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UTP--glucose-1-phosphate uridylyltransferase

Catalyzes the formation of UDP-glucose from glucose-1-phosphate and UTP. This is an intermediate step in the biosynthesis of diglucosyl-diacylglycerol (Glc2-DAG), i.e. the predominant glycolipid found in the S.aureus membrane, which is also used as a membrane anchor for lipoteichoic acid (LTA) (By similarity).

AlphaFold DB (Q2G1T6), UniProt , Accession Q99RD4, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene gtaB, Length 288 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
1M79.9Confident94.5Very high144 Ų14445.5 Ų45.571%0.70921%0.209SC*.  0156.90-78.2135.360.500110.3Y149 E150 G153M1-Y149 HydrophobicContact CE-CE1 4.42Å; M1-Y149 WeakPolarHBondContact CE-O 3.07Å; M1-E150 VanDerWaalsContact CE-C 3.45Å; M1-E150 WeakPolarHBondContact CE-O 3.46Å; M1-G153 VanDerWaalsContact CE-CA 3.42Å
2K85.9Confident94.2Very high108 Ų10842.2 Ų42.247%0.4720%0.195SC..  trans-75.9135.6174.2-68.3-172.6180-175.60109.3N123 E124 P125 Y149K2-N123 PolarHBondContact NZ-O 3.11Å; K2-E124 HydrophobicContact CD-CG 4.15Å; K2-P125 HydrophobicContact CB-CG 4.01Å; K2-P125 WeakPolarHBondContact O-CG 3.28Å; K2-Y149 WeakPolarHBondContact O-CE1 3.35Å; K2-Y149 PolarHBondContact O-OH 2.9Å
3K92.4Very high93.8Very high120 Ų12041.5 Ų41.552%0.52221%0.207SC..  trans-66.3140.1173.4-171.7-179.3-179.9-167.60109.8K5K3-K5 HydrophobicContact CG-CG 4.49Å; K3-K5 PolarHBondContact O-N 2.65Å
4I97.5Very high93.3Very high4 Ų446.1 Ų46.12%0.02123%0.232CC..  trans-77.5114.1173.5-67164000108.3I50 P125 A127 I146 Y149 V208I4-I50 HydrophobicContact CG2-CG1 4.49Å; I4-P125 HydrophobicContact CD1-CB 4.47Å; I4-P125 HydrophobicContact CG1-CB 3.84Å; I4-P125 HydrophobicContact CG1-CG 3.84Å; I4-A127 HydrophobicContact CG2-CB 4.46Å; I4-I146 HydrophobicContact CB-CD1 4.37Å; I4-I146 HydrophobicContact CB-CG1 4.23Å; I4-I146 HydrophobicContact CD1-CB 4.29Å; I4-I146 HydrophobicContact CD1-CG1 3.75Å; I4-I146 HydrophobicContact CD1-CG2 4.22Å; I4-I146 HydrophobicContact CG2-CD1 4.12Å; I4-I146 HydrophobicContact CG2-CG1 4.21Å; I4-Y149 HydrophobicContact CD1-CD1 3.33Å; I4-Y149 HydrophobicContact CD1-CE1 3.8Å; I4-Y149 HydrophobicContact CD1-CG 3.79Å; I4-Y149 HydrophobicContact CG1-CD1 3.98Å; I4-Y149 HydrophobicContact CG1-CE1 3.94Å; I4-V208 HydrophobicContact CD1-CB 4.3Å; I4-V208 HydrophobicContact CD1-CG1 3.25Å; I4-V208 HydrophobicContact CD1-CG2 4.07Å
5K97.1Very high93.1Very high75 Ų7543.9 Ų43.933%0.32623%0.225SC..  trans-119.1-12.6-179.6-67.8-179.2160.2-1180113.4K3 I50 E51 D52K3-K5 HydrophobicContact CG-CG 4.49Å; K3-K5 PolarHBondContact O-N 2.65Å; K5-I50 WeakPolarHBondContact O-CG2 3.44Å; K5-E51 IonicContact NZ-OE1 3.31Å; K5-E51 PolarHBondContact NZ-OE1 3.12Å; K5-E51 IonicContact NZ-OE2 2.66Å; K5-E51 PolarHBondContact NZ-OE2 3.41Å; K5-E51 PolarHBondContact O-N 3.33Å; K5-D52 PolarHBondContact O-N 3.46Å
6K98.5Very high93Very high33 Ų3346.7 Ų46.714%0.14325%0.245CC..EExtended strand (participates in β ladder)trans-118.3142.5-172.3-58.5-173.9177.9167.80110.9D52 I54 F120 I121 E124 F126 A127K6-D52 CarbonylContact C-O 3.47Å; K6-D52 VanDerWaalsContact CA-O 3.23Å; K6-D52 WeakPolarHBondContact CA-O 3.44Å; K6-D52 HydrophobicContact CG-CB 4.18Å; K6-I54 HydrophobicContact CB-CD1 4.33Å; K6-F120 PolarHBondContact NZ-O 2.98Å; K6-I121 HydrophobicContact CB-CD1 3.85Å; K6-I121 HydrophobicContact CD-CD1 4.11Å; K6-I121 PolarHBondContact NZ-O 3.42Å; K6-E124 WeakPolarHBondContact CE-OE2 2.78Å; K6-E124 IonicContact NZ-OE2 3.99Å; K6-E124 PolarHBondContact NZ-OE2 2.88Å; K6-F126 HydrophobicContact CB-CB 4.27Å; K6-F126 CarbonylContact O-C 3.52Å; K6-F126 VanDerWaalsContact O-CA 3.3Å; K6-F126 WeakPolarHBondContact O-CA 3.3Å; K6-F126 WeakPolarHBondContact O-CB 3.48Å; K6-A127 PolarHBondContact O-N 2.81Å
7A98.6Very high92.9Very high0 Ų051.5 Ų51.50%026%0.259CS..EExtended strand (participates in β ladder)trans-130.4151.6169.400000112.3I50 D52 I53 I54 A127 L129A7-I50 HydrophobicContact CB-CD1 4.02Å; A7-I50 HydrophobicContact CB-CG2 3.76Å; A7-D52 PolarHBondContact N-O 2.95Å; A7-I53 HydrophobicContact CB-CG1 4.48Å; A7-I54 VanDerWaalsContact O-CD1 3.29Å; A7-I54 WeakPolarHBondContact O-CD1 3.47Å; A7-I54 PolarHBondContact O-N 3.02Å; A7-A127 CarbonylContact C-O 3.59Å; A7-A127 WeakPolarHBondContact CA-O 3.09Å; A7-A127 HydrophobicContact CB-CB 4Å; A7-L129 HydrophobicContact CB-CD1 3.77Å
8I98.6Very high93Very high0 Ų050 Ų500%025%0.251CS..EExtended strand (participates in β ladder)trans-110.3129.4168-61.1170.8000109.1I54 V56 I114 A117 I121 F126 A127 V128 L129 F214I8-I54 CarbonylContact C-O 3.58Å; I8-I54 VanDerWaalsContact CA-O 3.3Å; I8-I54 WeakPolarHBondContact CA-O 3.29Å; I8-I54 HydrophobicContact CG1-CB 4.39Å; I8-V56 HydrophobicContact CG2-CG2 3.7Å; I8-I114 HydrophobicContact CB-CD1 4.3Å; I8-I114 HydrophobicContact CD1-CG2 3.96Å; I8-I114 HydrophobicContact CG2-CD1 3.67Å; I8-A117 HydrophobicContact CD1-CB 3.6Å; I8-A117 HydrophobicContact CG1-CB 4.03Å; I8-I121 HydrophobicContact CD1-CD1 4.06Å; I8-I121 HydrophobicContact CD1-CG1 3.76Å; I8-I121 HydrophobicContact CG1-CD1 3.91Å; I8-I121 HydrophobicContact CG1-CG1 4.18Å; I8-F126 HydrophobicContact CD1-CD2 3.78Å; I8-F126 HydrophobicContact CD1-CE2 3.6Å; I8-F126 HydrophobicContact CD1-CZ 4.48Å; I8-F126 HydrophobicContact CG1-CD2 4.13Å; I8-F126 HydrophobicContact CG1-CE2 4.39Å; I8-A127 PolarHBondContact N-O 3.05Å; I8-V128 HydrophobicContact CB-CG2 4.4Å; I8-V128 WeakPolarHBondContact O-CA 3.33Å; I8-L129 PolarHBondContact O-N 3.32Å; I8-F214 HydrophobicContact CD1-CZ 4.44Å
9I98.3Very high93Very high0 Ų052.1 Ų52.10%026%0.262CS..EExtended strand (participates in β ladder)trans-112.4102169.5-58.5176.6000108.2A11 I38 I41 V42 I53 I54 I55 V56 L129I9-A11 PolarHBondContact O-N 3.26Å; I9-I38 HydrophobicContact CG2-CD1 4.24Å; I9-I38 HydrophobicContact CG2-CG1 4.34Å; I9-I41 HydrophobicContact CD1-CB 4.28Å; I9-I41 HydrophobicContact CD1-CG2 3.78Å; I9-I41 HydrophobicContact CG1-CG2 4.12Å; I9-I41 HydrophobicContact CG2-CG2 4.38Å; I9-V42 HydrophobicContact CD1-CG2 3.63Å; I9-I53 HydrophobicContact CD1-CG2 3.61Å; I9-I53 HydrophobicContact CG1-CG2 4.01Å; I9-I54 PolarHBondContact N-O 3.02Å; I9-I55 HydrophobicContact CB-CG1 4.39Å; I9-I55 WeakPolarHBondContact O-CA 3.4Å; I9-V56 PolarHBondContact O-N 3.14Å; I9-L129 WeakPolarHBondContact CA-O 3.4Å; I9-L129 HydrophobicContact CG1-CB 4.45Å
10P97Very high93.1Very high17 Ų1755.2 Ų55.211%0.1129%0.286CS..EExtended strand (participates in β ladder)trans-71.4113.3173.929.4-32.2000110L110 A113 I114 V128 L129 L130P10-L110 HydrophobicContact CB-CD1 3.89Å; P10-L110 HydrophobicContact CG-CD1 3.59Å; P10-A113 HydrophobicContact CB-CB 4.12Å; P10-I114 HydrophobicContact CB-CD1 4.32Å; P10-I114 HydrophobicContact CG-CD1 4.15Å; P10-V128 HydrophobicContact CG-CG1 4.42Å; P10-L129 WeakPolarHBondContact CD-O 3.46Å; P10-L130 HydrophobicContact CG-CD2 3.57Å
11A95.7Very high93Very high0 Ų055.1 Ų55.10%029%0.293CS..EExtended strand (participates in β ladder)trans-129.938.4179.800000109.9I9 E28 I38 I55 V56 K61 I64I9-A11 PolarHBondContact O-N 3.26Å; A11-E28 WeakPolarHBondContact CA-OE1 3.3Å; A11-E28 HydrophobicContact CB-CG 3.82Å; A11-I38 HydrophobicContact CB-CD1 4.11Å; A11-I55 HydrophobicContact CB-CG2 3.85Å; A11-V56 CarbonylContact C-O 3.51Å; A11-V56 WeakPolarHBondContact CA-O 3.48Å; A11-V56 PolarHBondContact N-O 3.17Å; A11-K61 WeakPolarHBondContact O-CD 3.1Å; A11-K61 WeakPolarHBondContact O-CE 3.49Å; A11-K61 PolarHBondContact O-NZ 2.86Å; A11-I64 HydrophobicContact CB-CD1 4.01Å
12A91Very high93.5Very high5 Ų548.9 Ų48.94%0.04126%0.264CS..  trans-101.9-5.7-174.700000114.3V56 Q104 Q107A12-V56 PolarHBondContact N-O 3.16Å; A12-V56 VanDerWaalsContact N-O 3.17Å; A12-Q104 HydrophobicContact CB-CB 3.83Å; A12-Q104 HydrophobicContact CB-CG 4.38Å; A12-Q107 PolarHBondContact O-NE2 3.44Å
13G89.1Confident93.7Very high34 Ų3452.5 Ų52.535%0.35128%0.279SS..  trans-67.3156.8-177.400000114G15 K61G13-G15 VanDerWaalsContact C-N 3.31Å; G13-G15 PolarHBondContact O-N 3.28Å; G13-K61 WeakPolarHBondContact O-CE 3.49Å; G13-K61 PolarHBondContact O-NZ 3.21Å
14L87Confident93.5Very high106 Ų10651.3 Ų51.356%0.55529%0.292SS*.  trans-75.4-16.4178.7-64.2175.9000114.1T16L14-T16 VanDerWaalsContact C-N 3.31Å; L14-T16 HydrophobicContact CB-CG2 3.91Å; L14-T16 HydrophobicContact CD1-CG2 4.39Å; L14-T16 PolarHBondContact O-N 2.84Å
15G90.3Very high93.2Very high12 Ų1254.5 Ų54.512%0.12431%0.308CS..  trans59.140.5-175.900000113.1G13 R17 F18 T22G13-G15 VanDerWaalsContact C-N 3.31Å; G13-G15 PolarHBondContact O-N 3.28Å; G15-R17 PolarHBondContact O-N 2.89Å; G15-R17 VanDerWaalsContact O-N 3.1Å; G15-F18 PolarHBondContact O-N 3.13Å; G15-T22 WeakPolarHBondContact O-CB 3.4Å; G15-T22 PolarHBondContact O-OG1 3.47Å
16T91Very high93Very high89 Ų8951.4 Ų51.455%0.54630%0.295SS..G310 helixtrans-55.2-31.9-172.850.20000113.6L14 F18 L19L14-T16 VanDerWaalsContact C-N 3.31Å; L14-T16 HydrophobicContact CB-CG2 3.91Å; L14-T16 HydrophobicContact CD1-CG2 4.39Å; L14-T16 PolarHBondContact O-N 2.84Å; T16-F18 PolarHBondContact O-N 3.41Å; T16-L19 HydrophobicContact CG2-CD1 4.28Å; T16-L19 WeakPolarHBondContact O-CB 3.28Å; T16-L19 PolarHBondContact O-N 3.44Å; T16-L19 VanDerWaalsContact O-N 3.1Å
17R92.2Very high92.8Very high129 Ų12951.6 Ų51.649%0.48730%0.296SS..G310 helixtrans-57.3-29.8175.3-68.1170.1175.5123.3-4.4113.4G15 G256 E257 K258G15-R17 PolarHBondContact O-N 2.89Å; G15-R17 VanDerWaalsContact O-N 3.1Å; R17-G256 WeakPolarHBondContact CD-O 3.41Å; R17-E257 VanDerWaalsContact CD-CD 3.48Å; R17-E257 WeakPolarHBondContact CD-OE1 3.48Å; R17-E257 VanDerWaalsContact CD-OE2 3.28Å; R17-E257 WeakPolarHBondContact CD-OE2 3.43Å; R17-E257 IonicContact CZ-OE1 2.73Å; R17-E257 IonicContact NE-OE1 2.69Å; R17-E257 PolarHBondContact NE-OE1 3.16Å; R17-E257 IonicContact NE-OE2 3.02Å; R17-E257 PolarHBondContact NE-OE2 3.32Å; R17-E257 IonicContact NH2-OE1 2.78Å; R17-E257 PolarHBondContact NH2-OE1 2.75Å; R17-K258 WeakPolarHBondContact O-CE 3.35Å
18F93.6Very high92.6Very high24 Ų2451.7 Ų51.711%0.10530%0.296CS..G310 helixtrans-103.515.1-180-73.5-92.1000113.1G15 T16 A21 T22 L30 G256 K258 F261G15-F18 PolarHBondContact O-N 3.13Å; T16-F18 PolarHBondContact O-N 3.41Å; F18-A21 WeakPolarHBondContact O-CB 3.38Å; F18-A21 PolarHBondContact O-N 2.97Å; F18-T22 VanDerWaalsContact C-OG1 3.25Å; F18-T22 HydrophobicContact CB-CG2 3.45Å; F18-T22 VanDerWaalsContact CB-CG2 3.45Å; F18-T22 PolarHBondContact O-N 3.03Å; F18-T22 PolarHBondContact O-OG1 2.88Å; F18-L30 HydrophobicContact CB-CD1 4.16Å; F18-L30 HydrophobicContact CD1-CD1 3.61Å; F18-L30 HydrophobicContact CD2-CD1 4.03Å; F18-L30 HydrophobicContact CE1-CD1 3.9Å; F18-L30 HydrophobicContact CE2-CD1 4.28Å; F18-L30 HydrophobicContact CG-CD1 3.68Å; F18-L30 HydrophobicContact CZ-CD1 4.23Å; F18-G256 WeakPolarHBondContact CE2-O 3.38Å; F18-K258 HydrophobicContact CD1-CG 4.43Å; F18-K258 HydrophobicContact CE1-CG 4.18Å; F18-K258 HydrophobicContact CZ-CG 4.37Å; F18-F261 HydrophobicContact CE1-CB 4.1Å; F18-F261 HydrophobicContact CE1-CD1 4.17Å; F18-F261 HydrophobicContact CE1-CD2 4.49Å; F18-F261 AromaticContact CE1-CG 3.99Å; F18-F261 HydrophobicContact CE1-CG 3.99Å; F18-F261 HydrophobicContact CZ-CB 3.7Å; F18-F261 HydrophobicContact CZ-CD2 4.38Å; F18-F261 AromaticContact CZ-CG 3.98Å; F18-F261 HydrophobicContact CZ-CG 3.98Å
19L93.3Very high92.4Very high89 Ų8953 Ų5347%0.46630%0.303SS..THydrogen-bonded Turntrans-62144.2169.2-74.5170.3000110.3T16 T22 K23T16-L19 HydrophobicContact CG2-CD1 4.28Å; T16-L19 WeakPolarHBondContact O-CB 3.28Å; T16-L19 PolarHBondContact O-N 3.44Å; T16-L19 VanDerWaalsContact O-N 3.1Å; L19-T22 PolarHBondContact N-OG1 3.33Å; L19-K23 HydrophobicContact CD2-CB 4.12Å
20P94.1Very high92.3Very high114 Ų11453.8 Ų53.874%0.7431%0.307SS*.THydrogen-bonded Turncis-85.6-5.2534.5-36.5000115.4T22 K23P20-T22 VanDerWaalsContact C-N 3.28Å; P20-T22 PolarHBondContact O-N 2.78Å; P20-K23 WeakPolarHBondContact O-CB 3.3Å; P20-K23 PolarHBondContact O-N 3.42Å; P20-K23 VanDerWaalsContact O-N 3.09Å
21A91.5Very high92.2Very high54 Ų5455.6 Ų55.645%0.44632%0.319SS..G310 helixtrans-58-41.3-176.400000112.1F18 K23 A24 M25F18-A21 WeakPolarHBondContact O-CB 3.38Å; F18-A21 PolarHBondContact O-N 2.97Å; A21-K23 PolarHBondContact O-N 3.47Å; A21-K23 VanDerWaalsContact O-N 3.1Å; A21-A24 PolarHBondContact O-N 3.11Å; A21-M25 PolarHBondContact O-N 3.36Å
22T91.6Very high92.2Very high14 Ų1455.6 Ų55.69%0.08632%0.319CS..G310 helixtrans-72.7-0.2-179.547.40000115.8G15 F18 L19 P20 A24 M25 K27G15-T22 WeakPolarHBondContact O-CB 3.4Å; G15-T22 PolarHBondContact O-OG1 3.47Å; F18-T22 VanDerWaalsContact C-OG1 3.25Å; F18-T22 HydrophobicContact CB-CG2 3.45Å; F18-T22 VanDerWaalsContact CB-CG2 3.45Å; F18-T22 PolarHBondContact O-N 3.03Å; F18-T22 PolarHBondContact O-OG1 2.88Å; L19-T22 PolarHBondContact N-OG1 3.33Å; P20-T22 VanDerWaalsContact C-N 3.28Å; P20-T22 PolarHBondContact O-N 2.78Å; T22-A24 VanDerWaalsContact C-N 3.3Å; T22-A24 PolarHBondContact O-N 3.41Å; T22-M25 WeakPolarHBondContact CA-O 3.08Å; T22-K27 HydrophobicContact CG2-CB 3.83Å
23K89.7Confident92.3Very high183 Ų18358.2 Ų58.280%0.79633%0.332SS*.G310 helixtrans-66-33.7173.4-174.4179.4177-177.70112.2L19 P20 A21L19-K23 HydrophobicContact CD2-CB 4.12Å; P20-K23 WeakPolarHBondContact O-CB 3.3Å; P20-K23 PolarHBondContact O-N 3.42Å; P20-K23 VanDerWaalsContact O-N 3.09Å; A21-K23 PolarHBondContact O-N 3.47Å; A21-K23 VanDerWaalsContact O-N 3.1Å
24A88.5Confident92.4Very high96 Ų9661.8 Ų61.879%0.79334%0.343SS*.THydrogen-bonded Turntrans-119-21.9-176.900000113.3A21 T22A21-A24 PolarHBondContact O-N 3.11Å; T22-A24 VanDerWaalsContact C-N 3.3Å; T22-A24 PolarHBondContact O-N 3.41Å
25M90.7Very high92.9Very high71 Ų7158.9 Ų58.935%0.3533%0.326SS..SBendtrans-117.1125.7-179.5-172.4169.667.300110.1A21 T22 K27 M29 L30A21-M25 PolarHBondContact O-N 3.36Å; T22-M25 WeakPolarHBondContact CA-O 3.08Å; M25-K27 PolarHBondContact O-N 3.27Å; M25-M29 HydrophobicContact CG-CB 4.11Å; M25-L30 HydrophobicContact CE-CD2 3.32Å; M25-L30 HydrophobicContact CE-CG 4.12Å
26P93.2Very high93.1Very high9 Ų958.7 Ų58.76%0.05832%0.323CS..  trans-56.2141.2175.1-23.534.3000111.2E28 M29 K61 A63 I64P26-E28 PolarHBondContact O-N 3.34Å; P26-E28 VanDerWaalsContact O-N 3.16Å; P26-M29 HydrophobicContact CB-CB 4.44Å; P26-M29 HydrophobicContact CB-CG 4.07Å; P26-M29 HydrophobicContact CG-CG 4.15Å; P26-M29 WeakPolarHBondContact O-CB 3.47Å; P26-M29 PolarHBondContact O-N 2.92Å; P26-K61 HydrophobicContact CB-CD 4.14Å; P26-K61 HydrophobicContact CB-CG 4.28Å; P26-K61 HydrophobicContact CG-CB 4.1Å; P26-K61 HydrophobicContact CG-CD 4.4Å; P26-K61 HydrophobicContact CG-CG 4.01Å; P26-A63 HydrophobicContact CG-CB 4.37Å; P26-I64 HydrophobicContact CB-CD1 4.01Å; P26-I64 HydrophobicContact CB-CG1 4.16Å; P26-I64 HydrophobicContact CG-CD1 4.42Å; P26-I64 HydrophobicContact CG-CG1 4.21Å
27K92.9Very high93.4Very high38 Ų3854.6 Ų54.617%0.16530%0.297CS..G310 helixtrans-57.8-32.5178.967.4167.8-171.4170.30111.8T22 M25 M29 L30 D132T22-K27 HydrophobicContact CG2-CB 3.83Å; M25-K27 PolarHBondContact O-N 3.27Å; K27-M29 PolarHBondContact O-N 3.38Å; K27-L30 HydrophobicContact CB-CD1 4.3Å; K27-L30 VanDerWaalsContact O-CB 3.3Å; K27-L30 WeakPolarHBondContact O-CB 3.37Å; K27-L30 WeakPolarHBondContact O-CD1 3.42Å; K27-L30 WeakPolarHBondContact O-CG 3.34Å; K27-L30 PolarHBondContact O-N 3.15Å; K27-L30 VanDerWaalsContact O-N 3.08Å; K27-D132 IonicContact NZ-OD2 3.89Å; K27-D132 PolarHBondContact NZ-OD2 3.42Å
28E94.9Very high93.6Very high1 Ų148.5 Ų48.51%0.00527%0.274CS..G310 helixtrans-71.6-13.3-178.2-55.783.7-17900112.3A11 P26 T37 I38 K61 I64A11-E28 WeakPolarHBondContact CA-OE1 3.3Å; A11-E28 HydrophobicContact CB-CG 3.82Å; P26-E28 PolarHBondContact O-N 3.34Å; P26-E28 VanDerWaalsContact O-N 3.16Å; E28-T37 PolarHBondContact O-N 2.77Å; E28-I38 HydrophobicContact CB-CB 4.05Å; E28-I38 HydrophobicContact CB-CD1 4.2Å; E28-I38 PolarHBondContact O-N 3.09Å; E28-K61 VanDerWaalsContact CD-NZ 3.25Å; E28-K61 IonicContact OE1-NZ 3.01Å; E28-K61 PolarHBondContact OE1-NZ 2.83Å; E28-K61 IonicContact OE2-NZ 3.03Å; E28-K61 PolarHBondContact OE2-NZ 2.65Å; E28-I64 HydrophobicContact CB-CD1 4.23Å
29M95.3Very high93.8Very high27 Ų2748.1 Ų48.113%0.13327%0.273CS..G310 helixtrans-96.92.8173.4-64.3-55.8-61.900113.1M25 P26 K27 P31 P36 I38 A63 I64 H67M25-M29 HydrophobicContact CG-CB 4.11Å; P26-M29 HydrophobicContact CB-CB 4.44Å; P26-M29 HydrophobicContact CB-CG 4.07Å; P26-M29 HydrophobicContact CG-CG 4.15Å; P26-M29 WeakPolarHBondContact O-CB 3.47Å; P26-M29 PolarHBondContact O-N 2.92Å; K27-M29 PolarHBondContact O-N 3.38Å; M29-P31 WeakPolarHBondContact O-CD 3.49Å; M29-P36 HydrophobicContact CE-CB 3.98Å; M29-P36 HydrophobicContact CE-CG 4.08Å; M29-P36 HydrophobicContact SD-CB 4.13Å; M29-I38 HydrophobicContact SD-CG2 3.98Å; M29-A63 HydrophobicContact CG-CB 4.21Å; M29-I64 HydrophobicContact CG-CG1 3.8Å; M29-I64 HydrophobicContact SD-CB 4.46Å; M29-I64 HydrophobicContact SD-CG1 3.92Å; M29-H67 HydrophobicContact CE-CB 3.69Å; M29-H67 HydrophobicContact SD-CB 4.27Å
30L94.9Very high94Very high17 Ų1745.3 Ų45.39%0.08926%0.256CS..  trans-65.2123.4170.2-71.2165000108.5F18 M25 K27 T37 F261F18-L30 HydrophobicContact CB-CD1 4.16Å; F18-L30 HydrophobicContact CD1-CD1 3.61Å; F18-L30 HydrophobicContact CD2-CD1 4.03Å; F18-L30 HydrophobicContact CE1-CD1 3.9Å; F18-L30 HydrophobicContact CE2-CD1 4.28Å; F18-L30 HydrophobicContact CG-CD1 3.68Å; F18-L30 HydrophobicContact CZ-CD1 4.23Å; M25-L30 HydrophobicContact CE-CD2 3.32Å; M25-L30 HydrophobicContact CE-CG 4.12Å; K27-L30 HydrophobicContact CB-CD1 4.3Å; K27-L30 VanDerWaalsContact O-CB 3.3Å; K27-L30 WeakPolarHBondContact O-CB 3.37Å; K27-L30 WeakPolarHBondContact O-CD1 3.42Å; K27-L30 WeakPolarHBondContact O-CG 3.34Å; K27-L30 PolarHBondContact O-N 3.15Å; K27-L30 VanDerWaalsContact O-N 3.08Å; L30-T37 PolarHBondContact O-N 3.3Å; L30-T37 PolarHBondContact O-OG1 3.49Å; L30-F261 HydrophobicContact CB-CD2 4.48Å; L30-F261 HydrophobicContact CB-CE2 3.68Å; L30-F261 HydrophobicContact CB-CZ 4.15Å
31P95.4Very high94.1Very high56 Ų5639.9 Ų39.936%0.36422%0.221SC..EExtended strand (participates in β ladder)trans-82.5138.1-175.132.4-34.5000111.9M29 K35 F261M29-P31 WeakPolarHBondContact O-CD 3.49Å; P31-K35 WeakPolarHBondContact CA-O 3.27Å; P31-F261 VanDerWaalsContact O-CZ 3.31Å; P31-F261 WeakPolarHBondContact O-CZ 3.15Å
32I95.4Very high94.4Very high0 Ų037.3 Ų37.30%020%0.2CC..EExtended strand (participates in β ladder)trans-91106.6156.1-55.9-58.1000105.3D34 K35 Y40 I134 V255 F261 T264 Y268I32-D34 PolarHBondContact O-N 2.93Å; I32-D34 VanDerWaalsContact O-N 3.09Å; I32-K35 PolarHBondContact N-O 2.8Å; I32-K35 PolarHBondContact O-N 2.99Å; I32-K35 VanDerWaalsContact O-N 3.17Å; I32-Y40 HydrophobicContact CB-CE2 4.02Å; I32-Y40 HydrophobicContact CG1-CE2 4.4Å; I32-I134 HydrophobicContact CG1-CD1 4.13Å; I32-V255 HydrophobicContact CD1-CG1 4Å; I32-V255 HydrophobicContact CG1-CG1 4.49Å; I32-F261 HydrophobicContact CD1-CD2 3.78Å; I32-F261 HydrophobicContact CD1-CE2 3.63Å; I32-F261 HydrophobicContact CD1-CZ 4.35Å; I32-T264 HydrophobicContact CD1-CG2 3.93Å; I32-T264 HydrophobicContact CG1-CG2 4.19Å; I32-T264 HydrophobicContact CG2-CG2 4.23Å; I32-Y268 HydrophobicContact CG2-CD1 4.04Å; I32-Y268 HydrophobicContact CG2-CD2 3.76Å; I32-Y268 HydrophobicContact CG2-CE2 4.33Å; I32-Y268 HydrophobicContact CG2-CG 3.54Å
33L93.4Very high94.7Very high60 Ų6037.7 Ų37.731%0.31420%0.201SC..THydrogen-bonded Turntrans58.4-105.9-169.1-55.9174.9000112.3A269 M275L33-A269 HydrophobicContact CD2-CB 4.01Å; L33-M275 HydrophobicContact CD1-CE 3.68Å; L33-M275 HydrophobicContact CD2-CE 3.81Å; L33-M275 HydrophobicContact CD2-SD 4.23Å; L33-M275 HydrophobicContact CG-CE 4.32Å
34D92.5Very high95.1Very high109 Ų10929.5 Ų29.558%0.58317%0.165SC*.THydrogen-bonded Turntrans-105-7.4-178.466.2-17.2000113.6I32 K89I32-D34 PolarHBondContact O-N 2.93Å; I32-D34 VanDerWaalsContact O-N 3.09Å; D34-K89 IonicContact OD2-NZ 3.08Å; D34-K89 PolarHBondContact OD2-NZ 2.88Å
35K95.8Very high95.6Very high45 Ų4525 Ų2520%0.19613%0.128CC..EExtended strand (participates in β ladder)trans-110.8125.6-175-171.4-179.6-53.1-174.60111.7P31 I32 Q39 Y40 E43P31-K35 WeakPolarHBondContact CA-O 3.27Å; I32-K35 PolarHBondContact N-O 2.8Å; I32-K35 PolarHBondContact O-N 2.99Å; I32-K35 VanDerWaalsContact O-N 3.17Å; K35-Q39 HydrophobicContact CD-CB 4.13Å; K35-Q39 HydrophobicContact CD-CG 3.94Å; K35-Q39 HydrophobicContact CG-CB 3.83Å; K35-Q39 HydrophobicContact CG-CG 3.99Å; K35-Y40 HydrophobicContact CB-CD2 4.43Å; K35-Y40 HydrophobicContact CB-CE2 3.61Å; K35-Y40 HydrophobicContact CD-CD1 3.95Å; K35-Y40 HydrophobicContact CD-CD2 3.72Å; K35-Y40 HydrophobicContact CD-CE1 3.78Å; K35-Y40 HydrophobicContact CD-CE2 3.55Å; K35-Y40 HydrophobicContact CD-CG 3.93Å; K35-Y40 HydrophobicContact CG-CD2 3.93Å; K35-Y40 HydrophobicContact CG-CE2 3.59Å; K35-E43 WeakPolarHBondContact CD-OE1 3.42Å; K35-E43 WeakPolarHBondContact CE-OE1 3.43Å; K35-E43 IonicContact NZ-OE1 2.67Å; K35-E43 PolarHBondContact NZ-OE1 3.18Å; K35-E43 IonicContact NZ-OE2 3.99Å; K35-E43 PolarHBondContact NZ-OE2 3.32Å
36P96.2Very high95.9Very high8 Ų822.8 Ų22.85%0.05212%0.121CC..EExtended strand (participates in β ladder)trans-66.9145.1175.227.4-32000111.2M29 I38 Q39 H67M29-P36 HydrophobicContact CE-CB 3.98Å; M29-P36 HydrophobicContact CE-CG 4.08Å; M29-P36 HydrophobicContact SD-CB 4.13Å; P36-I38 HydrophobicContact CB-CG2 4.48Å; P36-I38 PolarHBondContact O-N 2.79Å; P36-I38 VanDerWaalsContact O-N 3.12Å; P36-Q39 HydrophobicContact CG-CB 4.05Å; P36-Q39 WeakPolarHBondContact O-CB 3.44Å; P36-Q39 PolarHBondContact O-N 2.96Å; P36-H67 WeakPolarHBondContact CG-CE1 3.42Å; P36-H67 WeakPolarHBondContact CG-NE2 3.37Å
37T96.2Very high96.1Very high3 Ų329.7 Ų29.72%0.01815%0.146CC..Hα-helixtrans-45.8-47179.5-62.60000112.9E28 L30 Q39 Y40 G131 I134 V255E28-T37 PolarHBondContact O-N 2.77Å; L30-T37 PolarHBondContact O-N 3.3Å; L30-T37 PolarHBondContact O-OG1 3.49Å; T37-Q39 PolarHBondContact O-N 3.4Å; T37-Y40 WeakPolarHBondContact O-CB 3.23Å; T37-Y40 PolarHBondContact O-N 3.39Å; T37-Y40 VanDerWaalsContact O-N 3.14Å; T37-G131 VanDerWaalsContact CG2-O 3.25Å; T37-G131 WeakPolarHBondContact CG2-O 3.29Å; T37-I134 HydrophobicContact CG2-CD1 4.11Å; T37-I134 HydrophobicContact CG2-CG1 4.05Å; T37-V255 HydrophobicContact CG2-CG2 3.38Å
38I96.4Very high96.3Very high0 Ų028.5 Ų28.50%014%0.143CC..Hα-helixtrans-62.2-29.2-176-162.6158.9000113.8I9 A11 E28 M29 P36 I41 V42 I55 I64 F68I9-I38 HydrophobicContact CG2-CD1 4.24Å; I9-I38 HydrophobicContact CG2-CG1 4.34Å; A11-I38 HydrophobicContact CB-CD1 4.11Å; E28-I38 HydrophobicContact CB-CB 4.05Å; E28-I38 HydrophobicContact CB-CD1 4.2Å; E28-I38 PolarHBondContact O-N 3.09Å; M29-I38 HydrophobicContact SD-CG2 3.98Å; P36-I38 HydrophobicContact CB-CG2 4.48Å; P36-I38 PolarHBondContact O-N 2.79Å; P36-I38 VanDerWaalsContact O-N 3.12Å; I38-I41 WeakPolarHBondContact O-CB 3.22Å; I38-I41 PolarHBondContact O-N 2.92Å; I38-V42 WeakPolarHBondContact O-CG2 3.49Å; I38-V42 PolarHBondContact O-N 3.23Å; I38-I55 HydrophobicContact CD1-CD1 4.05Å; I38-I55 HydrophobicContact CD1-CG2 4Å; I38-I64 HydrophobicContact CD1-CD1 4.26Å; I38-I64 HydrophobicContact CD1-CG2 3.71Å; I38-F68 HydrophobicContact CD1-CE2 4.49Å; I38-F68 HydrophobicContact CG1-CE2 4.21Å; I38-F68 HydrophobicContact CG1-CZ 4.38Å; I38-F68 HydrophobicContact CG2-CE2 3.74Å; I38-F68 HydrophobicContact CG2-CZ 3.87Å
39Q97.4Very high96.4Very high16 Ų1630 Ų308%0.07516%0.158CC..Hα-helixtrans-66.7-38.8178.2-177-179.8-31.400111.2K35 P36 T37 I41 V42 E43 H67 F68 L96K35-Q39 HydrophobicContact CD-CB 4.13Å; K35-Q39 HydrophobicContact CD-CG 3.94Å; K35-Q39 HydrophobicContact CG-CB 3.83Å; K35-Q39 HydrophobicContact CG-CG 3.99Å; P36-Q39 HydrophobicContact CG-CB 4.05Å; P36-Q39 WeakPolarHBondContact O-CB 3.44Å; P36-Q39 PolarHBondContact O-N 2.96Å; T37-Q39 PolarHBondContact O-N 3.4Å; Q39-I41 PolarHBondContact O-N 3.09Å; Q39-V42 PolarHBondContact O-N 3.23Å; Q39-E43 HydrophobicContact CG-CG 4.29Å; Q39-E43 WeakPolarHBondContact CG-OE1 3.3Å; Q39-E43 PolarHBondContact NE2-OE1 3.19Å; Q39-E43 WeakPolarHBondContact O-CB 3.28Å; Q39-E43 VanDerWaalsContact O-CG 3.28Å; Q39-E43 WeakPolarHBondContact O-CG 3.46Å; Q39-E43 PolarHBondContact O-N 3.41Å; Q39-H67 PolarHBondContact OE1-CE1 2.89Å; Q39-H67 VanDerWaalsContact OE1-CE1 3.3Å; Q39-H67 PolarHBondContact OE1-NE2 3.34Å; Q39-F68 HydrophobicContact CB-CE1 4.37Å; Q39-F68 HydrophobicContact CB-CZ 4.34Å; Q39-F68 HydrophobicContact CG-CE1 4.4Å; Q39-L96 HydrophobicContact CG-CD1 4.1Å
40Y97.2Very high96.6Very high30 Ų3028.9 Ų28.912%0.11815%0.153CC..Hα-helixtrans-58.1-38.5173.3-69.3-86.7000111.9I32 K35 T37 E43 E44 I134 Y268I32-Y40 HydrophobicContact CB-CE2 4.02Å; I32-Y40 HydrophobicContact CG1-CE2 4.4Å; K35-Y40 HydrophobicContact CB-CD2 4.43Å; K35-Y40 HydrophobicContact CB-CE2 3.61Å; K35-Y40 HydrophobicContact CD-CD1 3.95Å; K35-Y40 HydrophobicContact CD-CD2 3.72Å; K35-Y40 HydrophobicContact CD-CE1 3.78Å; K35-Y40 HydrophobicContact CD-CE2 3.55Å; K35-Y40 HydrophobicContact CD-CG 3.93Å; K35-Y40 HydrophobicContact CG-CD2 3.93Å; K35-Y40 HydrophobicContact CG-CE2 3.59Å; T37-Y40 WeakPolarHBondContact O-CB 3.23Å; T37-Y40 PolarHBondContact O-N 3.39Å; T37-Y40 VanDerWaalsContact O-N 3.14Å; Y40-E43 PolarHBondContact O-N 3.46Å; Y40-E44 PolarHBondContact O-N 3.45Å; Y40-I134 HydrophobicContact CD1-CG2 4.34Å; Y40-I134 HydrophobicContact CD2-CD1 3.81Å; Y40-I134 HydrophobicContact CE2-CD1 4.34Å; Y40-I134 HydrophobicContact CG-CD1 4.02Å; Y40-I134 HydrophobicContact CG-CG1 4.41Å; Y40-I134 HydrophobicContact CG-CG2 4.27Å; Y40-Y268 HydrophobicContact CE1-CD1 4.48Å; Y40-Y268 AromaticContact CE1-CE1 3.57Å; Y40-Y268 HydrophobicContact CE1-CE1 3.57Å; Y40-Y268 AromaticContact CE1-CZ 3.97Å; Y40-Y268 AromaticContact CZ-CE1 3.81Å
41I97.5Very high96.6Very high0 Ų031.8 Ų31.80%017%0.166CC..Hα-helixtrans-69.5-41.6179.5-47.9-53.6000111.3I9 I38 Q39 E44 A45 L129 D133 I134I9-I41 HydrophobicContact CD1-CB 4.28Å; I9-I41 HydrophobicContact CD1-CG2 3.78Å; I9-I41 HydrophobicContact CG1-CG2 4.12Å; I9-I41 HydrophobicContact CG2-CG2 4.38Å; I38-I41 WeakPolarHBondContact O-CB 3.22Å; I38-I41 PolarHBondContact O-N 2.92Å; Q39-I41 PolarHBondContact O-N 3.09Å; I41-E44 PolarHBondContact O-N 2.82Å; I41-A45 PolarHBondContact O-N 2.98Å; I41-A45 VanDerWaalsContact O-N 3.12Å; I41-L129 HydrophobicContact CG2-CB 3.41Å; I41-L129 VanDerWaalsContact CG2-CB 3.41Å; I41-L129 HydrophobicContact CG2-CD2 3.89Å; I41-L129 HydrophobicContact CG2-CG 4.28Å; I41-D133 WeakPolarHBondContact CD1-O 3.23Å; I41-I134 HydrophobicContact CD1-CG1 4.17Å
42V97.8Very high96.8Very high0 Ų030.9 Ų30.90%016%0.158CC..Hα-helixtrans-66.1-41.7175.6171.10000111I9 I38 Q39 E44 A45 A46 I53 F68 L96 I99I9-V42 HydrophobicContact CD1-CG2 3.63Å; I38-V42 WeakPolarHBondContact O-CG2 3.49Å; I38-V42 PolarHBondContact O-N 3.23Å; Q39-V42 PolarHBondContact O-N 3.23Å; V42-E44 PolarHBondContact O-N 3.15Å; V42-A45 PolarHBondContact O-N 2.77Å; V42-A46 WeakPolarHBondContact O-CB 3.42Å; V42-A46 PolarHBondContact O-N 3.07Å; V42-I53 HydrophobicContact CB-CD1 4.34Å; V42-I53 HydrophobicContact CG1-CD1 3.79Å; V42-I53 HydrophobicContact CG2-CD1 4.4Å; V42-I53 HydrophobicContact CG2-CG2 4.49Å; V42-F68 HydrophobicContact CB-CE1 3.94Å; V42-F68 HydrophobicContact CB-CZ 3.97Å; V42-F68 HydrophobicContact CG1-CE1 3.89Å; V42-F68 HydrophobicContact CG1-CZ 4.35Å; V42-F68 HydrophobicContact CG2-CE1 3.88Å; V42-F68 HydrophobicContact CG2-CE2 4.15Å; V42-F68 HydrophobicContact CG2-CZ 3.48Å; V42-F68 VanDerWaalsContact CG2-CZ 3.48Å; V42-L96 HydrophobicContact CB-CD1 4.34Å; V42-L96 HydrophobicContact CG1-CB 3.8Å; V42-L96 HydrophobicContact CG1-CD1 3.66Å; V42-L96 HydrophobicContact CG1-CG 4.32Å; V42-I99 HydrophobicContact CG1-CD1 4.18Å
43E97.7Very high96.9Very high22 Ų2230.9 Ų30.910%0.10316%0.158CC..Hα-helixtrans-60.4-42.8175-77171.4-171.400112K35 Q39 Y40 A46 R47 Y92 L96K35-E43 WeakPolarHBondContact CD-OE1 3.42Å; K35-E43 WeakPolarHBondContact CE-OE1 3.43Å; K35-E43 IonicContact NZ-OE1 2.67Å; K35-E43 PolarHBondContact NZ-OE1 3.18Å; K35-E43 IonicContact NZ-OE2 3.99Å; K35-E43 PolarHBondContact NZ-OE2 3.32Å; Q39-E43 HydrophobicContact CG-CG 4.29Å; Q39-E43 WeakPolarHBondContact CG-OE1 3.3Å; Q39-E43 PolarHBondContact NE2-OE1 3.19Å; Q39-E43 WeakPolarHBondContact O-CB 3.28Å; Q39-E43 VanDerWaalsContact O-CG 3.28Å; Q39-E43 WeakPolarHBondContact O-CG 3.46Å; Q39-E43 PolarHBondContact O-N 3.41Å; Y40-E43 PolarHBondContact O-N 3.46Å; E43-A46 PolarHBondContact O-N 2.87Å; E43-R47 VanDerWaalsContact O-CB 3.32Å; E43-R47 WeakPolarHBondContact O-CB 3.2Å; E43-R47 VanDerWaalsContact O-CG 3.32Å; E43-R47 WeakPolarHBondContact O-CG 2.94Å; E43-R47 PolarHBondContact O-N 2.73Å; E43-Y92 HydrophobicContact CG-CE1 4.06Å; E43-Y92 WeakPolarHBondContact OE1-CE1 3.23Å; E43-L96 HydrophobicContact CG-CD1 3.86Å; E43-L96 HydrophobicContact CG-CD2 3.74Å; E43-L96 HydrophobicContact CG-CG 4.49Å
44E98.1Very high97.1Very high12 Ų1228.1 Ų28.16%0.05614%0.144CC..Hα-helixtrans-60.5-47.7174.8-173-170.2145.900111.4Y40 I41 V42 R47 A48 L129 P140 A141 V142 R206Y40-E44 PolarHBondContact O-N 3.45Å; I41-E44 PolarHBondContact O-N 2.82Å; V42-E44 PolarHBondContact O-N 3.15Å; E44-R47 PolarHBondContact O-N 3.48Å; E44-A48 WeakPolarHBondContact O-CB 3.47Å; E44-A48 PolarHBondContact O-N 2.83Å; E44-L129 HydrophobicContact CB-CD2 4.38Å; E44-L129 HydrophobicContact CG-CD2 4.41Å; E44-P140 HydrophobicContact CG-CB 3.76Å; E44-A141 PolarHBondContact OE1-N 2.86Å; E44-V142 HydrophobicContact CG-CG1 4.16Å; E44-V142 PolarHBondContact OE1-N 2.8Å; E44-R206 VanDerWaalsContact CD-NE 3.3Å; E44-R206 IonicContact OE1-CZ 3.89Å; E44-R206 IonicContact OE1-NE 3.1Å; E44-R206 PolarHBondContact OE1-NE 3.16Å; E44-R206 IonicContact OE1-NH2 3.11Å; E44-R206 IonicContact OE2-CZ 3.06Å; E44-R206 VanDerWaalsContact OE2-CZ 3.25Å; E44-R206 IonicContact OE2-NE 2.77Å; E44-R206 PolarHBondContact OE2-NE 2.78Å; E44-R206 IonicContact OE2-NH2 3.42Å; E44-R206 PolarHBondContact OE2-NH2 3Å
45A98.2Very high97.4Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-60.7-47.5178.500000111.6I41 V42 R47 A48 G49 I50 I53 L129I41-A45 PolarHBondContact O-N 2.98Å; I41-A45 VanDerWaalsContact O-N 3.12Å; V42-A45 PolarHBondContact O-N 2.77Å; A45-R47 PolarHBondContact O-N 2.93Å; A45-A48 WeakPolarHBondContact O-CB 3.26Å; A45-A48 PolarHBondContact O-N 3.03Å; A45-A48 VanDerWaalsContact O-N 3.1Å; A45-G49 PolarHBondContact O-N 3.49Å; A45-I50 HydrophobicContact CB-CB 4.31Å; A45-I50 HydrophobicContact CB-CD1 3.86Å; A45-I50 HydrophobicContact CB-CG2 4.48Å; A45-I50 WeakPolarHBondContact O-CB 3.43Å; A45-I50 PolarHBondContact O-N 2.89Å; A45-I50 VanDerWaalsContact O-N 3.16Å; A45-I53 HydrophobicContact CB-CD1 3.71Å; A45-I53 HydrophobicContact CB-CG1 4.34Å; A45-L129 HydrophobicContact CB-CD1 4.27Å; A45-L129 HydrophobicContact CB-CD2 4.22Å
46A97.4Very high97.4Very high25 Ų2520.8 Ų20.821%0.20711%0.107CC..Hα-helixtrans-60.6-44.9177.600000111.8V42 E43 A48 G49 L96V42-A46 WeakPolarHBondContact O-CB 3.42Å; V42-A46 PolarHBondContact O-N 3.07Å; E43-A46 PolarHBondContact O-N 2.87Å; A46-A48 PolarHBondContact O-N 3.15Å; A46-G49 PolarHBondContact O-N 2.65Å; A46-L96 HydrophobicContact CB-CD2 4.47Å; A46-L96 VanDerWaalsContact CB-O 3.31Å; A46-L96 WeakPolarHBondContact CB-O 3.13Å
47R97.2Very high97.4Very high155 Ų15520.6 Ų20.659%0.58511%0.105SC*.Hα-helixtrans-62.2-27.2175.1-78.8178.756.5175.2-8.4113.3E43 E44 A45 G49 S137 E138 P140E43-R47 VanDerWaalsContact O-CB 3.32Å; E43-R47 WeakPolarHBondContact O-CB 3.2Å; E43-R47 VanDerWaalsContact O-CG 3.32Å; E43-R47 WeakPolarHBondContact O-CG 2.94Å; E43-R47 PolarHBondContact O-N 2.73Å; E44-R47 PolarHBondContact O-N 3.48Å; A45-R47 PolarHBondContact O-N 2.93Å; R47-G49 PolarHBondContact O-N 3.22Å; R47-S137 PolarHBondContact NH2-O 3.19Å; R47-E138 PolarHBondContact NH2-O 2.82Å; R47-P140 HydrophobicContact CB-CG 3.67Å
48A97.9Very high97.1Very high12 Ų1220.9 Ų20.910%0.09911%0.108CC..THydrogen-bonded Turntrans-78.9-3173.900000113.6E44 A45 A46 I50 P140 V142 K143 I146E44-A48 WeakPolarHBondContact O-CB 3.47Å; E44-A48 PolarHBondContact O-N 2.83Å; A45-A48 WeakPolarHBondContact O-CB 3.26Å; A45-A48 PolarHBondContact O-N 3.03Å; A45-A48 VanDerWaalsContact O-N 3.1Å; A46-A48 PolarHBondContact O-N 3.15Å; A48-I50 HydrophobicContact CB-CD1 4.35Å; A48-P140 HydrophobicContact CB-CB 4.17Å; A48-V142 HydrophobicContact CB-CG1 3.4Å; A48-V142 VanDerWaalsContact CB-CG1 3.4Å; A48-K143 HydrophobicContact CB-CB 3.8Å; A48-I146 HydrophobicContact CB-CD1 4.22Å
49G96.8Very high96.4Very high32 Ų3228.9 Ų28.933%0.3314%0.139SC..THydrogen-bonded Turntrans84.419.5-179.900000114.3A45 A46 R47A45-G49 PolarHBondContact O-N 3.49Å; A46-G49 PolarHBondContact O-N 2.65Å; R47-G49 PolarHBondContact O-N 3.22Å
50I98.1Very high95.6Very high5 Ų536.4 Ų36.43%0.02617%0.173CC..  trans-75.7129.3170.3-69.1151.9000108.4I4 K5 A7 A45 A48 D52 I53 A127 V142 I146I4-I50 HydrophobicContact CG2-CG1 4.49Å; K5-I50 WeakPolarHBondContact O-CG2 3.44Å; A7-I50 HydrophobicContact CB-CD1 4.02Å; A7-I50 HydrophobicContact CB-CG2 3.76Å; A45-I50 HydrophobicContact CB-CB 4.31Å; A45-I50 HydrophobicContact CB-CD1 3.86Å; A45-I50 HydrophobicContact CB-CG2 4.48Å; A45-I50 WeakPolarHBondContact O-CB 3.43Å; A45-I50 PolarHBondContact O-N 2.89Å; A45-I50 VanDerWaalsContact O-N 3.16Å; A48-I50 HydrophobicContact CB-CD1 4.35Å; I50-D52 WeakPolarHBondContact CG2-O 3.47Å; I50-I53 HydrophobicContact CG2-CG1 3.89Å; I50-A127 HydrophobicContact CD1-CB 3.89Å; I50-V142 HydrophobicContact CD1-CG1 4.32Å; I50-V142 HydrophobicContact CD1-CG2 4.38Å; I50-I146 HydrophobicContact CD1-CD1 4.37Å
51E96.7Very high95.1Very high78 Ų7835.8 Ų35.836%0.36417%0.171SC..  trans-96-38.7-174.4-66.3167-15400111.2K5 N98K5-E51 IonicContact NZ-OE1 3.31Å; K5-E51 PolarHBondContact NZ-OE1 3.12Å; K5-E51 IonicContact NZ-OE2 2.66Å; K5-E51 PolarHBondContact NZ-OE2 3.41Å; K5-E51 PolarHBondContact O-N 3.33Å; E51-N98 WeakPolarHBondContact O-CB 3.44Å; E51-N98 PolarHBondContact O-N 2.86Å
52D98Very high94.8Very high36 Ų3643.9 Ų43.919%0.19320%0.202CC..EExtended strand (participates in β ladder)trans-117.2123-176.1-59.1-32.1000110.9K5 K6 A7 I50 N98 F100K5-D52 PolarHBondContact O-N 3.46Å; K6-D52 CarbonylContact C-O 3.47Å; K6-D52 VanDerWaalsContact CA-O 3.23Å; K6-D52 WeakPolarHBondContact CA-O 3.44Å; K6-D52 HydrophobicContact CG-CB 4.18Å; A7-D52 PolarHBondContact N-O 2.95Å; I50-D52 WeakPolarHBondContact CG2-O 3.47Å; D52-N98 CarbonylContact C-O 3.56Å; D52-N98 WeakPolarHBondContact CA-O 3.35Å; D52-N98 WeakPolarHBondContact OD1-CB 3.24Å; D52-N98 PolarHBondContact OD1-ND2 3.11Å; D52-F100 HydrophobicContact CB-CD2 4.31Å; D52-F100 HydrophobicContact CB-CE2 3.89Å
53I98.3Very high94.6Very high0 Ų045.9 Ų45.90%022%0.218CC..EExtended strand (participates in β ladder)trans-116.9121.3-179.7-62.7176.1000109.3A7 I9 V42 A45 I50 I55 A97 N98 I99 F100A7-I53 HydrophobicContact CB-CG1 4.48Å; I9-I53 HydrophobicContact CD1-CG2 3.61Å; I9-I53 HydrophobicContact CG1-CG2 4.01Å; V42-I53 HydrophobicContact CB-CD1 4.34Å; V42-I53 HydrophobicContact CG1-CD1 3.79Å; V42-I53 HydrophobicContact CG2-CD1 4.4Å; V42-I53 HydrophobicContact CG2-CG2 4.49Å; A45-I53 HydrophobicContact CB-CD1 3.71Å; A45-I53 HydrophobicContact CB-CG1 4.34Å; I50-I53 HydrophobicContact CG2-CG1 3.89Å; I53-I55 HydrophobicContact CG2-CG1 4.12Å; I53-A97 HydrophobicContact CD1-CB 3.59Å; I53-A97 HydrophobicContact CG1-CB 3.97Å; I53-N98 PolarHBondContact N-O 2.91Å; I53-I99 HydrophobicContact CB-CG1 4.36Å; I53-I99 CarbonylContact O-C 3.55Å; I53-I99 WeakPolarHBondContact O-CA 3.46Å; I53-F100 PolarHBondContact O-N 3.19Å
54I98Very high94.5Very high3 Ų344.8 Ų44.82%0.01521%0.213CC..EExtended strand (participates in β ladder)trans-101.4107.1178-5782000108.6K6 A7 I8 I9 F100 V102 A117 F120 I121K6-I54 HydrophobicContact CB-CD1 4.33Å; A7-I54 VanDerWaalsContact O-CD1 3.29Å; A7-I54 WeakPolarHBondContact O-CD1 3.47Å; A7-I54 PolarHBondContact O-N 3.02Å; I8-I54 CarbonylContact C-O 3.58Å; I8-I54 VanDerWaalsContact CA-O 3.3Å; I8-I54 WeakPolarHBondContact CA-O 3.29Å; I8-I54 HydrophobicContact CG1-CB 4.39Å; I9-I54 PolarHBondContact N-O 3.02Å; I54-F100 CarbonylContact C-O 3.14Å; I54-F100 WeakPolarHBondContact CA-O 3.34Å; I54-F100 HydrophobicContact CG1-CB 4.36Å; I54-V102 HydrophobicContact CG2-CB 4.11Å; I54-V102 HydrophobicContact CG2-CG2 3.56Å; I54-A117 HydrophobicContact CG2-CB 4.01Å; I54-F120 HydrophobicContact CG1-CB 4.15Å; I54-I121 HydrophobicContact CD1-CD1 3.82Å
55I97.9Very high94.3Very high0 Ų047.9 Ų47.90%023%0.228CC..EExtended strand (participates in β ladder)trans-88.6116.6174.7-53.4179.7000108.7I9 A11 I38 I53 T57 I64 F68 I99 F100 Y101 V102I9-I55 HydrophobicContact CB-CG1 4.39Å; I9-I55 WeakPolarHBondContact O-CA 3.4Å; A11-I55 HydrophobicContact CB-CG2 3.85Å; I38-I55 HydrophobicContact CD1-CD1 4.05Å; I38-I55 HydrophobicContact CD1-CG2 4Å; I53-I55 HydrophobicContact CG2-CG1 4.12Å; I55-T57 HydrophobicContact CB-CG2 4.43Å; I55-T57 HydrophobicContact CG2-CG2 3.65Å; I55-T57 PolarHBondContact O-N 3.09Å; I55-I64 HydrophobicContact CD1-CG2 4.03Å; I55-I64 HydrophobicContact CG2-CG2 4.2Å; I55-F68 HydrophobicContact CD1-CD2 4.06Å; I55-F68 HydrophobicContact CD1-CE2 3.9Å; I55-I99 HydrophobicContact CD1-CG2 3.7Å; I55-I99 HydrophobicContact CG1-CG2 4.05Å; I55-F100 PolarHBondContact N-O 3.46Å; I55-Y101 HydrophobicContact CB-CD1 3.98Å; I55-Y101 HydrophobicContact CB-CE1 4.1Å; I55-Y101 HydrophobicContact CD1-CE1 3.95Å; I55-Y101 HydrophobicContact CG1-CE1 4.42Å; I55-Y101 WeakPolarHBondContact O-CA 3.41Å; I55-V102 PolarHBondContact O-N 2.85Å
56V97Very high94.1Very high0 Ų050.4 Ų50.40%024%0.241CC..EExtended strand (participates in β ladder)trans-88.1106.9177.3177.50000109.1I8 I9 A11 A12 V102 Q104 A113 S116 A117I8-V56 HydrophobicContact CG2-CG2 3.7Å; I9-V56 PolarHBondContact O-N 3.14Å; A11-V56 CarbonylContact C-O 3.51Å; A11-V56 WeakPolarHBondContact CA-O 3.48Å; A11-V56 PolarHBondContact N-O 3.17Å; A12-V56 PolarHBondContact N-O 3.16Å; A12-V56 VanDerWaalsContact N-O 3.17Å; V56-V102 CarbonylContact C-O 3.59Å; V56-V102 VanDerWaalsContact CA-O 3.25Å; V56-V102 WeakPolarHBondContact CA-O 3.31Å; V56-V102 HydrophobicContact CG2-CB 4.4Å; V56-Q104 HydrophobicContact CG1-CB 3.78Å; V56-A113 HydrophobicContact CG1-CB 4.07Å; V56-S116 WeakPolarHBondContact CG1-OG 3.18Å; V56-A117 HydrophobicContact CG2-CB 4.09Å
57T94.7Very high94Very high4 Ų451.3 Ų51.33%0.02524%0.241CC..EExtended strand (participates in β ladder)trans-110.1157.3-172.963.40000112.9I55 K61 I64 Y101 V102 R103 Q104I55-T57 HydrophobicContact CB-CG2 4.43Å; I55-T57 HydrophobicContact CG2-CG2 3.65Å; I55-T57 PolarHBondContact O-N 3.09Å; T57-K61 HydrophobicContact CG2-CB 4.46Å; T57-I64 HydrophobicContact CG2-CD1 4.45Å; T57-Y101 HydrophobicContact CG2-CD1 4.23Å; T57-V102 PolarHBondContact N-O 2.73Å; T57-R103 CarbonylContact O-C 3.48Å; T57-R103 WeakPolarHBondContact O-CA 3.39Å; T57-Q104 PolarHBondContact O-N 3.02Å
58G89.8Confident94Very high8 Ų844.5 Ų44.58%0.08222%0.216CC..  trans-92.1-166.9172.800000112.6
59R83.3Confident93.8Very high169 Ų16948.6 Ų48.664%0.63824%0.236SC*.THydrogen-bonded Turntrans-66.9148.7169.8-44.7-161.4-175-158.11.5109.8K61 R103R59-K61 VanDerWaalsContact C-N 3.31Å; R59-K61 PolarHBondContact O-N 2.67Å; R59-R103 VanDerWaalsContact CG-NH2 3.31Å
60H80Confident93.6Very high173 Ų17349.3 Ų49.380%0.80124%0.236SC*.THydrogen-bonded Turntrans63.625.4171.2-49.7-70.7000116
61K87.1Confident93.3Very high17 Ų1753.4 Ų53.47%0.07426%0.255CS..  trans-100.429.9176.5-63.1-157.3171.5-157.50114.2A11 G13 P26 E28 T57 R59 A63 I64A11-K61 WeakPolarHBondContact O-CD 3.1Å; A11-K61 WeakPolarHBondContact O-CE 3.49Å; A11-K61 PolarHBondContact O-NZ 2.86Å; G13-K61 WeakPolarHBondContact O-CE 3.49Å; G13-K61 PolarHBondContact O-NZ 3.21Å; P26-K61 HydrophobicContact CB-CD 4.14Å; P26-K61 HydrophobicContact CB-CG 4.28Å; P26-K61 HydrophobicContact CG-CB 4.1Å; P26-K61 HydrophobicContact CG-CD 4.4Å; P26-K61 HydrophobicContact CG-CG 4.01Å; E28-K61 VanDerWaalsContact CD-NZ 3.25Å; E28-K61 IonicContact OE1-NZ 3.01Å; E28-K61 PolarHBondContact OE1-NZ 2.83Å; E28-K61 IonicContact OE2-NZ 3.03Å; E28-K61 PolarHBondContact OE2-NZ 2.65Å; T57-K61 HydrophobicContact CG2-CB 4.46Å; R59-K61 VanDerWaalsContact C-N 3.31Å; R59-K61 PolarHBondContact O-N 2.67Å; K61-A63 PolarHBondContact O-N 3.02Å; K61-I64 HydrophobicContact CB-CD1 4.13Å; K61-I64 HydrophobicContact CD-CD1 4Å; K61-I64 WeakPolarHBondContact O-CB 3.38Å; K61-I64 PolarHBondContact O-N 3.36Å
62R90.5Very high93.2Very high170 Ų17057 Ų5764%0.64227%0.27SS*.Hα-helixtrans-57-32.4-179.9-168.2-169.4171.3166.34.6112.8I64 E65 D66R62-I64 PolarHBondContact O-N 2.92Å; R62-I64 VanDerWaalsContact O-N 3.09Å; R62-E65 WeakPolarHBondContact O-CA 3.3Å; R62-E65 WeakPolarHBondContact O-CB 3.45Å; R62-E65 PolarHBondContact O-N 3.47Å; R62-D66 WeakPolarHBondContact CG-OD2 3.26Å; R62-D66 IonicContact CZ-OD1 2.68Å; R62-D66 IonicContact NE-OD1 3.92Å; R62-D66 PolarHBondContact NE-OD1 3.14Å; R62-D66 VanDerWaalsContact NE-OD1 3.11Å; R62-D66 IonicContact NE-OD2 3.92Å; R62-D66 PolarHBondContact NE-OD2 3.27Å; R62-D66 IonicContact NH2-OD1 2.84Å; R62-D66 PolarHBondContact O-N 3.01Å
63A93.9Very high93.1Very high42 Ų4263.1 Ų63.135%0.34730%0.297SS..Hα-helixtrans-56.6-27.2176.400000113.7P26 M29 K61 H67P26-A63 HydrophobicContact CG-CB 4.37Å; M29-A63 HydrophobicContact CG-CB 4.21Å; K61-A63 PolarHBondContact O-N 3.02Å; A63-H67 WeakPolarHBondContact O-CB 3.36Å; A63-H67 PolarHBondContact O-N 3.11Å
64I95.1Very high93Very high0 Ų066.4 Ų66.40%031%0.314CS..Hα-helixtrans-73.4-39.9173.5-59.7176.6000110.6A11 P26 E28 M29 I38 I55 T57 K61 R62 F68 Y101A11-I64 HydrophobicContact CB-CD1 4.01Å; P26-I64 HydrophobicContact CB-CD1 4.01Å; P26-I64 HydrophobicContact CB-CG1 4.16Å; P26-I64 HydrophobicContact CG-CD1 4.42Å; P26-I64 HydrophobicContact CG-CG1 4.21Å; E28-I64 HydrophobicContact CB-CD1 4.23Å; M29-I64 HydrophobicContact CG-CG1 3.8Å; M29-I64 HydrophobicContact SD-CB 4.46Å; M29-I64 HydrophobicContact SD-CG1 3.92Å; I38-I64 HydrophobicContact CD1-CD1 4.26Å; I38-I64 HydrophobicContact CD1-CG2 3.71Å; I55-I64 HydrophobicContact CD1-CG2 4.03Å; I55-I64 HydrophobicContact CG2-CG2 4.2Å; T57-I64 HydrophobicContact CG2-CD1 4.45Å; K61-I64 HydrophobicContact CB-CD1 4.13Å; K61-I64 HydrophobicContact CD-CD1 4Å; K61-I64 WeakPolarHBondContact O-CB 3.38Å; K61-I64 PolarHBondContact O-N 3.36Å; R62-I64 PolarHBondContact O-N 2.92Å; R62-I64 VanDerWaalsContact O-N 3.09Å; I64-F68 HydrophobicContact CG2-CD2 4.35Å; I64-F68 HydrophobicContact CG2-CE2 4.25Å; I64-F68 VanDerWaalsContact O-CD2 3.31Å; I64-F68 WeakPolarHBondContact O-CD2 3.42Å; I64-Y101 HydrophobicContact CG2-CE1 4.27Å
65E94.3Very high92.9Very high76 Ų7668 Ų6836%0.35532%0.321SS..Hα-helixtrans-63.1-51.2175.5-65.7168.6-147.200110.5R62 H67 F68 D69 Y101R62-E65 WeakPolarHBondContact O-CA 3.3Å; R62-E65 WeakPolarHBondContact O-CB 3.45Å; R62-E65 PolarHBondContact O-N 3.47Å; E65-H67 PolarHBondContact O-N 3Å; E65-F68 PolarHBondContact O-N 3.3Å; E65-D69 PolarHBondContact O-N 3.36Å; E65-Y101 WeakPolarHBondContact CA-OH 3.45Å; E65-Y101 HydrophobicContact CB-CE1 4.27Å; E65-Y101 HydrophobicContact CB-CE2 4.33Å; E65-Y101 HydrophobicContact CG-CD1 3.6Å; E65-Y101 HydrophobicContact CG-CD2 3.95Å; E65-Y101 HydrophobicContact CG-CE1 3.55Å; E65-Y101 HydrophobicContact CG-CE2 3.92Å; E65-Y101 HydrophobicContact CG-CG 3.8Å
66D94.1Very high92.9Very high54 Ų5473.5 Ų73.529%0.28935%0.348SS..Hα-helixtrans-65-22-177.5-58.2-32.3000113.1R62R62-D66 WeakPolarHBondContact CG-OD2 3.26Å; R62-D66 IonicContact CZ-OD1 2.68Å; R62-D66 IonicContact NE-OD1 3.92Å; R62-D66 PolarHBondContact NE-OD1 3.14Å; R62-D66 VanDerWaalsContact NE-OD1 3.11Å; R62-D66 IonicContact NE-OD2 3.92Å; R62-D66 PolarHBondContact NE-OD2 3.27Å; R62-D66 IonicContact NH2-OD1 2.84Å; R62-D66 PolarHBondContact O-N 3.01Å
67H95.7Very high92.9Very high44 Ų4476 Ų7620%0.20436%0.364CS..Hα-helixtrans-75.5-32.7179.7-178.873.5000113.8M29 P36 Q39 A63 E65 S93M29-H67 HydrophobicContact CE-CB 3.69Å; M29-H67 HydrophobicContact SD-CB 4.27Å; P36-H67 WeakPolarHBondContact CG-CE1 3.42Å; P36-H67 WeakPolarHBondContact CG-NE2 3.37Å; Q39-H67 PolarHBondContact OE1-CE1 2.89Å; Q39-H67 VanDerWaalsContact OE1-CE1 3.3Å; Q39-H67 PolarHBondContact OE1-NE2 3.34Å; A63-H67 WeakPolarHBondContact O-CB 3.36Å; A63-H67 PolarHBondContact O-N 3.11Å; E65-H67 PolarHBondContact O-N 3Å; H67-S93 PolarHBondContact O-OG 3.35Å
68F95.9Very high93Very high12 Ų1276.7 Ų76.75%0.05337%0.367CS..SBendtrans-101.75.2-179.6-66.4-69.3000112.5I38 Q39 V42 I55 I64 E65 S93 L96 I99I38-F68 HydrophobicContact CD1-CE2 4.49Å; I38-F68 HydrophobicContact CG1-CE2 4.21Å; I38-F68 HydrophobicContact CG1-CZ 4.38Å; I38-F68 HydrophobicContact CG2-CE2 3.74Å; I38-F68 HydrophobicContact CG2-CZ 3.87Å; Q39-F68 HydrophobicContact CB-CE1 4.37Å; Q39-F68 HydrophobicContact CB-CZ 4.34Å; Q39-F68 HydrophobicContact CG-CE1 4.4Å; V42-F68 HydrophobicContact CB-CE1 3.94Å; V42-F68 HydrophobicContact CB-CZ 3.97Å; V42-F68 HydrophobicContact CG1-CE1 3.89Å; V42-F68 HydrophobicContact CG1-CZ 4.35Å; V42-F68 HydrophobicContact CG2-CE1 3.88Å; V42-F68 HydrophobicContact CG2-CE2 4.15Å; V42-F68 HydrophobicContact CG2-CZ 3.48Å; V42-F68 VanDerWaalsContact CG2-CZ 3.48Å; I55-F68 HydrophobicContact CD1-CD2 4.06Å; I55-F68 HydrophobicContact CD1-CE2 3.9Å; I64-F68 HydrophobicContact CG2-CD2 4.35Å; I64-F68 HydrophobicContact CG2-CE2 4.25Å; I64-F68 VanDerWaalsContact O-CD2 3.31Å; I64-F68 WeakPolarHBondContact O-CD2 3.42Å; E65-F68 PolarHBondContact O-N 3.3Å; F68-S93 WeakPolarHBondContact CD1-O 3.43Å; F68-L96 HydrophobicContact CE1-CD1 4.25Å; F68-I99 HydrophobicContact CB-CD1 3.51Å; F68-I99 HydrophobicContact CD1-CD1 3.45Å; F68-I99 VanDerWaalsContact CD1-CD1 3.45Å; F68-I99 HydrophobicContact CD2-CD1 4.04Å; F68-I99 HydrophobicContact CE1-CD1 4.13Å; F68-I99 HydrophobicContact CG-CD1 3.41Å; F68-I99 VanDerWaalsContact CG-CD1 3.41Å
69D94.3Very high93.4Very high97 Ų9783.9 Ų83.952%0.51940%0.396SS..SBendtrans-101157172.8-164.23000110.4E65E65-D69 PolarHBondContact O-N 3.36Å
70S92Very high94.1Very high47 Ų4783.1 Ų83.133%0.32940%0.4SS..  trans-61.9134.7175.763.20000111.6
71Q92.9Very high94.9Very high91 Ų9181.8 Ų81.843%0.42539%0.392SS..  trans-113.871.4175.7-68-149.2-34.300110.2E73 L74 E75Q71-E73 VanDerWaalsContact C-N 3.25Å; Q71-E73 PolarHBondContact O-N 2.91Å; Q71-E73 VanDerWaalsContact O-N 3.07Å; Q71-L74 HydrophobicContact CB-CB 3.96Å; Q71-L74 HydrophobicContact CB-CD2 4.47Å; Q71-L74 WeakPolarHBondContact O-CA 3.26Å; Q71-L74 WeakPolarHBondContact O-CB 3.41Å; Q71-L74 PolarHBondContact O-N 2.74Å; Q71-E75 PolarHBondContact N-OE1 2.79Å; Q71-E75 WeakPolarHBondContact O-CG 3.32Å; Q71-E75 PolarHBondContact O-N 3.05Å
72K94Very high95.4Very high155 Ų15583.5 Ų83.567%0.67441%0.414SS*.Hα-helixtrans-51.2-38.4-172.1-64-174.9-179.9178.60114.8M76K72-M76 VanDerWaalsContact O-CB 3.28Å; K72-M76 WeakPolarHBondContact O-CB 3.45Å; K72-M76 PolarHBondContact O-N 3.37Å
73E96.7Very high95.7Very high164 Ų16480.9 Ų80.977%0.76641%0.408SS*.Hα-helixtrans-66.3-47.3177.4-174.8178.217800111.3Q71 M76 V77Q71-E73 VanDerWaalsContact C-N 3.25Å; Q71-E73 PolarHBondContact O-N 2.91Å; Q71-E73 VanDerWaalsContact O-N 3.07Å; E73-M76 PolarHBondContact O-N 3.41Å; E73-V77 VanDerWaalsContact O-CG2 3.32Å; E73-V77 WeakPolarHBondContact O-CG2 3.46Å; E73-V77 PolarHBondContact O-N 3.03Å
74L95.6Very high95.9Very high68 Ų6883 Ų8336%0.35642%0.42SS..Hα-helixtrans-62.4-46.4176.5177.661.1000111.1Q71 M76 V77 L78 V90Q71-L74 HydrophobicContact CB-CB 3.96Å; Q71-L74 HydrophobicContact CB-CD2 4.47Å; Q71-L74 WeakPolarHBondContact O-CA 3.26Å; Q71-L74 WeakPolarHBondContact O-CB 3.41Å; Q71-L74 PolarHBondContact O-N 2.74Å; L74-M76 VanDerWaalsContact C-N 3.33Å; L74-M76 PolarHBondContact O-N 3.38Å; L74-V77 PolarHBondContact O-N 3.21Å; L74-L78 HydrophobicContact CD1-CD1 4.12Å; L74-L78 HydrophobicContact CD1-CG 4.15Å; L74-L78 HydrophobicContact CG-CD1 4.02Å; L74-L78 HydrophobicContact CG-CG 4.45Å; L74-L78 WeakPolarHBondContact O-CG 3.43Å; L74-L78 PolarHBondContact O-N 3.1Å; L74-V90 HydrophobicContact CD2-CG1 4.28Å; L74-V90 HydrophobicContact CD2-CG2 4Å
75E96.3Very high95.9Very high36 Ų3690.7 Ų90.717%0.16846%0.456CS..Hα-helixtrans-58.1-44.5177.9-69.6168.6-139.200111.8Q71 L78 K79 L87 V90Q71-E75 PolarHBondContact N-OE1 2.79Å; Q71-E75 WeakPolarHBondContact O-CG 3.32Å; Q71-E75 PolarHBondContact O-N 3.05Å; E75-L78 PolarHBondContact O-N 2.6Å; E75-K79 VanDerWaalsContact O-CB 3.31Å; E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 PolarHBondContact O-N 3.37Å; E75-L87 HydrophobicContact CB-CD1 3.74Å; E75-L87 HydrophobicContact CG-CD1 3.9Å; E75-V90 HydrophobicContact CG-CG1 4.07Å
76M97.3Very high95.9Very high116 Ų11691.2 Ų91.257%0.57146%0.46SS*.Hα-helixtrans-61.8-47.5176.6-173.4-179.9-6100111.4K72 E73 L74 L78 K79 E80K72-M76 VanDerWaalsContact O-CB 3.28Å; K72-M76 WeakPolarHBondContact O-CB 3.45Å; K72-M76 PolarHBondContact O-N 3.37Å; E73-M76 PolarHBondContact O-N 3.41Å; L74-M76 VanDerWaalsContact C-N 3.33Å; L74-M76 PolarHBondContact O-N 3.38Å; M76-L78 PolarHBondContact O-N 2.78Å; M76-K79 PolarHBondContact O-N 2.75Å; M76-E80 WeakPolarHBondContact O-CG 3.49Å; M76-E80 PolarHBondContact O-N 2.59Å
77V97.9Very high96Very high53 Ų5389.8 Ų89.832%0.32145%0.453SS..Hα-helixtrans-62-42179170.20000111.8E73 L74 K81E73-V77 VanDerWaalsContact O-CG2 3.32Å; E73-V77 WeakPolarHBondContact O-CG2 3.46Å; E73-V77 PolarHBondContact O-N 3.03Å; L74-V77 PolarHBondContact O-N 3.21Å; V77-K81 HydrophobicContact CG1-CD 4.07Å; V77-K81 WeakPolarHBondContact O-CB 3.15Å; V77-K81 WeakPolarHBondContact O-CG 3.48Å; V77-K81 PolarHBondContact O-N 3.4Å; V77-K81 VanDerWaalsContact O-N 3.11Å
78L97.4Very high96Very high19 Ų1994.4 Ų94.410%0.09947%0.474CS..Hα-helixtrans-65.6-41.9177.7-70.5174.3000111.4L74 E75 M76 K81 G82 K83 L86 L87 V90L74-L78 HydrophobicContact CD1-CD1 4.12Å; L74-L78 HydrophobicContact CD1-CG 4.15Å; L74-L78 HydrophobicContact CG-CD1 4.02Å; L74-L78 HydrophobicContact CG-CG 4.45Å; L74-L78 WeakPolarHBondContact O-CG 3.43Å; L74-L78 PolarHBondContact O-N 3.1Å; E75-L78 PolarHBondContact O-N 2.6Å; M76-L78 PolarHBondContact O-N 2.78Å; L78-K81 PolarHBondContact O-N 3.13Å; L78-G82 PolarHBondContact O-N 3.01Å; L78-K83 HydrophobicContact CB-CB 4.4Å; L78-K83 HydrophobicContact CD2-CB 3.96Å; L78-K83 HydrophobicContact CD2-CG 4.47Å; L78-K83 PolarHBondContact O-N 2.91Å; L78-L86 HydrophobicContact CD1-CB 4.14Å; L78-L86 HydrophobicContact CD2-CB 3.96Å; L78-L86 HydrophobicContact CD2-CD1 4.08Å; L78-L87 HydrophobicContact CB-CB 4.22Å; L78-V90 HydrophobicContact CD1-CG2 3.94Å
79K97.1Very high95.9Very high158 Ų15899.4 Ų99.469%0.68750%0.496SS*.Hα-helixtrans-62.7-47.9176.5-173.6175.6-179.41750112.2E75 M76 K81 G82 L87E75-K79 VanDerWaalsContact O-CB 3.31Å; E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 PolarHBondContact O-N 3.37Å; M76-K79 PolarHBondContact O-N 2.75Å; K79-K81 VanDerWaalsContact C-N 3.26Å; K79-K81 PolarHBondContact O-N 3.32Å; K79-G82 PolarHBondContact O-N 3.02Å; K79-L87 HydrophobicContact CB-CD2 4.12Å
80E97.6Very high95.9Very high153 Ų15396.4 Ų96.472%0.71548%0.481SS*.Hα-helixtrans-61.4-34.6177.8-74.4178.9175.200112.5M76 G82M76-E80 WeakPolarHBondContact O-CG 3.49Å; M76-E80 PolarHBondContact O-N 2.59Å; E80-G82 VanDerWaalsContact C-N 3.27Å; E80-G82 PolarHBondContact O-N 3.1Å
81K97.8Very high96Very high146 Ų14697.6 Ų97.664%0.63548%0.481SS*.THydrogen-bonded Turntrans-82.11.6175.8-69.3178.5179.2176.10114V77 L78 K79 K83V77-K81 HydrophobicContact CG1-CD 4.07Å; V77-K81 WeakPolarHBondContact O-CB 3.15Å; V77-K81 WeakPolarHBondContact O-CG 3.48Å; V77-K81 PolarHBondContact O-N 3.4Å; V77-K81 VanDerWaalsContact O-N 3.11Å; L78-K81 PolarHBondContact O-N 3.13Å; K79-K81 VanDerWaalsContact C-N 3.26Å; K79-K81 PolarHBondContact O-N 3.32Å; K81-K83 VanDerWaalsContact C-N 3.27Å; K81-K83 HydrophobicContact CB-CG 3.97Å; K81-K83 PolarHBondContact O-N 3.12Å
82G97.4Very high96.1Very high53 Ų5398.6 Ų98.655%0.54648%0.482SS..THydrogen-bonded Turntrans64.127.3-178.200000114.1L78 K79 E80 S84L78-G82 PolarHBondContact O-N 3.01Å; K79-G82 PolarHBondContact O-N 3.02Å; E80-G82 VanDerWaalsContact C-N 3.27Å; E80-G82 PolarHBondContact O-N 3.1Å; G82-S84 VanDerWaalsContact C-N 3.33Å; G82-S84 PolarHBondContact O-N 3.26Å
83K97.6Very high96Very high115 Ų11591.6 Ų91.650%0.545%0.453SS..  trans-90.861.5-178.5-63-60.2-175-179.70111.6L78 K81 E85 L86 L87L78-K83 HydrophobicContact CB-CB 4.4Å; L78-K83 HydrophobicContact CD2-CB 3.96Å; L78-K83 HydrophobicContact CD2-CG 4.47Å; L78-K83 PolarHBondContact O-N 2.91Å; K81-K83 VanDerWaalsContact C-N 3.27Å; K81-K83 HydrophobicContact CB-CG 3.97Å; K81-K83 PolarHBondContact O-N 3.12Å; K83-E85 PolarHBondContact O-N 2.98Å; K83-L86 HydrophobicContact CB-CB 4.3Å; K83-L86 HydrophobicContact CB-CD1 4.22Å; K83-L86 HydrophobicContact CG-CD1 4.5Å; K83-L86 PolarHBondContact O-N 2.72Å; K83-L87 PolarHBondContact O-N 2.77Å
84S96.5Very high95.7Very high86 Ų8686 Ų8660%0.60143%0.43SS*.Hα-helixtrans-58.8-42.3-172.1-52.10000114.1G82 L86 L87 E88G82-S84 VanDerWaalsContact C-N 3.33Å; G82-S84 PolarHBondContact O-N 3.26Å; S84-L86 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 3.24Å; S84-L87 WeakPolarHBondContact O-CB 3.36Å; S84-L87 PolarHBondContact O-N 3.06Å; S84-E88 PolarHBondContact O-N 2.88Å
85E95.5Very high95.5Very high162 Ų16290.1 Ų90.176%0.75745%0.447SS*.Hα-helixtrans-63.2-39179-65.7174.8-176.200112.3K83 K89K83-E85 PolarHBondContact O-N 2.98Å; E85-K89 WeakPolarHBondContact O-CG 3.45Å; E85-K89 PolarHBondContact O-N 3.45Å; E85-K89 VanDerWaalsContact O-N 3.14Å
86L95Very high95.4Very high86 Ų8689.5 Ų89.545%0.4545%0.445SS..Hα-helixtrans-71-37.4175.9-67.4178.7000111.4L78 K83 S84 K89 V90L78-L86 HydrophobicContact CD1-CB 4.14Å; L78-L86 HydrophobicContact CD2-CB 3.96Å; L78-L86 HydrophobicContact CD2-CD1 4.08Å; K83-L86 HydrophobicContact CB-CB 4.3Å; K83-L86 HydrophobicContact CB-CD1 4.22Å; K83-L86 HydrophobicContact CG-CD1 4.5Å; K83-L86 PolarHBondContact O-N 2.72Å; S84-L86 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 3.24Å; L86-K89 PolarHBondContact O-N 2.98Å; L86-V90 WeakPolarHBondContact O-CG2 3.18Å; L86-V90 PolarHBondContact O-N 3.06Å; L86-V90 VanDerWaalsContact O-N 3.09Å
87L96.1Very high95.2Very high25 Ų2585 Ų8513%0.13143%0.426CS..Hα-helixtrans-61.9-45.1175.9177.661.9000111E75 L78 K79 K83 S84 K89 V90 Q91E75-L87 HydrophobicContact CB-CD1 3.74Å; E75-L87 HydrophobicContact CG-CD1 3.9Å; L78-L87 HydrophobicContact CB-CB 4.22Å; K79-L87 HydrophobicContact CB-CD2 4.12Å; K83-L87 PolarHBondContact O-N 2.77Å; S84-L87 WeakPolarHBondContact O-CB 3.36Å; S84-L87 PolarHBondContact O-N 3.06Å; L87-K89 PolarHBondContact O-N 3.15Å; L87-V90 PolarHBondContact O-N 3.26Å; L87-Q91 HydrophobicContact CD1-CG 4.18Å; L87-Q91 WeakPolarHBondContact O-CG 3.25Å; L87-Q91 PolarHBondContact O-N 2.81Å
88E95.8Very high95.1Very high140 Ų14087 Ų8765%0.65444%0.435SS*.Hα-helixtrans-60.4-44.1176.6-174.5176.2-171.700111.4S84 V90 Q91 Y92S84-E88 PolarHBondContact O-N 2.88Å; E88-V90 VanDerWaalsContact C-N 3.33Å; E88-V90 PolarHBondContact O-N 2.94Å; E88-Q91 PolarHBondContact O-N 2.91Å; E88-Y92 VanDerWaalsContact O-CB 3.23Å; E88-Y92 WeakPolarHBondContact O-CB 3.43Å; E88-Y92 PolarHBondContact O-N 3.49Å
89K93.6Very high95.1Very high117 Ų11787.7 Ų87.751%0.50944%0.439SS..Hα-helixtrans-58.6-40.8174.7-76.4-175.6171.5-166.30113.2D34 E85 L86 L87D34-K89 IonicContact OD2-NZ 3.08Å; D34-K89 PolarHBondContact OD2-NZ 2.88Å; E85-K89 WeakPolarHBondContact O-CG 3.45Å; E85-K89 PolarHBondContact O-N 3.45Å; E85-K89 VanDerWaalsContact O-N 3.14Å; L86-K89 PolarHBondContact O-N 2.98Å; L87-K89 PolarHBondContact O-N 3.15Å
90V93.6Very high95.1Very high34 Ų3484.2 Ų84.221%0.20642%0.424CS..Hα-helixtrans-69.3-42.6178.7170.10000111.3L74 E75 L78 L86 L87 E88 S93L74-V90 HydrophobicContact CD2-CG1 4.28Å; L74-V90 HydrophobicContact CD2-CG2 4Å; E75-V90 HydrophobicContact CG-CG1 4.07Å; L78-V90 HydrophobicContact CD1-CG2 3.94Å; L86-V90 WeakPolarHBondContact O-CG2 3.18Å; L86-V90 PolarHBondContact O-N 3.06Å; L86-V90 VanDerWaalsContact O-N 3.09Å; L87-V90 PolarHBondContact O-N 3.26Å; E88-V90 VanDerWaalsContact C-N 3.33Å; E88-V90 PolarHBondContact O-N 2.94Å; V90-S93 PolarHBondContact O-OG 2.85Å; V90-S93 VanDerWaalsContact O-OG 3.11Å
91Q94.6Very high95Very high72 Ų7280.2 Ų80.234%0.33640%0.402SS..Hα-helixtrans-71.1-35179.8-69.8179.1-37.800111.9L87 E88 S93 T94 E95L87-Q91 HydrophobicContact CD1-CG 4.18Å; L87-Q91 WeakPolarHBondContact O-CG 3.25Å; L87-Q91 PolarHBondContact O-N 2.81Å; E88-Q91 PolarHBondContact O-N 2.91Å; Q91-S93 VanDerWaalsContact C-N 3.32Å; Q91-S93 PolarHBondContact O-N 3.11Å; Q91-T94 WeakPolarHBondContact O-CB 2.92Å; Q91-T94 PolarHBondContact O-N 3.33Å; Q91-E95 PolarHBondContact O-N 3.29Å
92Y95.1Very high94.9Very high113 Ų11373.9 Ų73.944%0.44338%0.376SS..Hα-helixtrans-54.5-45.2-179.9-179.9-108.3000112.5E43 E88 T94 E95 L96E43-Y92 HydrophobicContact CG-CE1 4.06Å; E43-Y92 WeakPolarHBondContact OE1-CE1 3.23Å; E88-Y92 VanDerWaalsContact O-CB 3.23Å; E88-Y92 WeakPolarHBondContact O-CB 3.43Å; E88-Y92 PolarHBondContact O-N 3.49Å; Y92-T94 PolarHBondContact O-N 2.67Å; Y92-E95 PolarHBondContact O-N 3.17Å; Y92-L96 HydrophobicContact CD1-CD2 4.4Å; Y92-L96 HydrophobicContact CE1-CD2 3.74Å; Y92-L96 HydrophobicContact CE1-CG 4.48Å; Y92-L96 HydrophobicContact CE2-CD2 4.1Å; Y92-L96 WeakPolarHBondContact O-CG 3.38Å; Y92-L96 PolarHBondContact O-N 3.21Å
93S91.1Very high94.7Very high8 Ų878.1 Ų78.16%0.05638%0.375CS..Hα-helixtrans-63.1-30.9179.263.30000112.9H67 F68 V90 Q91H67-S93 PolarHBondContact O-OG 3.35Å; F68-S93 WeakPolarHBondContact CD1-O 3.43Å; V90-S93 PolarHBondContact O-OG 2.85Å; V90-S93 VanDerWaalsContact O-OG 3.11Å; Q91-S93 VanDerWaalsContact C-N 3.32Å; Q91-S93 PolarHBondContact O-N 3.11Å
94T91.3Very high94.6Very high45 Ų4573.2 Ų73.228%0.27635%0.354SS..Hα-helixtrans-74.2-28.8-180-53.30000112.1Q91 Y92Q91-T94 WeakPolarHBondContact O-CB 2.92Å; Q91-T94 PolarHBondContact O-N 3.33Å; Y92-T94 PolarHBondContact O-N 2.67Å
95E91.9Very high94.3Very high156 Ų15677.3 Ų77.373%0.72936%0.361SS*.Hα-helixtrans-96.7-0.6-172.7-65.5-179.2175.200114.1Q91 Y92 A97Q91-E95 PolarHBondContact O-N 3.29Å; Y92-E95 PolarHBondContact O-N 3.17Å; E95-A97 PolarHBondContact O-N 2.8Å
96L93Very high94.1Very high23 Ų2374.7 Ų74.712%0.1235%0.349CS..SBendtrans-59.6-46.2-174.1-76.4169.6000114.1Q39 V42 E43 A46 F68 Y92Q39-L96 HydrophobicContact CG-CD1 4.1Å; V42-L96 HydrophobicContact CB-CD1 4.34Å; V42-L96 HydrophobicContact CG1-CB 3.8Å; V42-L96 HydrophobicContact CG1-CD1 3.66Å; V42-L96 HydrophobicContact CG1-CG 4.32Å; E43-L96 HydrophobicContact CG-CD1 3.86Å; E43-L96 HydrophobicContact CG-CD2 3.74Å; E43-L96 HydrophobicContact CG-CG 4.49Å; A46-L96 HydrophobicContact CB-CD2 4.47Å; A46-L96 VanDerWaalsContact CB-O 3.31Å; A46-L96 WeakPolarHBondContact CB-O 3.13Å; F68-L96 HydrophobicContact CE1-CD1 4.25Å; Y92-L96 HydrophobicContact CD1-CD2 4.4Å; Y92-L96 HydrophobicContact CE1-CD2 3.74Å; Y92-L96 HydrophobicContact CE1-CG 4.48Å; Y92-L96 HydrophobicContact CE2-CD2 4.1Å; Y92-L96 WeakPolarHBondContact O-CG 3.38Å; Y92-L96 PolarHBondContact O-N 3.21Å
97A93.4Very high93.9Very high21 Ų2175.1 Ų75.117%0.17435%0.348CS..SBendtrans-166168.5-175.500000111.1I53 E95 I99I53-A97 HydrophobicContact CD1-CB 3.59Å; I53-A97 HydrophobicContact CG1-CB 3.97Å; E95-A97 PolarHBondContact O-N 2.8Å; A97-I99 PolarHBondContact O-N 3.42Å
98N96.2Very high93.8Very high95 Ų9577.8 Ų77.851%0.50836%0.359SS..EExtended strand (participates in β ladder)trans-73.3110.4167.6-58.3-46.6000109.1E51 D52 I53 F100E51-N98 WeakPolarHBondContact O-CB 3.44Å; E51-N98 PolarHBondContact O-N 2.86Å; D52-N98 CarbonylContact C-O 3.56Å; D52-N98 WeakPolarHBondContact CA-O 3.35Å; D52-N98 WeakPolarHBondContact OD1-CB 3.24Å; D52-N98 PolarHBondContact OD1-ND2 3.11Å; I53-N98 PolarHBondContact N-O 2.91Å; N98-F100 HydrophobicContact CB-CE2 3.71Å; N98-F100 HydrophobicContact CB-CZ 4.14Å
99I96.8Very high93.8Very high34 Ų3471.6 Ų71.617%0.17433%0.333CS..EExtended strand (participates in β ladder)trans-100.6127.3-177.3-63.2167.5000110.5V42 I53 I55 F68 A97 Y101V42-I99 HydrophobicContact CG1-CD1 4.18Å; I53-I99 HydrophobicContact CB-CG1 4.36Å; I53-I99 CarbonylContact O-C 3.55Å; I53-I99 WeakPolarHBondContact O-CA 3.46Å; I55-I99 HydrophobicContact CD1-CG2 3.7Å; I55-I99 HydrophobicContact CG1-CG2 4.05Å; F68-I99 HydrophobicContact CB-CD1 3.51Å; F68-I99 HydrophobicContact CD1-CD1 3.45Å; F68-I99 VanDerWaalsContact CD1-CD1 3.45Å; F68-I99 HydrophobicContact CD2-CD1 4.04Å; F68-I99 HydrophobicContact CE1-CD1 4.13Å; F68-I99 HydrophobicContact CG-CD1 3.41Å; F68-I99 VanDerWaalsContact CG-CD1 3.41Å; A97-I99 PolarHBondContact O-N 3.42Å; I99-Y101 HydrophobicContact CG2-CE1 3.94Å; I99-Y101 HydrophobicContact CG2-CE2 3.81Å; I99-Y101 VanDerWaalsContact CG2-CZ 3.43Å; I99-Y101 WeakPolarHBondContact CG2-OH 3.36Å
100F96.5Very high93.9Very high85 Ų8567.8 Ų67.837%0.37332%0.318SS..EExtended strand (participates in β ladder)trans-119.1150.9176.6-57.3-87.4000109.8D52 I53 I54 I55 N98D52-F100 HydrophobicContact CB-CD2 4.31Å; D52-F100 HydrophobicContact CB-CE2 3.89Å; I53-F100 PolarHBondContact O-N 3.19Å; I54-F100 CarbonylContact C-O 3.14Å; I54-F100 WeakPolarHBondContact CA-O 3.34Å; I54-F100 HydrophobicContact CG1-CB 4.36Å; I55-F100 PolarHBondContact N-O 3.46Å; N98-F100 HydrophobicContact CB-CE2 3.71Å; N98-F100 HydrophobicContact CB-CZ 4.14Å
101Y95.8Very high94.1Very high68 Ų6866.1 Ų66.127%0.26731%0.308SS..EExtended strand (participates in β ladder)trans-120.2131.6-178.5-58.3-84.8000111I55 T57 I64 E65 I99I55-Y101 HydrophobicContact CB-CD1 3.98Å; I55-Y101 HydrophobicContact CB-CE1 4.1Å; I55-Y101 HydrophobicContact CD1-CE1 3.95Å; I55-Y101 HydrophobicContact CG1-CE1 4.42Å; I55-Y101 WeakPolarHBondContact O-CA 3.41Å; T57-Y101 HydrophobicContact CG2-CD1 4.23Å; I64-Y101 HydrophobicContact CG2-CE1 4.27Å; E65-Y101 WeakPolarHBondContact CA-OH 3.45Å; E65-Y101 HydrophobicContact CB-CE1 4.27Å; E65-Y101 HydrophobicContact CB-CE2 4.33Å; E65-Y101 HydrophobicContact CG-CD1 3.6Å; E65-Y101 HydrophobicContact CG-CD2 3.95Å; E65-Y101 HydrophobicContact CG-CE1 3.55Å; E65-Y101 HydrophobicContact CG-CE2 3.92Å; E65-Y101 HydrophobicContact CG-CG 3.8Å; I99-Y101 HydrophobicContact CG2-CE1 3.94Å; I99-Y101 HydrophobicContact CG2-CE2 3.81Å; I99-Y101 VanDerWaalsContact CG2-CZ 3.43Å; I99-Y101 WeakPolarHBondContact CG2-OH 3.36Å
102V95.3Very high94.2Very high13 Ų1364.9 Ų64.98%0.07930%0.302CS..EExtended strand (participates in β ladder)trans-124131.3173.9175.80000109.1I54 I55 V56 T57 S116 F120I54-V102 HydrophobicContact CG2-CB 4.11Å; I54-V102 HydrophobicContact CG2-CG2 3.56Å; I55-V102 PolarHBondContact O-N 2.85Å; V56-V102 CarbonylContact C-O 3.59Å; V56-V102 VanDerWaalsContact CA-O 3.25Å; V56-V102 WeakPolarHBondContact CA-O 3.31Å; V56-V102 HydrophobicContact CG2-CB 4.4Å; T57-V102 PolarHBondContact N-O 2.73Å; V102-S116 WeakPolarHBondContact CG1-O 3.45Å; V102-F120 HydrophobicContact CG2-CD2 3.36Å; V102-F120 HydrophobicContact CG2-CE2 3.32Å; V102-F120 HydrophobicContact CG2-CG 4.03Å; V102-F120 HydrophobicContact CG2-CZ 3.93Å
103R94.2Very high94.3Very high143 Ų14359.6 Ų59.654%0.5428%0.282SS..EExtended strand (participates in β ladder)trans-88.3118.4-178-166.4173.4-173.4174.64.5111.7T57 R59 K105T57-R103 CarbonylContact O-C 3.48Å; T57-R103 WeakPolarHBondContact O-CA 3.39Å; R59-R103 VanDerWaalsContact CG-NH2 3.31Å; R103-K105 PolarHBondContact O-N 2.89Å
104Q94.6Very high94.6Very high12 Ų1259.2 Ų59.26%0.05628%0.279CS..  trans-74.4104.5162.5180169.718.600109.2A12 V56 T57 E106 G109 H112 A113A12-Q104 HydrophobicContact CB-CB 3.83Å; A12-Q104 HydrophobicContact CB-CG 4.38Å; V56-Q104 HydrophobicContact CG1-CB 3.78Å; T57-Q104 PolarHBondContact O-N 3.02Å; Q104-E106 VanDerWaalsContact C-N 3.32Å; Q104-E106 WeakPolarHBondContact CG-O 3.32Å; Q104-E106 PolarHBondContact NE2-O 2.76Å; Q104-E106 PolarHBondContact O-N 2.8Å; Q104-G109 PolarHBondContact NE2-O 3.5Å; Q104-H112 PolarHBondContact NE2-ND1 3.43Å; Q104-H112 VanDerWaalsContact NE2-ND1 3.11Å; Q104-A113 VanDerWaalsContact OE1-CB 3.28Å
105K91.4Very high94.9Very high171 Ų17158.7 Ų58.774%0.74328%0.277SS*.SBendtrans-64.6-35.6-175.9-64178.8-177175.30113.2R103R103-K105 PolarHBondContact O-N 2.89Å
106E91.1Very high95.1Very high107 Ų10753 Ų5350%0.526%0.255SS..SBendtrans-136.9135.1-178.2-62178.5141.700109.7Q104 K108 H112Q104-E106 VanDerWaalsContact C-N 3.32Å; Q104-E106 WeakPolarHBondContact CG-O 3.32Å; Q104-E106 PolarHBondContact NE2-O 2.76Å; Q104-E106 PolarHBondContact O-N 2.8Å; E106-K108 VanDerWaalsContact C-N 3.26Å; E106-K108 HydrophobicContact CB-CD 4.24Å; E106-K108 HydrophobicContact CB-CG 4.11Å; E106-K108 PolarHBondContact O-N 3.49Å; E106-K108 WeakPolarHBondContact OE2-CE 3.27Å; E106-K108 IonicContact OE2-NZ 3.83Å; E106-K108 PolarHBondContact OE2-NZ 3.18Å; E106-H112 PolarHBondContact O-CE1 3.22Å; E106-H112 PolarHBondContact O-ND1 2.68Å
107Q90.4Very high95.3Very high95 Ų9551.9 Ų51.944%0.44425%0.249SC..  trans-79.774.5179.9-73.6170.9-1900110.7A12 G109A12-Q107 PolarHBondContact O-NE2 3.44Å; Q107-G109 VanDerWaalsContact C-N 3.35Å
108K94.7Very high95.5Very high81 Ų8155.2 Ų55.235%0.35226%0.257SS..  trans-94.222.3179.1-70.5175.7161.3165.20113.5E106 H112 I228E106-K108 VanDerWaalsContact C-N 3.26Å; E106-K108 HydrophobicContact CB-CD 4.24Å; E106-K108 HydrophobicContact CB-CG 4.11Å; E106-K108 PolarHBondContact O-N 3.49Å; E106-K108 WeakPolarHBondContact OE2-CE 3.27Å; E106-K108 IonicContact OE2-NZ 3.83Å; E106-K108 PolarHBondContact OE2-NZ 3.18Å; K108-H112 HydrophobicContact CB-CB 3.79Å; K108-I228 HydrophobicContact CB-CD1 4.4Å; K108-I228 VanDerWaalsContact O-CB 3.3Å; K108-I228 WeakPolarHBondContact O-CB 3.5Å; K108-I228 PolarHBondContact O-N 3.1Å
109G95.1Very high95.4Very high10 Ų1059.4 Ų59.410%0.10327%0.274CS..  trans97.2174.6-17800000115.7Q104 Q107 H112 A113 I228Q104-G109 PolarHBondContact NE2-O 3.5Å; Q107-G109 VanDerWaalsContact C-N 3.35Å; G109-H112 PolarHBondContact O-N 3.09Å; G109-A113 PolarHBondContact O-N 3.3Å; G109-A113 VanDerWaalsContact O-N 3.11Å; G109-I228 CarbonylContact C-O 3.57Å
110L95.7Very high95.3Very high37 Ų3762.7 Ų62.719%0.19429%0.287CS..Hα-helixtrans-64.2-46.2-174.7176.260.1000112.6P10 H112 A113 I114 L130 I228 L230P10-L110 HydrophobicContact CB-CD1 3.89Å; P10-L110 HydrophobicContact CG-CD1 3.59Å; L110-H112 VanDerWaalsContact C-N 3.25Å; L110-H112 PolarHBondContact O-N 3.23Å; L110-A113 WeakPolarHBondContact O-CA 3.16Å; L110-A113 VanDerWaalsContact O-CB 3.29Å; L110-A113 WeakPolarHBondContact O-CB 3.26Å; L110-A113 PolarHBondContact O-N 2.93Å; L110-I114 HydrophobicContact CD1-CD1 4.33Å; L110-I114 HydrophobicContact CD1-CG1 4.36Å; L110-I114 WeakPolarHBondContact O-CG1 3.47Å; L110-I114 PolarHBondContact O-N 3.1Å; L110-L130 HydrophobicContact CD1-CD2 3.7Å; L110-L130 HydrophobicContact CD2-CD2 3.97Å; L110-I228 PolarHBondContact N-O 2.82Å; L110-L230 HydrophobicContact CD2-CB 3.91Å; L110-L230 HydrophobicContact CD2-CD2 4.22Å; L110-L230 HydrophobicContact CG-CB 3.95Å; L110-L230 HydrophobicContact CG-CD2 4.42Å
111G97.3Very high95.4Very high0 Ų058.7 Ų58.70%027%0.269CS..Hα-helixtrans-60.1-37.1178.400000112.1I114 S115 L217 I228G111-I114 PolarHBondContact O-N 2.69Å; G111-S115 VanDerWaalsContact O-CB 3.3Å; G111-S115 WeakPolarHBondContact O-CB 3.36Å; G111-S115 PolarHBondContact O-N 3.41Å; G111-L217 VanDerWaalsContact CA-CD2 3.46Å; G111-L217 WeakPolarHBondContact O-CD2 3.31Å; G111-I228 WeakPolarHBondContact CA-O 3.18Å; G111-I228 PolarHBondContact N-O 3.49Å
112H97.2Very high95.3Very high45 Ų4557.2 Ų57.221%0.20828%0.275CS..Hα-helixtrans-67-38.6172.7-178.7-85.6000112.6Q104 E106 K108 G109 L110 S115 S116 I228Q104-H112 PolarHBondContact NE2-ND1 3.43Å; Q104-H112 VanDerWaalsContact NE2-ND1 3.11Å; E106-H112 PolarHBondContact O-CE1 3.22Å; E106-H112 PolarHBondContact O-ND1 2.68Å; K108-H112 HydrophobicContact CB-CB 3.79Å; G109-H112 PolarHBondContact O-N 3.09Å; L110-H112 VanDerWaalsContact C-N 3.25Å; L110-H112 PolarHBondContact O-N 3.23Å; H112-S115 PolarHBondContact O-N 2.99Å; H112-S116 PolarHBondContact O-N 2.95Å; H112-I228 HydrophobicContact CB-CB 4.25Å; H112-I228 HydrophobicContact CB-CD1 4.18Å
113A96.6Very high95.3Very high2 Ų262 Ų622%0.01730%0.3CS..Hα-helixtrans-58.7-48.9175.100000110.7P10 V56 Q104 G109 L110 S116P10-A113 HydrophobicContact CB-CB 4.12Å; V56-A113 HydrophobicContact CG1-CB 4.07Å; Q104-A113 VanDerWaalsContact OE1-CB 3.28Å; G109-A113 PolarHBondContact O-N 3.3Å; G109-A113 VanDerWaalsContact O-N 3.11Å; L110-A113 WeakPolarHBondContact O-CA 3.16Å; L110-A113 VanDerWaalsContact O-CB 3.29Å; L110-A113 WeakPolarHBondContact O-CB 3.26Å; L110-A113 PolarHBondContact O-N 2.93Å; A113-S116 WeakPolarHBondContact O-CB 3.16Å; A113-S116 PolarHBondContact O-N 3.35Å; A113-S116 PolarHBondContact O-OG 3.38Å
114I97.9Very high95.5Very high0 Ų058.4 Ų58.40%029%0.289CS..Hα-helixtrans-61.5-47.9176.6-56.2-46.6000110.8I8 P10 L110 G111 S116 A117 F126 V128 F214 L217 L230I8-I114 HydrophobicContact CB-CD1 4.3Å; I8-I114 HydrophobicContact CD1-CG2 3.96Å; I8-I114 HydrophobicContact CG2-CD1 3.67Å; P10-I114 HydrophobicContact CB-CD1 4.32Å; P10-I114 HydrophobicContact CG-CD1 4.15Å; L110-I114 HydrophobicContact CD1-CD1 4.33Å; L110-I114 HydrophobicContact CD1-CG1 4.36Å; L110-I114 WeakPolarHBondContact O-CG1 3.47Å; L110-I114 PolarHBondContact O-N 3.1Å; G111-I114 PolarHBondContact O-N 2.69Å; I114-S116 PolarHBondContact O-N 2.68Å; I114-S116 VanDerWaalsContact O-N 3.14Å; I114-A117 PolarHBondContact O-N 2.9Å; I114-F126 HydrophobicContact CG2-CE2 4Å; I114-F126 HydrophobicContact CG2-CZ 4.19Å; I114-V128 HydrophobicContact CD1-CB 4.49Å; I114-V128 HydrophobicContact CD1-CG1 3.53Å; I114-V128 HydrophobicContact CD1-CG2 4.09Å; I114-V128 HydrophobicContact CG1-CG1 4.4Å; I114-V128 HydrophobicContact CG2-CG2 4.48Å; I114-F214 HydrophobicContact CG2-CE1 4.13Å; I114-F214 WeakPolarHBondContact O-CE1 3.43Å; I114-L217 HydrophobicContact CB-CD1 4.18Å; I114-L217 HydrophobicContact CG2-CD1 4.03Å; I114-L230 HydrophobicContact CG1-CD2 4.26Å
115S97.5Very high95.6Very high34 Ų3458.1 Ų58.124%0.23829%0.288CS..Hα-helixtrans-55.4-33.5178.8-171.50000113.3G111 H112 A117 R118G111-S115 VanDerWaalsContact O-CB 3.3Å; G111-S115 WeakPolarHBondContact O-CB 3.36Å; G111-S115 PolarHBondContact O-N 3.41Å; H112-S115 PolarHBondContact O-N 2.99Å; S115-A117 PolarHBondContact O-N 3.03Å; S115-R118 VanDerWaalsContact O-CB 3.28Å; S115-R118 WeakPolarHBondContact O-CB 3.45Å; S115-R118 PolarHBondContact O-N 2.93Å; S115-R118 VanDerWaalsContact O-N 3.11Å
116S96.5Very high96Very high37 Ų3750 Ų5026%0.25925%0.253SS..Hα-helixtrans-62.2-25.3178.977.50000113.9V56 V102 H112 A113 I114V56-S116 WeakPolarHBondContact CG1-OG 3.18Å; V102-S116 WeakPolarHBondContact CG1-O 3.45Å; H112-S116 PolarHBondContact O-N 2.95Å; A113-S116 WeakPolarHBondContact O-CB 3.16Å; A113-S116 PolarHBondContact O-N 3.35Å; A113-S116 PolarHBondContact O-OG 3.38Å; I114-S116 PolarHBondContact O-N 2.68Å; I114-S116 VanDerWaalsContact O-N 3.14Å
117A96.9Very high96.3Very high0 Ų044.9 Ų44.90%023%0.229CC..THydrogen-bonded Turntrans-91.53.6179.100000113.9I8 I54 V56 I114 S115 Q119 F120 I121I8-A117 HydrophobicContact CD1-CB 3.6Å; I8-A117 HydrophobicContact CG1-CB 4.03Å; I54-A117 HydrophobicContact CG2-CB 4.01Å; V56-A117 HydrophobicContact CG2-CB 4.09Å; I114-A117 PolarHBondContact O-N 2.9Å; S115-A117 PolarHBondContact O-N 3.03Å; A117-Q119 VanDerWaalsContact C-N 3.28Å; A117-Q119 PolarHBondContact O-N 2.82Å; A117-Q119 VanDerWaalsContact O-N 3.12Å; A117-F120 PolarHBondContact O-N 2.81Å; A117-I121 PolarHBondContact O-N 3.35Å; A117-I121 VanDerWaalsContact O-N 3.15Å
118R97Very high96.8Very high90 Ų9040.3 Ų40.334%0.3421%0.208SC..Hα-helixtrans-47.9-45.5-176.5-178.9178.7-177.6133.94.8113.7S115 F120 I121 G122 F214 D215S115-R118 VanDerWaalsContact O-CB 3.28Å; S115-R118 WeakPolarHBondContact O-CB 3.45Å; S115-R118 PolarHBondContact O-N 2.93Å; S115-R118 VanDerWaalsContact O-N 3.11Å; R118-F120 VanDerWaalsContact C-N 3.3Å; R118-F120 PolarHBondContact O-N 2.92Å; R118-I121 PolarHBondContact O-N 2.89Å; R118-G122 PolarHBondContact O-N 3.07Å; R118-F214 HydrophobicContact CB-CD1 3.68Å; R118-F214 HydrophobicContact CB-CD2 4.48Å; R118-F214 HydrophobicContact CB-CE1 3.81Å; R118-F214 HydrophobicContact CB-CG 4.05Å; R118-F214 HydrophobicContact CB-CZ 4.29Å; R118-F214 HydrophobicContact CG-CB 3.97Å; R118-F214 HydrophobicContact CG-CD1 3.87Å; R118-F214 HydrophobicContact CG-CD2 3.99Å; R118-F214 HydrophobicContact CG-CE1 4.34Å; R118-F214 HydrophobicContact CG-CE2 4.45Å; R118-F214 HydrophobicContact CG-CG 3.69Å; R118-F214 VanDerWaalsContact NH1-CB 3.25Å; R118-F214 PolarHBondContact NH1-O 2.9Å; R118-D215 IonicContact CZ-OD1 2.65Å; R118-D215 VanDerWaalsContact CZ-OD1 3.25Å; R118-D215 IonicContact NH1-OD1 2.75Å; R118-D215 PolarHBondContact NH1-OD1 3.48Å; R118-D215 IonicContact NH2-OD1 3.25Å; R118-D215 PolarHBondContact NH2-OD1 3.06Å
119Q94.8Very high96.9Very high184 Ų18436.5 Ų36.586%0.8619%0.191SC*.Hα-helixtrans-68-28.8-176.8-70.9-172.6-17.100113.3A117A117-Q119 VanDerWaalsContact C-N 3.28Å; A117-Q119 PolarHBondContact O-N 2.82Å; A117-Q119 VanDerWaalsContact O-N 3.12Å
120F95.6Very high97Very high103 Ų10337.2 Ų37.245%0.45219%0.193SC..Hα-helixtrans-79.9-37.5178.5-71.8-92.8000111.8K6 I54 V102 A117 R118K6-F120 PolarHBondContact NZ-O 2.98Å; I54-F120 HydrophobicContact CG1-CB 4.15Å; V102-F120 HydrophobicContact CG2-CD2 3.36Å; V102-F120 HydrophobicContact CG2-CE2 3.32Å; V102-F120 HydrophobicContact CG2-CG 4.03Å; V102-F120 HydrophobicContact CG2-CZ 3.93Å; A117-F120 PolarHBondContact O-N 2.81Å; R118-F120 VanDerWaalsContact C-N 3.3Å; R118-F120 PolarHBondContact O-N 2.92Å
121I97.2Very high96.8Very high0 Ų035.5 Ų35.50%018%0.184CC..Hα-helixtrans-67.1-47.5173.8-61.4-52000110.8K6 I8 I54 A117 R118 E124 F126 F214K6-I121 HydrophobicContact CB-CD1 3.85Å; K6-I121 HydrophobicContact CD-CD1 4.11Å; K6-I121 PolarHBondContact NZ-O 3.42Å; I8-I121 HydrophobicContact CD1-CD1 4.06Å; I8-I121 HydrophobicContact CD1-CG1 3.76Å; I8-I121 HydrophobicContact CG1-CD1 3.91Å; I8-I121 HydrophobicContact CG1-CG1 4.18Å; I54-I121 HydrophobicContact CD1-CD1 3.82Å; A117-I121 PolarHBondContact O-N 3.35Å; A117-I121 VanDerWaalsContact O-N 3.15Å; R118-I121 PolarHBondContact O-N 2.89Å; I121-E124 WeakPolarHBondContact CG2-O 3.35Å; I121-F126 HydrophobicContact CD1-CB 3.9Å; I121-F126 HydrophobicContact CD1-CD2 4.28Å; I121-F126 HydrophobicContact CD1-CG 4.08Å; I121-F126 HydrophobicContact CG1-CB 4.46Å; I121-F126 HydrophobicContact CG1-CD1 4.44Å; I121-F126 HydrophobicContact CG1-CD2 4.31Å; I121-F126 HydrophobicContact CG1-CG 4.15Å; I121-F126 HydrophobicContact CG2-CB 4.04Å; I121-F126 HydrophobicContact CG2-CD1 3.48Å; I121-F126 VanDerWaalsContact CG2-CD1 3.48Å; I121-F126 HydrophobicContact CG2-CE1 4.08Å; I121-F126 HydrophobicContact CG2-CG 3.85Å; I121-F214 HydrophobicContact CB-CE2 3.85Å; I121-F214 HydrophobicContact CB-CZ 3.97Å; I121-F214 HydrophobicContact CG1-CE2 4.26Å; I121-F214 HydrophobicContact CG1-CZ 3.89Å; I121-F214 HydrophobicContact CG2-CE2 3.78Å; I121-F214 HydrophobicContact CG2-CZ 4.27Å
122G94.9Very high96.4Very high38 Ų3836.9 Ų36.939%0.39219%0.191SC..  trans73-138.6-174.200000111.4R118R118-G122 PolarHBondContact O-N 3.07Å
123N95.6Very high96.2Very high114 Ų11435.1 Ų35.161%0.6118%0.184SC*.SBendtrans-106.254.3-179.6-166.431000111.2K2 P211K2-N123 PolarHBondContact NZ-O 3.11Å; N123-P211 WeakPolarHBondContact OD1-CB 3.1Å; N123-P211 WeakPolarHBondContact OD1-CG 3.36Å
124E97Very high96.2Very high67 Ų6735.2 Ų35.231%0.31318%0.184SC..SBendtrans-130.4146.7-176.3-66.4178.3177.700110.1K2 K6 I121K2-E124 HydrophobicContact CD-CG 4.15Å; K6-E124 WeakPolarHBondContact CE-OE2 2.78Å; K6-E124 IonicContact NZ-OE2 3.99Å; K6-E124 PolarHBondContact NZ-OE2 2.88Å; I121-E124 WeakPolarHBondContact CG2-O 3.35Å
125P98Very high96.1Very high5 Ų536 Ų363%0.03219%0.188CC..  trans-66.8147.4170.335-40000109.7K2 I4 Y149 L209K2-P125 HydrophobicContact CB-CG 4.01Å; K2-P125 WeakPolarHBondContact O-CG 3.28Å; I4-P125 HydrophobicContact CD1-CB 4.47Å; I4-P125 HydrophobicContact CG1-CB 3.84Å; I4-P125 HydrophobicContact CG1-CG 3.84Å; P125-Y149 HydrophobicContact CB-CE1 4.16Å; P125-Y149 HydrophobicContact CB-CE2 4.05Å; P125-Y149 WeakPolarHBondContact CB-OH 3.44Å; P125-Y149 HydrophobicContact CG-CE1 4.13Å; P125-Y149 VanDerWaalsContact CG-OH 3.31Å; P125-Y149 WeakPolarHBondContact CG-OH 3.48Å; P125-L209 WeakPolarHBondContact CA-O 3.15Å
126F98.7Very high96Very high0 Ų037.4 Ų37.40%019%0.191CC..EExtended strand (participates in β ladder)trans-148.9154.3-173.664.5-77.3000111.3K6 I8 I114 I121 V128 L209 I213 F214K6-F126 HydrophobicContact CB-CB 4.27Å; K6-F126 CarbonylContact O-C 3.52Å; K6-F126 VanDerWaalsContact O-CA 3.3Å; K6-F126 WeakPolarHBondContact O-CA 3.3Å; K6-F126 WeakPolarHBondContact O-CB 3.48Å; I8-F126 HydrophobicContact CD1-CD2 3.78Å; I8-F126 HydrophobicContact CD1-CE2 3.6Å; I8-F126 HydrophobicContact CD1-CZ 4.48Å; I8-F126 HydrophobicContact CG1-CD2 4.13Å; I8-F126 HydrophobicContact CG1-CE2 4.39Å; I114-F126 HydrophobicContact CG2-CE2 4Å; I114-F126 HydrophobicContact CG2-CZ 4.19Å; I121-F126 HydrophobicContact CD1-CB 3.9Å; I121-F126 HydrophobicContact CD1-CD2 4.28Å; I121-F126 HydrophobicContact CD1-CG 4.08Å; I121-F126 HydrophobicContact CG1-CB 4.46Å; I121-F126 HydrophobicContact CG1-CD1 4.44Å; I121-F126 HydrophobicContact CG1-CD2 4.31Å; I121-F126 HydrophobicContact CG1-CG 4.15Å; I121-F126 HydrophobicContact CG2-CB 4.04Å; I121-F126 HydrophobicContact CG2-CD1 3.48Å; I121-F126 VanDerWaalsContact CG2-CD1 3.48Å; I121-F126 HydrophobicContact CG2-CE1 4.08Å; I121-F126 HydrophobicContact CG2-CG 3.85Å; F126-V128 HydrophobicContact CD2-CG2 3.95Å; F126-V128 HydrophobicContact CE2-CG2 3.57Å; F126-L209 HydrophobicContact CD1-CB 4.45Å; F126-L209 WeakPolarHBondContact CD1-O 3.41Å; F126-L209 HydrophobicContact CE1-CB 3.92Å; F126-L209 HydrophobicContact CE2-CB 4.21Å; F126-L209 HydrophobicContact CE2-CD1 4.06Å; F126-L209 HydrophobicContact CZ-CB 3.8Å; F126-L209 HydrophobicContact CZ-CD1 4.01Å; F126-L209 PolarHBondContact N-O 2.78Å; F126-L209 PolarHBondContact O-N 2.93Å; F126-I213 HydrophobicContact CE1-CG2 3.86Å; F126-I213 HydrophobicContact CZ-CG2 3.67Å; F126-F214 HydrophobicContact CD1-CE2 4.26Å; F126-F214 HydrophobicContact CE1-CD2 4.3Å; F126-F214 AromaticContact CE1-CE2 3.47Å; F126-F214 HydrophobicContact CE1-CE2 3.47Å; F126-F214 VanDerWaalsContact CE1-CE2 3.47Å; F126-F214 AromaticContact CE1-CZ 3.76Å; F126-F214 HydrophobicContact CE1-CZ 3.76Å; F126-F214 HydrophobicContact CE2-CZ 4.21Å; F126-F214 HydrophobicContact CZ-CE1 4.27Å; F126-F214 AromaticContact CZ-CE2 3.75Å; F126-F214 HydrophobicContact CZ-CE2 3.75Å; F126-F214 AromaticContact CZ-CZ 3.53Å; F126-F214 HydrophobicContact CZ-CZ 3.53Å
127A98.8Very high96Very high0 Ų037.2 Ų37.20%019%0.19CC..EExtended strand (participates in β ladder)trans-87.9154.1171.800000111.6I4 K6 A7 I8 I50 L129 V142 Y207I4-A127 HydrophobicContact CG2-CB 4.46Å; K6-A127 PolarHBondContact O-N 2.81Å; A7-A127 CarbonylContact C-O 3.59Å; A7-A127 WeakPolarHBondContact CA-O 3.09Å; A7-A127 HydrophobicContact CB-CB 4Å; I8-A127 PolarHBondContact N-O 3.05Å; I50-A127 HydrophobicContact CD1-CB 3.89Å; A127-L129 HydrophobicContact CB-CD1 3.96Å; A127-V142 HydrophobicContact CB-CG2 3.54Å; A127-Y207 CarbonylContact C-O 3.6Å; A127-Y207 WeakPolarHBondContact CA-O 3.45Å
128V98.8Very high96Very high0 Ų045.9 Ų45.90%023%0.23CC..EExtended strand (participates in β ladder)trans-125.6129.2163.9-177.20000107.9I8 P10 I114 F126 L130 R206 Y207 L209I8-V128 HydrophobicContact CB-CG2 4.4Å; I8-V128 WeakPolarHBondContact O-CA 3.33Å; P10-V128 HydrophobicContact CG-CG1 4.42Å; I114-V128 HydrophobicContact CD1-CB 4.49Å; I114-V128 HydrophobicContact CD1-CG1 3.53Å; I114-V128 HydrophobicContact CD1-CG2 4.09Å; I114-V128 HydrophobicContact CG1-CG1 4.4Å; I114-V128 HydrophobicContact CG2-CG2 4.48Å; F126-V128 HydrophobicContact CD2-CG2 3.95Å; F126-V128 HydrophobicContact CE2-CG2 3.57Å; V128-L130 HydrophobicContact CG1-CD2 4.4Å; V128-R206 WeakPolarHBondContact O-CA 3.48Å; V128-Y207 HydrophobicContact CB-CD2 3.83Å; V128-Y207 HydrophobicContact CB-CG 4.21Å; V128-Y207 HydrophobicContact CG1-CD2 4.05Å; V128-Y207 PolarHBondContact N-O 2.9Å; V128-Y207 PolarHBondContact O-N 3.19Å; V128-L209 HydrophobicContact CG2-CD1 3.75Å
129L98.5Very high96Very high0 Ų044.8 Ų44.80%023%0.233CC..EExtended strand (participates in β ladder)trans-125.5117.6176.2-57.985.8000108.5A7 I8 I9 P10 I41 E44 A45 A127 V142 G205A7-L129 HydrophobicContact CB-CD1 3.77Å; I8-L129 PolarHBondContact O-N 3.32Å; I9-L129 WeakPolarHBondContact CA-O 3.4Å; I9-L129 HydrophobicContact CG1-CB 4.45Å; P10-L129 WeakPolarHBondContact CD-O 3.46Å; I41-L129 HydrophobicContact CG2-CB 3.41Å; I41-L129 VanDerWaalsContact CG2-CB 3.41Å; I41-L129 HydrophobicContact CG2-CD2 3.89Å; I41-L129 HydrophobicContact CG2-CG 4.28Å; E44-L129 HydrophobicContact CB-CD2 4.38Å; E44-L129 HydrophobicContact CG-CD2 4.41Å; A45-L129 HydrophobicContact CB-CD1 4.27Å; A45-L129 HydrophobicContact CB-CD2 4.22Å; A127-L129 HydrophobicContact CB-CD1 3.96Å; L129-V142 HydrophobicContact CD1-CG2 4.24Å; L129-V142 HydrophobicContact CD2-CB 4.23Å; L129-V142 HydrophobicContact CD2-CG1 4.24Å; L129-V142 HydrophobicContact CG-CB 4.49Å; L129-V142 HydrophobicContact CG-CG2 4.37Å; L129-G205 WeakPolarHBondContact CA-O 3.37Å
130L96.6Very high96.2Very high25 Ų2536.7 Ų36.713%0.13120%0.197CC..  trans-68.5135.4179.1-58.5-170.5000110.7P10 L110 V128 D132 D133 G205 Y207P10-L130 HydrophobicContact CG-CD2 3.57Å; L110-L130 HydrophobicContact CD1-CD2 3.7Å; L110-L130 HydrophobicContact CD2-CD2 3.97Å; V128-L130 HydrophobicContact CG1-CD2 4.4Å; L130-D132 PolarHBondContact O-N 2.78Å; L130-D132 VanDerWaalsContact O-N 3.08Å; L130-D133 PolarHBondContact O-N 3.41Å; L130-G205 PolarHBondContact N-O 2.94Å; L130-Y207 HydrophobicContact CD1-CE2 4.38Å; L130-Y207 HydrophobicContact CD2-CE2 4.19Å; L130-Y207 HydrophobicContact CG-CE2 4.08Å
131G91.5Very high96.3Very high1 Ų131.8 Ų31.81%0.0118%0.175CC..THydrogen-bonded Turntrans-72.13-171.500000115.9T37T37-G131 VanDerWaalsContact CG2-O 3.25Å; T37-G131 WeakPolarHBondContact CG2-O 3.29Å
132D89.7Confident96.4Very high29 Ų2931.8 Ų31.816%0.15518%0.175CC..THydrogen-bonded Turntrans-1265.9-179.651.2-14.1000114.4K27 L130 V255K27-D132 IonicContact NZ-OD2 3.89Å; K27-D132 PolarHBondContact NZ-OD2 3.42Å; L130-D132 PolarHBondContact O-N 2.78Å; L130-D132 VanDerWaalsContact O-N 3.08Å; D132-V255 VanDerWaalsContact O-CG2 3.24Å; D132-V255 WeakPolarHBondContact O-CG2 3.46Å; D132-V255 PolarHBondContact O-N 2.75Å; D132-V255 VanDerWaalsContact O-N 3.11Å
133D92.6Very high96.6Very high9 Ų932.7 Ų32.75%0.04817%0.168CC..EExtended strand (participates in β ladder)trans-111.598.8176.4-75.2-57.5000109.7I41 L130 G205 R206 R252I41-D133 WeakPolarHBondContact CD1-O 3.23Å; L130-D133 PolarHBondContact O-N 3.41Å; D133-G205 VanDerWaalsContact OD2-CA 3.31Å; D133-G205 WeakPolarHBondContact OD2-CA 3Å; D133-R206 PolarHBondContact O-NH1 3.13Å; D133-R206 VanDerWaalsContact O-NH1 3.07Å; D133-R206 PolarHBondContact O-NH2 2.94Å; D133-R252 IonicContact OD1-CZ 3.03Å; D133-R252 IonicContact OD1-NE 2.92Å; D133-R252 PolarHBondContact OD1-NE 2.97Å; D133-R252 IonicContact OD1-NH2 2.9Å; D133-R252 PolarHBondContact OD1-NH2 3.39Å
134I96.1Very high96.7Very high4 Ų427.8 Ų27.82%0.02114%0.142CC..EExtended strand (participates in β ladder)trans-83.8135.6171.3-59.5171.3000107.9I32 T37 Y40 I41 R252 Y253 V255I32-I134 HydrophobicContact CG1-CD1 4.13Å; T37-I134 HydrophobicContact CG2-CD1 4.11Å; T37-I134 HydrophobicContact CG2-CG1 4.05Å; Y40-I134 HydrophobicContact CD1-CG2 4.34Å; Y40-I134 HydrophobicContact CD2-CD1 3.81Å; Y40-I134 HydrophobicContact CE2-CD1 4.34Å; Y40-I134 HydrophobicContact CG-CD1 4.02Å; Y40-I134 HydrophobicContact CG-CG1 4.41Å; Y40-I134 HydrophobicContact CG-CG2 4.27Å; I41-I134 HydrophobicContact CD1-CG1 4.17Å; I134-R252 CarbonylContact O-C 3.46Å; I134-R252 WeakPolarHBondContact O-CA 3.49Å; I134-Y253 HydrophobicContact CG2-CD2 4.36Å; I134-Y253 PolarHBondContact N-O 3.49Å; I134-Y253 PolarHBondContact O-N 3.35Å; I134-V255 HydrophobicContact CD1-CG1 4.06Å; I134-V255 HydrophobicContact CD1-CG2 4.12Å; I134-V255 HydrophobicContact CG1-CG2 4.2Å
135V96.8Very high96.8Very high15 Ų1524.6 Ų24.69%0.09113%0.127CC..EExtended strand (participates in β ladder)trans-127.2119.1174.2-175.80000109.4A141 F248 E251 R252V135-A141 HydrophobicContact CB-CB 4.16Å; V135-A141 HydrophobicContact CG1-CB 3.75Å; V135-F248 HydrophobicContact CG1-CD2 4.21Å; V135-F248 HydrophobicContact CG1-CE2 3.73Å; V135-F248 HydrophobicContact CG2-CE2 4.08Å; V135-F248 HydrophobicContact CG2-CZ 4.21Å; V135-E251 WeakPolarHBondContact CA-O 3.31Å; V135-R252 HydrophobicContact CG2-CB 4.37Å; V135-R252 HydrophobicContact CG2-CG 4.39Å
136E94.6Very high96.8Very high65 Ų6524.6 Ų24.630%0.30413%0.127SC..EExtended strand (participates in β ladder)trans-95.2121173.7-69.4-160.5149.800110.6G250 E251 Y253 Y268 K271E136-G250 CarbonylContact O-C 3.45Å; E136-G250 WeakPolarHBondContact O-CA 3.48Å; E136-E251 PolarHBondContact N-O 3.25Å; E136-E251 PolarHBondContact O-N 3.09Å; E136-Y253 HydrophobicContact CB-CE2 4.3Å; E136-Y253 HydrophobicContact CG-CD2 4.32Å; E136-Y253 HydrophobicContact CG-CE2 3.89Å; E136-Y268 VanDerWaalsContact CG-OH 3.3Å; E136-Y268 WeakPolarHBondContact CG-OH 3.31Å; E136-Y268 WeakPolarHBondContact OE1-CE1 3.32Å; E136-Y268 PolarHBondContact OE1-OH 3.38Å; E136-K271 IonicContact OE2-NZ 2.79Å; E136-K271 PolarHBondContact OE2-NZ 3.02Å
137S96.2Very high96.8Very high32 Ų3227.2 Ų27.222%0.22414%0.141CC..  trans-154.8154.5177-166.40000110.7R47 V139 E249R47-S137 PolarHBondContact NH2-O 3.19Å; S137-V139 WeakPolarHBondContact CB-O 3.48Å; S137-V139 PolarHBondContact OG-O 3.04Å; S137-V139 VanDerWaalsContact OG-O 3.08Å; S137-E249 VanDerWaalsContact CB-O 3.23Å; S137-E249 WeakPolarHBondContact CB-O 3.34Å; S137-E249 PolarHBondContact OG-O 2.85Å
138E96.7Very high96.7Very high183 Ų18327.5 Ų27.586%0.85514%0.143SC*.SBendtrans-61.6-50.9173.5-175.1-179.4173.500110R47R47-E138 PolarHBondContact NH2-O 2.82Å
139V98.1Very high96.7Very high66 Ų6628.1 Ų28.140%0.415%0.145SC..SBendtrans-94.9119.7169.9-1770000108.3S137 A141 K143 Q144S137-V139 WeakPolarHBondContact CB-O 3.48Å; S137-V139 PolarHBondContact OG-O 3.04Å; S137-V139 VanDerWaalsContact OG-O 3.08Å; V139-A141 PolarHBondContact O-N 2.94Å; V139-K143 HydrophobicContact CG1-CB 4.15Å; V139-K143 HydrophobicContact CG1-CG 4Å; V139-Q144 HydrophobicContact CB-CG 4.23Å; V139-Q144 HydrophobicContact CG1-CG 3.77Å; V139-Q144 PolarHBondContact O-NE2 3.07Å
140P98.3Very high96.6Very high14 Ų1432.4 Ų32.49%0.09117%0.165CC..  trans-47134.3179.4-28.734.9000111.9E44 R47 A48 V142 K143 Q144E44-P140 HydrophobicContact CG-CB 3.76Å; R47-P140 HydrophobicContact CB-CG 3.67Å; A48-P140 HydrophobicContact CB-CB 4.17Å; P140-V142 VanDerWaalsContact C-N 3.27Å; P140-V142 HydrophobicContact CB-CG1 4.43Å; P140-V142 PolarHBondContact O-N 2.81Å; P140-K143 HydrophobicContact CB-CB 3.88Å; P140-K143 HydrophobicContact CG-CB 4.28Å; P140-K143 WeakPolarHBondContact O-CA 3.08Å; P140-K143 VanDerWaalsContact O-CB 3.27Å; P140-K143 WeakPolarHBondContact O-CB 2.85Å; P140-K143 PolarHBondContact O-N 3.48Å; P140-Q144 PolarHBondContact O-N 3.08Å; P140-Q144 VanDerWaalsContact O-N 3.14Å
141A98.3Very high96.6Very high1 Ų138.5 Ų38.51%0.00819%0.193CC..Hα-helixtrans-57.9-43-176.700000111.4E44 V135 V139 K143 Q144 L145 R206 F248E44-A141 PolarHBondContact OE1-N 2.86Å; V135-A141 HydrophobicContact CB-CB 4.16Å; V135-A141 HydrophobicContact CG1-CB 3.75Å; V139-A141 PolarHBondContact O-N 2.94Å; A141-K143 VanDerWaalsContact C-N 3.26Å; A141-K143 PolarHBondContact O-N 2.97Å; A141-Q144 WeakPolarHBondContact O-CB 3.37Å; A141-Q144 PolarHBondContact O-N 3.38Å; A141-L145 WeakPolarHBondContact O-CD1 3.35Å; A141-L145 PolarHBondContact O-N 2.86Å; A141-R206 HydrophobicContact CB-CG 4.3Å; A141-F248 HydrophobicContact CB-CB 4.33Å; A141-F248 HydrophobicContact CB-CD1 4.44Å; A141-F248 HydrophobicContact CB-CD2 3.64Å; A141-F248 HydrophobicContact CB-CE2 4.02Å; A141-F248 HydrophobicContact CB-CG 3.89Å
142V98.4Very high96.8Very high0 Ų040 Ų400%020%0.202CC..Hα-helixtrans-60.8-31.8173.3750000113.2E44 A48 I50 A127 L129 P140 L145 I146E44-V142 HydrophobicContact CG-CG1 4.16Å; E44-V142 PolarHBondContact OE1-N 2.8Å; A48-V142 HydrophobicContact CB-CG1 3.4Å; A48-V142 VanDerWaalsContact CB-CG1 3.4Å; I50-V142 HydrophobicContact CD1-CG1 4.32Å; I50-V142 HydrophobicContact CD1-CG2 4.38Å; A127-V142 HydrophobicContact CB-CG2 3.54Å; L129-V142 HydrophobicContact CD1-CG2 4.24Å; L129-V142 HydrophobicContact CD2-CB 4.23Å; L129-V142 HydrophobicContact CD2-CG1 4.24Å; L129-V142 HydrophobicContact CG-CB 4.49Å; L129-V142 HydrophobicContact CG-CG2 4.37Å; P140-V142 VanDerWaalsContact C-N 3.27Å; P140-V142 HydrophobicContact CB-CG1 4.43Å; P140-V142 PolarHBondContact O-N 2.81Å; V142-L145 PolarHBondContact O-N 3.37Å; V142-I146 HydrophobicContact CG2-CD1 4.45Å; V142-I146 VanDerWaalsContact O-CG1 3.25Å; V142-I146 WeakPolarHBondContact O-CG1 3.21Å; V142-I146 PolarHBondContact O-N 3.16Å
143K98.5Very high97.1Very high56 Ų5640 Ų4024%0.24321%0.208CC..Hα-helixtrans-66.9-40.3176.1179.353.9176.9151.20111.4A48 V139 P140 A141 L145 I146 D147A48-K143 HydrophobicContact CB-CB 3.8Å; V139-K143 HydrophobicContact CG1-CB 4.15Å; V139-K143 HydrophobicContact CG1-CG 4Å; P140-K143 HydrophobicContact CB-CB 3.88Å; P140-K143 HydrophobicContact CG-CB 4.28Å; P140-K143 WeakPolarHBondContact O-CA 3.08Å; P140-K143 VanDerWaalsContact O-CB 3.27Å; P140-K143 WeakPolarHBondContact O-CB 2.85Å; P140-K143 PolarHBondContact O-N 3.48Å; A141-K143 VanDerWaalsContact C-N 3.26Å; A141-K143 PolarHBondContact O-N 2.97Å; K143-L145 VanDerWaalsContact C-N 3.28Å; K143-L145 PolarHBondContact O-N 2.82Å; K143-I146 HydrophobicContact CD-CB 4.4Å; K143-I146 HydrophobicContact CD-CG2 4.47Å; K143-I146 WeakPolarHBondContact O-CA 3.3Å; K143-I146 WeakPolarHBondContact O-CB 3.22Å; K143-I146 PolarHBondContact O-N 2.9Å; K143-I146 VanDerWaalsContact O-N 3.07Å; K143-D147 WeakPolarHBondContact CE-OD1 3.3Å; K143-D147 IonicContact NZ-OD1 2.74Å; K143-D147 PolarHBondContact NZ-OD1 2.84Å; K143-D147 VanDerWaalsContact O-CG 3.24Å; K143-D147 PolarHBondContact O-N 2.79Å
144Q98.6Very high97.4Very high12 Ų1242.6 Ų42.66%0.05622%0.22CC..Hα-helixtrans-60.5-39.2175.7-57.917245.800111.6V139 P140 A141 D147 V148 Y246 E249V139-Q144 HydrophobicContact CB-CG 4.23Å; V139-Q144 HydrophobicContact CG1-CG 3.77Å; V139-Q144 PolarHBondContact O-NE2 3.07Å; P140-Q144 PolarHBondContact O-N 3.08Å; P140-Q144 VanDerWaalsContact O-N 3.14Å; A141-Q144 WeakPolarHBondContact O-CB 3.37Å; A141-Q144 PolarHBondContact O-N 3.38Å; Q144-D147 PolarHBondContact O-N 2.98Å; Q144-V148 WeakPolarHBondContact O-CG2 3.47Å; Q144-V148 PolarHBondContact O-N 2.92Å; Q144-Y246 HydrophobicContact CB-CD1 4.17Å; Q144-Y246 HydrophobicContact CB-CE1 3.73Å; Q144-E249 PolarHBondContact NE2-O 2.68Å
145L98.7Very high97.5Very high0 Ų042.5 Ų42.50%022%0.22CC..Hα-helixtrans-68-38173.4-83.658.7000112.3A141 V142 K143 D147 V148 Y149 V156 R206 V208 Y246 F248A141-L145 WeakPolarHBondContact O-CD1 3.35Å; A141-L145 PolarHBondContact O-N 2.86Å; V142-L145 PolarHBondContact O-N 3.37Å; K143-L145 VanDerWaalsContact C-N 3.28Å; K143-L145 PolarHBondContact O-N 2.82Å; L145-D147 VanDerWaalsContact C-N 3.28Å; L145-D147 PolarHBondContact O-N 2.88Å; L145-V148 PolarHBondContact O-N 3.06Å; L145-Y149 PolarHBondContact O-N 3.11Å; L145-V156 HydrophobicContact CB-CB 4.41Å; L145-V156 HydrophobicContact CB-CG1 4.34Å; L145-V156 HydrophobicContact CG-CB 4.42Å; L145-V156 HydrophobicContact CG-CG1 4.02Å; L145-R206 HydrophobicContact CD2-CB 3.83Å; L145-R206 WeakPolarHBondContact CD2-O 3.42Å; L145-V208 HydrophobicContact CB-CB 4.31Å; L145-V208 HydrophobicContact CB-CG2 3.66Å; L145-Y246 HydrophobicContact CD1-CD1 4.2Å; L145-F248 HydrophobicContact CD1-CB 4.21Å; L145-F248 HydrophobicContact CD1-CD1 4.16Å
146I98.5Very high97.6Very high5 Ų541.8 Ų41.83%0.02622%0.215CC..Hα-helixtrans-60.3-41.5175.3-71.2165.3000110I4 A48 I50 V142 K143 Y149 E150 V208I4-I146 HydrophobicContact CB-CD1 4.37Å; I4-I146 HydrophobicContact CB-CG1 4.23Å; I4-I146 HydrophobicContact CD1-CB 4.29Å; I4-I146 HydrophobicContact CD1-CG1 3.75Å; I4-I146 HydrophobicContact CD1-CG2 4.22Å; I4-I146 HydrophobicContact CG2-CD1 4.12Å; I4-I146 HydrophobicContact CG2-CG1 4.21Å; A48-I146 HydrophobicContact CB-CD1 4.22Å; I50-I146 HydrophobicContact CD1-CD1 4.37Å; V142-I146 HydrophobicContact CG2-CD1 4.45Å; V142-I146 VanDerWaalsContact O-CG1 3.25Å; V142-I146 WeakPolarHBondContact O-CG1 3.21Å; V142-I146 PolarHBondContact O-N 3.16Å; K143-I146 HydrophobicContact CD-CB 4.4Å; K143-I146 HydrophobicContact CD-CG2 4.47Å; K143-I146 WeakPolarHBondContact O-CA 3.3Å; K143-I146 WeakPolarHBondContact O-CB 3.22Å; K143-I146 PolarHBondContact O-N 2.9Å; K143-I146 VanDerWaalsContact O-N 3.07Å; I146-Y149 CarbonylContact O-C 3.45Å; I146-Y149 WeakPolarHBondContact O-CB 3.37Å; I146-Y149 PolarHBondContact O-N 2.77Å; I146-E150 HydrophobicContact CG2-CG 4.34Å; I146-E150 WeakPolarHBondContact O-CG 3.38Å; I146-E150 PolarHBondContact O-N 2.86Å; I146-V208 HydrophobicContact CG1-CG2 3.86Å
147D98Very high97.8Very high55 Ų5538.7 Ų38.729%0.29420%0.201SC..Hα-helixtrans-63.8-44179.8-62.2-22.7000111.1K143 Q144 L145 Y149 E150 E151K143-D147 WeakPolarHBondContact CE-OD1 3.3Å; K143-D147 IonicContact NZ-OD1 2.74Å; K143-D147 PolarHBondContact NZ-OD1 2.84Å; K143-D147 VanDerWaalsContact O-CG 3.24Å; K143-D147 PolarHBondContact O-N 2.79Å; Q144-D147 PolarHBondContact O-N 2.98Å; L145-D147 VanDerWaalsContact C-N 3.28Å; L145-D147 PolarHBondContact O-N 2.88Å; D147-Y149 VanDerWaalsContact C-N 3.32Å; D147-Y149 PolarHBondContact O-N 2.65Å; D147-E150 WeakPolarHBondContact O-CB 3.44Å; D147-E150 PolarHBondContact O-N 3.28Å; D147-E150 VanDerWaalsContact O-N 3.09Å; D147-E151 WeakPolarHBondContact O-CG 3.42Å; D147-E151 PolarHBondContact O-N 3.32Å
148V97.9Very high97.9Very high6 Ų637.1 Ų37.14%0.03619%0.19CC..Hα-helixtrans-62.9-38.7173.3178.60000111.7Q144 L145 E150 E151 T152 V156 Q182 Y246Q144-V148 WeakPolarHBondContact O-CG2 3.47Å; Q144-V148 PolarHBondContact O-N 2.92Å; L145-V148 PolarHBondContact O-N 3.06Å; V148-E150 VanDerWaalsContact C-N 3.32Å; V148-E151 PolarHBondContact O-N 3.08Å; V148-T152 HydrophobicContact CG1-CG2 4.2Å; V148-T152 WeakPolarHBondContact O-CB 3.45Å; V148-T152 WeakPolarHBondContact O-CG2 3.47Å; V148-T152 PolarHBondContact O-N 3.07Å; V148-T152 PolarHBondContact O-OG1 3.05Å; V148-V156 HydrophobicContact CB-CG1 4.04Å; V148-V156 HydrophobicContact CB-CG2 3.97Å; V148-V156 HydrophobicContact CG1-CB 4.46Å; V148-V156 HydrophobicContact CG1-CG1 3.87Å; V148-V156 HydrophobicContact CG1-CG2 3.69Å; V148-Q182 HydrophobicContact CG1-CG 4.17Å; V148-Y246 HydrophobicContact CG2-CD2 3.43Å; V148-Y246 VanDerWaalsContact CG2-CD2 3.43Å; V148-Y246 HydrophobicContact CG2-CE2 3.78Å; V148-Y246 HydrophobicContact CG2-CG 3.88Å
149Y98.1Very high98Very high13 Ų1328.4 Ų28.45%0.05115%0.15CC..Hα-helixtrans-63.7-39.9173.6163.3-93.6000111M1 K2 I4 P125 L145 I146 D147 E151 T152 G153 H154 V208 T210M1-Y149 HydrophobicContact CE-CE1 4.42Å; M1-Y149 WeakPolarHBondContact CE-O 3.07Å; K2-Y149 WeakPolarHBondContact O-CE1 3.35Å; K2-Y149 PolarHBondContact O-OH 2.9Å; I4-Y149 HydrophobicContact CD1-CD1 3.33Å; I4-Y149 HydrophobicContact CD1-CE1 3.8Å; I4-Y149 HydrophobicContact CD1-CG 3.79Å; I4-Y149 HydrophobicContact CG1-CD1 3.98Å; I4-Y149 HydrophobicContact CG1-CE1 3.94Å; P125-Y149 HydrophobicContact CB-CE1 4.16Å; P125-Y149 HydrophobicContact CB-CE2 4.05Å; P125-Y149 WeakPolarHBondContact CB-OH 3.44Å; P125-Y149 HydrophobicContact CG-CE1 4.13Å; P125-Y149 VanDerWaalsContact CG-OH 3.31Å; P125-Y149 WeakPolarHBondContact CG-OH 3.48Å; L145-Y149 PolarHBondContact O-N 3.11Å; I146-Y149 CarbonylContact O-C 3.45Å; I146-Y149 WeakPolarHBondContact O-CB 3.37Å; I146-Y149 PolarHBondContact O-N 2.77Å; D147-Y149 VanDerWaalsContact C-N 3.32Å; D147-Y149 PolarHBondContact O-N 2.65Å; Y149-E151 VanDerWaalsContact C-N 3.25Å; Y149-E151 PolarHBondContact O-N 2.9Å; Y149-T152 PolarHBondContact O-N 3.08Å; Y149-G153 WeakPolarHBondContact O-CA 3.33Å; Y149-G153 PolarHBondContact O-N 2.97Å; Y149-H154 WeakPolarHBondContact CD2-O 3.43Å; Y149-V208 HydrophobicContact CD1-CG1 4.45Å; Y149-V208 HydrophobicContact CD2-CG1 4.01Å; Y149-V208 HydrophobicContact CG-CG1 3.73Å; Y149-T210 HydrophobicContact CD2-CG2 4.49Å; Y149-T210 HydrophobicContact CE2-CG2 3.99Å
150E96.9Very high97.9Very high90 Ų9026.9 Ų26.942%0.42114%0.138SC..Hα-helixtrans-65.2-28.8178.6-76.2-178.3175.200112.8M1 I146 D147 V148M1-E150 VanDerWaalsContact CE-C 3.45Å; M1-E150 WeakPolarHBondContact CE-O 3.46Å; I146-E150 HydrophobicContact CG2-CG 4.34Å; I146-E150 WeakPolarHBondContact O-CG 3.38Å; I146-E150 PolarHBondContact O-N 2.86Å; D147-E150 WeakPolarHBondContact O-CB 3.44Å; D147-E150 PolarHBondContact O-N 3.28Å; D147-E150 VanDerWaalsContact O-N 3.09Å; V148-E150 VanDerWaalsContact C-N 3.32Å
151E95.9Very high97.8Very high152 Ų15231.9 Ų31.971%0.7116%0.16SC*.Hα-helixtrans-81.2-41.6174.8-68.8178.1-178.500113.2D147 V148 Y149D147-E151 WeakPolarHBondContact O-CG 3.42Å; D147-E151 PolarHBondContact O-N 3.32Å; V148-E151 PolarHBondContact O-N 3.08Å; Y149-E151 VanDerWaalsContact C-N 3.25Å; Y149-E151 PolarHBondContact O-N 2.9Å
152T96Very high97.7Very high34 Ų3432.6 Ų32.621%0.20916%0.164CC..Hα-helixtrans-98.1-32.6-169.861.50000113.8V148 Y149 H154 Y244V148-T152 HydrophobicContact CG1-CG2 4.2Å; V148-T152 WeakPolarHBondContact O-CB 3.45Å; V148-T152 WeakPolarHBondContact O-CG2 3.47Å; V148-T152 PolarHBondContact O-N 3.07Å; V148-T152 PolarHBondContact O-OG1 3.05Å; Y149-T152 PolarHBondContact O-N 3.08Å; T152-H154 PolarHBondContact O-CD2 2.92Å; T152-H154 PolarHBondContact O-N 3.22Å; T152-H154 PolarHBondContact OG1-N 2.82Å; T152-Y244 HydrophobicContact CG2-CD2 4.23Å; T152-Y244 HydrophobicContact CG2-CE1 4.5Å; T152-Y244 HydrophobicContact CG2-CE2 4.06Å
153G96.3Very high97.5Very high28 Ų2836.6 Ų36.629%0.28919%0.19SC..  trans766.9-169.700000114.9M1 Y149M1-G153 VanDerWaalsContact CE-CA 3.42Å; Y149-G153 WeakPolarHBondContact O-CA 3.33Å; Y149-G153 PolarHBondContact O-N 2.97Å
154H97.8Very high97.3Very high63 Ų6341.7 Ų41.729%0.29222%0.215SC..SBendtrans-109.9156.9-175.5-72.5-82.9000111.8Y149 T152 V156 Q242 Y244Y149-H154 WeakPolarHBondContact CD2-O 3.43Å; T152-H154 PolarHBondContact O-CD2 2.92Å; T152-H154 PolarHBondContact O-N 3.22Å; T152-H154 PolarHBondContact OG1-N 2.82Å; H154-V156 WeakPolarHBondContact O-CG2 3.46Å; H154-Q242 WeakPolarHBondContact CB-O 3.21Å; H154-Q242 PolarHBondContact ND1-O 3.28Å; H154-Y244 HydrophobicContact CB-CD2 3.63Å; H154-Y244 HydrophobicContact CB-CE2 3.8Å; H154-Y244 AromaticContact CD2-CE2 3.84Å; H154-Y244 AromaticContact CG-CE2 3.9Å
155S98.5Very high97.1Very high2 Ų244.2 Ų44.21%0.01424%0.238CC..  trans-58.4141.9172.1-67.30000110.4V208 T210 M237 V243 Y244S155-V208 CarbonylContact C-O 3.54Å; S155-V208 VanDerWaalsContact CA-O 3.23Å; S155-V208 WeakPolarHBondContact CA-O 3.46Å; S155-V208 WeakPolarHBondContact CB-O 3.39Å; S155-T210 PolarHBondContact OG-N 2.84Å; S155-T210 PolarHBondContact OG-OG1 3.49Å; S155-M237 VanDerWaalsContact OG-CE 3.26Å; S155-M237 WeakPolarHBondContact OG-CE 3.27Å; S155-V243 WeakPolarHBondContact O-CG1 3.37Å; S155-Y244 PolarHBondContact O-N 3Å
156V98.7Very high96.9Very high0 Ų046.6 Ų46.60%025%0.25CS..EExtended strand (participates in β ladder)trans-129.4128-176.9-167.70000109.9L145 V148 H154 V208 Y244L145-V156 HydrophobicContact CB-CB 4.41Å; L145-V156 HydrophobicContact CB-CG1 4.34Å; L145-V156 HydrophobicContact CG-CB 4.42Å; L145-V156 HydrophobicContact CG-CG1 4.02Å; V148-V156 HydrophobicContact CB-CG1 4.04Å; V148-V156 HydrophobicContact CB-CG2 3.97Å; V148-V156 HydrophobicContact CG1-CB 4.46Å; V148-V156 HydrophobicContact CG1-CG1 3.87Å; V148-V156 HydrophobicContact CG1-CG2 3.69Å; H154-V156 WeakPolarHBondContact O-CG2 3.46Å; V156-V208 HydrophobicContact CB-CB 4.41Å; V156-V208 PolarHBondContact N-O 2.79Å; V156-V208 PolarHBondContact O-N 2.94Å; V156-Y244 CarbonylContact C-O 3.5Å; V156-Y244 WeakPolarHBondContact CA-O 3.1Å
157I98.7Very high96.7Very high0 Ų046.6 Ų46.60%025%0.251CS..EExtended strand (participates in β ladder)trans-109.8128.2-179.5-48-42.6000109.9F188 I203 Y207 L209 I234 V243 Y244 A245 Y246I157-F188 HydrophobicContact CB-CE1 4.13Å; I157-F188 HydrophobicContact CG1-CE1 3.74Å; I157-F188 HydrophobicContact CG1-CZ 4.05Å; I157-I203 HydrophobicContact CG2-CB 4.29Å; I157-I203 HydrophobicContact CG2-CD1 4.35Å; I157-I203 HydrophobicContact CG2-CG1 3.98Å; I157-I203 HydrophobicContact CG2-CG2 3.57Å; I157-Y207 HydrophobicContact CD1-CD1 3.8Å; I157-Y207 HydrophobicContact CG2-CD1 3.94Å; I157-Y207 HydrophobicContact CG2-CE1 4.01Å; I157-L209 HydrophobicContact CD1-CD2 3.82Å; I157-I234 HydrophobicContact CD1-CD1 3.9Å; I157-I234 HydrophobicContact CD1-CG2 4.44Å; I157-I234 HydrophobicContact CG1-CD1 4.37Å; I157-I234 HydrophobicContact CG1-CG2 4.25Å; I157-V243 HydrophobicContact CD1-CG1 4.15Å; I157-V243 HydrophobicContact CG1-CG1 3.81Å; I157-Y244 PolarHBondContact N-O 2.95Å; I157-A245 CarbonylContact O-C 3.54Å; I157-A245 WeakPolarHBondContact O-CA 3.07Å; I157-Y246 PolarHBondContact O-N 2.86Å
158G98.5Very high96.6Very high0 Ų047.5 Ų47.50%025%0.253CS..EExtended strand (participates in β ladder)trans-72.3131.5175.900000110.1I203 M204 R206 Y246G158-I203 WeakPolarHBondContact O-CA 3.43Å; G158-M204 PolarHBondContact O-N 2.91Å; G158-R206 PolarHBondContact N-O 3.06Å; G158-Y246 WeakPolarHBondContact CA-O 3.42Å
159V98.3Very high96.3Very high0 Ų051.7 Ų51.70%027%0.268CS..EExtended strand (participates in β ladder)trans-130.2158.6177.3-64.70000110.8I173 Y183 L201 A202 A245 Y246 D247V159-I173 HydrophobicContact CG1-CD1 4.22Å; V159-I173 HydrophobicContact CG1-CG1 4.38Å; V159-I173 HydrophobicContact CG1-CG2 4.04Å; V159-I173 HydrophobicContact CG2-CD1 4.45Å; V159-Y183 HydrophobicContact CG2-CD2 4.49Å; V159-Y183 HydrophobicContact CG2-CE2 4.47Å; V159-L201 HydrophobicContact CG2-CD2 4.43Å; V159-A202 CarbonylContact C-O 3.46Å; V159-A202 WeakPolarHBondContact CA-O 3.48Å; V159-A202 WeakPolarHBondContact CB-O 3.49Å; V159-A245 HydrophobicContact CG1-CB 3.89Å; V159-A245 HydrophobicContact CG2-CB 4.04Å; V159-Y246 PolarHBondContact N-O 2.77Å; V159-D247 HydrophobicContact CG2-CB 4.31Å; V159-D247 WeakPolarHBondContact O-CA 3.47Å
160Q97.4Very high96.1Very high34 Ų3452.8 Ų52.816%0.15927%0.273CS..EExtended strand (participates in β ladder)trans-144.2156.9163.5-65-174.3-48.300108.8A202 M204 F248 G250Q160-A202 PolarHBondContact N-O 3.41Å; Q160-A202 PolarHBondContact O-N 3.03Å; Q160-M204 HydrophobicContact CB-CE 3.91Å; Q160-M204 HydrophobicContact CB-CG 3.69Å; Q160-M204 HydrophobicContact CG-CB 4.5Å; Q160-M204 HydrophobicContact CG-CG 3.83Å; Q160-F248 HydrophobicContact CG-CE1 4.43Å; Q160-F248 HydrophobicContact CG-CE2 4.06Å; Q160-F248 HydrophobicContact CG-CZ 4.02Å; Q160-G250 PolarHBondContact NE2-O 3.36Å; Q160-G250 VanDerWaalsContact NE2-O 3.13Å
161E96.5Very high96.1Very high119 Ų11948.8 Ų48.856%0.55626%0.255SS*.EExtended strand (participates in β ladder)trans-68.5137.6172-68.2-174.3-168.500111.2N200 L201E161-N200 WeakPolarHBondContact CA-O 3.44Å; E161-L201 HydrophobicContact CG-CD2 3.66Å
162V95.1Very high96.2Very high15 Ų1541.5 Ų41.59%0.09122%0.221CC..  trans-122.6158.5172-66.30000111E164 T167 Y170 N200 A202 M204V162-E164 PolarHBondContact O-N 3.28Å; V162-T167 HydrophobicContact CG2-CG2 4.04Å; V162-Y170 HydrophobicContact CG1-CE2 4.28Å; V162-Y170 HydrophobicContact CG2-CD2 4.48Å; V162-N200 WeakPolarHBondContact CG2-O 3.25Å; V162-N200 PolarHBondContact N-O 2.69Å; V162-N200 WeakPolarHBondContact O-CB 3.31Å; V162-A202 HydrophobicContact CB-CB 4.44Å; V162-A202 HydrophobicContact CG1-CB 3.82Å; V162-A202 HydrophobicContact CG2-CB 3.73Å; V162-M204 HydrophobicContact CG1-CE 3.25Å
163P95.1Very high96.3Very high85 Ų8539.9 Ų39.955%0.55221%0.211SC*.  trans-55.1140.3168.4-24.534.9000111.3A165 D166P163-A165 PolarHBondContact O-N 2.88Å; P163-A165 VanDerWaalsContact O-N 3.07Å; P163-D166 PolarHBondContact O-N 3.31Å
164E93.9Very high96.4Very high163 Ų16340.1 Ų40.176%0.76221%0.206SC*.G310 helixtrans-53.1-35.9-179-69.5-175.117400112.9V162 D166 T167V162-E164 PolarHBondContact O-N 3.28Å; E164-D166 PolarHBondContact O-N 3.19Å; E164-T167 WeakPolarHBondContact O-CB 3.31Å; E164-T167 WeakPolarHBondContact O-CG2 3.5Å; E164-T167 PolarHBondContact O-N 3.47Å; E164-T167 PolarHBondContact O-OG1 3.41Å
165A94.8Very high96.4Very high64 Ų6439.2 Ų39.253%0.52921%0.206SC..G310 helixtrans-61.6-26.5178.300000113.6P163 H168P163-A165 PolarHBondContact O-N 2.88Å; P163-A165 VanDerWaalsContact O-N 3.07Å; A165-H168 PolarHBondContact O-CE1 2.82Å; A165-H168 PolarHBondContact O-ND1 2.92Å
166D93.6Very high96.3Very high50 Ų5043.7 Ų43.727%0.26723%0.229SC..G310 helixtrans-93.9-9.2-177.5-80-49.1000113.3P163 E164 H168 R169 Y170P163-D166 PolarHBondContact O-N 3.31Å; E164-D166 PolarHBondContact O-N 3.19Å; D166-H168 PolarHBondContact O-N 2.88Å; D166-H168 VanDerWaalsContact O-N 3.12Å; D166-R169 WeakPolarHBondContact O-CB 3.46Å; D166-R169 PolarHBondContact O-N 3.06Å; D166-R169 WeakPolarHBondContact OD1-CD 3.46Å; D166-R169 IonicContact OD1-CZ 3.04Å; D166-R169 IonicContact OD1-NH1 3.35Å; D166-R169 PolarHBondContact OD1-NH1 3.28Å; D166-Y170 HydrophobicContact CB-CE2 4.15Å; D166-Y170 VanDerWaalsContact O-CD2 3.3Å; D166-Y170 WeakPolarHBondContact O-CD2 3.48Å
167T95.6Very high96.2Very high5 Ų546.9 Ų46.93%0.03125%0.248CC..G310 helixtrans-55.8-34.3-174.353.60000114.4V162 E164 R169 Y170 I172 A197V162-T167 HydrophobicContact CG2-CG2 4.04Å; E164-T167 WeakPolarHBondContact O-CB 3.31Å; E164-T167 WeakPolarHBondContact O-CG2 3.5Å; E164-T167 PolarHBondContact O-N 3.47Å; E164-T167 PolarHBondContact O-OG1 3.41Å; T167-R169 PolarHBondContact O-N 3.09Å; T167-R169 VanDerWaalsContact O-N 3.1Å; T167-Y170 PolarHBondContact O-N 3.2Å; T167-I172 HydrophobicContact CG2-CD1 4.2Å; T167-I172 WeakPolarHBondContact O-CG1 3.44Å; T167-A197 HydrophobicContact CG2-CB 4.06Å
168H94Very high96.1Very high74 Ų7452.9 Ų52.934%0.34327%0.274SS..G310 helixtrans-66.1-11.1179.771.8-79.3000114.5A165 D166 K191 P192 Q194A165-H168 PolarHBondContact O-CE1 2.82Å; A165-H168 PolarHBondContact O-ND1 2.92Å; D166-H168 PolarHBondContact O-N 2.88Å; D166-H168 VanDerWaalsContact O-N 3.12Å; H168-K191 WeakPolarHBondContact O-CB 3.33Å; H168-P192 VanDerWaalsContact CA-O 3.23Å; H168-P192 WeakPolarHBondContact CA-O 3.25Å; H168-P192 WeakPolarHBondContact CB-O 3.38Å; H168-Q194 HydrophobicContact CB-CB 4.44Å
169R91.9Very high96Very high94 Ų9458.9 Ų58.936%0.35531%0.306SS..G310 helixtrans-89.2-17.7-177.9-59.8170.961.1-166.6-4.4113.1D166 T167 E257D166-R169 WeakPolarHBondContact O-CB 3.46Å; D166-R169 PolarHBondContact O-N 3.06Å; D166-R169 WeakPolarHBondContact OD1-CD 3.46Å; D166-R169 IonicContact OD1-CZ 3.04Å; D166-R169 IonicContact OD1-NH1 3.35Å; D166-R169 PolarHBondContact OD1-NH1 3.28Å; T167-R169 PolarHBondContact O-N 3.09Å; T167-R169 VanDerWaalsContact O-N 3.1Å; R169-E257 IonicContact NH2-OE1 2.64Å
170Y94.4Very high95.8Very high37 Ų3761.6 Ų61.615%0.14533%0.334CS..SBendtrans-123.4167.5-168.9-54.1-78.1000111.9V162 D166 T167 K191 P192 A202V162-Y170 HydrophobicContact CG1-CE2 4.28Å; V162-Y170 HydrophobicContact CG2-CD2 4.48Å; D166-Y170 HydrophobicContact CB-CE2 4.15Å; D166-Y170 VanDerWaalsContact O-CD2 3.3Å; D166-Y170 WeakPolarHBondContact O-CD2 3.48Å; T167-Y170 PolarHBondContact O-N 3.2Å; Y170-K191 VanDerWaalsContact O-CA 3.27Å; Y170-K191 WeakPolarHBondContact O-CA 3.33Å; Y170-K191 PolarHBondContact O-N 3.25Å; Y170-P192 WeakPolarHBondContact O-CD 3.49Å; Y170-A202 HydrophobicContact CD2-CB 4.15Å; Y170-A202 HydrophobicContact CG-CB 4.03Å
171G96.5Very high95.9Very high5 Ų564.2 Ų64.25%0.05234%0.342CS..EExtended strand (participates in β ladder)trans-71.2132.7158.100000109.6V189 A202 I203G171-V189 CarbonylContact C-O 3.55Å; G171-V189 WeakPolarHBondContact CA-O 3.42Å; G171-A202 CarbonylContact O-C 3.51Å; G171-A202 WeakPolarHBondContact O-CA 3.47Å; G171-I203 WeakPolarHBondContact O-CG1 3.33Å; G171-I203 PolarHBondContact O-N 3.01Å
172I98.3Very high95.9Very high0 Ų059.9 Ų59.90%032%0.322CS..EExtended strand (participates in β ladder)trans-118.5142.1-178.2-57-57.6000109.6T167 V189 P192 A197 P198 S199 L201 A202T167-I172 HydrophobicContact CG2-CD1 4.2Å; T167-I172 WeakPolarHBondContact O-CG1 3.44Å; I172-V189 PolarHBondContact N-O 3.18Å; I172-V189 PolarHBondContact O-N 3.14Å; I172-P192 HydrophobicContact CB-CG 4.25Å; I172-P192 HydrophobicContact CG1-CG 3.69Å; I172-A197 HydrophobicContact CG1-CB 4.37Å; I172-A197 HydrophobicContact CG2-CB 4.33Å; I172-P198 HydrophobicContact CG2-CG 4.04Å; I172-S199 VanDerWaalsContact CG2-O 3.26Å; I172-S199 WeakPolarHBondContact CG2-O 3.5Å; I172-L201 WeakPolarHBondContact CA-O 3.48Å; I172-A202 HydrophobicContact CD1-CB 3.61Å
173I98.1Very high96.1Very high0 Ų059.6 Ų59.60%032%0.32CS..EExtended strand (participates in β ladder)trans-96.8146.8174.869.3158.8000112.4V159 Y183 V185 K187 F188 S199 L201 I203 A245V159-I173 HydrophobicContact CG1-CD1 4.22Å; V159-I173 HydrophobicContact CG1-CG1 4.38Å; V159-I173 HydrophobicContact CG1-CG2 4.04Å; V159-I173 HydrophobicContact CG2-CD1 4.45Å; I173-Y183 HydrophobicContact CD1-CG 4.48Å; I173-V185 HydrophobicContact CB-CG1 3.91Å; I173-V185 HydrophobicContact CB-CG2 4.38Å; I173-V185 HydrophobicContact CD1-CG2 4.02Å; I173-V185 HydrophobicContact CG2-CG1 4.23Å; I173-V185 HydrophobicContact CG2-CG2 4.43Å; I173-K187 CarbonylContact C-O 3.53Å; I173-K187 WeakPolarHBondContact CA-O 3.39Å; I173-F188 HydrophobicContact CG2-CD1 3.56Å; I173-F188 HydrophobicContact CG2-CE1 3.57Å; I173-F188 HydrophobicContact CG2-CG 4.48Å; I173-F188 HydrophobicContact CG2-CZ 4.49Å; I173-S199 WeakPolarHBondContact O-CB 3.48Å; I173-S199 PolarHBondContact O-OG 3.45Å; I173-L201 HydrophobicContact CD1-CB 4Å; I173-L201 HydrophobicContact CD1-CD1 3.89Å; I173-L201 HydrophobicContact CG1-CB 3.49Å; I173-L201 VanDerWaalsContact CG1-CB 3.49Å; I173-L201 HydrophobicContact CG1-CD1 4.11Å; I173-L201 HydrophobicContact CG1-CG 4.45Å; I173-L201 PolarHBondContact N-O 3.24Å; I173-I203 HydrophobicContact CG2-CG1 4.25Å; I173-A245 HydrophobicContact CD1-CB 3.57Å
174D98.1Very high96.2Very high33 Ų3358.3 Ų58.318%0.17631%0.306CS..EExtended strand (participates in β ladder)trans-98.7102.8162.3-174.17.3000107.1K186 K187 P198D174-K186 HydrophobicContact CB-CB 4.34Å; D174-K186 WeakPolarHBondContact O-CA 3.43Å; D174-K186 VanDerWaalsContact O-CB 3.3Å; D174-K186 WeakPolarHBondContact O-CB 3.39Å; D174-K186 PolarHBondContact O-N 3.36Å; D174-K186 WeakPolarHBondContact OD2-CD 3.37Å; D174-K186 IonicContact OD2-NZ 3.25Å; D174-K186 PolarHBondContact OD2-NZ 3.12Å; D174-K187 HydrophobicContact CB-CB 3.85Å; D174-K187 PolarHBondContact N-O 3.27Å; D174-K187 PolarHBondContact O-N 3.29Å; D174-P198 HydrophobicContact CB-CB 3.69Å; D174-P198 HydrophobicContact CB-CG 3.93Å
175P97.5Very high96.4Very high44 Ų4450.6 Ų50.629%0.28627%0.27SS..EExtended strand (participates in β ladder)trans-71.8135.6-178.229.2-33.8000111.4Y183 L201P175-Y183 HydrophobicContact CB-CD1 3.78Å; P175-Y183 HydrophobicContact CB-CE1 4.49Å; P175-Y183 HydrophobicContact CB-CG 4.48Å; P175-L201 HydrophobicContact CB-CD1 4.48Å; P175-L201 HydrophobicContact CG-CD1 4.21Å
176L96.4Very high96.6Very high96 Ų9653.2 Ų53.250%0.50327%0.27SS..EExtended strand (participates in β ladder)trans-88.6-52.5174.1-174.863000111.5E184 K186L176-E184 HydrophobicContact CB-CB 4.14Å; L176-E184 WeakPolarHBondContact CB-O 3.3Å; L176-E184 PolarHBondContact N-O 3.07Å; L176-K186 HydrophobicContact CB-CB 4.02Å; L176-K186 HydrophobicContact CD1-CB 4.37Å; L176-K186 HydrophobicContact CD1-CD 4.34Å
177T96.7Very high96.8Very high66 Ų6655.6 Ų55.641%0.40528%0.278SS..EExtended strand (participates in β ladder)trans-136.8159.9177.167.10000109.5Y183 E184T177-Y183 VanDerWaalsContact O-CA 3.26Å; T177-Y183 WeakPolarHBondContact O-CA 3.23Å; T177-E184 WeakPolarHBondContact CG2-OE2 3.47Å; T177-E184 PolarHBondContact O-N 2.94Å; T177-E184 WeakPolarHBondContact OG1-CB 3.41Å; T177-E184 VanDerWaalsContact OG1-CD 3.23Å; T177-E184 WeakPolarHBondContact OG1-CG 3.43Å; T177-E184 PolarHBondContact OG1-OE2 3.39Å
178K97Very high96.9Very high127 Ų12755.6 Ų55.655%0.55228%0.277SS*.EExtended strand (participates in β ladder)trans-129.9125.9176-177.9180-175.2157.40109.3G180 Q182 Y183K178-G180 WeakPolarHBondContact CE-O 3.34Å; K178-G180 WeakPolarHBondContact CG-O 3.24Å; K178-Q182 WeakPolarHBondContact CA-O 3.39Å; K178-Y183 HydrophobicContact CB-CD1 3.87Å; K178-Y183 HydrophobicContact CB-CE1 3.89Å; K178-Y183 HydrophobicContact CD-CD1 4.35Å; K178-Y183 HydrophobicContact CD-CE1 3.51Å; K178-Y183 VanDerWaalsContact CE-OH 3.26Å; K178-Y183 WeakPolarHBondContact CE-OH 3.36Å; K178-Y183 HydrophobicContact CG-CD1 3.91Å; K178-Y183 HydrophobicContact CG-CE1 3.55Å; K178-Y183 PolarHBondContact NZ-OH 3.28Å
179N96.1Very high97.1Very high126 Ų12653.6 Ų53.667%0.67427%0.27SS*.EExtended strand (participates in β ladder)trans-124.2104.6169.2-176.717.1000109.1R181 Q182N179-R181 PolarHBondContact O-N 2.86Å; N179-R181 VanDerWaalsContact O-N 3.15Å; N179-Q182 PolarHBondContact N-O 3.35Å; N179-Q182 WeakPolarHBondContact O-CB 3.45Å; N179-Q182 PolarHBondContact O-N 2.97Å
180G96Very high97.3Very high56 Ų5650.5 Ų50.558%0.57726%0.26SS*.THydrogen-bonded Turntrans59.5-117.8-171.500000111.4K178K178-G180 WeakPolarHBondContact CE-O 3.34Å; K178-G180 WeakPolarHBondContact CG-O 3.24Å
181R97.6Very high97.3Very high89 Ų8952.9 Ų52.934%0.33627%0.271SS..THydrogen-bonded Turntrans-95.6-3.5176.5-70.6172173.3-89.12.4113.6N179 Y183 Y246 D247 E249N179-R181 PolarHBondContact O-N 2.86Å; N179-R181 VanDerWaalsContact O-N 3.15Å; R181-Y183 WeakPolarHBondContact O-CD2 3.26Å; R181-Y183 WeakPolarHBondContact O-CE2 2.91Å; R181-Y246 HydrophobicContact CB-CD2 4.16Å; R181-Y246 HydrophobicContact CB-CE1 4.48Å; R181-Y246 HydrophobicContact CB-CE2 3.61Å; R181-Y246 WeakPolarHBondContact O-CA 3.27Å; R181-D247 HydrophobicContact CB-CB 4.37Å; R181-D247 WeakPolarHBondContact CD-O 3.49Å; R181-D247 PolarHBondContact NH1-O 3.35Å; R181-D247 IonicContact NH1-OD2 2.65Å; R181-D247 PolarHBondContact O-N 3.3Å; R181-E249 IonicContact CZ-OE1 3.52Å; R181-E249 VanDerWaalsContact CZ-OE1 3.31Å; R181-E249 IonicContact NE-OE1 2.77Å; R181-E249 VanDerWaalsContact NH1-CG 3.35Å; R181-E249 VanDerWaalsContact NH2-CG 3.3Å; R181-E249 IonicContact NH2-OE1 3.97Å; R181-E249 PolarHBondContact NH2-OE1 2.67Å
182Q98.1Very high97.2Very high29 Ų2953 Ų5314%0.13627%0.27CS..EExtended strand (participates in β ladder)trans-93.3141.9179-178.7-178-35.400110.9V148 K178 N179 Y244 A245 Y246V148-Q182 HydrophobicContact CG1-CG 4.17Å; K178-Q182 WeakPolarHBondContact CA-O 3.39Å; N179-Q182 PolarHBondContact N-O 3.35Å; N179-Q182 WeakPolarHBondContact O-CB 3.45Å; N179-Q182 PolarHBondContact O-N 2.97Å; Q182-Y244 HydrophobicContact CG-CD1 3.8Å; Q182-A245 CarbonylContact C-O 3.59Å; Q182-A245 WeakPolarHBondContact CA-O 3.34Å; Q182-Y246 HydrophobicContact CB-CD2 4.06Å
183Y98.3Very high97Very high9 Ų956.1 Ų56.14%0.03530%0.296CS..EExtended strand (participates in β ladder)trans-126.8133.4177.1-55.3-95.7000110.4V159 I173 P175 T177 K178 R181 L201 Y244 A245 D247V159-Y183 HydrophobicContact CG2-CD2 4.49Å; V159-Y183 HydrophobicContact CG2-CE2 4.47Å; I173-Y183 HydrophobicContact CD1-CG 4.48Å; P175-Y183 HydrophobicContact CB-CD1 3.78Å; P175-Y183 HydrophobicContact CB-CE1 4.49Å; P175-Y183 HydrophobicContact CB-CG 4.48Å; T177-Y183 VanDerWaalsContact O-CA 3.26Å; T177-Y183 WeakPolarHBondContact O-CA 3.23Å; K178-Y183 HydrophobicContact CB-CD1 3.87Å; K178-Y183 HydrophobicContact CB-CE1 3.89Å; K178-Y183 HydrophobicContact CD-CD1 4.35Å; K178-Y183 HydrophobicContact CD-CE1 3.51Å; K178-Y183 VanDerWaalsContact CE-OH 3.26Å; K178-Y183 WeakPolarHBondContact CE-OH 3.36Å; K178-Y183 HydrophobicContact CG-CD1 3.91Å; K178-Y183 HydrophobicContact CG-CE1 3.55Å; K178-Y183 PolarHBondContact NZ-OH 3.28Å; R181-Y183 WeakPolarHBondContact O-CD2 3.26Å; R181-Y183 WeakPolarHBondContact O-CE2 2.91Å; Y183-L201 HydrophobicContact CD1-CD1 4.26Å; Y183-L201 HydrophobicContact CE1-CD1 3.81Å; Y183-L201 HydrophobicContact CE2-CD1 4.37Å; Y183-Y244 CarbonylContact O-C 3.59Å; Y183-Y244 VanDerWaalsContact O-CA 3.31Å; Y183-Y244 WeakPolarHBondContact O-CA 3.3Å; Y183-Y244 WeakPolarHBondContact O-CD1 3.23Å; Y183-A245 PolarHBondContact N-O 3.22Å; Y183-A245 PolarHBondContact O-N 3.45Å; Y183-D247 HydrophobicContact CE2-CB 3.84Å
184E97.8Very high96.7Very high58 Ų5863 Ų6327%0.27133%0.329SS..EExtended strand (participates in β ladder)trans-73.7133154.1-69.7172.9169.300107.4L176 T177 Y244L176-E184 HydrophobicContact CB-CB 4.14Å; L176-E184 WeakPolarHBondContact CB-O 3.3Å; L176-E184 PolarHBondContact N-O 3.07Å; T177-E184 WeakPolarHBondContact CG2-OE2 3.47Å; T177-E184 PolarHBondContact O-N 2.94Å; T177-E184 WeakPolarHBondContact OG1-CB 3.41Å; T177-E184 VanDerWaalsContact OG1-CD 3.23Å; T177-E184 WeakPolarHBondContact OG1-CG 3.43Å; T177-E184 PolarHBondContact OG1-OE2 3.39Å; E184-Y244 HydrophobicContact CB-CE1 4.4Å; E184-Y244 HydrophobicContact CG-CD1 3.99Å; E184-Y244 HydrophobicContact CG-CE1 3.32Å; E184-Y244 PolarHBondContact OE1-OH 3.11Å
185V98.2Very high96.5Very high1 Ų165.1 Ų65.11%0.00636%0.358CS..EExtended strand (participates in β ladder)trans-101.5125.5-177-176.60000109.5I173 K187 F188 N238 Q242 V243 A245I173-V185 HydrophobicContact CB-CG1 3.91Å; I173-V185 HydrophobicContact CB-CG2 4.38Å; I173-V185 HydrophobicContact CD1-CG2 4.02Å; I173-V185 HydrophobicContact CG2-CG1 4.23Å; I173-V185 HydrophobicContact CG2-CG2 4.43Å; V185-K187 VanDerWaalsContact CG1-O 3.26Å; V185-K187 WeakPolarHBondContact CG1-O 3.49Å; V185-F188 HydrophobicContact CB-CD2 4.38Å; V185-F188 HydrophobicContact CB-CE1 4.41Å; V185-F188 HydrophobicContact CB-CE2 3.56Å; V185-F188 HydrophobicContact CB-CZ 3.58Å; V185-F188 HydrophobicContact CG1-CD1 4.31Å; V185-F188 HydrophobicContact CG1-CD2 3.65Å; V185-F188 HydrophobicContact CG1-CE1 4.03Å; V185-F188 HydrophobicContact CG1-CE2 3.31Å; V185-F188 HydrophobicContact CG1-CG 4.13Å; V185-F188 HydrophobicContact CG1-CZ 3.53Å; V185-F188 HydrophobicContact CG2-CE1 4.2Å; V185-F188 HydrophobicContact CG2-CE2 4.15Å; V185-F188 HydrophobicContact CG2-CZ 3.62Å; V185-N238 PolarHBondContact O-ND2 3.43Å; V185-N238 PolarHBondContact O-OD1 2.95Å; V185-Q242 PolarHBondContact O-NE2 2.84Å; V185-V243 PolarHBondContact N-O 3.32Å; V185-A245 HydrophobicContact CG2-CB 3.53Å
186K98.1Very high96.4Very high119 Ų11967.3 Ų67.352%0.51737%0.371SS..EExtended strand (participates in β ladder)trans-76.3-40.9172.6-177.5176.6158.3-143.60111.2D174 L176 N238D174-K186 HydrophobicContact CB-CB 4.34Å; D174-K186 WeakPolarHBondContact O-CA 3.43Å; D174-K186 VanDerWaalsContact O-CB 3.3Å; D174-K186 WeakPolarHBondContact O-CB 3.39Å; D174-K186 PolarHBondContact O-N 3.36Å; D174-K186 WeakPolarHBondContact OD2-CD 3.37Å; D174-K186 IonicContact OD2-NZ 3.25Å; D174-K186 PolarHBondContact OD2-NZ 3.12Å; L176-K186 HydrophobicContact CB-CB 4.02Å; L176-K186 HydrophobicContact CD1-CB 4.37Å; L176-K186 HydrophobicContact CD1-CD 4.34Å; K186-N238 PolarHBondContact O-ND2 3.44Å
187K97.8Very high96.3Very high99 Ų9964 Ų6443%0.4336%0.358SS..EExtended strand (participates in β ladder)trans-154.5144.1-176.9-167.5177.5-175.9-177.40112.4I173 D174 V185 V189 E235I173-K187 CarbonylContact C-O 3.53Å; I173-K187 WeakPolarHBondContact CA-O 3.39Å; D174-K187 HydrophobicContact CB-CB 3.85Å; D174-K187 PolarHBondContact N-O 3.27Å; D174-K187 PolarHBondContact O-N 3.29Å; V185-K187 VanDerWaalsContact CG1-O 3.26Å; V185-K187 WeakPolarHBondContact CG1-O 3.49Å; K187-V189 HydrophobicContact CD-CG2 3.93Å; K187-V189 HydrophobicContact CG-CG2 4.06Å; K187-E235 WeakPolarHBondContact CA-OE2 3.28Å
188F98.3Very high96.3Very high5 Ų563.5 Ų63.52%0.02236%0.355CS..EExtended strand (participates in β ladder)trans-106.3135.5165.5-60.9-99.6000109.6I157 I173 V185 I203 T231 I234 E235 N238 V243I157-F188 HydrophobicContact CB-CE1 4.13Å; I157-F188 HydrophobicContact CG1-CE1 3.74Å; I157-F188 HydrophobicContact CG1-CZ 4.05Å; I173-F188 HydrophobicContact CG2-CD1 3.56Å; I173-F188 HydrophobicContact CG2-CE1 3.57Å; I173-F188 HydrophobicContact CG2-CG 4.48Å; I173-F188 HydrophobicContact CG2-CZ 4.49Å; V185-F188 HydrophobicContact CB-CD2 4.38Å; V185-F188 HydrophobicContact CB-CE1 4.41Å; V185-F188 HydrophobicContact CB-CE2 3.56Å; V185-F188 HydrophobicContact CB-CZ 3.58Å; V185-F188 HydrophobicContact CG1-CD1 4.31Å; V185-F188 HydrophobicContact CG1-CD2 3.65Å; V185-F188 HydrophobicContact CG1-CE1 4.03Å; V185-F188 HydrophobicContact CG1-CE2 3.31Å; V185-F188 HydrophobicContact CG1-CG 4.13Å; V185-F188 HydrophobicContact CG1-CZ 3.53Å; V185-F188 HydrophobicContact CG2-CE1 4.2Å; V185-F188 HydrophobicContact CG2-CE2 4.15Å; V185-F188 HydrophobicContact CG2-CZ 3.62Å; F188-I203 HydrophobicContact CD1-CD1 3.94Å; F188-T231 HydrophobicContact CB-CG2 4Å; F188-I234 HydrophobicContact CD1-CG2 4.05Å; F188-I234 HydrophobicContact CD2-CG2 3.89Å; F188-I234 HydrophobicContact CE1-CG2 4.02Å; F188-I234 HydrophobicContact CE2-CG2 3.85Å; F188-I234 HydrophobicContact CG-CG2 4Å; F188-I234 HydrophobicContact CZ-CG2 3.92Å; F188-E235 HydrophobicContact CB-CB 4.12Å; F188-E235 PolarHBondContact N-OE2 2.8Å; F188-N238 HydrophobicContact CD2-CB 4.02Å; F188-N238 HydrophobicContact CE2-CB 3.88Å; F188-V243 HydrophobicContact CE2-CB 3.87Å; F188-V243 HydrophobicContact CE2-CG1 3.99Å; F188-V243 HydrophobicContact CZ-CB 3.96Å; F188-V243 HydrophobicContact CZ-CG1 3.59Å
189V97.4Very high96.3Very high33 Ų3358.7 Ų58.720%0.234%0.338CS..EExtended strand (participates in β ladder)trans-130113.3-179-174.80000109.6G171 I172 K187 K191 P192 P198G171-V189 CarbonylContact C-O 3.55Å; G171-V189 WeakPolarHBondContact CA-O 3.42Å; I172-V189 PolarHBondContact N-O 3.18Å; I172-V189 PolarHBondContact O-N 3.14Å; K187-V189 HydrophobicContact CD-CG2 3.93Å; K187-V189 HydrophobicContact CG-CG2 4.06Å; V189-K191 PolarHBondContact O-N 3Å; V189-P192 HydrophobicContact CG1-CB 3.89Å; V189-P198 HydrophobicContact CG2-CG 4.18Å
190E96.8Very high96.4Very high29 Ų2955.2 Ų55.214%0.13632%0.319CS..EExtended strand (participates in β ladder)trans-76121.8175.9-175.960.4-163.900111.2A224 Q229 T231E190-A224 HydrophobicContact CG-CB 4.04Å; E190-Q229 HydrophobicContact CG-CB 4.2Å; E190-Q229 HydrophobicContact CG-CG 3.93Å; E190-T231 HydrophobicContact CB-CG2 3.95Å; E190-T231 WeakPolarHBondContact OE2-CB 3.35Å; E190-T231 PolarHBondContact OE2-OG1 2.93Å
191K94.2Very high96.5Very high87 Ų8752.9 Ų52.938%0.37829%0.293SS..SBendtrans46.761.3172.9-66.3170.2-174.8159.60112.4H168 Y170 V189 A224H168-K191 WeakPolarHBondContact O-CB 3.33Å; Y170-K191 VanDerWaalsContact O-CA 3.27Å; Y170-K191 WeakPolarHBondContact O-CA 3.33Å; Y170-K191 PolarHBondContact O-N 3.25Å; V189-K191 PolarHBondContact O-N 3Å; K191-A224 HydrophobicContact CB-CB 4.47Å; K191-A224 HydrophobicContact CD-CB 4.21Å
192P94.5Very high96.5Very high6 Ų648.6 Ų48.64%0.03928%0.277CS..PPolyproline II helixtrans-55.9148.5179.324.9-33.4000110.4H168 Y170 I172 V189 Q194 A197H168-P192 VanDerWaalsContact CA-O 3.23Å; H168-P192 WeakPolarHBondContact CA-O 3.25Å; H168-P192 WeakPolarHBondContact CB-O 3.38Å; Y170-P192 WeakPolarHBondContact O-CD 3.49Å; I172-P192 HydrophobicContact CB-CG 4.25Å; I172-P192 HydrophobicContact CG1-CG 3.69Å; V189-P192 HydrophobicContact CG1-CB 3.89Å; P192-Q194 PolarHBondContact O-N 3.4Å; P192-A197 HydrophobicContact CB-CB 4.27Å; P192-A197 HydrophobicContact CG-CB 3.75Å
193A94.3Very high96.5Very high66 Ų6647.8 Ų47.855%0.54527%0.273SS..PPolyproline II helixtrans-57.9145.1172.100000109.6G195 T196A193-G195 PolarHBondContact O-N 3.12Å; A193-T196 HydrophobicContact CB-CG2 4.13Å; A193-T196 PolarHBondContact N-OG1 3.21Å; A193-T196 VanDerWaalsContact N-OG1 3.15Å; A193-T196 WeakPolarHBondContact O-CB 3.47Å; A193-T196 PolarHBondContact O-N 2.98Å; A193-T196 PolarHBondContact O-OG1 3.14Å
194Q92.2Very high96.3Very high146 Ų14647.5 Ų47.568%0.68227%0.272SS*.THydrogen-bonded Turntrans-52.4128-178.7-172.1175.2-2.600111H168 P192 T196H168-Q194 HydrophobicContact CB-CB 4.44Å; P192-Q194 PolarHBondContact O-N 3.4Å; Q194-T196 VanDerWaalsContact C-N 3.34Å
195G92.3Very high96.2Very high77 Ų7744.8 Ų44.879%0.79426%0.26SS*.THydrogen-bonded Turntrans80.64.5-176.900000115.7A193A193-G195 PolarHBondContact O-N 3.12Å
196T95.4Very high96.2Very high90 Ų9044.7 Ų44.755%0.55226%0.26SS*.  trans-113.54.3178.1700000113.9A193 Q194A193-T196 HydrophobicContact CB-CG2 4.13Å; A193-T196 PolarHBondContact N-OG1 3.21Å; A193-T196 VanDerWaalsContact N-OG1 3.15Å; A193-T196 WeakPolarHBondContact O-CB 3.47Å; A193-T196 PolarHBondContact O-N 2.98Å; A193-T196 PolarHBondContact O-OG1 3.14Å; Q194-T196 VanDerWaalsContact C-N 3.34Å
197A95.9Very high96.2Very high27 Ų2739.4 Ų39.422%0.22324%0.237CC..  trans-63.3132.5178.600000110.5T167 I172 P192 S199T167-A197 HydrophobicContact CG2-CB 4.06Å; I172-A197 HydrophobicContact CG1-CB 4.37Å; I172-A197 HydrophobicContact CG2-CB 4.33Å; P192-A197 HydrophobicContact CB-CB 4.27Å; P192-A197 HydrophobicContact CG-CB 3.75Å; A197-S199 VanDerWaalsContact C-N 3.26Å; A197-S199 WeakPolarHBondContact CB-O 3.4Å; A197-S199 PolarHBondContact O-N 3.18Å
198P96.3Very high96.3Very high55 Ų5534.7 Ų34.736%0.35722%0.216SC..SBendtrans-71.6-21.3-178.328.4-35000113.3I172 D174 V189I172-P198 HydrophobicContact CG2-CG 4.04Å; D174-P198 HydrophobicContact CB-CB 3.69Å; D174-P198 HydrophobicContact CB-CG 3.93Å; V189-P198 HydrophobicContact CG2-CG 4.18Å
199S97.7Very high96.3Very high26 Ų2634.5 Ų34.518%0.18222%0.215CC..  trans-153.8-172.3172.379.90000109.8I172 I173 A197 L201I172-S199 VanDerWaalsContact CG2-O 3.26Å; I172-S199 WeakPolarHBondContact CG2-O 3.5Å; I173-S199 WeakPolarHBondContact O-CB 3.48Å; I173-S199 PolarHBondContact O-OG 3.45Å; A197-S199 VanDerWaalsContact C-N 3.26Å; A197-S199 WeakPolarHBondContact CB-O 3.4Å; A197-S199 PolarHBondContact O-N 3.18Å; S199-L201 PolarHBondContact OG-N 2.64Å
200N97.1Very high96.3Very high52 Ų5233.9 Ų33.928%0.27821%0.211SC..SBendtrans-103.910.9169.969.9-33.6000113.4E161 V162 A202E161-N200 WeakPolarHBondContact CA-O 3.44Å; V162-N200 WeakPolarHBondContact CG2-O 3.25Å; V162-N200 PolarHBondContact N-O 2.69Å; V162-N200 WeakPolarHBondContact O-CB 3.31Å; N200-A202 PolarHBondContact O-N 2.9Å
201L98Very high96.3Very high7 Ų733.3 Ų33.34%0.03721%0.21CC..EExtended strand (participates in β ladder)trans-84.9102.8177.5-68.5166.3000109.9V159 E161 I172 I173 P175 Y183 S199V159-L201 HydrophobicContact CG2-CD2 4.43Å; E161-L201 HydrophobicContact CG-CD2 3.66Å; I172-L201 WeakPolarHBondContact CA-O 3.48Å; I173-L201 HydrophobicContact CD1-CB 4Å; I173-L201 HydrophobicContact CD1-CD1 3.89Å; I173-L201 HydrophobicContact CG1-CB 3.49Å; I173-L201 VanDerWaalsContact CG1-CB 3.49Å; I173-L201 HydrophobicContact CG1-CD1 4.11Å; I173-L201 HydrophobicContact CG1-CG 4.45Å; I173-L201 PolarHBondContact N-O 3.24Å; P175-L201 HydrophobicContact CB-CD1 4.48Å; P175-L201 HydrophobicContact CG-CD1 4.21Å; Y183-L201 HydrophobicContact CD1-CD1 4.26Å; Y183-L201 HydrophobicContact CE1-CD1 3.81Å; Y183-L201 HydrophobicContact CE2-CD1 4.37Å; S199-L201 PolarHBondContact OG-N 2.64Å
202A97.7Very high96.5Very high0 Ų032.9 Ų32.90%021%0.21CC..EExtended strand (participates in β ladder)trans-94.8142.5-178.600000111.9V159 Q160 V162 Y170 G171 I172 N200 M204V159-A202 CarbonylContact C-O 3.46Å; V159-A202 WeakPolarHBondContact CA-O 3.48Å; V159-A202 WeakPolarHBondContact CB-O 3.49Å; Q160-A202 PolarHBondContact N-O 3.41Å; Q160-A202 PolarHBondContact O-N 3.03Å; V162-A202 HydrophobicContact CB-CB 4.44Å; V162-A202 HydrophobicContact CG1-CB 3.82Å; V162-A202 HydrophobicContact CG2-CB 3.73Å; Y170-A202 HydrophobicContact CD2-CB 4.15Å; Y170-A202 HydrophobicContact CG-CB 4.03Å; G171-A202 CarbonylContact O-C 3.51Å; G171-A202 WeakPolarHBondContact O-CA 3.47Å; I172-A202 HydrophobicContact CD1-CB 3.61Å; N200-A202 PolarHBondContact O-N 2.9Å; A202-M204 HydrophobicContact CB-CE 3.56Å; A202-M204 WeakPolarHBondContact O-CG 3.44Å; A202-M204 PolarHBondContact O-N 3.15Å
203I97.6Very high96.7Very high11 Ų1132.6 Ų32.66%0.05621%0.208CC..EExtended strand (participates in β ladder)trans-67122174.1-62.2173.6000109.2I157 G158 G171 I173 F188 Y207 T231I157-I203 HydrophobicContact CG2-CB 4.29Å; I157-I203 HydrophobicContact CG2-CD1 4.35Å; I157-I203 HydrophobicContact CG2-CG1 3.98Å; I157-I203 HydrophobicContact CG2-CG2 3.57Å; G158-I203 WeakPolarHBondContact O-CA 3.43Å; G171-I203 WeakPolarHBondContact O-CG1 3.33Å; G171-I203 PolarHBondContact O-N 3.01Å; I173-I203 HydrophobicContact CG2-CG1 4.25Å; F188-I203 HydrophobicContact CD1-CD1 3.94Å; I203-Y207 HydrophobicContact CG2-CE1 3.61Å; I203-Y207 VanDerWaalsContact CG2-OH 3.27Å; I203-Y207 WeakPolarHBondContact CG2-OH 3.34Å; I203-T231 HydrophobicContact CD1-CG2 3.8Å
204M95.2Very high96.9Very high3 Ų329.5 Ų29.52%0.01518%0.182CC..EExtended strand (participates in β ladder)trans-115.977.8-172.7-66.3-52.7172.600111.9G158 Q160 V162 A202 R206 F248 R252G158-M204 PolarHBondContact O-N 2.91Å; Q160-M204 HydrophobicContact CB-CE 3.91Å; Q160-M204 HydrophobicContact CB-CG 3.69Å; Q160-M204 HydrophobicContact CG-CB 4.5Å; Q160-M204 HydrophobicContact CG-CG 3.83Å; V162-M204 HydrophobicContact CG1-CE 3.25Å; A202-M204 HydrophobicContact CB-CE 3.56Å; A202-M204 WeakPolarHBondContact O-CG 3.44Å; A202-M204 PolarHBondContact O-N 3.15Å; M204-R206 PolarHBondContact O-N 3.17Å; M204-F248 HydrophobicContact CB-CE1 3.59Å; M204-F248 HydrophobicContact CB-CZ 3.54Å; M204-F248 HydrophobicContact CG-CZ 4.34Å; M204-R252 VanDerWaalsContact SD-CD 3.56Å
205G95.3Very high97.1Very high1 Ų126.7 Ų26.71%0.0117%0.172CC..EExtended strand (participates in β ladder)trans57.33.5156.500000118.9L129 L130 D133L129-G205 WeakPolarHBondContact CA-O 3.37Å; L130-G205 PolarHBondContact N-O 2.94Å; D133-G205 VanDerWaalsContact OD2-CA 3.31Å; D133-G205 WeakPolarHBondContact OD2-CA 3Å
206R98.3Very high97.4Very high0 Ų024.2 Ų24.20%014%0.139CC..EExtended strand (participates in β ladder)trans-135.3128.1-172.6-64-62.6179.5-83.6-0.3108.8E44 V128 D133 A141 L145 G158 M204 F248E44-R206 VanDerWaalsContact CD-NE 3.3Å; E44-R206 IonicContact OE1-CZ 3.89Å; E44-R206 IonicContact OE1-NE 3.1Å; E44-R206 PolarHBondContact OE1-NE 3.16Å; E44-R206 IonicContact OE1-NH2 3.11Å; E44-R206 IonicContact OE2-CZ 3.06Å; E44-R206 VanDerWaalsContact OE2-CZ 3.25Å; E44-R206 IonicContact OE2-NE 2.77Å; E44-R206 PolarHBondContact OE2-NE 2.78Å; E44-R206 IonicContact OE2-NH2 3.42Å; E44-R206 PolarHBondContact OE2-NH2 3Å; V128-R206 WeakPolarHBondContact O-CA 3.48Å; D133-R206 PolarHBondContact O-NH1 3.13Å; D133-R206 VanDerWaalsContact O-NH1 3.07Å; D133-R206 PolarHBondContact O-NH2 2.94Å; A141-R206 HydrophobicContact CB-CG 4.3Å; L145-R206 HydrophobicContact CD2-CB 3.83Å; L145-R206 WeakPolarHBondContact CD2-O 3.42Å; G158-R206 PolarHBondContact N-O 3.06Å; M204-R206 PolarHBondContact O-N 3.17Å; R206-F248 HydrophobicContact CB-CE1 4.43Å; R206-F248 HydrophobicContact CG-CE1 4.42Å
207Y98.7Very high97.5Very high8 Ų820.3 Ų20.33%0.03111%0.114CC..EExtended strand (participates in β ladder)trans-140.5142.8-177.1-44.8-109.9000108.4A127 V128 L130 I157 I203 L230 I234A127-Y207 CarbonylContact C-O 3.6Å; A127-Y207 WeakPolarHBondContact CA-O 3.45Å; V128-Y207 HydrophobicContact CB-CD2 3.83Å; V128-Y207 HydrophobicContact CB-CG 4.21Å; V128-Y207 HydrophobicContact CG1-CD2 4.05Å; V128-Y207 PolarHBondContact N-O 2.9Å; V128-Y207 PolarHBondContact O-N 3.19Å; L130-Y207 HydrophobicContact CD1-CE2 4.38Å; L130-Y207 HydrophobicContact CD2-CE2 4.19Å; L130-Y207 HydrophobicContact CG-CE2 4.08Å; I157-Y207 HydrophobicContact CD1-CD1 3.8Å; I157-Y207 HydrophobicContact CG2-CD1 3.94Å; I157-Y207 HydrophobicContact CG2-CE1 4.01Å; I203-Y207 HydrophobicContact CG2-CE1 3.61Å; I203-Y207 VanDerWaalsContact CG2-OH 3.27Å; I203-Y207 WeakPolarHBondContact CG2-OH 3.34Å; Y207-L230 HydrophobicContact CD1-CD2 3.94Å; Y207-L230 HydrophobicContact CD2-CD2 4.49Å; Y207-L230 HydrophobicContact CE1-CD2 3.83Å; Y207-L230 HydrophobicContact CE2-CD2 4.41Å; Y207-L230 HydrophobicContact CG-CD2 4.31Å; Y207-I234 HydrophobicContact CD1-CD1 3.83Å; Y207-I234 HydrophobicContact CE1-CD1 3.96Å
208V98.7Very high97.5Very high0 Ų026.8 Ų26.80%014%0.137CC..EExtended strand (participates in β ladder)trans-117.6116.3161164.40000106.3I4 L145 I146 Y149 S155 V156I4-V208 HydrophobicContact CD1-CB 4.3Å; I4-V208 HydrophobicContact CD1-CG1 3.25Å; I4-V208 HydrophobicContact CD1-CG2 4.07Å; L145-V208 HydrophobicContact CB-CB 4.31Å; L145-V208 HydrophobicContact CB-CG2 3.66Å; I146-V208 HydrophobicContact CG1-CG2 3.86Å; Y149-V208 HydrophobicContact CD1-CG1 4.45Å; Y149-V208 HydrophobicContact CD2-CG1 4.01Å; Y149-V208 HydrophobicContact CG-CG1 3.73Å; S155-V208 CarbonylContact C-O 3.54Å; S155-V208 VanDerWaalsContact CA-O 3.23Å; S155-V208 WeakPolarHBondContact CA-O 3.46Å; S155-V208 WeakPolarHBondContact CB-O 3.39Å; V156-V208 HydrophobicContact CB-CB 4.41Å; V156-V208 PolarHBondContact N-O 2.79Å; V156-V208 PolarHBondContact O-N 2.94Å
209L98.7Very high97.5Very high0 Ų028.3 Ų28.30%015%0.146CC..EExtended strand (participates in β ladder)trans-119.3139.9-171.8-59.9173.6000110.5P125 F126 V128 I157 I213 L230 I234 M237P125-L209 WeakPolarHBondContact CA-O 3.15Å; F126-L209 HydrophobicContact CD1-CB 4.45Å; F126-L209 WeakPolarHBondContact CD1-O 3.41Å; F126-L209 HydrophobicContact CE1-CB 3.92Å; F126-L209 HydrophobicContact CE2-CB 4.21Å; F126-L209 HydrophobicContact CE2-CD1 4.06Å; F126-L209 HydrophobicContact CZ-CB 3.8Å; F126-L209 HydrophobicContact CZ-CD1 4.01Å; F126-L209 PolarHBondContact N-O 2.78Å; F126-L209 PolarHBondContact O-N 2.93Å; V128-L209 HydrophobicContact CG2-CD1 3.75Å; I157-L209 HydrophobicContact CD1-CD2 3.82Å; L209-I213 HydrophobicContact CB-CG2 4.1Å; L209-I213 HydrophobicContact CD1-CG1 4.27Å; L209-I213 HydrophobicContact CD1-CG2 4.33Å; L209-L230 HydrophobicContact CD1-CD1 4.21Å; L209-L230 HydrophobicContact CD1-CD2 4.43Å; L209-I234 HydrophobicContact CD2-CD1 4.32Å; L209-I234 HydrophobicContact CD2-CG1 4.3Å; L209-M237 HydrophobicContact CD2-CE 4.44Å
210T97.8Very high97.5Very high20 Ų2028.4 Ų28.412%0.12314%0.143CC..  trans-82.2152.5169.166.80000109.7Y149 S155 E212 I213Y149-T210 HydrophobicContact CD2-CG2 4.49Å; Y149-T210 HydrophobicContact CE2-CG2 3.99Å; S155-T210 PolarHBondContact OG-N 2.84Å; S155-T210 PolarHBondContact OG-OG1 3.49Å; T210-E212 WeakPolarHBondContact CB-OE2 3.42Å; T210-E212 PolarHBondContact O-N 3.18Å; T210-E212 VanDerWaalsContact O-N 3.09Å; T210-E212 PolarHBondContact OG1-OE2 2.96Å; T210-I213 WeakPolarHBondContact O-CG2 3.41Å; T210-I213 PolarHBondContact O-N 3.3Å; T210-I213 VanDerWaalsContact O-N 3.16Å
211P97.2Very high97.5Very high17 Ų1734.1 Ų34.111%0.1117%0.166CC..THydrogen-bonded Turntrans-62.3-19.7-17224.5-34.8000114.3N123 I213 F214N123-P211 WeakPolarHBondContact OD1-CB 3.1Å; N123-P211 WeakPolarHBondContact OD1-CG 3.36Å; P211-I213 PolarHBondContact O-N 3.39Å; P211-I213 VanDerWaalsContact O-N 3.17Å; P211-F214 WeakPolarHBondContact O-CB 3.31Å; P211-F214 VanDerWaalsContact O-CD2 3.3Å; P211-F214 WeakPolarHBondContact O-CD2 3.39Å; P211-F214 PolarHBondContact O-N 2.81Å; P211-F214 VanDerWaalsContact O-N 3.14Å
212E97.2Very high97.4Very high79 Ų7939.4 Ų39.437%0.36919%0.19SC..THydrogen-bonded Turntrans-57.8-27.5176.1-62.375.3-164.800112T210 F214 D215 Y216T210-E212 WeakPolarHBondContact CB-OE2 3.42Å; T210-E212 PolarHBondContact O-N 3.18Å; T210-E212 VanDerWaalsContact O-N 3.09Å; T210-E212 PolarHBondContact OG1-OE2 2.96Å; E212-F214 PolarHBondContact O-N 2.84Å; E212-D215 WeakPolarHBondContact O-CB 3.47Å; E212-D215 PolarHBondContact O-N 2.87Å; E212-Y216 HydrophobicContact CB-CE2 4.29Å; E212-Y216 WeakPolarHBondContact O-CD2 3.46Å
213I98.3Very high97.2Very high0 Ų040.8 Ų40.80%020%0.204CC..Hα-helixtrans-51.6-32.6176.4-167.855.4000112.4F126 L209 T210 P211 D215 Y216 L217 L230 A233 I234 M237F126-I213 HydrophobicContact CE1-CG2 3.86Å; F126-I213 HydrophobicContact CZ-CG2 3.67Å; L209-I213 HydrophobicContact CB-CG2 4.1Å; L209-I213 HydrophobicContact CD1-CG1 4.27Å; L209-I213 HydrophobicContact CD1-CG2 4.33Å; T210-I213 WeakPolarHBondContact O-CG2 3.41Å; T210-I213 PolarHBondContact O-N 3.3Å; T210-I213 VanDerWaalsContact O-N 3.16Å; P211-I213 PolarHBondContact O-N 3.39Å; P211-I213 VanDerWaalsContact O-N 3.17Å; I213-D215 VanDerWaalsContact C-N 3.26Å; I213-D215 PolarHBondContact O-N 3.16Å; I213-Y216 PolarHBondContact O-N 3.41Å; I213-L217 HydrophobicContact CG1-CD1 4.15Å; I213-L217 HydrophobicContact CG1-CG 4.31Å; I213-L217 WeakPolarHBondContact O-CB 3.45Å; I213-L217 WeakPolarHBondContact O-CG 3.44Å; I213-L217 PolarHBondContact O-N 3.46Å; I213-L230 HydrophobicContact CG1-CD1 4.24Å; I213-A233 HydrophobicContact CD1-CB 3.96Å; I213-I234 HydrophobicContact CD1-CG1 4.03Å; I213-M237 HydrophobicContact CB-SD 4.04Å; I213-M237 HydrophobicContact CD1-CB 4.48Å; I213-M237 HydrophobicContact CD1-CE 4.02Å; I213-M237 HydrophobicContact CD1-SD 4.03Å
214F98.3Very high96.9Very high1 Ų141.9 Ų41.90%0.00422%0.215CC..Hα-helixtrans-67.1-25.9179.7-70-62.3000113.3I8 I114 R118 I121 F126 P211 E212 L217 K218I8-F214 HydrophobicContact CD1-CZ 4.44Å; I114-F214 HydrophobicContact CG2-CE1 4.13Å; I114-F214 WeakPolarHBondContact O-CE1 3.43Å; R118-F214 HydrophobicContact CB-CD1 3.68Å; R118-F214 HydrophobicContact CB-CD2 4.48Å; R118-F214 HydrophobicContact CB-CE1 3.81Å; R118-F214 HydrophobicContact CB-CG 4.05Å; R118-F214 HydrophobicContact CB-CZ 4.29Å; R118-F214 HydrophobicContact CG-CB 3.97Å; R118-F214 HydrophobicContact CG-CD1 3.87Å; R118-F214 HydrophobicContact CG-CD2 3.99Å; R118-F214 HydrophobicContact CG-CE1 4.34Å; R118-F214 HydrophobicContact CG-CE2 4.45Å; R118-F214 HydrophobicContact CG-CG 3.69Å; R118-F214 VanDerWaalsContact NH1-CB 3.25Å; R118-F214 PolarHBondContact NH1-O 2.9Å; I121-F214 HydrophobicContact CB-CE2 3.85Å; I121-F214 HydrophobicContact CB-CZ 3.97Å; I121-F214 HydrophobicContact CG1-CE2 4.26Å; I121-F214 HydrophobicContact CG1-CZ 3.89Å; I121-F214 HydrophobicContact CG2-CE2 3.78Å; I121-F214 HydrophobicContact CG2-CZ 4.27Å; F126-F214 HydrophobicContact CD1-CE2 4.26Å; F126-F214 HydrophobicContact CE1-CD2 4.3Å; F126-F214 AromaticContact CE1-CE2 3.47Å; F126-F214 HydrophobicContact CE1-CE2 3.47Å; F126-F214 VanDerWaalsContact CE1-CE2 3.47Å; F126-F214 AromaticContact CE1-CZ 3.76Å; F126-F214 HydrophobicContact CE1-CZ 3.76Å; F126-F214 HydrophobicContact CE2-CZ 4.21Å; F126-F214 HydrophobicContact CZ-CE1 4.27Å; F126-F214 AromaticContact CZ-CE2 3.75Å; F126-F214 HydrophobicContact CZ-CE2 3.75Å; F126-F214 AromaticContact CZ-CZ 3.53Å; F126-F214 HydrophobicContact CZ-CZ 3.53Å; P211-F214 WeakPolarHBondContact O-CB 3.31Å; P211-F214 VanDerWaalsContact O-CD2 3.3Å; P211-F214 WeakPolarHBondContact O-CD2 3.39Å; P211-F214 PolarHBondContact O-N 2.81Å; P211-F214 VanDerWaalsContact O-N 3.14Å; E212-F214 PolarHBondContact O-N 2.84Å; F214-L217 HydrophobicContact CD1-CD1 4.26Å; F214-K218 WeakPolarHBondContact O-CB 3.39Å; F214-K218 PolarHBondContact O-N 3.47Å
215D97.5Very high96.7Very high86 Ų8645 Ų4546%0.4625%0.247SC..Hα-helixtrans-75.3-37.3176.3-66.5-23.8000111R118 E212 I213 K218R118-D215 IonicContact CZ-OD1 2.65Å; R118-D215 VanDerWaalsContact CZ-OD1 3.25Å; R118-D215 IonicContact NH1-OD1 2.75Å; R118-D215 PolarHBondContact NH1-OD1 3.48Å; R118-D215 IonicContact NH2-OD1 3.25Å; R118-D215 PolarHBondContact NH2-OD1 3.06Å; E212-D215 WeakPolarHBondContact O-CB 3.47Å; E212-D215 PolarHBondContact O-N 2.87Å; I213-D215 VanDerWaalsContact C-N 3.26Å; I213-D215 PolarHBondContact O-N 3.16Å; D215-K218 PolarHBondContact O-N 2.93Å
216Y98Very high96.6Very high26 Ų2651 Ų5110%0.10228%0.28CS..Hα-helixtrans-65.7-46.6171-59.6-84.6000111.5E212 I213 K218 T219 Q220 R236 M237 D240E212-Y216 HydrophobicContact CB-CE2 4.29Å; E212-Y216 WeakPolarHBondContact O-CD2 3.46Å; I213-Y216 PolarHBondContact O-N 3.41Å; Y216-K218 VanDerWaalsContact C-N 3.28Å; Y216-K218 PolarHBondContact O-N 3.26Å; Y216-T219 PolarHBondContact O-N 3.1Å; Y216-Q220 WeakPolarHBondContact O-CB 3.36Å; Y216-Q220 PolarHBondContact O-N 3.48Å; Y216-R236 HydrophobicContact CD1-CB 3.66Å; Y216-R236 HydrophobicContact CE1-CB 4.25Å; Y216-R236 PolarHBondContact O-NH1 3.26Å; Y216-M237 HydrophobicContact CD1-CB 4.38Å; Y216-M237 HydrophobicContact CD2-CB 3.73Å; Y216-M237 HydrophobicContact CD2-CG 4.06Å; Y216-M237 HydrophobicContact CD2-SD 4.4Å; Y216-M237 HydrophobicContact CE1-CB 4.28Å; Y216-M237 HydrophobicContact CE2-CB 3.65Å; Y216-M237 HydrophobicContact CE2-CG 3.64Å; Y216-M237 HydrophobicContact CE2-SD 4.3Å; Y216-M237 HydrophobicContact CG-CB 4.12Å; Y216-D240 WeakPolarHBondContact CE1-OD2 3.44Å; Y216-D240 VanDerWaalsContact OH-CB 3.28Å; Y216-D240 WeakPolarHBondContact OH-CB 3.38Å; Y216-D240 PolarHBondContact OH-OD2 2.95Å
217L97.9Very high96.5Very high7 Ų754.7 Ų54.74%0.03730%0.297CS..Hα-helixtrans-60.9-34.7177.4-74.7173000112.8G111 I114 I213 F214 T219 Q220 L230 A233G111-L217 VanDerWaalsContact CA-CD2 3.46Å; G111-L217 WeakPolarHBondContact O-CD2 3.31Å; I114-L217 HydrophobicContact CB-CD1 4.18Å; I114-L217 HydrophobicContact CG2-CD1 4.03Å; I213-L217 HydrophobicContact CG1-CD1 4.15Å; I213-L217 HydrophobicContact CG1-CG 4.31Å; I213-L217 WeakPolarHBondContact O-CB 3.45Å; I213-L217 WeakPolarHBondContact O-CG 3.44Å; I213-L217 PolarHBondContact O-N 3.46Å; F214-L217 HydrophobicContact CD1-CD1 4.26Å; L217-T219 VanDerWaalsContact C-N 3.26Å; L217-T219 PolarHBondContact O-N 3.01Å; L217-Q220 PolarHBondContact O-N 3.38Å; L217-L230 HydrophobicContact CD1-CD1 4.38Å; L217-L230 HydrophobicContact CD2-CD1 4.28Å; L217-A233 HydrophobicContact CD2-CB 3.59Å; L217-A233 HydrophobicContact CG-CB 3.97Å
218K96.5Very high96.4Very high163 Ų16355.5 Ų55.571%0.70930%0.301SS*.Hα-helixtrans-61.1-33.9179.1-178.8-179.8176.7-174.60112.7F214 D215 Y216F214-K218 WeakPolarHBondContact O-CB 3.39Å; F214-K218 PolarHBondContact O-N 3.47Å; D215-K218 PolarHBondContact O-N 2.93Å; Y216-K218 VanDerWaalsContact C-N 3.28Å; Y216-K218 PolarHBondContact O-N 3.26Å
219T96.7Very high96.3Very high87 Ų8755.8 Ų55.853%0.53430%0.303SS..THydrogen-bonded Turntrans-109.48.2-179.273.50000112.9Y216 L217 R236Y216-T219 PolarHBondContact O-N 3.1Å; L217-T219 VanDerWaalsContact C-N 3.26Å; L217-T219 PolarHBondContact O-N 3.01Å; T219-R236 PolarHBondContact OG1-NH1 2.91Å; T219-R236 PolarHBondContact OG1-NH2 3.2Å
220Q97.3Very high96.3Very high29 Ų2955.8 Ų55.814%0.13630%0.303CS..PPolyproline II helixtrans-72.4128.9-177.4-17454.738.100110.4Y216 L217 I228 D232 A233Y216-Q220 WeakPolarHBondContact O-CB 3.36Å; Y216-Q220 PolarHBondContact O-N 3.48Å; L217-Q220 PolarHBondContact O-N 3.38Å; Q220-I228 HydrophobicContact CB-CG2 4.04Å; Q220-I228 HydrophobicContact CG-CG2 3.91Å; Q220-D232 VanDerWaalsContact NE2-CB 3.33Å; Q220-A233 HydrophobicContact CG-CB 4.39Å
221K95.6Very high96.3Very high172 Ų17255 Ų5575%0.74830%0.298SS*.PPolyproline II helixtrans-87163.8173.6-65.7-176.9-179.6178.50110.3
222E96.3Very high96.3Very high118 Ų11856 Ų5655%0.55130%0.303SS*.PPolyproline II helixtrans-59.7134.1172.7-66.9170.4-170.400110.6E227 I228E222-E227 WeakPolarHBondContact CA-O 3.42Å; E222-I228 HydrophobicContact CG-CG1 4.32Å
223G94.4Very high96.3Very high29 Ų2952.3 Ų52.330%0.29929%0.285SS..  trans-116.3-130.8177.900000110.9G225 N226 E227G223-G225 PolarHBondContact O-N 2.89Å; G223-N226 PolarHBondContact O-N 2.66Å; G223-N226 VanDerWaalsContact O-N 3.16Å; G223-E227 PolarHBondContact N-O 3.19Å
224A91Very high96.3Very high33 Ų3352.3 Ų52.327%0.27329%0.285SS..G310 helixtrans-54.1130179.300000111.6E190 K191 N226 Q229E190-A224 HydrophobicContact CG-CB 4.04Å; K191-A224 HydrophobicContact CB-CB 4.47Å; K191-A224 HydrophobicContact CD-CB 4.21Å; A224-N226 VanDerWaalsContact C-N 3.32Å; A224-N226 PolarHBondContact O-N 2.82Å; A224-Q229 HydrophobicContact CB-CG 4.48Å; A224-Q229 PolarHBondContact O-NE2 3.01Å
225G90.3Very high96.3Very high68 Ų6853.7 Ų53.770%0.70129%0.292SS*.G310 helixtrans73.215.2178.500000115.7G223 E227G223-G225 PolarHBondContact O-N 2.89Å; G225-E227 PolarHBondContact O-N 3.3Å
226N94Very high96.4Very high128 Ų12853.6 Ų53.668%0.68429%0.285SS*.G310 helixtrans5934.2-172.7-52.7-43.4000112.7G223 A224G223-N226 PolarHBondContact O-N 2.66Å; G223-N226 VanDerWaalsContact O-N 3.16Å; A224-N226 VanDerWaalsContact C-N 3.32Å; A224-N226 PolarHBondContact O-N 2.82Å
227E95.4Very high96.4Very high77 Ų7752.5 Ų52.536%0.3628%0.28SS..SBendtrans-116.1147.1-179.7-76.3-177.4158.600110.1E222 G223 G225 Q229E222-E227 WeakPolarHBondContact CA-O 3.42Å; G223-E227 PolarHBondContact N-O 3.19Å; G225-E227 PolarHBondContact O-N 3.3Å; E227-Q229 PolarHBondContact O-N 3.31Å; E227-Q229 VanDerWaalsContact O-N 3.13Å; E227-Q229 PolarHBondContact OE2-NE2 3.49Å
228I97.1Very high96.4Very high25 Ų2552.8 Ų52.813%0.12828%0.282CS..  trans-72.5103.2167-59.8178000107K108 G109 L110 G111 H112 Q220 E222K108-I228 HydrophobicContact CB-CD1 4.4Å; K108-I228 VanDerWaalsContact O-CB 3.3Å; K108-I228 WeakPolarHBondContact O-CB 3.5Å; K108-I228 PolarHBondContact O-N 3.1Å; G109-I228 CarbonylContact C-O 3.57Å; L110-I228 PolarHBondContact N-O 2.82Å; G111-I228 WeakPolarHBondContact CA-O 3.18Å; G111-I228 PolarHBondContact N-O 3.49Å; H112-I228 HydrophobicContact CB-CB 4.25Å; H112-I228 HydrophobicContact CB-CD1 4.18Å; Q220-I228 HydrophobicContact CB-CG2 4.04Å; Q220-I228 HydrophobicContact CG-CG2 3.91Å; E222-I228 HydrophobicContact CG-CG1 4.32Å
229Q96.9Very high96.4Very high7 Ų750.2 Ų50.23%0.03328%0.276CS..  trans-86.5140.1-177.5-61.2-65-4.700111.3E190 A224 E227 D232E190-Q229 HydrophobicContact CG-CB 4.2Å; E190-Q229 HydrophobicContact CG-CG 3.93Å; A224-Q229 HydrophobicContact CB-CG 4.48Å; A224-Q229 PolarHBondContact O-NE2 3.01Å; E227-Q229 PolarHBondContact O-N 3.31Å; E227-Q229 VanDerWaalsContact O-N 3.13Å; E227-Q229 PolarHBondContact OE2-NE2 3.49Å; Q229-D232 HydrophobicContact CB-CB 4.38Å
230L97.8Very high96.4Very high0 Ų051.5 Ų51.50%028%0.28CS..Hα-helixtrans-69.4-40.3175.4177.960.9000110.7L110 I114 Y207 L209 I213 L217 D232 A233 I234L110-L230 HydrophobicContact CD2-CB 3.91Å; L110-L230 HydrophobicContact CD2-CD2 4.22Å; L110-L230 HydrophobicContact CG-CB 3.95Å; L110-L230 HydrophobicContact CG-CD2 4.42Å; I114-L230 HydrophobicContact CG1-CD2 4.26Å; Y207-L230 HydrophobicContact CD1-CD2 3.94Å; Y207-L230 HydrophobicContact CD2-CD2 4.49Å; Y207-L230 HydrophobicContact CE1-CD2 3.83Å; Y207-L230 HydrophobicContact CE2-CD2 4.41Å; Y207-L230 HydrophobicContact CG-CD2 4.31Å; L209-L230 HydrophobicContact CD1-CD1 4.21Å; L209-L230 HydrophobicContact CD1-CD2 4.43Å; I213-L230 HydrophobicContact CG1-CD1 4.24Å; L217-L230 HydrophobicContact CD1-CD1 4.38Å; L217-L230 HydrophobicContact CD2-CD1 4.28Å; L230-D232 VanDerWaalsContact C-N 3.31Å; L230-D232 PolarHBondContact O-N 3.28Å; L230-A233 PolarHBondContact O-N 3.34Å; L230-A233 VanDerWaalsContact O-N 3.09Å; L230-I234 HydrophobicContact CD1-CD1 4.28Å; L230-I234 HydrophobicContact CD1-CG1 4.35Å; L230-I234 HydrophobicContact CD2-CD1 4.33Å; L230-I234 HydrophobicContact CG-CD1 3.76Å; L230-I234 HydrophobicContact CG-CG1 4.31Å; L230-I234 WeakPolarHBondContact O-CG1 3.31Å; L230-I234 PolarHBondContact O-N 3.09Å
231T97.8Very high96.2Very high4 Ų454.1 Ų54.13%0.02530%0.295CS..Hα-helixtrans-56.1-42.1177.9-50.40000112.5F188 E190 I203 A233 I234 E235F188-T231 HydrophobicContact CB-CG2 4Å; E190-T231 HydrophobicContact CB-CG2 3.95Å; E190-T231 WeakPolarHBondContact OE2-CB 3.35Å; E190-T231 PolarHBondContact OE2-OG1 2.93Å; I203-T231 HydrophobicContact CD1-CG2 3.8Å; T231-A233 VanDerWaalsContact C-N 3.31Å; T231-A233 PolarHBondContact O-N 3.08Å; T231-I234 PolarHBondContact O-N 2.58Å; T231-E235 PolarHBondContact O-N 2.88Å
232D97.6Very high96.3Very high38 Ų3848.5 Ų48.520%0.20327%0.271CS..Hα-helixtrans-64.7-36.2178-64-19.4000112.2Q220 Q229 L230 R236Q220-D232 VanDerWaalsContact NE2-CB 3.33Å; Q229-D232 HydrophobicContact CB-CB 4.38Å; L230-D232 VanDerWaalsContact C-N 3.31Å; L230-D232 PolarHBondContact O-N 3.28Å; D232-R236 WeakPolarHBondContact O-CG 3.38Å; D232-R236 PolarHBondContact O-N 2.86Å
233A98.2Very high96.4Very high0 Ų043 Ų430%025%0.245CC..Hα-helixtrans-72.3-37.2175.700000111.7I213 L217 Q220 L230 T231 R236 M237I213-A233 HydrophobicContact CD1-CB 3.96Å; L217-A233 HydrophobicContact CD2-CB 3.59Å; L217-A233 HydrophobicContact CG-CB 3.97Å; Q220-A233 HydrophobicContact CG-CB 4.39Å; L230-A233 PolarHBondContact O-N 3.34Å; L230-A233 VanDerWaalsContact O-N 3.09Å; T231-A233 VanDerWaalsContact C-N 3.31Å; T231-A233 PolarHBondContact O-N 3.08Å; A233-R236 PolarHBondContact O-N 2.88Å; A233-M237 WeakPolarHBondContact O-CB 3.32Å; A233-M237 PolarHBondContact O-N 3.17Å
234I98.5Very high96.6Very high0 Ų043 Ų430%024%0.236CC..Hα-helixtrans-63.3-42.5173.2-68.1164.7000110.4I157 F188 Y207 L209 I213 L230 T231 R236 M237 N238 V243I157-I234 HydrophobicContact CD1-CD1 3.9Å; I157-I234 HydrophobicContact CD1-CG2 4.44Å; I157-I234 HydrophobicContact CG1-CD1 4.37Å; I157-I234 HydrophobicContact CG1-CG2 4.25Å; F188-I234 HydrophobicContact CD1-CG2 4.05Å; F188-I234 HydrophobicContact CD2-CG2 3.89Å; F188-I234 HydrophobicContact CE1-CG2 4.02Å; F188-I234 HydrophobicContact CE2-CG2 3.85Å; F188-I234 HydrophobicContact CG-CG2 4Å; F188-I234 HydrophobicContact CZ-CG2 3.92Å; Y207-I234 HydrophobicContact CD1-CD1 3.83Å; Y207-I234 HydrophobicContact CE1-CD1 3.96Å; L209-I234 HydrophobicContact CD2-CD1 4.32Å; L209-I234 HydrophobicContact CD2-CG1 4.3Å; I213-I234 HydrophobicContact CD1-CG1 4.03Å; L230-I234 HydrophobicContact CD1-CD1 4.28Å; L230-I234 HydrophobicContact CD1-CG1 4.35Å; L230-I234 HydrophobicContact CD2-CD1 4.33Å; L230-I234 HydrophobicContact CG-CD1 3.76Å; L230-I234 HydrophobicContact CG-CG1 4.31Å; L230-I234 WeakPolarHBondContact O-CG1 3.31Å; L230-I234 PolarHBondContact O-N 3.09Å; T231-I234 PolarHBondContact O-N 2.58Å; I234-R236 VanDerWaalsContact C-N 3.35Å; I234-R236 PolarHBondContact O-N 2.74Å; I234-M237 CarbonylContact O-C 3.59Å; I234-M237 WeakPolarHBondContact O-CB 3.32Å; I234-M237 PolarHBondContact O-N 3.31Å; I234-N238 WeakPolarHBondContact O-CB 3.39Å; I234-N238 PolarHBondContact O-N 3.18Å; I234-V243 HydrophobicContact CG2-CG1 4.03Å; I234-V243 HydrophobicContact CG2-CG2 4.42Å
235E98.3Very high97Very high30 Ų3041.4 Ų41.414%0.1422%0.223CC..Hα-helixtrans-59.6-45.1176.4171.753-164.500111.6K187 F188 T231 M237 N238 N239K187-E235 WeakPolarHBondContact CA-OE2 3.28Å; F188-E235 HydrophobicContact CB-CB 4.12Å; F188-E235 PolarHBondContact N-OE2 2.8Å; T231-E235 PolarHBondContact O-N 2.88Å; E235-M237 VanDerWaalsContact C-N 3.32Å; E235-M237 PolarHBondContact O-N 3.07Å; E235-N238 WeakPolarHBondContact O-CB 3.44Å; E235-N238 PolarHBondContact O-N 3Å; E235-N239 PolarHBondContact O-N 2.83Å; E235-N239 VanDerWaalsContact O-N 3.15Å; E235-N239 PolarHBondContact O-ND2 3.07Å; E235-N239 PolarHBondContact OE1-ND2 2.98Å
236R98.1Very high97.4Very high85 Ų8540.1 Ų40.132%0.32120%0.198SC..Hα-helixtrans-63.3-40.8175.7-71.1171.460.3-145.9-10.2111.9Y216 T219 D232 A233 I234 N238 N239Y216-R236 HydrophobicContact CD1-CB 3.66Å; Y216-R236 HydrophobicContact CE1-CB 4.25Å; Y216-R236 PolarHBondContact O-NH1 3.26Å; T219-R236 PolarHBondContact OG1-NH1 2.91Å; T219-R236 PolarHBondContact OG1-NH2 3.2Å; D232-R236 WeakPolarHBondContact O-CG 3.38Å; D232-R236 PolarHBondContact O-N 2.86Å; A233-R236 PolarHBondContact O-N 2.88Å; I234-R236 VanDerWaalsContact C-N 3.35Å; I234-R236 PolarHBondContact O-N 2.74Å; R236-N238 VanDerWaalsContact C-N 3.33Å; R236-N239 PolarHBondContact O-N 3.42Å
237M98.1Very high97.6Very high2 Ų235.4 Ų35.41%0.0117%0.173CC..Hα-helixtrans-61.6-42.1174-176.5172.370.400111.7S155 L209 I213 Y216 A233 I234 E235 N239 D240 N241 V243S155-M237 VanDerWaalsContact OG-CE 3.26Å; S155-M237 WeakPolarHBondContact OG-CE 3.27Å; L209-M237 HydrophobicContact CD2-CE 4.44Å; I213-M237 HydrophobicContact CB-SD 4.04Å; I213-M237 HydrophobicContact CD1-CB 4.48Å; I213-M237 HydrophobicContact CD1-CE 4.02Å; I213-M237 HydrophobicContact CD1-SD 4.03Å; Y216-M237 HydrophobicContact CD1-CB 4.38Å; Y216-M237 HydrophobicContact CD2-CB 3.73Å; Y216-M237 HydrophobicContact CD2-CG 4.06Å; Y216-M237 HydrophobicContact CD2-SD 4.4Å; Y216-M237 HydrophobicContact CE1-CB 4.28Å; Y216-M237 HydrophobicContact CE2-CB 3.65Å; Y216-M237 HydrophobicContact CE2-CG 3.64Å; Y216-M237 HydrophobicContact CE2-SD 4.3Å; Y216-M237 HydrophobicContact CG-CB 4.12Å; A233-M237 WeakPolarHBondContact O-CB 3.32Å; A233-M237 PolarHBondContact O-N 3.17Å; I234-M237 CarbonylContact O-C 3.59Å; I234-M237 WeakPolarHBondContact O-CB 3.32Å; I234-M237 PolarHBondContact O-N 3.31Å; E235-M237 VanDerWaalsContact C-N 3.32Å; E235-M237 PolarHBondContact O-N 3.07Å; M237-N239 VanDerWaalsContact C-N 3.27Å; M237-N239 PolarHBondContact O-N 2.87Å; M237-D240 PolarHBondContact O-N 2.85Å; M237-D240 VanDerWaalsContact O-N 3.09Å; M237-N241 CarbonylContact C-O 3.57Å; M237-N241 CarbonylContact O-C 3.59Å; M237-N241 PolarHBondContact O-N 2.9Å; M237-V243 HydrophobicContact CE-CG2 3.57Å; M237-V243 HydrophobicContact CG-CG2 4.28Å
238N98.2Very high97.7Very high14 Ų1431.9 Ų31.98%0.07516%0.156CC..Hα-helixtrans-61.3-33.4179.4-169.857000113.2V185 K186 F188 I234 E235 R236 D240 N241 Q242 V243V185-N238 PolarHBondContact O-ND2 3.43Å; V185-N238 PolarHBondContact O-OD1 2.95Å; K186-N238 PolarHBondContact O-ND2 3.44Å; F188-N238 HydrophobicContact CD2-CB 4.02Å; F188-N238 HydrophobicContact CE2-CB 3.88Å; I234-N238 WeakPolarHBondContact O-CB 3.39Å; I234-N238 PolarHBondContact O-N 3.18Å; E235-N238 WeakPolarHBondContact O-CB 3.44Å; E235-N238 PolarHBondContact O-N 3Å; R236-N238 VanDerWaalsContact C-N 3.33Å; N238-D240 VanDerWaalsContact C-N 3.3Å; N238-D240 PolarHBondContact O-N 2.89Å; N238-N241 VanDerWaalsContact CA-O 3.24Å; N238-N241 WeakPolarHBondContact CA-O 3.5Å; N238-Q242 PolarHBondContact OD1-NE2 3.3Å; N238-V243 HydrophobicContact CB-CB 4.21Å; N238-V243 HydrophobicContact CB-CG2 3.97Å; N238-V243 WeakPolarHBondContact OD1-CB 3.23Å; N238-V243 PolarHBondContact OD1-N 3.24Å
239N97.4Very high97.7Very high108 Ų10835.3 Ų35.358%0.57817%0.172SC*.Hα-helixtrans-68.9-28176.5-75-66.3000112.9E235 R236 M237E235-N239 PolarHBondContact O-N 2.83Å; E235-N239 VanDerWaalsContact O-N 3.15Å; E235-N239 PolarHBondContact O-ND2 3.07Å; E235-N239 PolarHBondContact OE1-ND2 2.98Å; R236-N239 PolarHBondContact O-N 3.42Å; M237-N239 VanDerWaalsContact C-N 3.27Å; M237-N239 PolarHBondContact O-N 2.87Å
240D96.7Very high97.6Very high115 Ų11536.4 Ų36.462%0.61518%0.184SC*.Hα-helixtrans-98.2-36-179.5-69.2-20.5000112.2Y216 M237 N238Y216-D240 WeakPolarHBondContact CE1-OD2 3.44Å; Y216-D240 VanDerWaalsContact OH-CB 3.28Å; Y216-D240 WeakPolarHBondContact OH-CB 3.38Å; Y216-D240 PolarHBondContact OH-OD2 2.95Å; M237-D240 PolarHBondContact O-N 2.85Å; M237-D240 VanDerWaalsContact O-N 3.09Å; N238-D240 VanDerWaalsContact C-N 3.3Å; N238-D240 PolarHBondContact O-N 2.89Å
241N93.3Very high97.5Very high83 Ų8341.2 Ų41.244%0.44421%0.207SC..SBendtrans-142.2128.8179.7-65.9-65.5000110.1M237 N238 V243M237-N241 CarbonylContact C-O 3.57Å; M237-N241 CarbonylContact O-C 3.59Å; M237-N241 PolarHBondContact O-N 2.9Å; N238-N241 VanDerWaalsContact CA-O 3.24Å; N238-N241 WeakPolarHBondContact CA-O 3.5Å; N241-V243 PolarHBondContact O-N 3.01Å
242Q97.2Very high97.3Very high55 Ų5543.5 Ų43.526%0.25722%0.215SC..  trans-50.7131.2-179.2-173.363.762.600112H154 V185 N238 Y244H154-Q242 WeakPolarHBondContact CB-O 3.21Å; H154-Q242 PolarHBondContact ND1-O 3.28Å; V185-Q242 PolarHBondContact O-NE2 2.84Å; N238-Q242 PolarHBondContact OD1-NE2 3.3Å; Q242-Y244 HydrophobicContact CB-CE2 4.47Å; Q242-Y244 HydrophobicContact CG-CD2 4.25Å; Q242-Y244 HydrophobicContact CG-CE2 3.74Å
243V98.5Very high97.2Very high1 Ų142 Ų421%0.00621%0.207CC..  trans-112.3136.4168.4-178.40000108.1S155 I157 V185 F188 I234 M237 N238 N241S155-V243 WeakPolarHBondContact O-CG1 3.37Å; I157-V243 HydrophobicContact CD1-CG1 4.15Å; I157-V243 HydrophobicContact CG1-CG1 3.81Å; V185-V243 PolarHBondContact N-O 3.32Å; F188-V243 HydrophobicContact CE2-CB 3.87Å; F188-V243 HydrophobicContact CE2-CG1 3.99Å; F188-V243 HydrophobicContact CZ-CB 3.96Å; F188-V243 HydrophobicContact CZ-CG1 3.59Å; I234-V243 HydrophobicContact CG2-CG1 4.03Å; I234-V243 HydrophobicContact CG2-CG2 4.42Å; M237-V243 HydrophobicContact CE-CG2 3.57Å; M237-V243 HydrophobicContact CG-CG2 4.28Å; N238-V243 HydrophobicContact CB-CB 4.21Å; N238-V243 HydrophobicContact CB-CG2 3.97Å; N238-V243 WeakPolarHBondContact OD1-CB 3.23Å; N238-V243 PolarHBondContact OD1-N 3.24Å; N241-V243 PolarHBondContact O-N 3.01Å
244Y98.6Very high96.9Very high29 Ų2943.6 Ų43.611%0.11422%0.215CC..EExtended strand (participates in β ladder)trans-96.9156.9177.1-71.5-93.8000110.6T152 H154 S155 V156 I157 Q182 Y183 E184 Q242T152-Y244 HydrophobicContact CG2-CD2 4.23Å; T152-Y244 HydrophobicContact CG2-CE1 4.5Å; T152-Y244 HydrophobicContact CG2-CE2 4.06Å; H154-Y244 HydrophobicContact CB-CD2 3.63Å; H154-Y244 HydrophobicContact CB-CE2 3.8Å; H154-Y244 AromaticContact CD2-CE2 3.84Å; H154-Y244 AromaticContact CG-CE2 3.9Å; S155-Y244 PolarHBondContact O-N 3Å; V156-Y244 CarbonylContact C-O 3.5Å; V156-Y244 WeakPolarHBondContact CA-O 3.1Å; I157-Y244 PolarHBondContact N-O 2.95Å; Q182-Y244 HydrophobicContact CG-CD1 3.8Å; Y183-Y244 CarbonylContact O-C 3.59Å; Y183-Y244 VanDerWaalsContact O-CA 3.31Å; Y183-Y244 WeakPolarHBondContact O-CA 3.3Å; Y183-Y244 WeakPolarHBondContact O-CD1 3.23Å; E184-Y244 HydrophobicContact CB-CE1 4.4Å; E184-Y244 HydrophobicContact CG-CD1 3.99Å; E184-Y244 HydrophobicContact CG-CE1 3.32Å; E184-Y244 PolarHBondContact OE1-OH 3.11Å; Q242-Y244 HydrophobicContact CB-CE2 4.47Å; Q242-Y244 HydrophobicContact CG-CD2 4.25Å; Q242-Y244 HydrophobicContact CG-CE2 3.74Å
245A98.7Very high96.6Very high0 Ų043.9 Ų43.90%022%0.217CC..EExtended strand (participates in β ladder)trans-117.6152.216300000110.3I157 V159 I173 Q182 Y183 V185I157-A245 CarbonylContact O-C 3.54Å; I157-A245 WeakPolarHBondContact O-CA 3.07Å; V159-A245 HydrophobicContact CG1-CB 3.89Å; V159-A245 HydrophobicContact CG2-CB 4.04Å; I173-A245 HydrophobicContact CD1-CB 3.57Å; Q182-A245 CarbonylContact C-O 3.59Å; Q182-A245 WeakPolarHBondContact CA-O 3.34Å; Y183-A245 PolarHBondContact N-O 3.22Å; Y183-A245 PolarHBondContact O-N 3.45Å; V185-A245 HydrophobicContact CG2-CB 3.53Å
246Y98.6Very high96.3Very high41 Ų4142.7 Ų42.716%0.16121%0.212CC..EExtended strand (participates in β ladder)trans-135.2123.2179-170-100.2000110.8Q144 L145 V148 I157 G158 V159 R181 Q182 F248Q144-Y246 HydrophobicContact CB-CD1 4.17Å; Q144-Y246 HydrophobicContact CB-CE1 3.73Å; L145-Y246 HydrophobicContact CD1-CD1 4.2Å; V148-Y246 HydrophobicContact CG2-CD2 3.43Å; V148-Y246 VanDerWaalsContact CG2-CD2 3.43Å; V148-Y246 HydrophobicContact CG2-CE2 3.78Å; V148-Y246 HydrophobicContact CG2-CG 3.88Å; I157-Y246 PolarHBondContact O-N 2.86Å; G158-Y246 WeakPolarHBondContact CA-O 3.42Å; V159-Y246 PolarHBondContact N-O 2.77Å; R181-Y246 HydrophobicContact CB-CD2 4.16Å; R181-Y246 HydrophobicContact CB-CE1 4.48Å; R181-Y246 HydrophobicContact CB-CE2 3.61Å; R181-Y246 WeakPolarHBondContact O-CA 3.27Å; Q182-Y246 HydrophobicContact CB-CD2 4.06Å; Y246-F248 VanDerWaalsContact C-N 3.33Å; Y246-F248 HydrophobicContact CD1-CB 3.97Å; Y246-F248 HydrophobicContact CE1-CB 4.26Å; Y246-F248 PolarHBondContact O-N 2.72Å
247D98.1Very high96Very high30 Ų3041.2 Ų41.216%0.1621%0.209CC..EExtended strand (participates in β ladder)trans-78.981.7175.1177.330.2000110.1V159 R181 Y183V159-D247 HydrophobicContact CG2-CB 4.31Å; V159-D247 WeakPolarHBondContact O-CA 3.47Å; R181-D247 HydrophobicContact CB-CB 4.37Å; R181-D247 WeakPolarHBondContact CD-O 3.49Å; R181-D247 PolarHBondContact NH1-O 3.35Å; R181-D247 IonicContact NH1-OD2 2.65Å; R181-D247 PolarHBondContact O-N 3.3Å; Y183-D247 HydrophobicContact CE2-CB 3.84Å
248F97.8Very high95.8Very high2 Ų246.9 Ų46.91%0.00923%0.234CC..  trans-68.4149.6-172.262.5-104.6000112.3V135 A141 L145 Q160 M204 R206 Y246V135-F248 HydrophobicContact CG1-CD2 4.21Å; V135-F248 HydrophobicContact CG1-CE2 3.73Å; V135-F248 HydrophobicContact CG2-CE2 4.08Å; V135-F248 HydrophobicContact CG2-CZ 4.21Å; A141-F248 HydrophobicContact CB-CB 4.33Å; A141-F248 HydrophobicContact CB-CD1 4.44Å; A141-F248 HydrophobicContact CB-CD2 3.64Å; A141-F248 HydrophobicContact CB-CE2 4.02Å; A141-F248 HydrophobicContact CB-CG 3.89Å; L145-F248 HydrophobicContact CD1-CB 4.21Å; L145-F248 HydrophobicContact CD1-CD1 4.16Å; Q160-F248 HydrophobicContact CG-CE1 4.43Å; Q160-F248 HydrophobicContact CG-CE2 4.06Å; Q160-F248 HydrophobicContact CG-CZ 4.02Å; M204-F248 HydrophobicContact CB-CE1 3.59Å; M204-F248 HydrophobicContact CB-CZ 3.54Å; M204-F248 HydrophobicContact CG-CZ 4.34Å; R206-F248 HydrophobicContact CB-CE1 4.43Å; R206-F248 HydrophobicContact CG-CE1 4.42Å; Y246-F248 VanDerWaalsContact C-N 3.33Å; Y246-F248 HydrophobicContact CD1-CB 3.97Å; Y246-F248 HydrophobicContact CE1-CB 4.26Å; Y246-F248 PolarHBondContact O-N 2.72Å
249E97.2Very high95.6Very high98 Ų9851.8 Ų51.846%0.45826%0.259SS..  trans-81.7135.2174.6-66.8-175.312000110.7S137 Q144 R181S137-E249 VanDerWaalsContact CB-O 3.23Å; S137-E249 WeakPolarHBondContact CB-O 3.34Å; S137-E249 PolarHBondContact OG-O 2.85Å; Q144-E249 PolarHBondContact NE2-O 2.68Å; R181-E249 IonicContact CZ-OE1 3.52Å; R181-E249 VanDerWaalsContact CZ-OE1 3.31Å; R181-E249 IonicContact NE-OE1 2.77Å; R181-E249 VanDerWaalsContact NH1-CG 3.35Å; R181-E249 VanDerWaalsContact NH2-CG 3.3Å; R181-E249 IonicContact NH2-OE1 3.97Å; R181-E249 PolarHBondContact NH2-OE1 2.67Å
250G95.5Very high95.5Very high29 Ų2947.5 Ų47.530%0.29924%0.24SC..SBendtrans145.7159.7176.100000112.6E136 Q160E136-G250 CarbonylContact O-C 3.45Å; E136-G250 WeakPolarHBondContact O-CA 3.48Å; Q160-G250 PolarHBondContact NE2-O 3.36Å; Q160-G250 VanDerWaalsContact NE2-O 3.13Å
251E95.1Very high95.5Very high101 Ų10143.7 Ų43.747%0.47222%0.219SC..EExtended strand (participates in β ladder)trans-90.2116.1174.2-169.2163.2-157.200109.3V135 E136 Y253 K271V135-E251 WeakPolarHBondContact CA-O 3.31Å; E136-E251 PolarHBondContact N-O 3.25Å; E136-E251 PolarHBondContact O-N 3.09Å; E251-Y253 HydrophobicContact CB-CE2 4.31Å; E251-Y253 HydrophobicContact CG-CE1 4.14Å; E251-Y253 HydrophobicContact CG-CE2 4.03Å; E251-Y253 PolarHBondContact OE2-OH 3.38Å; E251-Y253 VanDerWaalsContact OE2-OH 3.07Å; E251-K271 IonicContact OE2-NZ 2.72Å
252R94.2Very high95.6Very high52 Ų5243.3 Ų43.320%0.19622%0.219CC..EExtended strand (participates in β ladder)trans-89.7133.2178.7177.4-176.7166.8-98.3-3.5110.6D133 I134 V135 M204 D254D133-R252 IonicContact OD1-CZ 3.03Å; D133-R252 IonicContact OD1-NE 2.92Å; D133-R252 PolarHBondContact OD1-NE 2.97Å; D133-R252 IonicContact OD1-NH2 2.9Å; D133-R252 PolarHBondContact OD1-NH2 3.39Å; I134-R252 CarbonylContact O-C 3.46Å; I134-R252 WeakPolarHBondContact O-CA 3.49Å; V135-R252 HydrophobicContact CG2-CB 4.37Å; V135-R252 HydrophobicContact CG2-CG 4.39Å; M204-R252 VanDerWaalsContact SD-CD 3.56Å; R252-D254 IonicContact CZ-OD2 3.95Å; R252-D254 VanDerWaalsContact NH2-CG 3.35Å; R252-D254 IonicContact NH2-OD2 2.81Å; R252-D254 PolarHBondContact NH2-OD2 3.18Å; R252-D254 VanDerWaalsContact NH2-OD2 3.08Å
253Y94.4Very high95.5Very high8 Ų846.1 Ų46.13%0.03123%0.23CC..EExtended strand (participates in β ladder)trans-116.8108174.3-64.3-66.8000110.5I134 E136 E251 V255 T264 E267 Y268 K271I134-Y253 HydrophobicContact CG2-CD2 4.36Å; I134-Y253 PolarHBondContact N-O 3.49Å; I134-Y253 PolarHBondContact O-N 3.35Å; E136-Y253 HydrophobicContact CB-CE2 4.3Å; E136-Y253 HydrophobicContact CG-CD2 4.32Å; E136-Y253 HydrophobicContact CG-CE2 3.89Å; E251-Y253 HydrophobicContact CB-CE2 4.31Å; E251-Y253 HydrophobicContact CG-CE1 4.14Å; E251-Y253 HydrophobicContact CG-CE2 4.03Å; E251-Y253 PolarHBondContact OE2-OH 3.38Å; E251-Y253 VanDerWaalsContact OE2-OH 3.07Å; Y253-V255 PolarHBondContact O-N 3.15Å; Y253-V255 VanDerWaalsContact O-N 3.16Å; Y253-T264 WeakPolarHBondContact CB-OG1 3.35Å; Y253-T264 HydrophobicContact CD1-CG2 4Å; Y253-T264 WeakPolarHBondContact CD1-OG1 3.47Å; Y253-T264 HydrophobicContact CG-CG2 3.89Å; Y253-E267 WeakPolarHBondContact CE1-OE2 3.28Å; Y253-E267 PolarHBondContact OH-OE2 3.15Å; Y253-Y268 HydrophobicContact CD2-CE2 4.06Å; Y253-Y268 AromaticContact CE2-CE2 3.96Å; Y253-Y268 HydrophobicContact CE2-CE2 3.96Å; Y253-K271 PolarHBondContact OH-NZ 2.89Å
254D92.3Very high95.4Very high33 Ų3346.2 Ų46.218%0.17623%0.231CC..EExtended strand (participates in β ladder)trans-79.691.1172.8-171.1-23.2000110.2R252 G256 G260R252-D254 IonicContact CZ-OD2 3.95Å; R252-D254 VanDerWaalsContact NH2-CG 3.35Å; R252-D254 IonicContact NH2-OD2 2.81Å; R252-D254 PolarHBondContact NH2-OD2 3.18Å; R252-D254 VanDerWaalsContact NH2-OD2 3.08Å; D254-G256 VanDerWaalsContact C-N 3.26Å; D254-G256 PolarHBondContact OD1-N 2.97Å; D254-G260 CarbonylContact O-C 3.53Å; D254-G260 VanDerWaalsContact O-CA 3.23Å; D254-G260 WeakPolarHBondContact O-CA 3.44Å
255V93.2Very high95.3Very high6 Ų646.7 Ų46.74%0.03624%0.237CC..THydrogen-bonded Turntrans-89.34.4178.5-62.50000112.3I32 T37 D132 I134 Y253 E257 F261 T264I32-V255 HydrophobicContact CD1-CG1 4Å; I32-V255 HydrophobicContact CG1-CG1 4.49Å; T37-V255 HydrophobicContact CG2-CG2 3.38Å; D132-V255 VanDerWaalsContact O-CG2 3.24Å; D132-V255 WeakPolarHBondContact O-CG2 3.46Å; D132-V255 PolarHBondContact O-N 2.75Å; D132-V255 VanDerWaalsContact O-N 3.11Å; I134-V255 HydrophobicContact CD1-CG1 4.06Å; I134-V255 HydrophobicContact CD1-CG2 4.12Å; I134-V255 HydrophobicContact CG1-CG2 4.2Å; Y253-V255 PolarHBondContact O-N 3.15Å; Y253-V255 VanDerWaalsContact O-N 3.16Å; V255-E257 VanDerWaalsContact C-N 3.3Å; V255-F261 HydrophobicContact CB-CD2 4.29Å; V255-T264 HydrophobicContact CG1-CG2 3.82Å
256G90.6Very high95.2Very high4 Ų450 Ų504%0.04125%0.254CS..THydrogen-bonded Turntrans-76.5-15.6174.700000113.9R17 F18 D254R17-G256 WeakPolarHBondContact CD-O 3.41Å; F18-G256 WeakPolarHBondContact CE2-O 3.38Å; D254-G256 VanDerWaalsContact C-N 3.26Å; D254-G256 PolarHBondContact OD1-N 2.97Å
257E91.7Very high95.1Very high55 Ų5551.1 Ų51.126%0.25726%0.261SS..SBendtrans-113147.8176.2-66.5-71.3175.900111.4R17 R169 V255 L259 G260 F261R17-E257 VanDerWaalsContact CD-CD 3.48Å; R17-E257 WeakPolarHBondContact CD-OE1 3.48Å; R17-E257 VanDerWaalsContact CD-OE2 3.28Å; R17-E257 WeakPolarHBondContact CD-OE2 3.43Å; R17-E257 IonicContact CZ-OE1 2.73Å; R17-E257 IonicContact NE-OE1 2.69Å; R17-E257 PolarHBondContact NE-OE1 3.16Å; R17-E257 IonicContact NE-OE2 3.02Å; R17-E257 PolarHBondContact NE-OE2 3.32Å; R17-E257 IonicContact NH2-OE1 2.78Å; R17-E257 PolarHBondContact NH2-OE1 2.75Å; R169-E257 IonicContact NH2-OE1 2.64Å; V255-E257 VanDerWaalsContact C-N 3.3Å; E257-L259 VanDerWaalsContact C-N 3.34Å; E257-L259 PolarHBondContact O-N 3.46Å; E257-G260 PolarHBondContact O-N 3.23Å; E257-F261 WeakPolarHBondContact O-CB 3.37Å; E257-F261 PolarHBondContact O-N 2.87Å
258K94.4Very high95Very high121 Ų12150.6 Ų50.653%0.52626%0.256SS..Hα-helixtrans-58.3-43.6-177.2-65.2-173.9-172.9-178.20113.1R17 F18 V262R17-K258 WeakPolarHBondContact O-CE 3.35Å; F18-K258 HydrophobicContact CD1-CG 4.43Å; F18-K258 HydrophobicContact CE1-CG 4.18Å; F18-K258 HydrophobicContact CZ-CG 4.37Å; K258-V262 WeakPolarHBondContact O-CG2 3.38Å; K258-V262 PolarHBondContact O-N 3.26Å
259L94.6Very high94.9Very high117 Ų11750.9 Ų50.961%0.61326%0.259SS*.Hα-helixtrans-67.1-43.9-178.4178.460.9000111.1E257 V262 K263E257-L259 VanDerWaalsContact C-N 3.34Å; E257-L259 PolarHBondContact O-N 3.46Å; L259-V262 PolarHBondContact O-N 3.1Å; L259-K263 HydrophobicContact CD1-CD 4.48Å; L259-K263 HydrophobicContact CD1-CG 4.32Å; L259-K263 HydrophobicContact CG-CD 4.34Å; L259-K263 WeakPolarHBondContact O-CG 3.23Å; L259-K263 PolarHBondContact O-N 3.37Å
260G94.5Very high94.8Very high17 Ų1748.8 Ų48.818%0.17525%0.251CS..Hα-helixtrans-62.4-47176.700000111D254 E257 V262 K263 T264D254-G260 CarbonylContact O-C 3.53Å; D254-G260 VanDerWaalsContact O-CA 3.23Å; D254-G260 WeakPolarHBondContact O-CA 3.44Å; E257-G260 PolarHBondContact O-N 3.23Å; G260-V262 VanDerWaalsContact C-N 3.35Å; G260-V262 PolarHBondContact O-N 3.14Å; G260-K263 PolarHBondContact O-N 3.36Å; G260-T264 WeakPolarHBondContact O-CB 3.29Å; G260-T264 PolarHBondContact O-N 3.3Å; G260-T264 PolarHBondContact O-OG1 3.42Å
261F96Very high94.8Very high36 Ų3652.2 Ų52.216%0.15826%0.257CS..Hα-helixtrans-54-45.3174.2-179.2-92.4000113.7F18 L30 P31 I32 V255 E257 T265F18-F261 HydrophobicContact CE1-CB 4.1Å; F18-F261 HydrophobicContact CE1-CD1 4.17Å; F18-F261 HydrophobicContact CE1-CD2 4.49Å; F18-F261 AromaticContact CE1-CG 3.99Å; F18-F261 HydrophobicContact CE1-CG 3.99Å; F18-F261 HydrophobicContact CZ-CB 3.7Å; F18-F261 HydrophobicContact CZ-CD2 4.38Å; F18-F261 AromaticContact CZ-CG 3.98Å; F18-F261 HydrophobicContact CZ-CG 3.98Å; L30-F261 HydrophobicContact CB-CD2 4.48Å; L30-F261 HydrophobicContact CB-CE2 3.68Å; L30-F261 HydrophobicContact CB-CZ 4.15Å; P31-F261 VanDerWaalsContact O-CZ 3.31Å; P31-F261 WeakPolarHBondContact O-CZ 3.15Å; I32-F261 HydrophobicContact CD1-CD2 3.78Å; I32-F261 HydrophobicContact CD1-CE2 3.63Å; I32-F261 HydrophobicContact CD1-CZ 4.35Å; V255-F261 HydrophobicContact CB-CD2 4.29Å; E257-F261 WeakPolarHBondContact O-CB 3.37Å; E257-F261 PolarHBondContact O-N 2.87Å; F261-T265 WeakPolarHBondContact O-CB 3.34Å; F261-T265 PolarHBondContact O-N 3.04Å; F261-T265 PolarHBondContact O-OG1 3.39Å
262V96.2Very high94.7Very high74 Ų7450.2 Ų50.245%0.44825%0.25SC..Hα-helixtrans-67.4-45.9177.6171.90000111.5K258 L259 G260 T264 T265 I266K258-V262 WeakPolarHBondContact O-CG2 3.38Å; K258-V262 PolarHBondContact O-N 3.26Å; L259-V262 PolarHBondContact O-N 3.1Å; G260-V262 VanDerWaalsContact C-N 3.35Å; G260-V262 PolarHBondContact O-N 3.14Å; V262-T264 PolarHBondContact O-N 3.33Å; V262-T265 PolarHBondContact O-N 2.97Å; V262-I266 HydrophobicContact CG1-CD1 3.89Å; V262-I266 WeakPolarHBondContact O-CG1 3.35Å; V262-I266 PolarHBondContact O-N 2.92Å
263K95.9Very high94.8Very high115 Ų11554.3 Ų54.350%0.528%0.276SS..Hα-helixtrans-57.8-49.6176.9-76-178.4175.8-171.60111L259 G260 T265 I266 E267L259-K263 HydrophobicContact CD1-CD 4.48Å; L259-K263 HydrophobicContact CD1-CG 4.32Å; L259-K263 HydrophobicContact CG-CD 4.34Å; L259-K263 WeakPolarHBondContact O-CG 3.23Å; L259-K263 PolarHBondContact O-N 3.37Å; G260-K263 PolarHBondContact O-N 3.36Å; K263-T265 VanDerWaalsContact C-N 3.35Å; K263-T265 PolarHBondContact O-N 3.44Å; K263-I266 PolarHBondContact O-N 3.21Å; K263-E267 WeakPolarHBondContact O-CG 3.38Å; K263-E267 PolarHBondContact O-N 3.48Å
264T96.5Very high94.8Very high3 Ų358.5 Ų58.52%0.01831%0.306CS..Hα-helixtrans-57.3-47.6176.4-57.40000110.9I32 Y253 V255 G260 V262 I266 E267 Y268I32-T264 HydrophobicContact CD1-CG2 3.93Å; I32-T264 HydrophobicContact CG1-CG2 4.19Å; I32-T264 HydrophobicContact CG2-CG2 4.23Å; Y253-T264 WeakPolarHBondContact CB-OG1 3.35Å; Y253-T264 HydrophobicContact CD1-CG2 4Å; Y253-T264 WeakPolarHBondContact CD1-OG1 3.47Å; Y253-T264 HydrophobicContact CG-CG2 3.89Å; V255-T264 HydrophobicContact CG1-CG2 3.82Å; G260-T264 WeakPolarHBondContact O-CB 3.29Å; G260-T264 PolarHBondContact O-N 3.3Å; G260-T264 PolarHBondContact O-OG1 3.42Å; V262-T264 PolarHBondContact O-N 3.33Å; T264-I266 VanDerWaalsContact C-N 3.31Å; T264-I266 PolarHBondContact O-N 3.04Å; T264-E267 PolarHBondContact O-N 3.25Å; T264-Y268 HydrophobicContact CG2-CD2 3.57Å; T264-Y268 HydrophobicContact CG2-CE2 3.49Å; T264-Y268 VanDerWaalsContact CG2-CE2 3.49Å; T264-Y268 VanDerWaalsContact O-CD2 3.23Å; T264-Y268 WeakPolarHBondContact O-CD2 3.49Å; T264-Y268 PolarHBondContact O-N 3.39Å
265T96.5Very high94.9Very high38 Ų3860 Ų6023%0.23331%0.313CS..Hα-helixtrans-58.2-43178.1-57.20000112.2F261 V262 K263 A269F261-T265 WeakPolarHBondContact O-CB 3.34Å; F261-T265 PolarHBondContact O-N 3.04Å; F261-T265 PolarHBondContact O-OG1 3.39Å; V262-T265 PolarHBondContact O-N 2.97Å; K263-T265 VanDerWaalsContact C-N 3.35Å; K263-T265 PolarHBondContact O-N 3.44Å; T265-A269 VanDerWaalsContact O-CB 3.27Å; T265-A269 WeakPolarHBondContact O-CB 3.48Å; T265-A269 PolarHBondContact O-N 3.14Å
266I95.8Very high95Very high70 Ų7066.3 Ų66.336%0.35934%0.336SS..Hα-helixtrans-65.1-46.1177.6-66.6168.4000110.7V262 K263 T264 A269 L270 I283V262-I266 HydrophobicContact CG1-CD1 3.89Å; V262-I266 WeakPolarHBondContact O-CG1 3.35Å; V262-I266 PolarHBondContact O-N 2.92Å; K263-I266 PolarHBondContact O-N 3.21Å; T264-I266 VanDerWaalsContact C-N 3.31Å; T264-I266 PolarHBondContact O-N 3.04Å; I266-A269 PolarHBondContact O-N 2.92Å; I266-L270 HydrophobicContact CG2-CD1 3.88Å; I266-L270 HydrophobicContact CG2-CG 4.35Å; I266-L270 WeakPolarHBondContact O-CB 3.4Å; I266-L270 VanDerWaalsContact O-CG 3.29Å; I266-L270 WeakPolarHBondContact O-CG 3.4Å; I266-L270 PolarHBondContact O-N 2.56Å; I266-I283 HydrophobicContact CG2-CD1 3.99Å
267E95.6Very high95.3Very high65 Ų6573.2 Ų73.230%0.30437%0.367SS..Hα-helixtrans-62.8-44.2-179.7-75-176.7-145.200112.4Y253 K263 T264 A269 L270 K271Y253-E267 WeakPolarHBondContact CE1-OE2 3.28Å; Y253-E267 PolarHBondContact OH-OE2 3.15Å; K263-E267 WeakPolarHBondContact O-CG 3.38Å; K263-E267 PolarHBondContact O-N 3.48Å; T264-E267 PolarHBondContact O-N 3.25Å; E267-A269 VanDerWaalsContact C-N 3.34Å; E267-A269 PolarHBondContact O-N 2.79Å; E267-L270 PolarHBondContact O-N 2.81Å; E267-K271 WeakPolarHBondContact O-CG 3.46Å; E267-K271 PolarHBondContact O-N 3.21Å
268Y95.9Very high95.5Very high18 Ų1877.2 Ų77.27%0.07139%0.386CS..Hα-helixtrans-63.6-40.4174.6-86.2-99.5000111.7I32 Y40 E136 Y253 T264 L270 K271 D272I32-Y268 HydrophobicContact CG2-CD1 4.04Å; I32-Y268 HydrophobicContact CG2-CD2 3.76Å; I32-Y268 HydrophobicContact CG2-CE2 4.33Å; I32-Y268 HydrophobicContact CG2-CG 3.54Å; Y40-Y268 HydrophobicContact CE1-CD1 4.48Å; Y40-Y268 AromaticContact CE1-CE1 3.57Å; Y40-Y268 HydrophobicContact CE1-CE1 3.57Å; Y40-Y268 AromaticContact CE1-CZ 3.97Å; Y40-Y268 AromaticContact CZ-CE1 3.81Å; E136-Y268 VanDerWaalsContact CG-OH 3.3Å; E136-Y268 WeakPolarHBondContact CG-OH 3.31Å; E136-Y268 WeakPolarHBondContact OE1-CE1 3.32Å; E136-Y268 PolarHBondContact OE1-OH 3.38Å; Y253-Y268 HydrophobicContact CD2-CE2 4.06Å; Y253-Y268 AromaticContact CE2-CE2 3.96Å; Y253-Y268 HydrophobicContact CE2-CE2 3.96Å; T264-Y268 HydrophobicContact CG2-CD2 3.57Å; T264-Y268 HydrophobicContact CG2-CE2 3.49Å; T264-Y268 VanDerWaalsContact CG2-CE2 3.49Å; T264-Y268 VanDerWaalsContact O-CD2 3.23Å; T264-Y268 WeakPolarHBondContact O-CD2 3.49Å; T264-Y268 PolarHBondContact O-N 3.39Å; Y268-L270 VanDerWaalsContact C-N 3.27Å; Y268-L270 PolarHBondContact O-N 3.01Å; Y268-K271 PolarHBondContact O-N 3.09Å; Y268-K271 VanDerWaalsContact O-N 3.15Å; Y268-D272 PolarHBondContact O-N 3.39Å; Y268-D272 VanDerWaalsContact O-N 3.15Å
269A96.4Very high95.6Very high8 Ų873.3 Ų73.37%0.06637%0.371CS..Hα-helixtrans-64.3-32.217500000112.7L33 T265 I266 E267 M275 L279L33-A269 HydrophobicContact CD2-CB 4.01Å; T265-A269 VanDerWaalsContact O-CB 3.27Å; T265-A269 WeakPolarHBondContact O-CB 3.48Å; T265-A269 PolarHBondContact O-N 3.14Å; I266-A269 PolarHBondContact O-N 2.92Å; E267-A269 VanDerWaalsContact C-N 3.34Å; E267-A269 PolarHBondContact O-N 2.79Å; A269-M275 HydrophobicContact CB-SD 4.5Å; A269-M275 WeakPolarHBondContact O-CB 3.25Å; A269-L279 HydrophobicContact CB-CD2 3.36Å
270L95.8Very high95.7Very high54 Ų5470 Ų7028%0.28336%0.355SS..Hα-helixtrans-77.9-20.6174.9-70.7172.5000113.2I266 E267 Y268 R276 L279 T280 I283I266-L270 HydrophobicContact CG2-CD1 3.88Å; I266-L270 HydrophobicContact CG2-CG 4.35Å; I266-L270 WeakPolarHBondContact O-CB 3.4Å; I266-L270 VanDerWaalsContact O-CG 3.29Å; I266-L270 WeakPolarHBondContact O-CG 3.4Å; I266-L270 PolarHBondContact O-N 2.56Å; E267-L270 PolarHBondContact O-N 2.81Å; Y268-L270 VanDerWaalsContact C-N 3.27Å; Y268-L270 PolarHBondContact O-N 3.01Å; L270-R276 WeakPolarHBondContact O-CB 3.47Å; L270-R276 VanDerWaalsContact O-CD 3.28Å; L270-R276 WeakPolarHBondContact O-CD 3.5Å; L270-R276 VanDerWaalsContact O-CG 3.26Å; L270-R276 WeakPolarHBondContact O-CG 3.33Å; L270-L279 HydrophobicContact CD2-CB 4.33Å; L270-L279 HydrophobicContact CD2-CD2 3.92Å; L270-L279 HydrophobicContact CD2-CG 4.04Å; L270-L279 HydrophobicContact CG-CD2 3.98Å; L270-T280 WeakPolarHBondContact CD2-OG1 3.33Å; L270-I283 HydrophobicContact CD1-CD1 4.5Å; L270-I283 HydrophobicContact CD2-CD1 4.5Å
271K94.7Very high95.7Very high101 Ų10177.1 Ų77.144%0.43938%0.377SS..Hα-helixtrans-80.1-20.1171.5-73.1171.2176173.50112.4E136 E251 Y253 E267 Y268E136-K271 IonicContact OE2-NZ 2.79Å; E136-K271 PolarHBondContact OE2-NZ 3.02Å; E251-K271 IonicContact OE2-NZ 2.72Å; Y253-K271 PolarHBondContact OH-NZ 2.89Å; E267-K271 WeakPolarHBondContact O-CG 3.46Å; E267-K271 PolarHBondContact O-N 3.21Å; Y268-K271 PolarHBondContact O-N 3.09Å; Y268-K271 VanDerWaalsContact O-N 3.15Å
272D94.2Very high95.7Very high59 Ų5981.3 Ų81.332%0.31640%0.395SS..SBendtrans-83.5117.2177.3-171.7-56.5000111.6Y268 S274 M275 R276Y268-D272 PolarHBondContact O-N 3.39Å; Y268-D272 VanDerWaalsContact O-N 3.15Å; D272-S274 PolarHBondContact O-N 3.3Å; D272-S274 WeakPolarHBondContact OD1-CA 3.47Å; D272-S274 VanDerWaalsContact OD1-CB 3.25Å; D272-S274 WeakPolarHBondContact OD1-CB 3.43Å; D272-S274 PolarHBondContact OD1-N 2.88Å; D272-S274 PolarHBondContact OD1-OG 3.25Å; D272-M275 HydrophobicContact CB-CB 4.43Å; D272-M275 HydrophobicContact CB-CE 3.53Å; D272-M275 VanDerWaalsContact CG-CE 3.44Å; D272-M275 PolarHBondContact O-N 3.06Å; D272-M275 WeakPolarHBondContact OD2-CE 3.24Å; D272-R276 WeakPolarHBondContact O-CB 3.26Å; D272-R276 PolarHBondContact O-N 3.45Å
273D94.7Very high95.7Very high138 Ų13880.2 Ų80.274%0.73839%0.386SS*.THydrogen-bonded Turntrans-59.4-28-177.7-73-28.6000113.5M275D273-M275 VanDerWaalsContact C-N 3.33Å
274S94.5Very high95.6Very high97 Ų9782.3 Ų82.368%0.67840%0.395SS*.THydrogen-bonded Turntrans-75.2-22.817976.90000113.1D272D272-S274 PolarHBondContact O-N 3.3Å; D272-S274 WeakPolarHBondContact OD1-CA 3.47Å; D272-S274 VanDerWaalsContact OD1-CB 3.25Å; D272-S274 WeakPolarHBondContact OD1-CB 3.43Å; D272-S274 PolarHBondContact OD1-N 2.88Å; D272-S274 PolarHBondContact OD1-OG 3.25Å
275M94.8Very high95.6Very high63 Ų6386.1 Ų86.131%0.3143%0.428SS..THydrogen-bonded Turntrans-109.3-29.6-176.8-71-176.2-79.200113.3L33 A269 D272 D273 E277 E278 L279L33-M275 HydrophobicContact CD1-CE 3.68Å; L33-M275 HydrophobicContact CD2-CE 3.81Å; L33-M275 HydrophobicContact CD2-SD 4.23Å; L33-M275 HydrophobicContact CG-CE 4.32Å; A269-M275 HydrophobicContact CB-SD 4.5Å; A269-M275 WeakPolarHBondContact O-CB 3.25Å; D272-M275 HydrophobicContact CB-CB 4.43Å; D272-M275 HydrophobicContact CB-CE 3.53Å; D272-M275 VanDerWaalsContact CG-CE 3.44Å; D272-M275 PolarHBondContact O-N 3.06Å; D272-M275 WeakPolarHBondContact OD2-CE 3.24Å; D273-M275 VanDerWaalsContact C-N 3.33Å; M275-E277 PolarHBondContact O-N 2.86Å; M275-E278 PolarHBondContact O-N 2.93Å; M275-L279 VanDerWaalsContact O-CB 3.24Å; M275-L279 WeakPolarHBondContact O-CB 3.41Å; M275-L279 PolarHBondContact O-N 3.24Å
276R96Very high95.5Very high140 Ų14089 Ų8953%0.52844%0.441SS..Hα-helixtrans-50.4-51.5-169-179.7-179.8-178.7-179.42.5113.9L270 D272 T280L270-R276 WeakPolarHBondContact O-CB 3.47Å; L270-R276 VanDerWaalsContact O-CD 3.28Å; L270-R276 WeakPolarHBondContact O-CD 3.5Å; L270-R276 VanDerWaalsContact O-CG 3.26Å; L270-R276 WeakPolarHBondContact O-CG 3.33Å; D272-R276 WeakPolarHBondContact O-CB 3.26Å; D272-R276 PolarHBondContact O-N 3.45Å; R276-T280 WeakPolarHBondContact O-CB 3.39Å; R276-T280 PolarHBondContact O-N 3.03Å; R276-T280 PolarHBondContact O-OG1 3.35Å
277E96.6Very high95.1Very high149 Ų14989 Ų8970%0.69646%0.458SS*.Hα-helixtrans-67.6-44.1-174.4-67.2-168.7168.300112.7M275 R281M275-E277 PolarHBondContact O-N 2.86Å; E277-R281 WeakPolarHBondContact O-CG 3.28Å; E277-R281 PolarHBondContact O-N 2.68Å; E277-R281 VanDerWaalsContact O-N 3.16Å; E277-R281 PolarHBondContact O-NE 2.89Å
278E96.3Very high94.4Very high138 Ų13895.5 Ų95.565%0.64549%0.494SS*.Hα-helixtrans-68.8-45.8178.7-172.4172166.200111.2M275 T280 R281 F282M275-E278 PolarHBondContact O-N 2.93Å; E278-T280 PolarHBondContact O-N 3.16Å; E278-R281 PolarHBondContact O-N 3.44Å; E278-F282 PolarHBondContact O-N 3.07Å
279L96Very high94.3Very high40 Ų4099.4 Ų99.421%0.20952%0.515CS..Hα-helixtrans-63.1-41.3177.8-178.559.6000111.9A269 L270 M275 R281 F282 I283A269-L279 HydrophobicContact CB-CD2 3.36Å; L270-L279 HydrophobicContact CD2-CB 4.33Å; L270-L279 HydrophobicContact CD2-CD2 3.92Å; L270-L279 HydrophobicContact CD2-CG 4.04Å; L270-L279 HydrophobicContact CG-CD2 3.98Å; M275-L279 VanDerWaalsContact O-CB 3.24Å; M275-L279 WeakPolarHBondContact O-CB 3.41Å; M275-L279 PolarHBondContact O-N 3.24Å; L279-R281 VanDerWaalsContact C-N 3.34Å; L279-R281 PolarHBondContact O-N 3.44Å; L279-F282 HydrophobicContact CD1-CD1 4.21Å; L279-F282 WeakPolarHBondContact O-CB 3.2Å; L279-F282 PolarHBondContact O-N 2.9Å; L279-I283 HydrophobicContact CD1-CD1 4.03Å; L279-I283 HydrophobicContact CD1-CG1 4.13Å; L279-I283 HydrophobicContact CG-CD1 3.87Å; L279-I283 HydrophobicContact CG-CG1 4.4Å; L279-I283 WeakPolarHBondContact O-CG1 3.32Å; L279-I283 PolarHBondContact O-N 3.27Å
280T95.7Very high94.2Very high46 Ų46104.2 Ų104.228%0.28254%0.538SS..Hα-helixtrans-61.8-43.1176.5-61.80000111.3L270 R276 E278 F282 K284L270-T280 WeakPolarHBondContact CD2-OG1 3.33Å; R276-T280 WeakPolarHBondContact O-CB 3.39Å; R276-T280 PolarHBondContact O-N 3.03Å; R276-T280 PolarHBondContact O-OG1 3.35Å; E278-T280 PolarHBondContact O-N 3.16Å; T280-F282 VanDerWaalsContact C-N 3.34Å; T280-K284 HydrophobicContact CG2-CD 4.28Å; T280-K284 WeakPolarHBondContact O-CG 3.41Å; T280-K284 PolarHBondContact O-N 3.42Å; T280-K284 VanDerWaalsContact O-N 3.1Å
281R96.2Very high94.1Very high168 Ų168106.9 Ų106.963%0.63455%0.553SS**Hα-helixtrans-62.3-42.8175.5-75.6-175.8-67.9161.10.5111.3E277 E278 L279 A285E277-R281 WeakPolarHBondContact O-CG 3.28Å; E277-R281 PolarHBondContact O-N 2.68Å; E277-R281 VanDerWaalsContact O-N 3.16Å; E277-R281 PolarHBondContact O-NE 2.89Å; E278-R281 PolarHBondContact O-N 3.44Å; L279-R281 VanDerWaalsContact C-N 3.34Å; L279-R281 PolarHBondContact O-N 3.44Å; R281-A285 WeakPolarHBondContact O-CB 3.46Å; R281-A285 PolarHBondContact O-N 3.11Å; R281-A285 VanDerWaalsContact O-N 3.07Å
282F96.1Very high94.1Very high123 Ų123107.3 Ų107.354%0.53956%0.559SS.*Hα-helixtrans-60.8-50.5176.6173-101000112.3E278 L279 T280 K284 A285 L286E278-F282 PolarHBondContact O-N 3.07Å; L279-F282 HydrophobicContact CD1-CD1 4.21Å; L279-F282 WeakPolarHBondContact O-CB 3.2Å; L279-F282 PolarHBondContact O-N 2.9Å; T280-F282 VanDerWaalsContact C-N 3.34Å; F282-K284 VanDerWaalsContact C-N 3.33Å; F282-K284 PolarHBondContact O-N 3.37Å; F282-A285 WeakPolarHBondContact O-CB 3.36Å; F282-A285 PolarHBondContact O-N 2.88Å; F282-L286 HydrophobicContact CE1-CD1 4.02Å; F282-L286 HydrophobicContact CE1-CD2 4.41Å; F282-L286 HydrophobicContact CE1-CG 4.38Å; F282-L286 HydrophobicContact CE2-CD2 4.37Å; F282-L286 HydrophobicContact CZ-CD1 4.41Å; F282-L286 HydrophobicContact CZ-CD2 4Å; F282-L286 HydrophobicContact CZ-CG 4.44Å; F282-L286 PolarHBondContact O-N 3.35Å
283I94.5Very high94.1Very high52 Ų52110.3 Ų110.327%0.26757%0.574SS.*Hα-helixtrans-60.3-43.5-179.5-68.2169.3000110.8I266 L270 L279 A285 L286I266-I283 HydrophobicContact CG2-CD1 3.99Å; L270-I283 HydrophobicContact CD1-CD1 4.5Å; L270-I283 HydrophobicContact CD2-CD1 4.5Å; L279-I283 HydrophobicContact CD1-CD1 4.03Å; L279-I283 HydrophobicContact CD1-CG1 4.13Å; L279-I283 HydrophobicContact CG-CD1 3.87Å; L279-I283 HydrophobicContact CG-CG1 4.4Å; L279-I283 WeakPolarHBondContact O-CG1 3.32Å; L279-I283 PolarHBondContact O-N 3.27Å; I283-A285 VanDerWaalsContact C-N 3.27Å; I283-A285 PolarHBondContact O-N 3.2Å; I283-L286 WeakPolarHBondContact O-CB 3.37Å; I283-L286 PolarHBondContact O-N 3.37Å; I283-L286 VanDerWaalsContact O-N 3.14Å
284K94.8Very high94Very high158 Ų158108.5 Ų108.569%0.68756%0.564SS**Hα-helixtrans-61.7-35.3175.3-73177.2178.8179.40112.5T280 F282 L286 G287T280-K284 HydrophobicContact CG2-CD 4.28Å; T280-K284 WeakPolarHBondContact O-CG 3.41Å; T280-K284 PolarHBondContact O-N 3.42Å; T280-K284 VanDerWaalsContact O-N 3.1Å; F282-K284 VanDerWaalsContact C-N 3.33Å; F282-K284 PolarHBondContact O-N 3.37Å; K284-L286 PolarHBondContact O-N 3.22Å; K284-G287 PolarHBondContact O-N 3.45Å
285A95.8Very high94Very high84 Ų84109.3 Ų109.369%0.69456%0.555SS**Hα-helixtrans-70.9-15.3178.100000113.6R281 F282 I283 G287R281-A285 WeakPolarHBondContact O-CB 3.46Å; R281-A285 PolarHBondContact O-N 3.11Å; R281-A285 VanDerWaalsContact O-N 3.07Å; F282-A285 WeakPolarHBondContact O-CB 3.36Å; F282-A285 PolarHBondContact O-N 2.88Å; I283-A285 VanDerWaalsContact C-N 3.27Å; I283-A285 PolarHBondContact O-N 3.2Å; A285-G287 PolarHBondContact O-N 3.23Å
286L94.5Very high93.9Very high99 Ų99112.8 Ų112.852%0.51857%0.574SS.*THydrogen-bonded Turntrans-70.3-10.4173.7-63.7176.6000113.3F282 I283 K284 L288F282-L286 HydrophobicContact CE1-CD1 4.02Å; F282-L286 HydrophobicContact CE1-CD2 4.41Å; F282-L286 HydrophobicContact CE1-CG 4.38Å; F282-L286 HydrophobicContact CE2-CD2 4.37Å; F282-L286 HydrophobicContact CZ-CD1 4.41Å; F282-L286 HydrophobicContact CZ-CD2 4Å; F282-L286 HydrophobicContact CZ-CG 4.44Å; F282-L286 PolarHBondContact O-N 3.35Å; I283-L286 WeakPolarHBondContact O-CB 3.37Å; I283-L286 PolarHBondContact O-N 3.37Å; I283-L286 VanDerWaalsContact O-N 3.14Å; K284-L286 PolarHBondContact O-N 3.22Å; L286-L288 VanDerWaalsContact C-N 3.28Å; L286-L288 HydrophobicContact CB-CD1 4.21Å; L286-L288 HydrophobicContact CB-CG 4.08Å; L286-L288 HydrophobicContact CD1-CD1 4.21Å; L286-L288 PolarHBondContact O-N 3.17Å
287G87.7Confident93.8Very high69 Ų69110.6 Ų110.671%0.71158%0.578SS**THydrogen-bonded Turntrans68.925.8179.400000114K284 A285K284-G287 PolarHBondContact O-N 3.45Å; A285-G287 PolarHBondContact O-N 3.23Å
288L81Confident93.5Very high201 Ų201107.1 Ų107.1100%1.05257%0.567SS**  trans-77.80172.5-63.5172.8000111.8L286L286-L288 VanDerWaalsContact C-N 3.28Å; L286-L288 HydrophobicContact CB-CD1 4.21Å; L286-L288 HydrophobicContact CB-CG 4.08Å; L286-L288 HydrophobicContact CD1-CD1 4.21Å; L286-L288 PolarHBondContact O-N 3.17Å

Retrieved 288 of 288 residues in 478.5 ms (Link to these results)

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