274 Q275T223-W259 HydrophobicContact CG2-CH2 3.51Å; T223-W259 HydrophobicContact CG2-CZ2 4.42Å; T223-W259 HydrophobicContact CG2-CZ3 3.82Å; I229-W259 HydrophobicContact CD1-CD2 4.12Å; I229-W259 HydrophobicContact CD1-CE3 4.28Å; I229-W259 HydrophobicContact CD1-CH2 4.05Å; I229-W259 HydrophobicContact CD1-CZ2 3.85Å; I229-W259 HydrophobicContact CD1-CZ3 4.23Å; R243-W259 WeakPolarHBondContact CA-O 3.39Å; L246-W259 HydrophobicContact CD1-CB 4.05Å; I248-W259 HydrophobicContact CD1-CB 3.73Å; I248-W259 HydrophobicContact CD1-CD2 4.02Å; I248-W259 HydrophobicContact CD1-CG 3.54Å; I248-W259 HydrophobicContact CG1-CG 4.32Å; G249-W259 PolarHBondContact O-NE1 3.37Å; T251-W259 HydrophobicContact CG2-CZ2 4.05Å; W259-V273 HydrophobicContact CD2-CG2 4.3Å; W259-V273 HydrophobicContact CE3-CB 3.9Å; W259-V273 HydrophobicContact CE3-CG2 3.58Å; W259-V273 HydrophobicContact CZ3-CG2 3.93Å; W259-A274 CarbonylContact C-O 3.47Å; W259-A274 WeakPolarHBondContact CA-O 3.36Å; W259-A274 VanDerWaalsContact CE3-C 3.42Å; W259-Q275 HydrophobicContact CD2-CG 3.49Å; W259-Q275 VanDerWaalsContact CD2-CG 3.49Å; W259-Q275 HydrophobicContact CE3-CG 3.56Å; W259-Q275 HydrophobicContact CG-CG 4.19Å; W259-Q275 HydrophobicContact CH2-CG 3.66Å; W259-Q275 HydrophobicContact CZ2-CG 3.59Å; W259-Q275 HydrophobicContact CZ3-CG 3.66Å
260Y96Very high87.5Confident27 Ų2777 Ų7711%0.10641%0.408CS..EExtended strand (participates in β ladder)trans-129.6143.1173.5-67.2-95000109.9G241 Q242 R243 P258 V262 V273 A274 H277G241-Y260 WeakPolarHBondContact O-CD1 3.47Å; Q242-Y260 WeakPolarHBondContact O-CA 3.19Å; R243-Y260 HydrophobicContact CB-CD1 3.97Å; R243-Y260 HydrophobicContact CB-CE1 3.75Å; R243-Y260 HydrophobicContact CG-CE1 4.41Å; P258-Y260 HydrophobicContact CB-CE2 4.24Å; P258-Y260 HydrophobicContact CG-CE2 3.76Å; P258-Y260 VanDerWaalsContact O-CD2 3.23Å; P258-Y260 WeakPolarHBondContact O-CD2 3.45Å; P258-Y260 WeakPolarHBondContact O-CE2 3.35Å; Y260-V262 PolarHBondContact O-N 3.06Å; Y260-V273 CarbonylContact O-C 3.52Å; Y260-V273 WeakPolarHBondContact O-CA 3.4Å; Y260-V273 WeakPolarHBondContact O-CB 3.38Å; Y260-A274 PolarHBondContact N-O 2.93Å; Y260-A274 PolarHBondContact O-N 2.84Å; Y260-H277 HydrophobicContact CE1-CB 4.31Å; Y260-H277 AromaticContact CE1-ND1 3.61Å; Y260-H277 HydrophobicContact CE2-CB 3.98Å; Y260-H277 AromaticContact CZ-ND1 3.98Å
261V95.6Very high88.4Confident0 Ų073.4 Ų73.40%037%0.372CS..EExtended strand (participates in β ladder)trans-67.4119.1166.9-179.50000108.9H238 T239 L240 G241 Q242 L246 L271 V273 L282H238-V261 HydrophobicContact CB-CG2 4.28Å; T239-V261 WeakPolarHBondContact O-CB 3.42Å; L240-V261 HydrophobicContact CD2-CG1 3.92Å; G241-V261 PolarHBondContact N-O 2.96Å; Q242-V261 HydrophobicContact CB-CG2 4.17Å; Q242-V261 PolarHBondContact O-N 3.16Å; L246-V261 HydrophobicContact CD1-CG2 4.39Å; L246-V261 HydrophobicContact CD2-CG2 3.6Å; V261-L271 HydrophobicContact CB-CD1 4.43Å; V261-L271 HydrophobicContact CG1-CD1 3.52Å; V261-L271 HydrophobicContact CG1-CG 4.28Å; V261-L271 HydrophobicContact CG2-CD1 4.03Å; V261-L271 HydrophobicContact CG2-CD2 4.05Å; V261-L271 HydrophobicContact CG2-CG 4.24Å; V261-V273 HydrophobicContact CG2-CG1 4.4Å; V261-L282 WeakPolarHBondContact O-CD1 3.32Å
262V95.1Very high89.5Confident1 Ų172.6 Ų72.61%0.00637%0.366CS..EExtended strand (participates in β ladder)trans-110.9-21.9-179.5-61.50000113.2V224 Y260 V272 A274 R281 L282 R363V224-V262 HydrophobicContact CG1-CG2 3.68Å; Y260-V262 PolarHBondContact O-N 3.06Å; V262-V272 HydrophobicContact CG2-CB 4.34Å; V262-V272 HydrophobicContact CG2-CG1 3.87Å; V262-V272 PolarHBondContact N-O 3.43Å; V262-A274 HydrophobicContact CG1-CB 3.59Å; V262-A274 HydrophobicContact CG2-CB 4.13Å; V262-R281 HydrophobicContact CB-CB 4.06Å; V262-R281 HydrophobicContact CG1-CB 4.46Å; V262-R281 HydrophobicContact CG2-CB 4.13Å; V262-L282 HydrophobicContact CG1-CB 4.01Å; V262-L282 HydrophobicContact CG1-CD1 4.31Å; V262-R363 PolarHBondContact O-NH2 3.16Å
263D94.1Very high90.7Very high62 Ų6262.2 Ų62.233%0.33232%0.321SS..EExtended strand (participates in β ladder)trans-156168.8174-134.3-38.2000112.5V272 R363D263-V272 HydrophobicContact CB-CB 3.82Å; D263-V272 HydrophobicContact CB-CG1 4.46Å; D263-V272 HydrophobicContact CB-CG2 4.13Å; D263-V272 PolarHBondContact N-O 3.3Å; D263-V272 PolarHBondContact O-N 2.99Å; D263-R363 IonicContact OD2-CZ 2.61Å; D263-R363 IonicContact OD2-NH2 3.79Å; D263-R363 PolarHBondContact OD2-NH2 2.94Å
264K92.9Very high91.7Very high30 Ų3053.2 Ų53.213%0.1328%0.279CS..EExtended strand (participates in β ladder)trans-134.5122.5170.8-60.3-178.3-171.8-175.90109.5G93 L235 H238 L240 V266 L271G93-K264 PolarHBondContact O-NZ 3.39Å; L235-K264 HydrophobicContact CB-CD 4.46Å; L235-K264 HydrophobicContact CD2-CB 4.48Å; L235-K264 HydrophobicContact CD2-CG 4.47Å; L235-K264 WeakPolarHBondContact O-CE 3.23Å; L235-K264 PolarHBondContact O-NZ 3.41Å; H238-K264 WeakPolarHBondContact O-CE 3.39Å; H238-K264 PolarHBondContact O-NZ 2.92Å; L240-K264 HydrophobicContact CD2-CG 4.45Å; K264-V266 PolarHBondContact O-N 2.92Å; K264-L271 HydrophobicContact CG-CD1 4.15Å
265D93Very high92.7Very high54 Ų5453 Ų5329%0.28927%0.27SS..EExtended strand (participates in β ladder)trans-94.496167.5-177.7-16.8000108.1L235 E267 N268 N269 I270L235-D265 WeakPolarHBondContact CD1-O 3.31Å; D265-E267 VanDerWaalsContact C-N 3.32Å; D265-E267 PolarHBondContact OD1-N 3.3Å; D265-N268 PolarHBondContact OD1-N 2.82Å; D265-N268 PolarHBondContact OD1-ND2 3.49Å; D265-N268 WeakPolarHBondContact OD2-CB 3.02Å; D265-N268 PolarHBondContact OD2-ND2 2.98Å; D265-N269 WeakPolarHBondContact O-CA 3.47Å; D265-N269 PolarHBondContact O-N 2.89Å; D265-I270 HydrophobicContact CB-CB 4.13Å; D265-I270 PolarHBondContact N-O 2.99Å; D265-I270 PolarHBondContact O-N 2.8Å
266V89.2Confident93.3Very high77 Ų7749.5 Ų49.547%0.46725%0.249SC..THydrogen-bonded Turntrans-69.2-33.2-178-179.50000111.4L235 K264L235-V266 HydrophobicContact CD1-CG2 4.44Å; K264-V266 PolarHBondContact O-N 2.92Å
267E90.1Very high93.6Very high179 Ų17943.7 Ų43.784%0.83622%0.222SC*.THydrogen-bonded Turntrans-66.5-43.7-178.9-176175.9-174.700111D265D265-E267 VanDerWaalsContact C-N 3.32Å; D265-E267 PolarHBondContact OD1-N 3.3Å
268N94.4Very high93.6Very high100 Ų10046.3 Ų46.354%0.53523%0.234SC..THydrogen-bonded Turntrans-960.6-178.8-61.6-67000114.1D265 I270D265-N268 PolarHBondContact OD1-N 2.82Å; D265-N268 PolarHBondContact OD1-ND2 3.49Å; D265-N268 WeakPolarHBondContact OD2-CB 3.02Å; D265-N268 PolarHBondContact OD2-ND2 2.98Å; N268-I270 HydrophobicContact CB-CD1 3.67Å; N268-I270 HydrophobicContact CB-CG1 4.09Å
269N94.3Very high93.7Very high37 Ų3746.8 Ų46.820%0.19823%0.233CC..THydrogen-bonded Turntrans53.751.3-175.1-165.438.7000112.7Q217 P218 G219 K220 H232 L235 D265Q217-N269 PolarHBondContact O-ND2 2.95Å; P218-N269 PolarHBondContact O-ND2 2.86Å; G219-N269 WeakPolarHBondContact CA-O 3.49Å; K220-N269 PolarHBondContact N-O 2.87Å; H232-N269 PolarHBondContact CE1-OD1 3.22Å; H232-N269 PolarHBondContact NE2-O 2.99Å; L235-N269 WeakPolarHBondContact CG-OD1 3.47Å; D265-N269 WeakPolarHBondContact O-CA 3.47Å; D265-N269 PolarHBondContact O-N 2.89Å
270I96.6Very high93.7Very high35 Ų3548.1 Ų48.118%0.17924%0.244CC..EExtended strand (participates in β ladder)trans-119.3131.7-178.9-63164.3000110.3K220 I222 D265 N268 V272K220-I270 HydrophobicContact CB-CG1 4.47Å; K220-I270 WeakPolarHBondContact O-CA 3.36Å; I222-I270 HydrophobicContact CB-CG2 3.89Å; I222-I270 HydrophobicContact CD1-CD1 3.93Å; I222-I270 HydrophobicContact CD1-CG1 4.21Å; I222-I270 HydrophobicContact CD1-CG2 3.71Å; I222-I270 HydrophobicContact CG1-CG2 3.72Å; D265-I270 HydrophobicContact CB-CB 4.13Å; D265-I270 PolarHBondContact N-O 2.99Å; D265-I270 PolarHBondContact O-N 2.8Å; N268-I270 HydrophobicContact CB-CD1 3.67Å; N268-I270 HydrophobicContact CB-CG1 4.09Å; I270-V272 HydrophobicContact CG2-CG2 4.28Å
271L96.5Very high93.6Very high0 Ų053.1 Ų53.10%026%0.263CS..EExtended strand (participates in β ladder)trans-95.3120171.2-171.871000109.4K220 I221 I222 H232 L235 H238 L246 V261 K264 V273K220-L271 PolarHBondContact O-N 2.82Å; I221-L271 WeakPolarHBondContact CA-O 3.49Å; I221-L271 HydrophobicContact CD1-CD2 4.34Å; I221-L271 HydrophobicContact CG1-CB 4.24Å; I221-L271 HydrophobicContact CG1-CD2 4.12Å; I222-L271 PolarHBondContact N-O 2.84Å; H232-L271 HydrophobicContact CB-CB 4.44Å; H232-L271 HydrophobicContact CB-CD2 4.12Å; H232-L271 VanDerWaalsContact CD2-CB 3.41Å; H232-L271 WeakPolarHBondContact CD2-CB 3.1Å; L235-L271 HydrophobicContact CD2-CB 3.84Å; L235-L271 HydrophobicContact CD2-CD1 3.95Å; H238-L271 HydrophobicContact CB-CD1 3.68Å; H238-L271 HydrophobicContact CB-CD2 4.24Å; L246-L271 HydrophobicContact CD2-CD2 4.18Å; V261-L271 HydrophobicContact CB-CD1 4.43Å; V261-L271 HydrophobicContact CG1-CD1 3.52Å; V261-L271 HydrophobicContact CG1-CG 4.28Å; V261-L271 HydrophobicContact CG2-CD1 4.03Å; V261-L271 HydrophobicContact CG2-CD2 4.05Å; V261-L271 HydrophobicContact CG2-CG 4.24Å; K264-L271 HydrophobicContact CG-CD1 4.15Å; L271-V273 HydrophobicContact CD2-CG1 4.47Å; L271-V273 HydrophobicContact CG-CG1 4.4Å
272V96.6Very high93.6Very high30 Ų3053.1 Ų53.118%0.18226%0.263CS..EExtended strand (participates in β ladder)trans-96.9129.4-179.1-171.60000110I222 V224 V262 D263 I270I222-V272 VanDerWaalsContact O-CA 3.32Å; I222-V272 WeakPolarHBondContact O-CA 3.41Å; V224-V272 HydrophobicContact CG1-CG1 4.02Å; V262-V272 HydrophobicContact CG2-CB 4.34Å; V262-V272 HydrophobicContact CG2-CG1 3.87Å; V262-V272 PolarHBondContact N-O 3.43Å; D263-V272 HydrophobicContact CB-CB 3.82Å; D263-V272 HydrophobicContact CB-CG1 4.46Å; D263-V272 HydrophobicContact CB-CG2 4.13Å; D263-V272 PolarHBondContact N-O 3.3Å; D263-V272 PolarHBondContact O-N 2.99Å; I270-V272 HydrophobicContact CG2-CG2 4.28Å
273V96.6Very high93.6Very high0 Ų054.7 Ų54.70%027%0.271CS..EExtended strand (participates in β ladder)trans-127.3151.7-177.8-620000112.7I221 I222 T223 V224 I229 L246 I248 W259 Y260 V261 L271I221-V273 HydrophobicContact CG2-CB 4.43Å; I221-V273 HydrophobicContact CG2-CG1 3.82Å; I221-V273 HydrophobicContact CG2-CG2 3.66Å; I222-V273 PolarHBondContact O-N 2.79Å; T223-V273 CarbonylContact C-O 3.53Å; T223-V273 WeakPolarHBondContact CA-O 3.42Å; V224-V273 PolarHBondContact N-O 3.09Å; V224-V273 VanDerWaalsContact N-O 3.11Å; I229-V273 HydrophobicContact CD1-CG2 3.75Å; I229-V273 HydrophobicContact CG1-CG2 4.41Å; L246-V273 HydrophobicContact CD1-CG1 4.32Å; I248-V273 HydrophobicContact CD1-CG2 4.14Å; W259-V273 HydrophobicContact CD2-CG2 4.3Å; W259-V273 HydrophobicContact CE3-CB 3.9Å; W259-V273 HydrophobicContact CE3-CG2 3.58Å; W259-V273 HydrophobicContact CZ3-CG2 3.93Å; Y260-V273 CarbonylContact O-C 3.52Å; Y260-V273 WeakPolarHBondContact O-CA 3.4Å; Y260-V273 WeakPolarHBondContact O-CB 3.38Å; V261-V273 HydrophobicContact CG2-CG1 4.4Å; L271-V273 HydrophobicContact CD2-CG1 4.47Å; L271-V273 HydrophobicContact CG-CG1 4.4Å
274A94.8Very high93.8Very high0 Ų051.8 Ų51.80%026%0.255CS..EExtended strand (participates in β ladder)trans-138.1157.7172.400000110.5V224 W259 Y260 V262 H279V224-A274 HydrophobicContact CG1-CB 3.85Å; V224-A274 HydrophobicContact CG2-CB 4.22Å; W259-A274 CarbonylContact C-O 3.47Å; W259-A274 WeakPolarHBondContact CA-O 3.36Å; W259-A274 VanDerWaalsContact CE3-C 3.42Å; Y260-A274 PolarHBondContact N-O 2.93Å; Y260-A274 PolarHBondContact O-N 2.84Å; V262-A274 HydrophobicContact CG1-CB 3.59Å; V262-A274 HydrophobicContact CG2-CB 4.13Å; A274-H279 HydrophobicContact CB-CB 4.12Å
275Q93.1Very high94.1Very high26 Ų2652.6 Ų52.612%0.12126%0.263CS..EExtended strand (participates in β ladder)trans-89142.2173.3-64.5-176.2-6800110.9T255 E257 P258 W259 H279T255-Q275 PolarHBondContact O-NE2 3.45Å; T255-Q275 WeakPolarHBondContact OG1-CB 3.23Å; T255-Q275 PolarHBondContact OG1-NE2 3.06Å; T255-Q275 PolarHBondContact OG1-OE1 3.4Å; T255-Q275 VanDerWaalsContact OG1-OE1 3.06Å; E257-Q275 HydrophobicContact CB-CB 4.17Å; E257-Q275 PolarHBondContact O-NE2 3.34Å; P258-Q275 WeakPolarHBondContact O-CA 3.46Å; W259-Q275 HydrophobicContact CD2-CG 3.49Å; W259-Q275 VanDerWaalsContact CD2-CG 3.49Å; W259-Q275 HydrophobicContact CE3-CG 3.56Å; W259-Q275 HydrophobicContact CG-CG 4.19Å; W259-Q275 HydrophobicContact CH2-CG 3.66Å; W259-Q275 HydrophobicContact CZ2-CG 3.59Å; W259-Q275 HydrophobicContact CZ3-CG 3.66Å; Q275-H279 PolarHBondContact O-CD2 2.85Å
276G91.6Very high94.3Very high2 Ų250 Ų502%0.02125%0.249CC..SBendtrans94.6135.5178.700000113.4P258 E278 H279P258-G276 PolarHBondContact O-N 2.84Å; P258-G276 VanDerWaalsContact O-N 3.08Å; G276-E278 VanDerWaalsContact C-N 3.27Å; G276-E278 PolarHBondContact O-N 3.29Å; G276-H279 WeakPolarHBondContact O-CB 3.38Å; G276-H279 PolarHBondContact O-N 2.92Å
277H89.3Confident94.8Very high89 Ų8946.4 Ų46.441%0.41223%0.227SC..THydrogen-bonded Turntrans-72.8-21.6-178.6-174.152.7000113.1Y260 L282Y260-H277 HydrophobicContact CE1-CB 4.31Å; Y260-H277 AromaticContact CE1-ND1 3.61Å; Y260-H277 HydrophobicContact CE2-CB 3.98Å; Y260-H277 AromaticContact CZ-ND1 3.98Å; H277-L282 WeakPolarHBondContact O-CD2 3.34Å
278E89.8Confident95.2Very high160 Ų16038.6 Ų38.675%0.74819%0.19SC*.THydrogen-bonded Turntrans-101.813.7179.7-59.8-172.1157.500112.1G276G276-E278 VanDerWaalsContact C-N 3.27Å; G276-E278 PolarHBondContact O-N 3.29Å
279H93.9Very high95.4Very high50 Ų5033.8 Ų33.823%0.23117%0.165CC..  trans-55.7130.4-179.5-170.7-81.7000110.3A274 Q275 G276 R281 L282A274-H279 HydrophobicContact CB-CB 4.12Å; Q275-H279 PolarHBondContact O-CD2 2.85Å; G276-H279 WeakPolarHBondContact O-CB 3.38Å; G276-H279 PolarHBondContact O-N 2.92Å; H279-R281 WeakPolarHBondContact ND1-CB 3.37Å; H279-R281 PolarHBondContact ND1-N 2.76Å; H279-R281 PolarHBondContact O-N 3.02Å; H279-L282 WeakPolarHBondContact O-CB 3.39Å; H279-L282 PolarHBondContact O-N 3.06Å
280P94.5Very high95.5Very high52 Ų5233.8 Ų33.834%0.33816%0.164SC..G310 helixtrans-53.6-36.2-173.4-30.535.9000114.3L282 M283 L366 V368P280-L282 PolarHBondContact O-N 2.83Å; P280-M283 WeakPolarHBondContact O-CB 3.35Å; P280-M283 PolarHBondContact O-N 3.22Å; P280-L366 HydrophobicContact CB-CD2 4.42Å; P280-V368 HydrophobicContact CB-CG1 4.33Å; P280-V368 HydrophobicContact CB-CG2 3.64Å
281R94.3Very high95.4Very high132 Ų13236.1 Ų36.150%0.49817%0.174SC..G310 helixtrans-62.5-20.4175.1-68.3-75.1-166.3174.51.6114.7V224 V262 H279 R363V224-R281 HydrophobicContact CG1-CB 4.29Å; V224-R281 HydrophobicContact CG1-CG 3.93Å; V262-R281 HydrophobicContact CB-CB 4.06Å; V262-R281 HydrophobicContact CG1-CB 4.46Å; V262-R281 HydrophobicContact CG2-CB 4.13Å; H279-R281 WeakPolarHBondContact ND1-CB 3.37Å; H279-R281 PolarHBondContact ND1-N 2.76Å; H279-R281 PolarHBondContact O-N 3.02Å; R281-R363 PolarHBondContact O-NH1 3.27Å; R281-R363 PolarHBondContact O-NH2 3.21Å
282L94.5Very high95.4Very high0 Ų037.6 Ų37.60%018%0.182CC..G310 helixtrans-85.9-19.6174.4-169.158.8000112.3V261 V262 H277 H279 P280 A338 A339V261-L282 WeakPolarHBondContact O-CD1 3.32Å; V262-L282 HydrophobicContact CG1-CB 4.01Å; V262-L282 HydrophobicContact CG1-CD1 4.31Å; H277-L282 WeakPolarHBondContact O-CD2 3.34Å; H279-L282 WeakPolarHBondContact O-CB 3.39Å; H279-L282 PolarHBondContact O-N 3.06Å; P280-L282 PolarHBondContact O-N 2.83Å; L282-A338 HydrophobicContact CD2-CB 4.42Å; L282-A338 HydrophobicContact CG-CB 4.34Å; L282-A339 HydrophobicContact CD1-CB 3.91Å; L282-A339 HydrophobicContact CG-CB 4.35Å; L282-A339 PolarHBondContact O-N 3.01Å
283M96.5Very high95.4Very high34 Ų3438.3 Ų38.317%0.16718%0.183CC..EExtended strand (participates in β ladder)trans-84.7149.5-175-56.3-58.2-10600111.5P280 P336 V337 A338 L366P280-M283 WeakPolarHBondContact O-CB 3.35Å; P280-M283 PolarHBondContact O-N 3.22Å; M283-P336 HydrophobicContact CB-CB 4.1Å; M283-P336 HydrophobicContact CE-CB 4.32Å; M283-V337 CarbonylContact C-O 3.53Å; M283-A338 HydrophobicContact SD-CB 3.63Å; M283-L366 HydrophobicContact CB-CB 3.93Å; M283-L366 HydrophobicContact CB-CD2 3.93Å; M283-L366 HydrophobicContact CG-CD2 4.47Å; M283-L366 PolarHBondContact O-N 2.93Å; M283-L366 VanDerWaalsContact O-N 3.09Å
284S97.7Very high95.5Very high0 Ų039.4 Ų39.40%019%0.187CC..EExtended strand (participates in β ladder)trans-136.6136.9177.2-60.30000109.6G286 F333 P336 V337 L364S284-G286 VanDerWaalsContact C-N 3.31Å; S284-F333 WeakPolarHBondContact O-CD2 2.92Å; S284-P336 CarbonylContact O-C 3.53Å; S284-P336 VanDerWaalsContact O-CA 3.31Å; S284-P336 WeakPolarHBondContact O-CA 3.4Å; S284-V337 PolarHBondContact N-O 2.97Å; S284-V337 PolarHBondContact O-N 2.93Å; S284-L364 CarbonylContact C-O 3.42Å; S284-L364 WeakPolarHBondContact CA-O 3.38Å; S284-L364 VanDerWaalsContact CB-O 3.29Å; S284-L364 WeakPolarHBondContact CB-O 3.47Å
285V98.3Very high95.6Very high48 Ų4839.8 Ų39.829%0.29119%0.189SC..EExtended strand (participates in β ladder)trans-85.8-9.8175.3-66.10000112.1F333 L364 L366V285-F333 VanDerWaalsContact C-CD2 3.49Å; V285-F333 PolarHBondContact O-N 2.83Å; V285-L364 HydrophobicContact CG2-CB 4.21Å; V285-L364 PolarHBondContact N-O 3.43Å; V285-L366 HydrophobicContact CG1-CB 4.36Å; V285-L366 HydrophobicContact CG1-CD1 3.5Å; V285-L366 VanDerWaalsContact CG1-CD1 3.5Å
286G98.5Very high95.7Very high0 Ų041.9 Ų41.90%020%0.201CC..EExtended strand (participates in β ladder)trans-177.6-166.5179.600000112.9S284 V331 F333 L364S284-G286 VanDerWaalsContact C-N 3.31Å; G286-V331 CarbonylContact C-O 3.56Å; G286-V331 WeakPolarHBondContact CA-O 3.36Å; G286-F333 VanDerWaalsContact CA-CE2 3.41Å; G286-L364 PolarHBondContact N-O 3.46Å; G286-L364 PolarHBondContact O-N 2.96Å
287L98.6Very high95.9Very high0 Ų046.4 Ų46.40%022%0.218CC..EExtended strand (participates in β ladder)trans-153.216217458.982.9000111.3A289 T310 V331 F333 V340 A346 I360 Q362L287-A289 HydrophobicContact CD1-CB 3.74Å; L287-T310 HydrophobicContact CD2-CG2 3.76Å; L287-V331 HydrophobicContact CD1-CB 3.75Å; L287-V331 HydrophobicContact CD1-CG2 3.57Å; L287-V331 HydrophobicContact CG-CB 3.95Å; L287-V331 HydrophobicContact CG-CG2 4.32Å; L287-V331 PolarHBondContact N-O 3.37Å; L287-V331 PolarHBondContact O-N 3.33Å; L287-F333 HydrophobicContact CD2-CE1 4.19Å; L287-F333 HydrophobicContact CD2-CZ 3.77Å; L287-F333 HydrophobicContact CG-CE1 4.4Å; L287-F333 HydrophobicContact CG-CZ 4.03Å; L287-V340 HydrophobicContact CB-CG1 3.97Å; L287-V340 HydrophobicContact CD2-CG1 3.85Å; L287-A346 HydrophobicContact CD1-CB 4.12Å; L287-A346 HydrophobicContact CD2-CB 4.03Å; L287-I360 HydrophobicContact CB-CG2 4.26Å; L287-I360 HydrophobicContact CD2-CD1 3.86Å; L287-I360 HydrophobicContact CD2-CG1 3.96Å; L287-I360 HydrophobicContact CD2-CG2 4.48Å; L287-Q362 CarbonylContact C-O 3.58Å; L287-Q362 VanDerWaalsContact CA-O 3.29Å; L287-Q362 WeakPolarHBondContact CA-O 3.36Å; L287-Q362 WeakPolarHBondContact CB-O 3.49Å
288I98.5Very high96Very high15 Ų1547.2 Ų47.28%0.07722%0.222CC..EExtended strand (participates in β ladder)trans-104.4128.8160.5-54.5-52.7000107.6L324 R328 I329 E330 E361 Q362 L364I288-L324 HydrophobicContact CD1-CD1 3.84Å; I288-L324 HydrophobicContact CG2-CD1 4.36Å; I288-R328 HydrophobicContact CG2-CB 4.48Å; I288-I329 WeakPolarHBondContact CA-O 3.42Å; I288-E330 HydrophobicContact CD1-CB 3.8Å; I288-E330 HydrophobicContact CD1-CG 3.95Å; I288-E361 WeakPolarHBondContact CG2-OE2 3.19Å; I288-E361 PolarHBondContact O-N 2.67Å; I288-Q362 PolarHBondContact N-O 3.32Å; I288-Q362 PolarHBondContact O-N 2.71Å; I288-L364 HydrophobicContact CD1-CD1 4.35Å; I288-L364 HydrophobicContact CD1-CD2 4.37Å; I288-L364 HydrophobicContact CG1-CD2 4.18Å
289A98.2Very high96Very high0 Ų044.3 Ų44.30%022%0.217CC..EExtended strand (participates in β ladder)trans-116.3144.8174.700000110.5L287 R328 I329 A346 I359L287-A289 HydrophobicContact CD1-CB 3.74Å; A289-R328 WeakPolarHBondContact O-CA 3.33Å; A289-I329 HydrophobicContact CB-CD1 4.1Å; A289-I329 HydrophobicContact CB-CG1 3.81Å; A289-I329 PolarHBondContact N-O 2.76Å; A289-I329 PolarHBondContact O-N 2.85Å; A289-A346 HydrophobicContact CB-CB 4.37Å; A289-I359 CarbonylContact C-O 3.56Å; A289-I359 VanDerWaalsContact CA-O 3.25Å; A289-I359 WeakPolarHBondContact CA-O 3.25Å
290Q97Very high95.9Very high36 Ų3643.5 Ų43.517%0.16821%0.212CC..EExtended strand (participates in β ladder)trans-131.5-178.717969.5172.599.300112D327 R328 G358 I359 E361Q290-D327 WeakPolarHBondContact CA-O 3.3Å; Q290-R328 HydrophobicContact CB-CG 4.01Å; Q290-G358 CarbonylContact O-C 3.53Å; Q290-G358 WeakPolarHBondContact O-CA 3.3Å; Q290-I359 PolarHBondContact N-O 3.21Å; Q290-I359 PolarHBondContact O-N 3.06Å; Q290-E361 HydrophobicContact CG-CB 4.06Å; Q290-E361 VanDerWaalsContact OE1-CD 3.26Å
291Q95.2Very high95.9Very high85 Ų8546.2 Ų46.240%0.39723%0.228SC..EExtended strand (participates in β ladder)trans54.754.5-179.7-63.317645.800110.8H293 D327 I359Q291-H293 PolarHBondContact O-CD2 2.81Å; Q291-H293 PolarHBondContact O-N 3.28Å; Q291-D327 VanDerWaalsContact CA-OD1 3.3Å; Q291-D327 WeakPolarHBondContact CA-OD1 3.22Å; Q291-D327 PolarHBondContact N-OD1 3.45Å; Q291-I359 HydrophobicContact CB-CG1 4.21Å
292L96.8Very high95.9Very high31 Ų3142 Ų4216%0.16223%0.226CC..EExtended strand (participates in β ladder)trans-72.8130.1-169-51.9176.3000110.9D327 I329L292-D327 WeakPolarHBondContact CG-O 3.18Å; L292-I329 HydrophobicContact CD1-CG2 3.76Å; L292-I329 HydrophobicContact CD2-CD1 3.78Å; L292-I329 HydrophobicContact CD2-CG1 3.86Å; L292-I329 HydrophobicContact CD2-CG2 4.49Å
293H96.8Very high96.1Very high44 Ų4446.4 Ų46.420%0.20425%0.253CS..EExtended strand (participates in β ladder)trans-124.296.7172.6-70.1-66.1000109K104 Y156 T157 Q291 G356 G357K104-H293 PolarHBondContact NZ-CE1 2.95Å; K104-H293 PolarHBondContact NZ-NE2 3.47Å; Y156-H293 HydrophobicContact CD2-CB 4.34Å; Y156-H293 HydrophobicContact CE2-CB 4.13Å; T157-H293 HydrophobicContact CG2-CB 4.37Å; Q291-H293 PolarHBondContact O-CD2 2.81Å; Q291-H293 PolarHBondContact O-N 3.28Å; H293-G356 CarbonylContact O-C 3.53Å; H293-G356 WeakPolarHBondContact O-CA 3.42Å; H293-G357 PolarHBondContact N-O 3.32Å; H293-G357 PolarHBondContact O-N 3.24Å
294W97.2Very high96.1Very high24 Ų2448 Ų489%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-84.2138.6170.3-59108.2000110.3R297 F300 I329 F348 L355W294-R297 WeakPolarHBondContact O-CD 3.29Å; W294-R297 PolarHBondContact O-N 3.15Å; W294-R297 PolarHBondContact O-NH1 3.36Å; W294-F300 HydrophobicContact CD2-CB 4.28Å; W294-F300 VanDerWaalsContact CE2-CB 3.45Å; W294-F300 HydrophobicContact CH2-CG 4.5Å; W294-F300 HydrophobicContact CZ2-CB 3.6Å; W294-F300 HydrophobicContact CZ2-CD1 4.12Å; W294-F300 AromaticContact CZ2-CG 3.89Å; W294-F300 HydrophobicContact CZ2-CG 3.89Å; W294-F300 VanDerWaalsContact NE1-CB 3.33Å; W294-I329 HydrophobicContact CH2-CD1 4.49Å; W294-I329 HydrophobicContact CZ2-CD1 4.28Å; W294-F348 AromaticContact CH2-CD2 3.68Å; W294-F348 HydrophobicContact CH2-CD2 3.68Å; W294-F348 HydrophobicContact CH2-CE2 4.17Å; W294-F348 HydrophobicContact CH2-CG 4.28Å; W294-F348 HydrophobicContact CZ3-CB 4.27Å; W294-F348 AromaticContact CZ3-CD2 3.87Å; W294-F348 HydrophobicContact CZ3-CD2 3.87Å; W294-F348 HydrophobicContact CZ3-CG 4.36Å; W294-L355 HydrophobicContact CE3-CB 4.11Å; W294-L355 HydrophobicContact CZ3-CB 3.92Å
295V97.8Very high96.2Very high7 Ų753.9 Ų53.94%0.04228%0.283CS..THydrogen-bonded Turntrans-65.3-41.3-176.3170.40000111L141 L158 S159 H160 I163 R297 L355L141-V295 HydrophobicContact CB-CG1 4.34Å; L141-V295 HydrophobicContact CB-CG2 4.35Å; L158-V295 WeakPolarHBondContact O-CA 3.29Å; S159-V295 CarbonylContact C-O 3.38Å; H160-V295 PolarHBondContact N-O 3.5Å; I163-V295 HydrophobicContact CD1-CG1 3.41Å; I163-V295 VanDerWaalsContact CD1-CG1 3.41Å; V295-R297 PolarHBondContact O-N 3.2Å; V295-L355 PolarHBondContact N-O 2.8Å
296D95.5Very high96.2Very high71 Ų7152.1 Ų52.138%0.3827%0.272SS..THydrogen-bonded Turntrans-76.1-4.7179.2643.6000114.4K138 H160 E298K138-D296 HydrophobicContact CD-CB 4.36Å; K138-D296 PolarHBondContact NZ-O 3.44Å; H160-D296 PolarHBondContact CD2-O 3.26Å; D296-E298 HydrophobicContact CB-CG 4.34Å; D296-E298 PolarHBondContact O-N 3.49Å; D296-E298 PolarHBondContact OD1-N 3.49Å
297R95.2Very high96.2Very high96 Ų9653.5 Ų53.536%0.36228%0.281SS..  trans57.521.1-176.1-61.4-61.7-170.9-126.43.4114.4T157 S159 W294 V295T157-R297 PolarHBondContact O-NH1 3.07Å; T157-R297 PolarHBondContact O-NH2 3.43Å; S159-R297 VanDerWaalsContact CB-CZ 3.49Å; S159-R297 VanDerWaalsContact N-NH2 3.12Å; W294-R297 WeakPolarHBondContact O-CD 3.29Å; W294-R297 PolarHBondContact O-N 3.15Å; W294-R297 PolarHBondContact O-NH1 3.36Å; V295-R297 PolarHBondContact O-N 3.2Å
298E92.1Very high96.2Very high107 Ų10753.5 Ų53.550%0.528%0.281SS..PPolyproline II helixtrans-90.4129.8171.7-59.3-62.8157.500109.5K138 D296 F300K138-E298 IonicContact NZ-OE1 3.63Å; K138-E298 PolarHBondContact NZ-OE1 2.97Å; D296-E298 HydrophobicContact CB-CG 4.34Å; D296-E298 PolarHBondContact O-N 3.49Å; D296-E298 PolarHBondContact OD1-N 3.49Å; E298-F300 PolarHBondContact O-N 3.26Å
299P88.3Confident96.2Very high99 Ų9953.6 Ų53.664%0.64328%0.281SS*.PPolyproline II helixtrans-58.9123.9173-23.433.6000110.7T301P299-T301 PolarHBondContact O-N 2.91Å
300F92.8Very high96.1Very high32 Ų3253.7 Ų53.714%0.1428%0.282CS..PPolyproline II helixtrans-73.4123.9176.3176.3-108.6000110.5W294 E298 M304 V321 A323 I329W294-F300 HydrophobicContact CD2-CB 4.28Å; W294-F300 VanDerWaalsContact CE2-CB 3.45Å; W294-F300 HydrophobicContact CH2-CG 4.5Å; W294-F300 HydrophobicContact CZ2-CB 3.6Å; W294-F300 HydrophobicContact CZ2-CD1 4.12Å; W294-F300 AromaticContact CZ2-CG 3.89Å; W294-F300 HydrophobicContact CZ2-CG 3.89Å; W294-F300 VanDerWaalsContact NE1-CB 3.33Å; E298-F300 PolarHBondContact O-N 3.26Å; F300-M304 HydrophobicContact CD2-CE 4.29Å; F300-M304 HydrophobicContact CE2-CB 3.75Å; F300-M304 HydrophobicContact CE2-CE 3.94Å; F300-M304 HydrophobicContact CZ-CB 3.81Å; F300-V321 HydrophobicContact CD1-CG1 4.43Å; F300-V321 HydrophobicContact CE1-CG1 3.83Å; F300-V321 HydrophobicContact CZ-CG1 4.38Å; F300-A323 HydrophobicContact CD1-CB 4.04Å; F300-A323 HydrophobicContact CE1-CB 4.12Å; F300-I329 HydrophobicContact CD1-CG2 3.92Å; F300-I329 HydrophobicContact CE1-CG2 4.37Å
301T93.1Very high96Very high109 Ų10956.4 Ų56.467%0.66929%0.29SS*.  trans-125.7149.717360.90000109.9P299P299-T301 PolarHBondContact O-N 2.91Å
302G95.7Very high95.9Very high43 Ų4355.3 Ų55.344%0.44328%0.283SS..SBendtrans85.6-135.917600000114.1K322 A323G302-K322 WeakPolarHBondContact O-CA 2.88Å; G302-A323 PolarHBondContact O-N 3Å
303T97.8Very high95.5Very high94 Ų9460.9 Ų60.958%0.57730%0.302SS*.EExtended strand (participates in β ladder)trans-139.7138-171.7-57.20000110.8T320 V321T303-T320 HydrophobicContact CG2-CG2 3.52Å; T303-V321 CarbonylContact C-O 3.47Å; T303-V321 VanDerWaalsContact CA-O 3.22Å; T303-V321 WeakPolarHBondContact CA-O 3.4Å; T303-V321 WeakPolarHBondContact CG2-O 3.4Å
304M97.6Very high95.3Very high68 Ų6860 Ų6034%0.33530%0.298SS..EExtended strand (participates in β ladder)trans-137140.7-178.9-177.5-175.4-66.100110.9F300 C306 V321 L355F300-M304 HydrophobicContact CD2-CE 4.29Å; F300-M304 HydrophobicContact CE2-CB 3.75Å; F300-M304 HydrophobicContact CE2-CE 3.94Å; F300-M304 HydrophobicContact CZ-CB 3.81Å; M304-C306 HydrophobicContact CG-CB 4.48Å; M304-C306 HydrophobicContact SD-CB 4.41Å; M304-V321 PolarHBondContact N-O 3.26Å; M304-V321 PolarHBondContact O-N 3.42Å; M304-L355 HydrophobicContact SD-CD1 3.56Å; M304-L355 VanDerWaalsContact SD-CD1 3.56Å
305R98.5Very high95.2Very high123 Ų12364.7 Ų64.746%0.46433%0.329SS..EExtended strand (participates in β ladder)trans-93.1124.7168.1178.558.2-179.7170.5-9109.5P318 C319 D334R305-P318 VanDerWaalsContact NH1-C 3.28Å; R305-C319 WeakPolarHBondContact CD-O 3.43Å; R305-C319 PolarHBondContact NH1-O 3.26Å; R305-D334 IonicContact CZ-OD1 2.79Å; R305-D334 VanDerWaalsContact CZ-OD1 3.31Å; R305-D334 IonicContact CZ-OD2 3.31Å; R305-D334 IonicContact NH1-OD1 2.81Å; R305-D334 PolarHBondContact NH1-OD1 3.25Å; R305-D334 IonicContact NH1-OD2 2.66Å; R305-D334 VanDerWaalsContact NH2-CG 3.25Å; R305-D334 IonicContact NH2-OD1 3.61Å; R305-D334 PolarHBondContact NH2-OD1 3.47Å; R305-D334 IonicContact NH2-OD2 3.23Å; R305-D334 PolarHBondContact NH2-OD2 3.32Å
306C98.5Very high95.2Very high10 Ų1066.7 Ų66.77%0.06834%0.34CS..EExtended strand (participates in β ladder)trans-156.2-170.4-178.4660000110.9M304 C319 V321 Y349 L355M304-C306 HydrophobicContact CG-CB 4.48Å; M304-C306 HydrophobicContact SD-CB 4.41Å; C306-C319 PolarHBondContact N-O 3.28Å; C306-C319 PolarHBondContact O-N 2.94Å; C306-C319 VanDerWaalsContact O-O 3.05Å; C306-V321 VanDerWaalsContact SG-CG2 3.51Å; C306-Y349 VanDerWaalsContact CB-O 3.31Å; C306-Y349 WeakPolarHBondContact CB-O 3.41Å; C306-L355 HydrophobicContact CB-CD1 4.26Å
307T98.8Very high95.3Very high30 Ų3064.1 Ų64.118%0.18433%0.326CS..EExtended strand (participates in β ladder)trans-111.9152.5166.260.60000111D316 I317 F348 Y349T307-D316 WeakPolarHBondContact CB-OD2 3.45Å; T307-D316 HydrophobicContact CG2-CB 4.02Å; T307-D316 PolarHBondContact OG1-OD2 2.89Å; T307-I317 CarbonylContact C-O 3.55Å; T307-I317 WeakPolarHBondContact CA-O 3.33Å; T307-F348 CarbonylContact O-C 3.51Å; T307-F348 WeakPolarHBondContact O-CA 3.37Å; T307-Y349 PolarHBondContact N-O 3.27Å; T307-Y349 PolarHBondContact O-N 2.89Å; T307-Y349 PolarHBondContact OG1-O 3.17Å
308V98.7Very high95.5Very high0 Ų062.2 Ų62.20%033%0.326CS..EExtended strand (participates in β ladder)trans-126.2146.5176.565.10000111.1I317 C319 V331 F333 A346 V347 F348V308-I317 HydrophobicContact CG1-CB 3.96Å; V308-I317 HydrophobicContact CG1-CG2 4.28Å; V308-I317 PolarHBondContact N-O 3.47Å; V308-I317 WeakPolarHBondContact O-CB 3.49Å; V308-I317 PolarHBondContact O-N 2.61Å; V308-C319 HydrophobicContact CG1-CB 3.91Å; V308-C319 VanDerWaalsContact CG1-SG 3.54Å; V308-V331 HydrophobicContact CG1-CG1 4.33Å; V308-F333 HydrophobicContact CG1-CD1 4.03Å; V308-F333 HydrophobicContact CG1-CE1 3.78Å; V308-A346 HydrophobicContact CG2-CB 3.94Å; V308-V347 CarbonylContact C-O 3.47Å; V308-V347 VanDerWaalsContact CA-O 3.28Å; V308-V347 WeakPolarHBondContact CA-O 3.32Å; V308-F348 HydrophobicContact CB-CD1 3.88Å; V308-F348 HydrophobicContact CB-CE1 3.98Å; V308-F348 HydrophobicContact CG2-CD1 3.8Å; V308-F348 HydrophobicContact CG2-CE1 3.58Å; V308-F348 HydrophobicContact CG2-CZ 4.31Å
309K98.3Very high95.8Very high16 Ų1657.1 Ų57.17%0.0730%0.302CS..EExtended strand (participates in β ladder)trans-112.8128.3160.9-64.7-171.4-179.6-170.10108.6Y153 Q314 D316 A346 V347 Y349Y153-K309 HydrophobicContact CD2-CB 4.07Å; Y153-K309 HydrophobicContact CE2-CB 4.29Å; K309-Q314 WeakPolarHBondContact CD-O 3.37Å; K309-Q314 WeakPolarHBondContact CE-O 3.45Å; K309-Q314 PolarHBondContact NZ-O 3.49Å; K309-D316 WeakPolarHBondContact CE-OD1 3.46Å; K309-D316 IonicContact NZ-OD1 3.1Å; K309-A346 WeakPolarHBondContact O-CA 3.26Å; K309-V347 PolarHBondContact N-O 2.91Å; K309-V347 PolarHBondContact O-N 3.48Å; K309-Y349 HydrophobicContact CB-CE2 4.43Å; K309-Y349 HydrophobicContact CD-CE2 4.18Å; K309-Y349 HydrophobicContact CG-CE2 4.09Å
310T97Very high96.3Very high3 Ų355.1 Ų55.12%0.01829%0.288CS..SBendtrans-97.7-0.9175.169.30000112.5L287 Q314 I317 F333 V340 S345 I360L287-T310 HydrophobicContact CD2-CG2 3.76Å; T310-Q314 PolarHBondContact OG1-OE1 2.98Å; T310-I317 HydrophobicContact CG2-CD1 4.44Å; T310-F333 HydrophobicContact CG2-CE1 4.49Å; T310-F333 HydrophobicContact CG2-CZ 4.24Å; T310-V340 HydrophobicContact CG2-CG2 4.48Å; T310-S345 CarbonylContact C-O 3.51Å; T310-S345 WeakPolarHBondContact CA-O 3.33Å; T310-I360 HydrophobicContact CG2-CD1 4.33Å
311R94.9Very high96.6Very high92 Ų9253.7 Ų53.735%0.34728%0.282SS..SBendtrans-160.2158173.858.8-171.2152.6-156-12.5110.5Q314 A338R311-Q314 HydrophobicContact CG-CB 3.9Å; R311-Q314 HydrophobicContact CG-CG 4.27Å; R311-Q314 WeakPolarHBondContact O-CB 3.43Å; R311-Q314 PolarHBondContact O-N 3.47Å; R311-A338 PolarHBondContact NH2-O 3.24Å
312Y92.5Very high96.8Very high62 Ų6253.2 Ų53.224%0.24327%0.271CS..THydrogen-bonded Turntrans-60.9144.4177-176.4-129000112D150 Y153 F154 Q314D150-Y312 VanDerWaalsContact O-CE2 3.24Å; D150-Y312 WeakPolarHBondContact O-CE2 3.49Å; Y153-Y312 HydrophobicContact CD1-CD2 4.12Å; Y153-Y312 HydrophobicContact CD1-CG 4.39Å; Y153-Y312 HydrophobicContact CG-CD2 4.18Å; F154-Y312 HydrophobicContact CD2-CD2 4.21Å; F154-Y312 HydrophobicContact CD2-CE2 4.16Å; F154-Y312 AromaticContact CE2-CD1 3.67Å; F154-Y312 HydrophobicContact CE2-CD1 3.67Å; F154-Y312 AromaticContact CE2-CD2 3.46Å; F154-Y312 HydrophobicContact CE2-CD2 3.46Å; F154-Y312 VanDerWaalsContact CE2-CD2 3.46Å; F154-Y312 AromaticContact CE2-CE1 3.64Å; F154-Y312 HydrophobicContact CE2-CE1 3.64Å; F154-Y312 AromaticContact CE2-CE2 3.47Å; F154-Y312 HydrophobicContact CE2-CE2 3.47Å; F154-Y312 VanDerWaalsContact CE2-CE2 3.47Å; F154-Y312 AromaticContact CE2-CG 3.58Å; F154-Y312 HydrophobicContact CE2-CG 3.58Å; F154-Y312 AromaticContact CE2-CZ 3.55Å; F154-Y312 AromaticContact CZ-CD1 3.53Å; F154-Y312 HydrophobicContact CZ-CD1 3.53Å; F154-Y312 AromaticContact CZ-CD2 3.87Å; F154-Y312 HydrophobicContact CZ-CD2 3.87Å; F154-Y312 AromaticContact CZ-CE1 3.91Å; F154-Y312 HydrophobicContact CZ-CE1 3.91Å; F154-Y312 HydrophobicContact CZ-CE2 4.27Å; F154-Y312 AromaticContact CZ-CG 3.5Å; F154-Y312 HydrophobicContact CZ-CG 3.5Å; Y312-Q314 PolarHBondContact O-N 3.34Å; Y312-Q314 VanDerWaalsContact O-N 3.11Å
313R89.3Confident96.9Very high149 Ų14952.4 Ų52.456%0.56226%0.259SS*.THydrogen-bonded Turntrans58.513.3-177.5-68.5175.9168.3177-4.7116.3N148N148-R313 PolarHBondContact O-NE 2.64Å; N148-R313 PolarHBondContact O-NH2 3.02Å
314Q92.1Very high96.9Very high25 Ų2551.6 Ų51.612%0.11725%0.251CS..PPolyproline II helixtrans-68144.2167.6-159.3173.916.600110.2K309 T310 R311 Y312 I317K309-Q314 WeakPolarHBondContact CD-O 3.37Å; K309-Q314 WeakPolarHBondContact CE-O 3.45Å; K309-Q314 PolarHBondContact NZ-O 3.49Å; T310-Q314 PolarHBondContact OG1-OE1 2.98Å; R311-Q314 HydrophobicContact CG-CB 3.9Å; R311-Q314 HydrophobicContact CG-CG 4.27Å; R311-Q314 WeakPolarHBondContact O-CB 3.43Å; R311-Q314 PolarHBondContact O-N 3.47Å; Y312-Q314 PolarHBondContact O-N 3.34Å; Y312-Q314 VanDerWaalsContact O-N 3.11Å; Q314-I317 HydrophobicContact CG-CD1 4.45Å; Q314-I317 VanDerWaalsContact NE2-CD1 3.28Å
315T95Very high96.7Very high122 Ų12251.4 Ų51.475%0.74825%0.252SS*.PPolyproline II helixtrans-58142.8161.4-52.80000109.1I317T315-I317 PolarHBondContact O-N 2.93Å
316D97.3Very high96.1Very high49 Ų4953.1 Ų53.126%0.26227%0.27SS..PPolyproline II helixtrans-56129175.4-84.731.5000111.3R143 T307 K309R143-D316 IonicContact CZ-OD1 3.47Å; R143-D316 IonicContact CZ-OD2 2.93Å; R143-D316 IonicContact NH1-OD1 3.71Å; R143-D316 PolarHBondContact NH1-OD1 3.49Å; R143-D316 IonicContact NH1-OD2 3.85Å; R143-D316 IonicContact NH2-OD1 2.71Å; R143-D316 PolarHBondContact NH2-OD1 2.86Å; R143-D316 IonicContact NH2-OD2 2.8Å; R143-D316 PolarHBondContact NH2-OD2 3.32Å; T307-D316 WeakPolarHBondContact CB-OD2 3.45Å; T307-D316 HydrophobicContact CG2-CB 4.02Å; T307-D316 PolarHBondContact OG1-OD2 2.89Å; K309-D316 WeakPolarHBondContact CE-OD1 3.46Å; K309-D316 IonicContact NZ-OD1 3.1Å
317I98.3Very high95.9Very high18 Ų1856 Ų569%0.09229%0.285CS..EExtended strand (participates in β ladder)trans-99.5118.1175.4-63154.6000108T307 V308 T310 Q314 T315 C319 F333 V337T307-I317 CarbonylContact C-O 3.55Å; T307-I317 WeakPolarHBondContact CA-O 3.33Å; V308-I317 HydrophobicContact CG1-CB 3.96Å; V308-I317 HydrophobicContact CG1-CG2 4.28Å; V308-I317 PolarHBondContact N-O 3.47Å; V308-I317 WeakPolarHBondContact O-CB 3.49Å; V308-I317 PolarHBondContact O-N 2.61Å; T310-I317 HydrophobicContact CG2-CD1 4.44Å; Q314-I317 HydrophobicContact CG-CD1 4.45Å; Q314-I317 VanDerWaalsContact NE2-CD1 3.28Å; T315-I317 PolarHBondContact O-N 2.93Å; I317-C319 PolarHBondContact O-N 3.31Å; I317-F333 HydrophobicContact CG2-CB 3.97Å; I317-F333 HydrophobicContact CG2-CD1 3.79Å; I317-F333 HydrophobicContact CG2-CG 3.99Å; I317-V337 HydrophobicContact CD1-CB 4.31Å; I317-V337 HydrophobicContact CD1-CG1 3.7Å; I317-V337 HydrophobicContact CD1-CG2 3.59Å; I317-V337 HydrophobicContact CG1-CG2 3.99Å; I317-V337 HydrophobicContact CG2-CG2 3.74Å
318P98.7Very high95.9Very high56 Ų5659.2 Ų59.236%0.36429%0.294SS..EExtended strand (participates in β ladder)trans-62.5126.2171.1-1730.4000110.1R305 D334R305-P318 VanDerWaalsContact NH1-C 3.28Å; P318-D334 HydrophobicContact CB-CB 4.39Å; P318-D334 PolarHBondContact O-N 3.18Å
319C98.8Very high95.8Very high0 Ų059.2 Ų59.20%029%0.294CS..EExtended strand (participates in β ladder)trans-143.1162.8-179.165.90000113.5R305 C306 V308 I317 V331 I332 F333R305-C319 WeakPolarHBondContact CD-O 3.43Å; R305-C319 PolarHBondContact NH1-O 3.26Å; C306-C319 PolarHBondContact N-O 3.28Å; C306-C319 PolarHBondContact O-N 2.94Å; C306-C319 VanDerWaalsContact O-O 3.05Å; V308-C319 HydrophobicContact CG1-CB 3.91Å; V308-C319 VanDerWaalsContact CG1-SG 3.54Å; I317-C319 PolarHBondContact O-N 3.31Å; C319-V331 HydrophobicContact CB-CG1 3.71Å; C319-I332 CarbonylContact C-O 3.54Å; C319-I332 WeakPolarHBondContact CA-O 3.45Å; C319-I332 VanDerWaalsContact CB-O 3.31Å; C319-I332 WeakPolarHBondContact CB-O 3.41Å; C319-F333 HydrophobicContact CB-CD1 4.01Å
320T98.8Very high95.9Very high56 Ų5661.2 Ų61.234%0.34430%0.303SS..EExtended strand (participates in β ladder)trans-110.7125.4168-59.80000108.4T303 V331 I332T303-T320 HydrophobicContact CG2-CG2 3.52Å; T320-V331 WeakPolarHBondContact O-CA 3.43Å; T320-I332 PolarHBondContact N-O 2.93Å; T320-I332 PolarHBondContact O-N 2.79Å
321V98.6Very high95.9Very high2 Ų261 Ų611%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-103.9133.3179.2-176.40000108.8F300 T303 M304 C306 I329 E330 V331 F348F300-V321 HydrophobicContact CD1-CG1 4.43Å; F300-V321 HydrophobicContact CE1-CG1 3.83Å; F300-V321 HydrophobicContact CZ-CG1 4.38Å; T303-V321 CarbonylContact C-O 3.47Å; T303-V321 VanDerWaalsContact CA-O 3.22Å; T303-V321 WeakPolarHBondContact CA-O 3.4Å; T303-V321 WeakPolarHBondContact CG2-O 3.4Å; M304-V321 PolarHBondContact N-O 3.26Å; M304-V321 PolarHBondContact O-N 3.42Å; C306-V321 VanDerWaalsContact SG-CG2 3.51Å; V321-I329 HydrophobicContact CG1-CB 3.94Å; V321-I329 HydrophobicContact CG1-CD1 3.85Å; V321-I329 HydrophobicContact CG1-CG1 4.35Å; V321-I329 HydrophobicContact CG1-CG2 4.13Å; V321-E330 CarbonylContact C-O 3.5Å; V321-E330 WeakPolarHBondContact CA-O 3.19Å; V321-V331 HydrophobicContact CG1-CG2 4.36Å; V321-V331 HydrophobicContact CG2-CG1 4.27Å; V321-V331 HydrophobicContact CG2-CG2 4.19Å; V321-F348 HydrophobicContact CG2-CD1 3.72Å; V321-F348 HydrophobicContact CG2-CE1 3.66Å; V321-F348 HydrophobicContact CG2-CZ 4.5Å
322K98.3Very high96.1Very high100 Ų10059.9 Ų59.944%0.43530%0.302SS..EExtended strand (participates in β ladder)trans-131.2130.2178.2179.6-176.6173-167.20110G302 L324 I329 E330G302-K322 WeakPolarHBondContact O-CA 2.88Å; K322-L324 PolarHBondContact O-N 3.06Å; K322-I329 CarbonylContact O-C 3.58Å; K322-I329 VanDerWaalsContact O-CA 3.32Å; K322-I329 WeakPolarHBondContact O-CA 3.5Å; K322-E330 PolarHBondContact N-O 3Å; K322-E330 PolarHBondContact O-N 2.87Å
323A97.7Very high96.4Very high25 Ų2557.5 Ų57.521%0.20729%0.293CS..EExtended strand (participates in β ladder)trans-67.5130.8172.300000110.4F300 G302F300-A323 HydrophobicContact CD1-CB 4.04Å; F300-A323 HydrophobicContact CE1-CB 4.12Å; G302-A323 PolarHBondContact O-N 3Å
324L97Very high96.9Very high77 Ų7754.8 Ų54.840%0.40329%0.29SS..SBendtrans-97.1-43.5171.5-64.8-179.7000110.6I288 K322 R328 E330I288-L324 HydrophobicContact CD1-CD1 3.84Å; I288-L324 HydrophobicContact CG2-CD1 4.36Å; K322-L324 PolarHBondContact O-N 3.06Å; L324-R328 HydrophobicContact CB-CB 4.32Å; L324-R328 PolarHBondContact N-O 3.4Å; L324-E330 HydrophobicContact CD1-CB 4.09Å; L324-E330 HydrophobicContact CD2-CB 3.99Å; L324-E330 HydrophobicContact CG-CB 4.01Å
325D93.7Very high97.1Very high64 Ų6460.7 Ų60.734%0.34232%0.317SS..SBendtrans-157-169.2175.356.654.8000109.5D327 R328D325-D327 VanDerWaalsContact C-N 3.26Å; D325-D327 PolarHBondContact O-N 3.5Å; D325-D327 PolarHBondContact OD1-N 2.84Å; D325-R328 PolarHBondContact N-O 3.23Å; D325-R328 WeakPolarHBondContact OD1-CB 3.41Å; D325-R328 PolarHBondContact OD1-N 3.15Å; D325-R328 IonicContact OD1-NE 2.83Å; D325-R328 IonicContact OD2-CZ 2.87Å; D325-R328 VanDerWaalsContact OD2-CZ 3.26Å; D325-R328 IonicContact OD2-NE 3.84Å; D325-R328 PolarHBondContact OD2-NE 2.95Å; D325-R328 IonicContact OD2-NH2 3.26Å; D325-R328 PolarHBondContact OD2-NH2 3.09Å
326D87Confident97.2Very high159 Ų15957.7 Ų57.785%0.8530%0.3SS*.SBendtrans-67.3-21.7-175.1-65.5-23.1000114
327D93.3Very high97.2Very high72 Ų7256 Ų5639%0.38529%0.291SS..SBendtrans-116.6-8.2-179.4-171.644.1000113Q290 Q291 L292 D325Q290-D327 WeakPolarHBondContact CA-O 3.3Å; Q291-D327 VanDerWaalsContact CA-OD1 3.3Å; Q291-D327 WeakPolarHBondContact CA-OD1 3.22Å; Q291-D327 PolarHBondContact N-OD1 3.45Å; L292-D327 WeakPolarHBondContact CG-O 3.18Å; D325-D327 VanDerWaalsContact C-N 3.26Å; D325-D327 PolarHBondContact O-N 3.5Å; D325-D327 PolarHBondContact OD1-N 2.84Å
328R97.8Very high97Very high96 Ų9655.8 Ų55.836%0.36229%0.293SS..  trans-127.5140.7-175.8-63.6-175.1-60.4166.53.5114.5I288 A289 Q290 L324 D325 E361I288-R328 HydrophobicContact CG2-CB 4.48Å; A289-R328 WeakPolarHBondContact O-CA 3.33Å; Q290-R328 HydrophobicContact CB-CG 4.01Å; L324-R328 HydrophobicContact CB-CB 4.32Å; L324-R328 PolarHBondContact N-O 3.4Å; D325-R328 PolarHBondContact N-O 3.23Å; D325-R328 WeakPolarHBondContact OD1-CB 3.41Å; D325-R328 PolarHBondContact OD1-N 3.15Å; D325-R328 IonicContact OD1-NE 2.83Å; D325-R328 IonicContact OD2-CZ 2.87Å; D325-R328 VanDerWaalsContact OD2-CZ 3.26Å; D325-R328 IonicContact OD2-NE 3.84Å; D325-R328 PolarHBondContact OD2-NE 2.95Å; D325-R328 IonicContact OD2-NH2 3.26Å; D325-R328 PolarHBondContact OD2-NH2 3.09Å; R328-E361 WeakPolarHBondContact CD-OE2 3.12Å
329I98.4Very high96.8Very high1 Ų153.3 Ų53.31%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-124.6143.7172.358.4-177.6000111I288 A289 L292 W294 F300 V321 K322 V331 F348I288-I329 WeakPolarHBondContact CA-O 3.42Å; A289-I329 HydrophobicContact CB-CD1 4.1Å; A289-I329 HydrophobicContact CB-CG1 3.81Å; A289-I329 PolarHBondContact N-O 2.76Å; A289-I329 PolarHBondContact O-N 2.85Å; L292-I329 HydrophobicContact CD1-CG2 3.76Å; L292-I329 HydrophobicContact CD2-CD1 3.78Å; L292-I329 HydrophobicContact CD2-CG1 3.86Å; L292-I329 HydrophobicContact CD2-CG2 4.49Å; W294-I329 HydrophobicContact CH2-CD1 4.49Å; W294-I329 HydrophobicContact CZ2-CD1 4.28Å; F300-I329 HydrophobicContact CD1-CG2 3.92Å; F300-I329 HydrophobicContact CE1-CG2 4.37Å; V321-I329 HydrophobicContact CG1-CB 3.94Å; V321-I329 HydrophobicContact CG1-CD1 3.85Å; V321-I329 HydrophobicContact CG1-CG1 4.35Å; V321-I329 HydrophobicContact CG1-CG2 4.13Å; K322-I329 CarbonylContact O-C 3.58Å; K322-I329 VanDerWaalsContact O-CA 3.32Å; K322-I329 WeakPolarHBondContact O-CA 3.5Å; I329-V331 HydrophobicContact CD1-CG2 4.17Å; I329-V331 HydrophobicContact CG1-CG2 4.2Å; I329-F348 HydrophobicContact CD1-CD2 4.41Å; I329-F348 HydrophobicContact CD1-CE1 4.34Å; I329-F348 HydrophobicContact CD1-CE2 3.37Å; I329-F348 HydrophobicContact CD1-CZ 3.33Å
330E98.7Very high96.7Very high57 Ų5753.3 Ų53.327%0.26628%0.277SS..EExtended strand (participates in β ladder)trans-93.6133.4164.2178.8176.5-108.800109I288 V321 K322 L324 I332 L364I288-E330 HydrophobicContact CD1-CB 3.8Å; I288-E330 HydrophobicContact CD1-CG 3.95Å; V321-E330 CarbonylContact C-O 3.5Å; V321-E330 WeakPolarHBondContact CA-O 3.19Å; K322-E330 PolarHBondContact N-O 3Å; K322-E330 PolarHBondContact O-N 2.87Å; L324-E330 HydrophobicContact CD1-CB 4.09Å; L324-E330 HydrophobicContact CD2-CB 3.99Å; L324-E330 HydrophobicContact CG-CB 4.01Å; E330-I332 HydrophobicContact CG-CD1 3.76Å; E330-I332 HydrophobicContact CG-CG1 4.17Å; E330-L364 HydrophobicContact CG-CD1 4.28Å
331V98.7Very high96.5Very high0 Ų051.2 Ų51.20%026%0.264CS..EExtended strand (participates in β ladder)trans-124116.5178.2-174.90000108G286 L287 V308 C319 T320 V321 I329 F333 F348G286-V331 CarbonylContact C-O 3.56Å; G286-V331 WeakPolarHBondContact CA-O 3.36Å; L287-V331 HydrophobicContact CD1-CB 3.75Å; L287-V331 HydrophobicContact CD1-CG2 3.57Å; L287-V331 HydrophobicContact CG-CB 3.95Å; L287-V331 HydrophobicContact CG-CG2 4.32Å; L287-V331 PolarHBondContact N-O 3.37Å; L287-V331 PolarHBondContact O-N 3.33Å; V308-V331 HydrophobicContact CG1-CG1 4.33Å; C319-V331 HydrophobicContact CB-CG1 3.71Å; T320-V331 WeakPolarHBondContact O-CA 3.43Å; V321-V331 HydrophobicContact CG1-CG2 4.36Å; V321-V331 HydrophobicContact CG2-CG1 4.27Å; V321-V331 HydrophobicContact CG2-CG2 4.19Å; I329-V331 HydrophobicContact CD1-CG2 4.17Å; I329-V331 HydrophobicContact CG1-CG2 4.2Å; V331-F333 HydrophobicContact CG1-CD1 4.23Å; V331-F333 HydrophobicContact CG1-CE1 3.91Å; V331-F348 HydrophobicContact CG1-CE1 4.13Å; V331-F348 HydrophobicContact CG2-CE1 3.66Å; V331-F348 HydrophobicContact CG2-CZ 3.71Å
332I98.7Very high96.2Very high68 Ų6852.8 Ų52.835%0.34927%0.274SS..EExtended strand (participates in β ladder)trans-105.9124.9176.4-54.6-53.7000108.1C319 T320 E330 L364C319-I332 CarbonylContact C-O 3.54Å; C319-I332 WeakPolarHBondContact CA-O 3.45Å; C319-I332 VanDerWaalsContact CB-O 3.31Å; C319-I332 WeakPolarHBondContact CB-O 3.41Å; T320-I332 PolarHBondContact N-O 2.93Å; T320-I332 PolarHBondContact O-N 2.79Å; E330-I332 HydrophobicContact CG-CD1 3.76Å; E330-I332 HydrophobicContact CG-CG1 4.17Å; I332-L364 HydrophobicContact CD1-CD1 3.75Å
333F98.7Very high96Very high11 Ų1148.1 Ų48.15%0.04826%0.255CS..EExtended strand (participates in β ladder)trans-82.2152.4176.1-45.8-46.5000110.7S284 V285 G286 L287 V308 T310 I317 C319 V331 E335 V337 V340S284-F333 WeakPolarHBondContact O-CD2 2.92Å; V285-F333 VanDerWaalsContact C-CD2 3.49Å; V285-F333 PolarHBondContact O-N 2.83Å; G286-F333 VanDerWaalsContact CA-CE2 3.41Å; L287-F333 HydrophobicContact CD2-CE1 4.19Å; L287-F333 HydrophobicContact CD2-CZ 3.77Å; L287-F333 HydrophobicContact CG-CE1 4.4Å; L287-F333 HydrophobicContact CG-CZ 4.03Å; V308-F333 HydrophobicContact CG1-CD1 4.03Å; V308-F333 HydrophobicContact CG1-CE1 3.78Å; T310-F333 HydrophobicContact CG2-CE1 4.49Å; T310-F333 HydrophobicContact CG2-CZ 4.24Å; I317-F333 HydrophobicContact CG2-CB 3.97Å; I317-F333 HydrophobicContact CG2-CD1 3.79Å; I317-F333 HydrophobicContact CG2-CG 3.99Å; C319-F333 HydrophobicContact CB-CD1 4.01Å; V331-F333 HydrophobicContact CG1-CD1 4.23Å; V331-F333 HydrophobicContact CG1-CE1 3.91Å; F333-E335 VanDerWaalsContact C-N 3.3Å; F333-E335 WeakPolarHBondContact CB-O 3.44Å; F333-V337 HydrophobicContact CB-CG2 4.17Å; F333-V337 HydrophobicContact CD1-CG2 4.39Å; F333-V337 HydrophobicContact CD2-CB 3.79Å; F333-V337 HydrophobicContact CD2-CG2 3.45Å; F333-V337 VanDerWaalsContact CD2-CG2 3.45Å; F333-V337 HydrophobicContact CE2-CB 3.83Å; F333-V337 HydrophobicContact CE2-CG2 3.89Å; F333-V337 HydrophobicContact CG-CG2 3.75Å; F333-V340 HydrophobicContact CE2-CG2 3.81Å; F333-V340 HydrophobicContact CZ-CG2 4.04Å
334D98.4Very high95.8Very high92 Ų9248.3 Ų48.349%0.49225%0.251SS..EExtended strand (participates in β ladder)trans-68-34.1172.6-75.927.7000112.3R305 P318R305-D334 IonicContact CZ-OD1 2.79Å; R305-D334 VanDerWaalsContact CZ-OD1 3.31Å; R305-D334 IonicContact CZ-OD2 3.31Å; R305-D334 IonicContact NH1-OD1 2.81Å; R305-D334 PolarHBondContact NH1-OD1 3.25Å; R305-D334 IonicContact NH1-OD2 2.66Å; R305-D334 VanDerWaalsContact NH2-CG 3.25Å; R305-D334 IonicContact NH2-OD1 3.61Å; R305-D334 PolarHBondContact NH2-OD1 3.47Å; R305-D334 IonicContact NH2-OD2 3.23Å; R305-D334 PolarHBondContact NH2-OD2 3.32Å; P318-D334 HydrophobicContact CB-CB 4.39Å; P318-D334 PolarHBondContact O-N 3.18Å
335E97.6Very high95.8Very high149 Ų14944.7 Ų44.770%0.69623%0.232SC*.EExtended strand (participates in β ladder)trans-131.6148.6179.6-64.9-176.7-179.500109.8F333 V337F333-E335 VanDerWaalsContact C-N 3.3Å; F333-E335 WeakPolarHBondContact CB-O 3.44Å; E335-V337 PolarHBondContact O-N 3.35Å
336P97.2Very high96Very high60 Ų6041.7 Ų41.739%0.3922%0.216SC..EExtended strand (participates in β ladder)trans-59.7134.5178.9-23.233.8000112.9M283 S284 L366M283-P336 HydrophobicContact CB-CB 4.1Å; M283-P336 HydrophobicContact CE-CB 4.32Å; S284-P336 CarbonylContact O-C 3.53Å; S284-P336 VanDerWaalsContact O-CA 3.31Å; S284-P336 WeakPolarHBondContact O-CA 3.4Å; P336-L366 HydrophobicContact CB-CD1 4.41Å; P336-L366 HydrophobicContact CB-CD2 4.49Å; P336-L366 HydrophobicContact CG-CD1 3.95Å; P336-L366 HydrophobicContact CG-CD2 4.49Å
337V97Very high96.6Very high13 Ų1334.1 Ų34.18%0.07918%0.176CC..EExtended strand (participates in β ladder)trans-110.3130.7-177.5176.80000110.5M283 S284 I317 F333 E335 V340M283-V337 CarbonylContact C-O 3.53Å; S284-V337 PolarHBondContact N-O 2.97Å; S284-V337 PolarHBondContact O-N 2.93Å; I317-V337 HydrophobicContact CD1-CB 4.31Å; I317-V337 HydrophobicContact CD1-CG1 3.7Å; I317-V337 HydrophobicContact CD1-CG2 3.59Å; I317-V337 HydrophobicContact CG1-CG2 3.99Å; I317-V337 HydrophobicContact CG2-CG2 3.74Å; F333-V337 HydrophobicContact CB-CG2 4.17Å; F333-V337 HydrophobicContact CD1-CG2 4.39Å; F333-V337 HydrophobicContact CD2-CB 3.79Å; F333-V337 HydrophobicContact CD2-CG2 3.45Å; F333-V337 VanDerWaalsContact CD2-CG2 3.45Å; F333-V337 HydrophobicContact CE2-CB 3.83Å; F333-V337 HydrophobicContact CE2-CG2 3.89Å; F333-V337 HydrophobicContact CG-CG2 3.75Å; E335-V337 PolarHBondContact O-N 3.35Å; V337-V340 HydrophobicContact CB-CG2 4.04Å; V337-V340 HydrophobicContact CG1-CG2 3.82Å
338A94.7Very high96.9Very high14 Ų1430.7 Ų30.712%0.11616%0.157CC..EExtended strand (participates in β ladder)trans-75.7139.9177.100000112.7L282 M283 R311 V340L282-A338 HydrophobicContact CD2-CB 4.42Å; L282-A338 HydrophobicContact CG-CB 4.34Å; M283-A338 HydrophobicContact SD-CB 3.63Å; R311-A338 PolarHBondContact NH2-O 3.24Å; A338-V340 PolarHBondContact O-N 3.11Å
339A93.7Very high96.9Very high4 Ų426.1 Ų26.13%0.03314%0.14CC..THydrogen-bonded Turntrans62.237.9167.200000115.1L240 L282 T341L240-A339 HydrophobicContact CB-CB 4.45Å; L282-A339 HydrophobicContact CD1-CB 3.91Å; L282-A339 HydrophobicContact CG-CB 4.35Å; L282-A339 PolarHBondContact O-N 3.01Å; A339-T341 PolarHBondContact O-N 3.36Å; A339-T341 VanDerWaalsContact O-N 3.16Å; A339-T341 PolarHBondContact O-OG1 3.27Å
340V96Very high96.9Very high0 Ų031.1 Ų31.10%017%0.167CC..  trans-62.8114.4167.71790000108.8L287 T310 F333 V337 A338 I360 R363L287-V340 HydrophobicContact CB-CG1 3.97Å; L287-V340 HydrophobicContact CD2-CG1 3.85Å; T310-V340 HydrophobicContact CG2-CG2 4.48Å; F333-V340 HydrophobicContact CE2-CG2 3.81Å; F333-V340 HydrophobicContact CZ-CG2 4.04Å; V337-V340 HydrophobicContact CB-CG2 4.04Å; V337-V340 HydrophobicContact CG1-CG2 3.82Å; A338-V340 PolarHBondContact O-N 3.11Å; V340-I360 HydrophobicContact CG1-CD1 4.19Å; V340-I360 HydrophobicContact CG1-CG2 4.15Å; V340-R363 HydrophobicContact CB-CB 4.08Å; V340-R363 HydrophobicContact CG1-CB 3.91Å
341T94.4Very high96.8Very high11 Ų1130.9 Ų30.97%0.06718%0.179CC..  trans-113.9120.9-164.7-60.30000111.1T239 A339 Q344T239-T341 HydrophobicContact CG2-CG2 3.76Å; A339-T341 PolarHBondContact O-N 3.36Å; A339-T341 VanDerWaalsContact O-N 3.16Å; A339-T341 PolarHBondContact O-OG1 3.27Å; T341-Q344 HydrophobicContact CG2-CG 4.18Å; T341-Q344 WeakPolarHBondContact O-CB 3.43Å; T341-Q344 PolarHBondContact O-N 2.89Å
342P93.4Very high96.7Very high36 Ų3635.9 Ų35.923%0.23420%0.203CC..THydrogen-bonded Turntrans-55.8138171.2-28.637.3000113.9R94 T95 Q344 I360R94-P342 HydrophobicContact CG-CB 4.46Å; T95-P342 PolarHBondContact N-O 2.95Å; P342-Q344 VanDerWaalsContact C-N 3.32Å; P342-I360 CarbonylContact C-O 3.52Å; P342-I360 VanDerWaalsContact CA-O 3.26Å; P342-I360 WeakPolarHBondContact CA-O 3.28Å
343G93.1Very high96.7Very high2 Ų234.2 Ų34.22%0.02120%0.196CC..THydrogen-bonded Turntrans88.3-18.6-174.300000115.2T95 I360T95-G343 CarbonylContact O-C 3.59Å; G343-I360 PolarHBondContact N-O 2.99Å
344Q94.8Very high96.7Very high28 Ų2833.7 Ų33.713%0.13119%0.194CC..SBendtrans-74.2168.2167.8-70.9-70.7-5200110.3T95 T341 P342 I360T95-Q344 PolarHBondContact O-N 3Å; T95-Q344 PolarHBondContact O-NE2 3.01Å; T341-Q344 HydrophobicContact CG2-CG 4.18Å; T341-Q344 WeakPolarHBondContact O-CB 3.43Å; T341-Q344 PolarHBondContact O-N 2.89Å; P342-Q344 VanDerWaalsContact C-N 3.32Å; Q344-I360 HydrophobicContact CB-CD1 4.26Å; Q344-I360 WeakPolarHBondContact O-CB 3.16Å; Q344-I360 VanDerWaalsContact O-CG1 3.28Å; Q344-I360 WeakPolarHBondContact O-CG1 3.48Å; Q344-I360 PolarHBondContact O-N 2.77Å
345S97.4Very high96.7Very high2 Ų230.9 Ų30.91%0.01418%0.178CC..EExtended strand (participates in β ladder)trans-92.6139178.1-59.30000111.8I100 Y153 Y156 T310 G358I100-S345 WeakPolarHBondContact CD1-OG 3.44Å; Y153-S345 PolarHBondContact OH-O 3.28Å; Y156-S345 WeakPolarHBondContact CE1-OG 3.41Å; Y156-S345 PolarHBondContact OH-OG 2.86Å; T310-S345 CarbonylContact C-O 3.51Å; T310-S345 WeakPolarHBondContact CA-O 3.33Å; S345-G358 CarbonylContact C-O 3.5Å; S345-G358 VanDerWaalsContact CA-O 3.29Å; S345-G358 WeakPolarHBondContact CA-O 3.28Å
346A98.2Very high96.7Very high0 Ų023.8 Ų23.80%015%0.145CC..EExtended strand (participates in β ladder)trans-97.8112.9161.400000108L287 A289 V308 K309 F348 G357 G358 I360L287-A346 HydrophobicContact CD1-CB 4.12Å; L287-A346 HydrophobicContact CD2-CB 4.03Å; A289-A346 HydrophobicContact CB-CB 4.37Å; V308-A346 HydrophobicContact CG2-CB 3.94Å; K309-A346 WeakPolarHBondContact O-CA 3.26Å; A346-F348 HydrophobicContact CB-CE2 4.42Å; A346-F348 HydrophobicContact CB-CZ 3.9Å; A346-F348 WeakPolarHBondContact O-CE2 3.32Å; A346-G357 CarbonylContact O-C 3.41Å; A346-G357 WeakPolarHBondContact O-CA 3.38Å; A346-G358 PolarHBondContact N-O 3.09Å; A346-G358 PolarHBondContact O-N 3.13Å; A346-I360 HydrophobicContact CB-CD1 4.4Å; A346-I360 HydrophobicContact CB-CG1 3.96Å
347V98.7Very high96.8Very high0 Ų021 Ų210%013%0.127CC..EExtended strand (participates in β ladder)trans-111.9127.6-177.5-173.40000109.8Y153 Y156 V308 K309 Y349 G356Y153-V347 HydrophobicContact CD2-CB 3.96Å; Y153-V347 HydrophobicContact CD2-CG2 3.5Å; Y153-V347 VanDerWaalsContact CD2-CG2 3.5Å; Y153-V347 HydrophobicContact CE2-CB 4.32Å; Y153-V347 HydrophobicContact CE2-CG2 3.62Å; Y153-V347 HydrophobicContact CG-CG2 4.2Å; Y156-V347 HydrophobicContact CD1-CG2 3.54Å; Y156-V347 HydrophobicContact CE1-CG2 4.08Å; Y156-V347 HydrophobicContact CG-CG1 4.23Å; Y156-V347 HydrophobicContact CG-CG2 3.91Å; V308-V347 CarbonylContact C-O 3.47Å; V308-V347 VanDerWaalsContact CA-O 3.28Å; V308-V347 WeakPolarHBondContact CA-O 3.32Å; K309-V347 PolarHBondContact N-O 2.91Å; K309-V347 PolarHBondContact O-N 3.48Å; V347-Y349 HydrophobicContact CB-CE2 3.92Å; V347-Y349 HydrophobicContact CG1-CD2 4.44Å; V347-Y349 HydrophobicContact CG1-CE1 4.45Å; V347-Y349 HydrophobicContact CG1-CE2 3.55Å; V347-Y349 WeakPolarHBondContact CG1-OH 3.46Å; V347-Y349 WeakPolarHBondContact O-CD2 3.48Å; V347-Y349 WeakPolarHBondContact O-CE2 3.38Å; V347-G356 WeakPolarHBondContact CG1-O 3.47Å
348F98.6Very high96.8Very high0 Ų020.3 Ų20.30%012%0.123CC..EExtended strand (participates in β ladder)trans-104.9142.5-170.6-53-75.8000112.3W294 T307 V308 V321 I329 V331 A346 L355 G356W294-F348 AromaticContact CH2-CD2 3.68Å; W294-F348 HydrophobicContact CH2-CD2 3.68Å; W294-F348 HydrophobicContact CH2-CE2 4.17Å; W294-F348 HydrophobicContact CH2-CG 4.28Å; W294-F348 HydrophobicContact CZ3-CB 4.27Å; W294-F348 AromaticContact CZ3-CD2 3.87Å; W294-F348 HydrophobicContact CZ3-CD2 3.87Å; W294-F348 HydrophobicContact CZ3-CG 4.36Å; T307-F348 CarbonylContact O-C 3.51Å; T307-F348 WeakPolarHBondContact O-CA 3.37Å; V308-F348 HydrophobicContact CB-CD1 3.88Å; V308-F348 HydrophobicContact CB-CE1 3.98Å; V308-F348 HydrophobicContact CG2-CD1 3.8Å; V308-F348 HydrophobicContact CG2-CE1 3.58Å; V308-F348 HydrophobicContact CG2-CZ 4.31Å; V321-F348 HydrophobicContact CG2-CD1 3.72Å; V321-F348 HydrophobicContact CG2-CE1 3.66Å; V321-F348 HydrophobicContact CG2-CZ 4.5Å; I329-F348 HydrophobicContact CD1-CD2 4.41Å; I329-F348 HydrophobicContact CD1-CE1 4.34Å; I329-F348 HydrophobicContact CD1-CE2 3.37Å; I329-F348 HydrophobicContact CD1-CZ 3.33Å; V331-F348 HydrophobicContact CG1-CE1 4.13Å; V331-F348 HydrophobicContact CG2-CE1 3.66Å; V331-F348 HydrophobicContact CG2-CZ 3.71Å; A346-F348 HydrophobicContact CB-CE2 4.42Å; A346-F348 HydrophobicContact CB-CZ 3.9Å; A346-F348 WeakPolarHBondContact O-CE2 3.32Å; F348-L355 HydrophobicContact CB-CB 4.29Å; F348-L355 HydrophobicContact CB-CD1 4.29Å; F348-L355 PolarHBondContact O-N 2.83Å; F348-G356 PolarHBondContact N-O 3.45Å
349Y98.6Very high96.9Very high0 Ų021.1 Ų21.10%013%0.125CC..EExtended strand (participates in β ladder)trans-137.1144.1-176.2-60.4-93.5000112.5R143 S152 Y153 C306 T307 K309 V347 V353 C354R143-Y349 HydrophobicContact CG-CD1 4.24Å; R143-Y349 HydrophobicContact CG-CE1 4.12Å; S152-Y349 WeakPolarHBondContact OG-CE1 3.26Å; S152-Y349 PolarHBondContact OG-OH 3.34Å; Y153-Y349 WeakPolarHBondContact CA-OH 3.41Å; Y153-Y349 PolarHBondContact N-OH 3.47Å; Y153-Y349 VanDerWaalsContact N-OH 3.16Å; C306-Y349 VanDerWaalsContact CB-O 3.31Å; C306-Y349 WeakPolarHBondContact CB-O 3.41Å; T307-Y349 PolarHBondContact N-O 3.27Å; T307-Y349 PolarHBondContact O-N 2.89Å; T307-Y349 PolarHBondContact OG1-O 3.17Å; K309-Y349 HydrophobicContact CB-CE2 4.43Å; K309-Y349 HydrophobicContact CD-CE2 4.18Å; K309-Y349 HydrophobicContact CG-CE2 4.09Å; V347-Y349 HydrophobicContact CB-CE2 3.92Å; V347-Y349 HydrophobicContact CG1-CD2 4.44Å; V347-Y349 HydrophobicContact CG1-CE1 4.45Å; V347-Y349 HydrophobicContact CG1-CE2 3.55Å; V347-Y349 WeakPolarHBondContact CG1-OH 3.46Å; V347-Y349 WeakPolarHBondContact O-CD2 3.48Å; V347-Y349 WeakPolarHBondContact O-CE2 3.38Å; Y349-V353 CarbonylContact C-O 3.55Å; Y349-V353 WeakPolarHBondContact CA-O 3.43Å; Y349-C354 HydrophobicContact CD1-CB 3.98Å; Y349-C354 HydrophobicContact CE1-CB 3.71Å
350N97.9Very high97.1Very high107 Ų10720.9 Ų20.957%0.57212%0.123SC*.EExtended strand (participates in β ladder)trans-115.995.6164.4-173.93.8000108.6E352 V353 L355N350-E352 PolarHBondContact O-N 3.23Å; N350-V353 PolarHBondContact N-O 3.34Å; N350-V353 PolarHBondContact O-N 3.14Å; N350-L355 HydrophobicContact CB-CD1 4.21Å; N350-L355 HydrophobicContact CB-CD2 4.01Å; N350-L355 HydrophobicContact CB-CG 4.32Å
351G97.2Very high97.1Very high51 Ų5124.1 Ų24.153%0.52614%0.138SC..THydrogen-bonded Turntrans58.8-117.6-16900000111R143R143-G351 PolarHBondContact NE-O 3.32Å; R143-G351 VanDerWaalsContact NE-O 3.07Å
352E97.5Very high97.1Very high105 Ų10528.8 Ų28.849%0.49116%0.159SC..THydrogen-bonded Turntrans-80.8-16.6179.1-57.4-169149.300113.7R131 L142 R143 N350R131-E352 IonicContact CZ-OE2 3.56Å; R131-E352 IonicContact NH1-OE2 3.91Å; R131-E352 IonicContact NH2-OE1 3.92Å; R131-E352 PolarHBondContact NH2-OE1 3.41Å; R131-E352 IonicContact NH2-OE2 3.45Å; R131-E352 PolarHBondContact NH2-OE2 2.95Å; L142-E352 CarbonylContact C-O 3.57Å; L142-E352 VanDerWaalsContact CA-O 3.29Å; L142-E352 WeakPolarHBondContact CA-O 3.45Å; R143-E352 PolarHBondContact N-O 3.44Å; N350-E352 PolarHBondContact O-N 3.23Å
353V98.4Very high97.2Very high33 Ų3327.9 Ų27.920%0.215%0.151CC..EExtended strand (participates in β ladder)trans-81.3121.8-175.8-173.70000109.7R140 L142 Y349 N350 L355R140-V353 HydrophobicContact CB-CG1 4.47Å; L142-V353 HydrophobicContact CD2-CB 4.11Å; L142-V353 HydrophobicContact CD2-CG1 4.43Å; L142-V353 HydrophobicContact CD2-CG2 3.63Å; Y349-V353 CarbonylContact C-O 3.55Å; Y349-V353 WeakPolarHBondContact CA-O 3.43Å; N350-V353 PolarHBondContact N-O 3.34Å; N350-V353 PolarHBondContact O-N 3.14Å; V353-L355 HydrophobicContact CG1-CD2 4.2Å; V353-L355 PolarHBondContact O-N 3.01Å
354C98.5Very high97.4Very high1 Ų129.6 Ų29.61%0.00716%0.16CC..EExtended strand (participates in β ladder)trans-76.9116.7165-173.70000108.3L141 Y349L141-C354 HydrophobicContact CB-CB 4.08Å; L141-C354 HydrophobicContact CD2-CB 3.86Å; L141-C354 HydrophobicContact CG-CB 3.9Å; L141-C354 WeakPolarHBondContact O-CB 3.36Å; L141-C354 PolarHBondContact O-N 3.33Å; Y349-C354 HydrophobicContact CD1-CB 3.98Å; Y349-C354 HydrophobicContact CE1-CB 3.71Å
355L98.1Very high97.5Very high33 Ų3331.4 Ų31.417%0.17317%0.174CC..EExtended strand (participates in β ladder)trans-80.5-31.4-179.6-57.5175.8000111W294 V295 M304 C306 F348 N350 V353W294-L355 HydrophobicContact CE3-CB 4.11Å; W294-L355 HydrophobicContact CZ3-CB 3.92Å; V295-L355 PolarHBondContact N-O 2.8Å; M304-L355 HydrophobicContact SD-CD1 3.56Å; M304-L355 VanDerWaalsContact SD-CD1 3.56Å; C306-L355 HydrophobicContact CB-CD1 4.26Å; F348-L355 HydrophobicContact CB-CB 4.29Å; F348-L355 HydrophobicContact CB-CD1 4.29Å; F348-L355 PolarHBondContact O-N 2.83Å; N350-L355 HydrophobicContact CB-CD1 4.21Å; N350-L355 HydrophobicContact CB-CD2 4.01Å; N350-L355 HydrophobicContact CB-CG 4.32Å; V353-L355 HydrophobicContact CG1-CD2 4.2Å; V353-L355 PolarHBondContact O-N 3.01Å
356G98.1Very high97.4Very high0 Ų033.6 Ų33.60%019%0.185CC..EExtended strand (participates in β ladder)trans137.6-157.7-170.700000110.8H293 V347 F348H293-G356 CarbonylContact O-C 3.53Å; H293-G356 WeakPolarHBondContact O-CA 3.42Å; V347-G356 WeakPolarHBondContact CG1-O 3.47Å; F348-G356 PolarHBondContact N-O 3.45Å
357G98Very high96.9Very high0 Ų038.8 Ų38.80%022%0.219CC..EExtended strand (participates in β ladder)trans-177.4-176.9-176.500000113.4Y156 H293 A346Y156-G357 WeakPolarHBondContact CE2-O 3.26Å; H293-G357 PolarHBondContact N-O 3.32Å; H293-G357 PolarHBondContact O-N 3.24Å; A346-G357 CarbonylContact O-C 3.41Å; A346-G357 WeakPolarHBondContact O-CA 3.38Å
358G97.4Very high95.9Very high0 Ų046 Ų460%026%0.263CS..EExtended strand (participates in β ladder)trans-152.3172.2176.100000111.5Q290 S345 A346Q290-G358 CarbonylContact O-C 3.53Å; Q290-G358 WeakPolarHBondContact O-CA 3.3Å; S345-G358 CarbonylContact C-O 3.5Å; S345-G358 VanDerWaalsContact CA-O 3.29Å; S345-G358 WeakPolarHBondContact CA-O 3.28Å; A346-G358 PolarHBondContact N-O 3.09Å; A346-G358 PolarHBondContact O-N 3.13Å
359I97.2Very high95.8Very high30 Ų3048.3 Ų48.315%0.15428%0.276CS..EExtended strand (participates in β ladder)trans-83.9131.2173-55.8-56.4000108.8A289 Q290 Q291 E361A289-I359 CarbonylContact C-O 3.56Å; A289-I359 VanDerWaalsContact CA-O 3.25Å; A289-I359 WeakPolarHBondContact CA-O 3.25Å; Q290-I359 PolarHBondContact N-O 3.21Å; Q290-I359 PolarHBondContact O-N 3.06Å; Q291-I359 HydrophobicContact CB-CG1 4.21Å; I359-E361 PolarHBondContact O-N 3.18Å
360I97.6Very high95.6Very high0 Ų050.8 Ų50.80%029%0.29CS..EExtended strand (participates in β ladder)trans-66.7108.3175.4-59.1175.8000107.5L287 T310 V340 P342 G343 Q344 A346L287-I360 HydrophobicContact CB-CG2 4.26Å; L287-I360 HydrophobicContact CD2-CD1 3.86Å; L287-I360 HydrophobicContact CD2-CG1 3.96Å; L287-I360 HydrophobicContact CD2-CG2 4.48Å; T310-I360 HydrophobicContact CG2-CD1 4.33Å; V340-I360 HydrophobicContact CG1-CD1 4.19Å; V340-I360 HydrophobicContact CG1-CG2 4.15Å; P342-I360 CarbonylContact C-O 3.52Å; P342-I360 VanDerWaalsContact CA-O 3.26Å; P342-I360 WeakPolarHBondContact CA-O 3.28Å; G343-I360 PolarHBondContact N-O 2.99Å; Q344-I360 HydrophobicContact CB-CD1 4.26Å; Q344-I360 WeakPolarHBondContact O-CB 3.16Å; Q344-I360 VanDerWaalsContact O-CG1 3.28Å; Q344-I360 WeakPolarHBondContact O-CG1 3.48Å; Q344-I360 PolarHBondContact O-N 2.77Å; A346-I360 HydrophobicContact CB-CD1 4.4Å; A346-I360 HydrophobicContact CB-CG1 3.96Å
361E95.7Very high95.5Very high68 Ų6847.7 Ų47.732%0.31828%0.275SS..EExtended strand (participates in β ladder)trans-74.2-50.1174.4179.6178.9-160.200109.1I288 Q290 R328 I359I288-E361 WeakPolarHBondContact CG2-OE2 3.19Å; I288-E361 PolarHBondContact O-N 2.67Å; Q290-E361 HydrophobicContact CG-CB 4.06Å; Q290-E361 VanDerWaalsContact OE1-CD 3.26Å; R328-E361 WeakPolarHBondContact CD-OE2 3.12Å; I359-E361 PolarHBondContact O-N 3.18Å
362Q95Very high95.4Very high109 Ų10947.5 Ų47.551%0.50926%0.26SS..EExtended strand (participates in β ladder)trans-148.4142-172.3173.8171.8800110.5L287 I288L287-Q362 CarbonylContact C-O 3.58Å; L287-Q362 VanDerWaalsContact CA-O 3.29Å; L287-Q362 WeakPolarHBondContact CA-O 3.36Å; L287-Q362 WeakPolarHBondContact CB-O 3.49Å; I288-Q362 PolarHBondContact N-O 3.32Å; I288-Q362 PolarHBondContact O-N 2.71Å
363R95.9Very high95.3Very high17 Ų1743.9 Ų43.96%0.06425%0.245CC..EExtended strand (participates in β ladder)trans-83147.7166.170.5-177.5-174.8141.3-5.7110.3V262 D263 R281 V340 P365V262-R363 PolarHBondContact O-NH2 3.16Å; D263-R363 IonicContact OD2-CZ 2.61Å; D263-R363 IonicContact OD2-NH2 3.79Å; D263-R363 PolarHBondContact OD2-NH2 2.94Å; R281-R363 PolarHBondContact O-NH1 3.27Å; R281-R363 PolarHBondContact O-NH2 3.21Å; V340-R363 HydrophobicContact CB-CB 4.08Å; V340-R363 HydrophobicContact CG1-CB 3.91Å; R363-P365 HydrophobicContact CG-CG 4.35Å; R363-P365 VanDerWaalsContact O-CD 3.32Å; R363-P365 WeakPolarHBondContact O-CD 3.26Å
364L97.4Very high95.1Very high37 Ų3744.7 Ų44.719%0.19425%0.248CC..EExtended strand (participates in β ladder)trans-9899.6168.3-57.3178.3000107.8S284 V285 G286 I288 E330 I332S284-L364 CarbonylContact C-O 3.42Å; S284-L364 WeakPolarHBondContact CA-O 3.38Å; S284-L364 VanDerWaalsContact CB-O 3.29Å; S284-L364 WeakPolarHBondContact CB-O 3.47Å; V285-L364 HydrophobicContact CG2-CB 4.21Å; V285-L364 PolarHBondContact N-O 3.43Å; G286-L364 PolarHBondContact N-O 3.46Å; G286-L364 PolarHBondContact O-N 2.96Å; I288-L364 HydrophobicContact CD1-CD1 4.35Å; I288-L364 HydrophobicContact CD1-CD2 4.37Å; I288-L364 HydrophobicContact CG1-CD2 4.18Å; E330-L364 HydrophobicContact CG-CD1 4.28Å; I332-L364 HydrophobicContact CD1-CD1 3.75Å
365P95.5Very high94.8Very high66 Ų6647.8 Ų47.843%0.42927%0.266SS..EExtended strand (participates in β ladder)trans-64.4151.3-172.5-19.333.3000111.9R363 P367R363-P365 HydrophobicContact CG-CG 4.35Å; R363-P365 VanDerWaalsContact O-CD 3.32Å; R363-P365 WeakPolarHBondContact O-CD 3.26Å; P365-P367 WeakPolarHBondContact O-CD 3.2Å
366L95.1Very high94.6Very high49 Ų4948.9 Ų48.926%0.25727%0.273SS..PPolyproline II helixtrans-62.3126.3166.6-177.467.3000108.9P280 M283 V285 P336 V368P280-L366 HydrophobicContact CB-CD2 4.42Å; M283-L366 HydrophobicContact CB-CB 3.93Å; M283-L366 HydrophobicContact CB-CD2 3.93Å; M283-L366 HydrophobicContact CG-CD2 4.47Å; M283-L366 PolarHBondContact O-N 2.93Å; M283-L366 VanDerWaalsContact O-N 3.09Å; V285-L366 HydrophobicContact CG1-CB 4.36Å; V285-L366 HydrophobicContact CG1-CD1 3.5Å; V285-L366 VanDerWaalsContact CG1-CD1 3.5Å; P336-L366 HydrophobicContact CB-CD1 4.41Å; P336-L366 HydrophobicContact CB-CD2 4.49Å; P336-L366 HydrophobicContact CG-CD1 3.95Å; P336-L366 HydrophobicContact CG-CD2 4.49Å; L366-V368 PolarHBondContact O-N 2.71Å
367P88Confident94.3Very high109 Ų10953 Ų5371%0.70830%0.296SS*.PPolyproline II helixtrans-59.7130.5172.9-22.834.2000110.1P365P365-P367 WeakPolarHBondContact O-CD 3.2Å
368V78.8Confident94Very high151 Ų15157.8 Ų57.892%0.91532%0.322SS*.  trans-107.60178.7-171.30000109.9P280 L366P280-V368 HydrophobicContact CB-CG1 4.33Å; P280-V368 HydrophobicContact CB-CG2 3.64Å; L366-V368 PolarHBondContact O-N 2.71Å

Retrieved 368 of 368 residues in 79.5 ms (Link to these results)

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