A0A024R573_HUMAN Loading...

Isoaspartyl peptidase/L-asparaginase

Has both L-asparaginase and beta-aspartyl peptidase activity. May be involved in the production of L-aspartate, which can act as an excitatory neurotransmitter in some brain regions. Is highly active with L-Asp beta-methyl ester. Besides, has catalytic activity toward beta-aspartyl dipeptides and their methyl esters, including beta-L-Asp-L-Phe, beta-L-Asp-L-Phe methyl ester (aspartame), beta-L-Asp-L-Ala, beta-L-Asp-L-Leu and beta-L-Asp-L-Lys. Does not have aspartylglucosaminidase activity and is inactive toward GlcNAc-L-Asn. Likewise, has no activity toward glutamine.

AlphaFold DB (Q7L266), UniProt , Accession A0A024R573, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 308 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
1M82.9Confident92.2Very high112 Ų11220.8 Ų20.855%0.55211%0.112SC*.  0149.90-163173.4-85.300107.9L174 C176 G178 K270M1-L174 HydrophobicContact CG-CD2 4.12Å; M1-L174 HydrophobicContact SD-CD1 3.57Å; M1-L174 VanDerWaalsContact SD-CD1 3.57Å; M1-L174 HydrophobicContact SD-CD2 3.44Å; M1-L174 WeakPolarHBondContact SD-CD2 3.33Å; M1-L174 HydrophobicContact SD-CG 3.62Å; M1-C176 PolarHBondContact N-O 3.31Å; M1-G178 VanDerWaalsContact SD-CA 3.54Å; M1-K270 WeakPolarHBondContact CE-O 3.46Å
2N91.9Very high89.6Confident94 Ų9419.4 Ų19.450%0.50311%0.105SC..  trans-80121.2176-70.96.4000108.6D290N2-D290 WeakPolarHBondContact CB-OD1 3.42Å; N2-D290 PolarHBondContact ND2-OD1 3.05Å
3P97.2Very high87.8Confident16 Ų1618.2 Ų18.210%0.10410%0.1CC..  trans-67.6152.9-178.627.9-33.6000110.9Y35 L38 L174P3-Y35 HydrophobicContact CG-CE2 4.27Å; P3-Y35 WeakPolarHBondContact O-CE2 3.4Å; P3-L38 HydrophobicContact CB-CB 3.7Å; P3-L38 HydrophobicContact CB-CD1 3.96Å; P3-L38 HydrophobicContact CB-CG 4.32Å; P3-L38 HydrophobicContact CG-CB 4.33Å; P3-L174 WeakPolarHBondContact CA-O 3.49Å
4I98.6Very high86.6Confident0 Ų023.7 Ų23.70%014%0.137CC..EExtended strand (participates in β ladder)trans-146.2145173.3174.1170.2000109.6V6 L38 A173 L174 V268 W274 A288 K289I4-V6 HydrophobicContact CD1-CG2 3.83Å; I4-V6 HydrophobicContact CG1-CG2 4.05Å; I4-L38 WeakPolarHBondContact O-CD1 3.5Å; I4-A173 CarbonylContact O-C 3.6Å; I4-A173 VanDerWaalsContact O-CA 3.23Å; I4-A173 WeakPolarHBondContact O-CA 3.41Å; I4-L174 HydrophobicContact CG2-CB 3.73Å; I4-L174 HydrophobicContact CG2-CD2 4.24Å; I4-L174 PolarHBondContact N-O 2.77Å; I4-L174 PolarHBondContact O-N 2.95Å; I4-V268 HydrophobicContact CG2-CG2 3.6Å; I4-W274 HydrophobicContact CD1-CB 3.65Å; I4-W274 HydrophobicContact CD1-CD2 4.04Å; I4-W274 HydrophobicContact CD1-CG 3.27Å; I4-A288 WeakPolarHBondContact CA-O 3.42Å; I4-K289 HydrophobicContact CB-CB 4.24Å; I4-K289 HydrophobicContact CB-CD 4.48Å; I4-K289 HydrophobicContact CB-CG 4.15Å; I4-K289 HydrophobicContact CD1-CB 4.15Å; I4-K289 HydrophobicContact CD1-CD 4.14Å; I4-K289 HydrophobicContact CD1-CG 4.43Å; I4-K289 HydrophobicContact CG1-CB 4.15Å
5V98.7Very high86.4Confident0 Ų022.9 Ų22.90%013%0.132CC..EExtended strand (participates in β ladder)trans-125140.816264.50000109.3V7 A31 Y35 L38 V172 A173 A287 A288V5-V7 HydrophobicContact CG2-CG1 4.1Å; V5-A31 WeakPolarHBondContact CG1-O 3.33Å; V5-Y35 HydrophobicContact CG1-CD2 4.39Å; V5-L38 HydrophobicContact CB-CD1 4.15Å; V5-V172 WeakPolarHBondContact CA-O 3.43Å; V5-A173 HydrophobicContact CB-CB 4.43Å; V5-A173 HydrophobicContact CG2-CB 4.38Å; V5-A287 CarbonylContact O-C 3.5Å; V5-A287 WeakPolarHBondContact O-CA 3.38Å; V5-A288 HydrophobicContact CG1-CB 3.88Å; V5-A288 PolarHBondContact N-O 2.62Å; V5-A288 VanDerWaalsContact N-O 3.16Å; V5-A288 PolarHBondContact O-N 3.49Å
6V98.8Very high86.3Confident0 Ų024.6 Ų24.60%015%0.146CC..EExtended strand (participates in β ladder)trans-124.2139.9169.4-169.10000107.4I4 A171 V172 I266 W274 A286 A287I4-V6 HydrophobicContact CD1-CG2 3.83Å; I4-V6 HydrophobicContact CG1-CG2 4.05Å; V6-A171 CarbonylContact O-C 3.5Å; V6-A171 VanDerWaalsContact O-CA 3.25Å; V6-A171 WeakPolarHBondContact O-CA 3.28Å; V6-V172 HydrophobicContact CB-CG2 3.8Å; V6-V172 HydrophobicContact CG2-CG2 4.28Å; V6-V172 PolarHBondContact N-O 3.22Å; V6-V172 PolarHBondContact O-N 3.21Å; V6-I266 HydrophobicContact CB-CB 4.37Å; V6-I266 HydrophobicContact CB-CD1 4.43Å; V6-I266 HydrophobicContact CG1-CB 3.8Å; V6-I266 HydrophobicContact CG1-CD1 4.37Å; V6-I266 HydrophobicContact CG1-CG2 3.76Å; V6-I266 VanDerWaalsContact O-CD1 3.3Å; V6-I266 WeakPolarHBondContact O-CD1 3.22Å; V6-W274 HydrophobicContact CG1-CE3 4.26Å; V6-W274 HydrophobicContact CG2-CB 3.91Å; V6-W274 HydrophobicContact CG2-CD2 4.14Å; V6-W274 HydrophobicContact CG2-CE3 4.03Å; V6-W274 HydrophobicContact CG2-CG 4.11Å; V6-A286 CarbonylContact C-O 3.58Å; V6-A286 WeakPolarHBondContact CA-O 3.47Å; V6-A287 HydrophobicContact CB-CB 4.44Å; V6-A287 HydrophobicContact CG1-CB 4.15Å; V6-A287 HydrophobicContact CG2-CB 3.99Å
7V98.8Very high86.1Confident0 Ų034.6 Ų34.60%019%0.187CC..EExtended strand (participates in β ladder)trans-131.6152.2-179.9-56.60000110.9V5 M27 A30 A31 A51 G170 A171 W285 A286V5-V7 HydrophobicContact CG2-CG1 4.1Å; V7-M27 HydrophobicContact CG2-SD 4.26Å; V7-A30 HydrophobicContact CG1-CB 4.48Å; V7-A30 HydrophobicContact CG2-CB 4.4Å; V7-A31 HydrophobicContact CG2-CB 4.08Å; V7-A51 HydrophobicContact CG1-CB 3.87Å; V7-G170 CarbonylContact C-O 3.46Å; V7-G170 VanDerWaalsContact CA-O 3.26Å; V7-G170 WeakPolarHBondContact CA-O 3.37Å; V7-A171 HydrophobicContact CG1-CB 3.96Å; V7-W285 WeakPolarHBondContact O-CA 3.41Å; V7-W285 WeakPolarHBondContact O-CB 3.34Å; V7-A286 HydrophobicContact CG2-CB 3.83Å; V7-A286 PolarHBondContact N-O 2.9Å; V7-A286 PolarHBondContact O-N 3.17Å
8H97.9Very high86.1Confident0 Ų038.2 Ų38.20%021%0.206CC..EExtended strand (participates in β ladder)trans-131.1145.5166.767.169.9000112.1T168 V169 G170 S217 I266 M283 P284H8-T168 PolarHBondContact CE1-O 2.89Å; H8-T168 PolarHBondContact ND1-O 3.15Å; H8-V169 VanDerWaalsContact CE1-C 3.49Å; H8-V169 WeakPolarHBondContact O-CA 3.44Å; H8-G170 PolarHBondContact CE1-N 2.83Å; H8-G170 VanDerWaalsContact CE1-N 3.3Å; H8-G170 PolarHBondContact N-O 3.08Å; H8-G170 PolarHBondContact ND1-N 2.71Å; H8-G170 PolarHBondContact O-N 2.94Å; H8-G170 VanDerWaalsContact O-N 3.07Å; H8-S217 PolarHBondContact NE2-OG 3.42Å; H8-I266 HydrophobicContact CB-CG2 3.99Å; H8-M283 HydrophobicContact CB-CG 4.41Å; H8-M283 HydrophobicContact CB-SD 4.37Å; H8-P284 CarbonylContact C-O 3.52Å; H8-P284 VanDerWaalsContact CA-O 3.28Å; H8-P284 WeakPolarHBondContact CA-O 3.28Å
9G95.7Very high86.2Confident0 Ų037.4 Ų37.40%020%0.2CC..  trans-96.77.3175.500000114.2M27 L166 P284G9-M27 PolarHBondContact N-SD 2.91Å; G9-L166 WeakPolarHBondContact O-CD2 3.32Å; G9-P284 PolarHBondContact N-O 3.42Å
10G85.6Confident86.5Confident0 Ų038.6 Ų38.60%020%0.203CC..  trans103.5130.6174.400000114.6A12 T168 T219 P284G10-A12 PolarHBondContact O-N 3.37Å; G10-T168 WeakPolarHBondContact CA-O 3.43Å; G10-T168 PolarHBondContact N-O 3.44Å; G10-T219 VanDerWaalsContact CA-OG1 3.26Å; G10-T219 WeakPolarHBondContact CA-OG1 3.26Å; G10-P284 VanDerWaalsContact O-CD 3.23Å; G10-P284 WeakPolarHBondContact O-CD 3.49Å
11G67.7Low86.7Confident7 Ų741.9 Ų41.97%0.07222%0.217CC..  trans-68.4122.9173.700000110.4T219G11-T219 PolarHBondContact N-OG1 3.45Å
12A61Low87.2Confident4 Ų441.3 Ų41.33%0.03321%0.209CC..BIsolated β-bridgetrans-140.5167.9-165.500000111.8G10 N165 T281 S282G10-A12 PolarHBondContact O-N 3.37Å; A12-N165 WeakPolarHBondContact CA-O 3.36Å; A12-N165 WeakPolarHBondContact CB-O 3.42Å; A12-T281 PolarHBondContact O-N 3.16Å; A12-S282 PolarHBondContact N-O 3.01Å; A12-S282 PolarHBondContact O-N 3.4Å; A12-S282 VanDerWaalsContact O-N 3.11Å; A12-S282 VanDerWaalsContact O-O 3.08Å
13G67Low87.3Confident3 Ų336.8 Ų36.83%0.03119%0.185CC..SBendtrans-74.7-166.315600000112.1I15 Q163G13-I15 PolarHBondContact O-N 3.06Å; G13-Q163 VanDerWaalsContact CA-O 3.22Å; G13-Q163 WeakPolarHBondContact CA-O 3.37Å
14P71.1Confident87.1Confident96 Ų9637.8 Ų37.862%0.62319%0.188SC*.PPolyproline II helixtrans-62.9130.5-165.523.9-33.4000112.8
15I83.4Confident86.9Confident11 Ų1142.1 Ų42.16%0.05621%0.208CC..PPolyproline II helixtrans-88.1126.7171.3-58.1178.8000108.4G13 R19 K20 V23 L166 P284 I297G13-I15 PolarHBondContact O-N 3.06Å; I15-R19 HydrophobicContact CG2-CB 3.79Å; I15-K20 HydrophobicContact CB-CG 4.24Å; I15-K20 HydrophobicContact CG2-CG 3.88Å; I15-K20 WeakPolarHBondContact O-CE 3.21Å; I15-V23 HydrophobicContact CD1-CG1 4.29Å; I15-V23 HydrophobicContact CG2-CG2 4.39Å; I15-L166 HydrophobicContact CD1-CD2 3.84Å; I15-L166 HydrophobicContact CD1-CG 4.29Å; I15-P284 HydrophobicContact CD1-CG 3.5Å; I15-I297 HydrophobicContact CD1-CD1 4.31Å; I15-I297 HydrophobicContact CD1-CG2 3.9Å
16S84Confident86.8Confident51 Ų5142.1 Ų42.136%0.35721%0.208SC..PPolyproline II helixtrans-63.2147.6178.763.10000111.4D18 R19 K20S16-D18 WeakPolarHBondContact CB-OD1 3.3Å; S16-D18 PolarHBondContact O-N 3.35Å; S16-D18 PolarHBondContact OG-OD1 3.05Å; S16-R19 WeakPolarHBondContact O-CB 3.28Å; S16-R19 PolarHBondContact O-N 3.39Å; S16-R19 VanDerWaalsContact OG-CD 3.32Å; S16-R19 WeakPolarHBondContact OG-CD 3.28Å; S16-R19 VanDerWaalsContact OG-CG 3.23Å; S16-R19 WeakPolarHBondContact OG-CG 3.49Å; S16-K20 PolarHBondContact O-N 2.9Å; S16-K20 VanDerWaalsContact O-N 3.1Å
17K84.2Confident86.7Confident194 Ų19442.2 Ų42.284%0.84321%0.209SC*.Hα-helixtrans-55.8-38.7-174.3-171.6179.3179.9-179.50113R19 K20K17-R19 PolarHBondContact O-N 3.2Å; K17-K20 PolarHBondContact O-N 3.21Å
18D85.2Confident86.6Confident99 Ų9944 Ų4453%0.52922%0.22SC..Hα-helixtrans-66.7-23.5177.867.3-64000113.4S16 R22S16-D18 WeakPolarHBondContact CB-OD1 3.3Å; S16-D18 PolarHBondContact O-N 3.35Å; S16-D18 PolarHBondContact OG-OD1 3.05Å; D18-R22 PolarHBondContact O-NH1 2.89Å; D18-R22 IonicContact OD2-NH2 3.44Å
19R89.1Confident86.6Confident24 Ų2449.9 Ų49.99%0.09124%0.242CC..Hα-helixtrans-92.6-28.6-180-67.7-176.467.1-122.7-17.1112.8I15 S16 K17 E21 R22 V23 E60I15-R19 HydrophobicContact CG2-CB 3.79Å; S16-R19 WeakPolarHBondContact O-CB 3.28Å; S16-R19 PolarHBondContact O-N 3.39Å; S16-R19 VanDerWaalsContact OG-CD 3.32Å; S16-R19 WeakPolarHBondContact OG-CD 3.28Å; S16-R19 VanDerWaalsContact OG-CG 3.23Å; S16-R19 WeakPolarHBondContact OG-CG 3.49Å; K17-R19 PolarHBondContact O-N 3.2Å; R19-E21 PolarHBondContact O-N 3.32Å; R19-R22 PolarHBondContact O-N 2.91Å; R19-R22 VanDerWaalsContact O-N 3.09Å; R19-V23 WeakPolarHBondContact O-CG2 3.48Å; R19-V23 PolarHBondContact O-N 3.3Å; R19-E60 IonicContact CZ-OE2 3.83Å; R19-E60 VanDerWaalsContact CZ-OE2 3.3Å; R19-E60 IonicContact NE-OE2 3.63Å; R19-E60 PolarHBondContact NE-OE2 2.95Å; R19-E60 PolarHBondContact NH2-O 2.87Å; R19-E60 IonicContact NH2-OE2 2.89Å; R19-E60 PolarHBondContact NH2-OE2 3.06Å
20K90.5Very high86.8Confident60 Ų6049.9 Ų49.926%0.26124%0.242SC..Hα-helixtrans-51.4-43.8-178.4-74.7-170.4173.5-169.40112.2I15 S16 K17 V23 H24 I297 D298I15-K20 HydrophobicContact CB-CG 4.24Å; I15-K20 HydrophobicContact CG2-CG 3.88Å; I15-K20 WeakPolarHBondContact O-CE 3.21Å; S16-K20 PolarHBondContact O-N 2.9Å; S16-K20 VanDerWaalsContact O-N 3.1Å; K17-K20 PolarHBondContact O-N 3.21Å; K20-V23 PolarHBondContact O-N 3.4Å; K20-H24 WeakPolarHBondContact O-CB 3.4Å; K20-H24 PolarHBondContact O-CD2 3.29Å; K20-H24 PolarHBondContact O-N 3.38Å; K20-I297 HydrophobicContact CB-CD1 4.1Å; K20-I297 HydrophobicContact CG-CD1 4.05Å; K20-D298 IonicContact NZ-OD2 2.62Å; K20-D298 PolarHBondContact NZ-OD2 3.09Å
21E92.2Very high87.4Confident108 Ų10849.9 Ų49.951%0.50524%0.242SC..Hα-helixtrans-62-47.5178.3-178.155-14800112.7R19 V23 H24 Q25R19-E21 PolarHBondContact O-N 3.32Å; E21-V23 VanDerWaalsContact C-N 3.33Å; E21-V23 PolarHBondContact O-N 2.85Å; E21-H24 WeakPolarHBondContact O-CB 3.41Å; E21-H24 PolarHBondContact O-N 3.07Å; E21-Q25 WeakPolarHBondContact O-CG 3.44Å; E21-Q25 PolarHBondContact O-N 2.82Å; E21-Q25 PolarHBondContact OE1-NE2 3.45Å
22R93.4Very high88.8Confident100 Ų10051.4 Ų51.438%0.37725%0.25SC..Hα-helixtrans-65.7-38.1178.2-65.3-168.5-65.1-73.80.1111.9D18 R19 Q25 G26 E60D18-R22 PolarHBondContact O-NH1 2.89Å; D18-R22 IonicContact OD2-NH2 3.44Å; R19-R22 PolarHBondContact O-N 2.91Å; R19-R22 VanDerWaalsContact O-N 3.09Å; R22-Q25 PolarHBondContact O-N 3.47Å; R22-G26 PolarHBondContact O-N 2.85Å; R22-E60 HydrophobicContact CB-CG 3.86Å; R22-E60 IonicContact CZ-OE1 2.96Å; R22-E60 IonicContact NE-OE1 2.78Å; R22-E60 PolarHBondContact NE-OE1 2.79Å; R22-E60 IonicContact NH2-OE1 3.61Å; R22-E60 PolarHBondContact NH2-OE1 2.88Å
23V93.9Very high90.6Very high0 Ų054.1 Ų54.10%027%0.265CS..Hα-helixtrans-64.9-42.3175.3170.80000111.2I15 R19 K20 E21 G26 M27 E60 F61 L166 P284 I297I15-V23 HydrophobicContact CD1-CG1 4.29Å; I15-V23 HydrophobicContact CG2-CG2 4.39Å; R19-V23 WeakPolarHBondContact O-CG2 3.48Å; R19-V23 PolarHBondContact O-N 3.3Å; K20-V23 PolarHBondContact O-N 3.4Å; E21-V23 VanDerWaalsContact C-N 3.33Å; E21-V23 PolarHBondContact O-N 2.85Å; V23-G26 PolarHBondContact O-N 3.16Å; V23-M27 WeakPolarHBondContact O-CG 3.33Å; V23-M27 PolarHBondContact O-N 3.22Å; V23-E60 HydrophobicContact CG2-CB 4.41Å; V23-F61 HydrophobicContact CG1-CE1 4.09Å; V23-F61 HydrophobicContact CG1-CZ 4.32Å; V23-L166 HydrophobicContact CG1-CD2 4.41Å; V23-L166 HydrophobicContact CG2-CD1 4.16Å; V23-P284 HydrophobicContact CG1-CB 3.5Å; V23-P284 HydrophobicContact CG1-CG 3.39Å; V23-I297 HydrophobicContact CB-CD1 4.2Å; V23-I297 HydrophobicContact CG1-CD1 3.82Å; V23-I297 HydrophobicContact CG1-CG1 4.4Å
24H93.1Very high92.1Very high36 Ų3654 Ų5417%0.16726%0.264CS..Hα-helixtrans-57.6-50.4172.4-76.8-173.9000110.9K20 E21 G26 M27 V28 I297K20-H24 WeakPolarHBondContact O-CB 3.4Å; K20-H24 PolarHBondContact O-CD2 3.29Å; K20-H24 PolarHBondContact O-N 3.38Å; E21-H24 WeakPolarHBondContact O-CB 3.41Å; E21-H24 PolarHBondContact O-N 3.07Å; H24-G26 VanDerWaalsContact C-N 3.28Å; H24-G26 PolarHBondContact O-N 3.39Å; H24-M27 PolarHBondContact O-N 3.21Å; H24-M27 VanDerWaalsContact O-N 3.13Å; H24-V28 WeakPolarHBondContact O-CB 3.48Å; H24-V28 VanDerWaalsContact O-CG2 3.26Å; H24-V28 WeakPolarHBondContact O-CG2 3.47Å; H24-V28 PolarHBondContact O-N 3.04Å; H24-I297 WeakPolarHBondContact CD2-CD1 3.38Å; H24-I297 VanDerWaalsContact CD2-CG1 3.46Å; H24-I297 WeakPolarHBondContact CD2-CG1 3.23Å; H24-I297 WeakPolarHBondContact NE2-CD1 3.34Å; H24-I297 VanDerWaalsContact NE2-CG1 3.31Å; H24-I297 WeakPolarHBondContact NE2-CG1 3.47Å
25Q94.7Very high93.4Very high92 Ų9250.1 Ų50.143%0.4324%0.237SC..Hα-helixtrans-57.9-41179-69.51728.300112.2E21 R22 R29E21-Q25 WeakPolarHBondContact O-CG 3.44Å; E21-Q25 PolarHBondContact O-N 2.82Å; E21-Q25 PolarHBondContact OE1-NE2 3.45Å; R22-Q25 PolarHBondContact O-N 3.47Å; Q25-R29 VanDerWaalsContact O-CB 3.26Å; Q25-R29 WeakPolarHBondContact O-CB 3.45Å; Q25-R29 PolarHBondContact O-N 2.92Å
26G96.3Very high94.1Very high0 Ų050.7 Ų50.70%025%0.246CC..Hα-helixtrans-62.5-45.1174.200000113.5R22 V23 H24 R29 A30 D58R22-G26 PolarHBondContact O-N 2.85Å; V23-G26 PolarHBondContact O-N 3.16Å; H24-G26 VanDerWaalsContact C-N 3.28Å; H24-G26 PolarHBondContact O-N 3.39Å; G26-R29 PolarHBondContact O-N 3.42Å; G26-A30 WeakPolarHBondContact O-CB 3.39Å; G26-A30 PolarHBondContact O-N 2.91Å; G26-D58 WeakPolarHBondContact CA-OD2 3.41Å
27M96.8Very high94.8Very high2 Ų250.3 Ų50.31%0.0124%0.24CC..Hα-helixtrans-63.8-45.6176.5-69.2-69.389.200112.4V7 G9 V23 H24 R29 A30 A31 L55 F61 P284 A286V7-M27 HydrophobicContact CG2-SD 4.26Å; G9-M27 PolarHBondContact N-SD 2.91Å; V23-M27 WeakPolarHBondContact O-CG 3.33Å; V23-M27 PolarHBondContact O-N 3.22Å; H24-M27 PolarHBondContact O-N 3.21Å; H24-M27 VanDerWaalsContact O-N 3.13Å; M27-R29 VanDerWaalsContact C-N 3.33Å; M27-R29 PolarHBondContact O-N 2.89Å; M27-A30 PolarHBondContact O-N 2.86Å; M27-A31 WeakPolarHBondContact O-CB 3.33Å; M27-A31 PolarHBondContact O-N 3.47Å; M27-L55 HydrophobicContact CE-CD1 3.8Å; M27-L55 HydrophobicContact CE-CD2 3.18Å; M27-L55 HydrophobicContact CE-CG 4.14Å; M27-F61 HydrophobicContact CE-CD1 4.18Å; M27-F61 HydrophobicContact CE-CE1 3.37Å; M27-F61 HydrophobicContact CE-CE2 4.28Å; M27-F61 HydrophobicContact CE-CZ 3.43Å; M27-F61 VanDerWaalsContact CE-CZ 3.43Å; M27-F61 HydrophobicContact CG-CE1 4.49Å; M27-F61 HydrophobicContact CG-CZ 4.35Å; M27-F61 HydrophobicContact SD-CE1 4.39Å; M27-P284 HydrophobicContact CG-CB 3.71Å; M27-P284 HydrophobicContact SD-CB 3.85Å; M27-A286 HydrophobicContact CB-CB 4.1Å
28V96.9Very high95.5Very high37 Ų3741.1 Ų41.122%0.22420%0.2CC..Hα-helixtrans-58.5-46.5175.6169.10000110.2H24 T32 L293 F295H24-V28 WeakPolarHBondContact O-CB 3.48Å; H24-V28 VanDerWaalsContact O-CG2 3.26Å; H24-V28 WeakPolarHBondContact O-CG2 3.47Å; H24-V28 PolarHBondContact O-N 3.04Å; V28-T32 VanDerWaalsContact O-CB 3.28Å; V28-T32 WeakPolarHBondContact O-CB 3.45Å; V28-T32 PolarHBondContact O-N 3.48Å; V28-T32 PolarHBondContact O-OG1 2.92Å; V28-L293 HydrophobicContact CB-CD2 4.08Å; V28-L293 HydrophobicContact CG1-CD2 3.68Å; V28-L293 HydrophobicContact CG2-CD2 3.82Å; V28-F295 HydrophobicContact CG2-CD1 4.33Å; V28-F295 HydrophobicContact CG2-CE1 4.46Å; V28-F295 HydrophobicContact CG2-CG 4.37Å
29R97.9Very high96Very high124 Ų12444.8 Ų44.847%0.46821%0.206SC..Hα-helixtrans-60-50.1178.2-169.8-164.2-34.8-72.2-5.1111.6Q25 G26 M27 T32 V33Q25-R29 VanDerWaalsContact O-CB 3.26Å; Q25-R29 WeakPolarHBondContact O-CB 3.45Å; Q25-R29 PolarHBondContact O-N 2.92Å; G26-R29 PolarHBondContact O-N 3.42Å; M27-R29 VanDerWaalsContact C-N 3.33Å; M27-R29 PolarHBondContact O-N 2.89Å; R29-T32 PolarHBondContact O-N 3.25Å; R29-V33 WeakPolarHBondContact O-CG2 3.38Å; R29-V33 PolarHBondContact O-N 3.07Å
30A98.6Very high96.3Very high0 Ų051.9 Ų51.90%024%0.24CC..Hα-helixtrans-62.6-45.6-17800000112.5V7 G26 M27 T32 V33 G34 A54 L55V7-A30 HydrophobicContact CG1-CB 4.48Å; V7-A30 HydrophobicContact CG2-CB 4.4Å; G26-A30 WeakPolarHBondContact O-CB 3.39Å; G26-A30 PolarHBondContact O-N 2.91Å; M27-A30 PolarHBondContact O-N 2.86Å; A30-T32 VanDerWaalsContact C-N 3.34Å; A30-T32 PolarHBondContact O-N 2.93Å; A30-V33 PolarHBondContact O-N 2.68Å; A30-G34 PolarHBondContact O-N 3.37Å; A30-A54 HydrophobicContact CB-CB 4.27Å; A30-L55 HydrophobicContact CB-CD1 4.01Å; A30-L55 HydrophobicContact CB-CD2 3.56Å; A30-L55 HydrophobicContact CB-CG 3.6Å
31A98.5Very high96.7Very high0 Ų051.1 Ų51.10%025%0.25CC..Hα-helixtrans-63.6-39.4175.300000112V5 V7 M27 Y35 A286 A288 L293V5-A31 WeakPolarHBondContact CG1-O 3.33Å; V7-A31 HydrophobicContact CG2-CB 4.08Å; M27-A31 WeakPolarHBondContact O-CB 3.33Å; M27-A31 PolarHBondContact O-N 3.47Å; A31-Y35 WeakPolarHBondContact O-CB 3.29Å; A31-Y35 PolarHBondContact O-N 2.69Å; A31-A286 HydrophobicContact CB-CB 3.76Å; A31-A288 HydrophobicContact CB-CB 4.37Å; A31-L293 HydrophobicContact CB-CD1 3.65Å
32T98Very high96.9Very high39 Ų3947 Ų4724%0.23924%0.237CC..Hα-helixtrans-65.2-44.4177.5-57.30000111.6V28 R29 A30 Y35 G36 L307 P308V28-T32 VanDerWaalsContact O-CB 3.28Å; V28-T32 WeakPolarHBondContact O-CB 3.45Å; V28-T32 PolarHBondContact O-N 3.48Å; V28-T32 PolarHBondContact O-OG1 2.92Å; R29-T32 PolarHBondContact O-N 3.25Å; A30-T32 VanDerWaalsContact C-N 3.34Å; A30-T32 PolarHBondContact O-N 2.93Å; T32-Y35 PolarHBondContact O-N 2.91Å; T32-G36 PolarHBondContact O-N 3.16Å; T32-L307 HydrophobicContact CG2-CD2 4.46Å; T32-P308 HydrophobicContact CG2-CG 4.16Å
33V98.5Very high97.2Very high60 Ų6043.8 Ų43.836%0.36423%0.229SC..Hα-helixtrans-60.7-52.7176.5168.90000110.7R29 A30 Y35 G36 I37 G50 A54R29-V33 WeakPolarHBondContact O-CG2 3.38Å; R29-V33 PolarHBondContact O-N 3.07Å; A30-V33 PolarHBondContact O-N 2.68Å; V33-Y35 VanDerWaalsContact C-N 3.33Å; V33-Y35 PolarHBondContact O-N 2.87Å; V33-G36 PolarHBondContact O-N 2.82Å; V33-I37 HydrophobicContact CG1-CD1 4.36Å; V33-I37 WeakPolarHBondContact O-CG1 3.33Å; V33-I37 PolarHBondContact O-N 2.79Å; V33-G50 WeakPolarHBondContact CG1-O 3.26Å; V33-A54 HydrophobicContact CG2-CB 4.42Å
34G98.6Very high97.4Very high0 Ų043.8 Ų43.80%023%0.229CC..Hα-helixtrans-59.9-43179.600000112.3A30 I37 L38 A47A30-G34 PolarHBondContact O-N 3.37Å; G34-I37 PolarHBondContact O-N 2.98Å; G34-L38 WeakPolarHBondContact O-CG 3.41Å; G34-L38 PolarHBondContact O-N 3.25Å; G34-A47 WeakPolarHBondContact CA-O 3.35Å; G34-A47 WeakPolarHBondContact O-CB 3.44Å
35Y98.2Very high97.7Very high15 Ų1542.3 Ų42.36%0.05922%0.223CC..Hα-helixtrans-70.6-35.4179.9-166.1-111.3000113P3 V5 A31 T32 V33 I37 L38 R39 A288 D290 G291 L307P3-Y35 HydrophobicContact CG-CE2 4.27Å; P3-Y35 WeakPolarHBondContact O-CE2 3.4Å; V5-Y35 HydrophobicContact CG1-CD2 4.39Å; A31-Y35 WeakPolarHBondContact O-CB 3.29Å; A31-Y35 PolarHBondContact O-N 2.69Å; T32-Y35 PolarHBondContact O-N 2.91Å; V33-Y35 VanDerWaalsContact C-N 3.33Å; V33-Y35 PolarHBondContact O-N 2.87Å; Y35-I37 VanDerWaalsContact C-N 3.33Å; Y35-I37 PolarHBondContact O-N 2.75Å; Y35-L38 PolarHBondContact O-N 3.08Å; Y35-R39 HydrophobicContact CD1-CG 3.82Å; Y35-R39 VanDerWaalsContact CE1-CD 3.44Å; Y35-R39 HydrophobicContact CE1-CG 3.59Å; Y35-R39 WeakPolarHBondContact O-CG 3.42Å; Y35-R39 PolarHBondContact O-N 2.98Å; Y35-A288 HydrophobicContact CD1-CB 4.31Å; Y35-A288 HydrophobicContact CD2-CB 3.85Å; Y35-A288 VanDerWaalsContact CD2-O 3.28Å; Y35-A288 WeakPolarHBondContact CD2-O 3.14Å; Y35-A288 WeakPolarHBondContact CE2-O 3.33Å; Y35-A288 HydrophobicContact CG-CB 3.68Å; Y35-D290 PolarHBondContact OH-N 3.07Å; Y35-D290 VanDerWaalsContact OH-N 3.09Å; Y35-G291 PolarHBondContact OH-N 3.35Å; Y35-L307 HydrophobicContact CD1-CD1 3.2Å; Y35-L307 HydrophobicContact CD1-CD2 4.29Å; Y35-L307 HydrophobicContact CD1-CG 4.37Å; Y35-L307 HydrophobicContact CE1-CD1 3.24Å; Y35-L307 HydrophobicContact CG-CD1 4.07Å
36G97.8Very high97.9Very high24 Ų2440.3 Ų40.325%0.24722%0.215CC..Hα-helixtrans-56.2-47.8173.900000111.6T32 V33 L38 R39 E40T32-G36 PolarHBondContact O-N 3.16Å; V33-G36 PolarHBondContact O-N 2.82Å; G36-L38 VanDerWaalsContact C-N 3.33Å; G36-L38 PolarHBondContact O-N 2.83Å; G36-R39 PolarHBondContact O-N 2.75Å; G36-E40 WeakPolarHBondContact O-CG 3.44Å; G36-E40 PolarHBondContact O-N 2.88Å
37I98.5Very high98Very high43 Ų4340.3 Ų40.322%0.22122%0.215CC..Hα-helixtrans-57.3-45.6175.8-66.1167.1000111.1V33 G34 Y35 E40 G41 G42 D46 A47V33-I37 HydrophobicContact CG1-CD1 4.36Å; V33-I37 WeakPolarHBondContact O-CG1 3.33Å; V33-I37 PolarHBondContact O-N 2.79Å; G34-I37 PolarHBondContact O-N 2.98Å; Y35-I37 VanDerWaalsContact C-N 3.33Å; Y35-I37 PolarHBondContact O-N 2.75Å; I37-E40 PolarHBondContact O-N 2.78Å; I37-G41 PolarHBondContact O-N 3.38Å; I37-G42 WeakPolarHBondContact O-CA 3.42Å; I37-G42 PolarHBondContact O-N 2.76Å; I37-D46 WeakPolarHBondContact CD1-O 3.3Å; I37-D46 HydrophobicContact CG2-CB 3.66Å; I37-A47 HydrophobicContact CB-CB 4.42Å; I37-A47 HydrophobicContact CG2-CB 4.27Å
38L98.3Very high98.1Very high0 Ų040.2 Ų40.20%021%0.214CC..Hα-helixtrans-65-41.1178.5-63.9175.1000112.6P3 I4 V5 G34 Y35 G36 E40 G41 A47 A173 D175P3-L38 HydrophobicContact CB-CB 3.7Å; P3-L38 HydrophobicContact CB-CD1 3.96Å; P3-L38 HydrophobicContact CB-CG 4.32Å; P3-L38 HydrophobicContact CG-CB 4.33Å; I4-L38 WeakPolarHBondContact O-CD1 3.5Å; V5-L38 HydrophobicContact CB-CD1 4.15Å; G34-L38 WeakPolarHBondContact O-CG 3.41Å; G34-L38 PolarHBondContact O-N 3.25Å; Y35-L38 PolarHBondContact O-N 3.08Å; G36-L38 VanDerWaalsContact C-N 3.33Å; G36-L38 PolarHBondContact O-N 2.83Å; L38-E40 VanDerWaalsContact C-N 3.26Å; L38-E40 PolarHBondContact O-N 3.22Å; L38-G41 PolarHBondContact O-N 3.02Å; L38-A47 HydrophobicContact CD1-CB 4.1Å; L38-A47 HydrophobicContact CD2-CB 3.46Å; L38-A47 VanDerWaalsContact CD2-CB 3.46Å; L38-A47 HydrophobicContact CG-CB 3.51Å; L38-A173 HydrophobicContact CD1-CB 4.25Å; L38-D175 HydrophobicContact CD2-CB 3.9Å
39R96.2Very high98.2Very high176 Ų17640 Ų4066%0.66421%0.211SC*.Hα-helixtrans-63.3-33.5177.9-76.2-17374.3172.80.1112.5Y35 G36 G41Y35-R39 HydrophobicContact CD1-CG 3.82Å; Y35-R39 VanDerWaalsContact CE1-CD 3.44Å; Y35-R39 HydrophobicContact CE1-CG 3.59Å; Y35-R39 WeakPolarHBondContact O-CG 3.42Å; Y35-R39 PolarHBondContact O-N 2.98Å; G36-R39 PolarHBondContact O-N 2.75Å; R39-G41 PolarHBondContact O-N 3.29Å
40E96.5Very high98.3Very high173 Ų17334.8 Ų34.881%0.80820%0.196SC*.THydrogen-bonded Turntrans-78.50.4176.6-68.8175.5-176.700112.9G36 I37 L38G36-E40 WeakPolarHBondContact O-CG 3.44Å; G36-E40 PolarHBondContact O-N 2.88Å; I37-E40 PolarHBondContact O-N 2.78Å; L38-E40 VanDerWaalsContact C-N 3.26Å; L38-E40 PolarHBondContact O-N 3.22Å
41G97Very high98.3Very high45 Ų4534.8 Ų34.846%0.46420%0.196SC..THydrogen-bonded Turntrans87.412.817900000114.4I37 L38 R39I37-G41 PolarHBondContact O-N 3.38Å; L38-G41 PolarHBondContact O-N 3.02Å; R39-G41 PolarHBondContact O-N 3.29Å
42G98.3Very high98.3Very high22 Ų2234.8 Ų34.823%0.22720%0.196CC..  trans-63.3163.7171.100000112.8I37I37-G42 WeakPolarHBondContact O-CA 3.42Å; I37-G42 PolarHBondContact O-N 2.76Å
43S98.6Very high98.3Very high31 Ų3133.8 Ų33.822%0.21719%0.19CC..  trans-78.8163.6-179.470.30000112.4V45 D46 A47S43-V45 PolarHBondContact O-N 2.61Å; S43-D46 WeakPolarHBondContact CB-OD2 3.36Å; S43-D46 PolarHBondContact N-OD2 3.01Å; S43-D46 VanDerWaalsContact N-OD2 3.13Å; S43-D46 PolarHBondContact O-N 3.13Å; S43-D46 PolarHBondContact OG-N 2.78Å; S43-D46 VanDerWaalsContact OG-N 3.1Å; S43-D46 PolarHBondContact OG-OD2 3.46Å; S43-A47 PolarHBondContact O-N 3.01Å
44A98.8Very high98.4Very high1 Ų131.6 Ų31.61%0.00818%0.178CC..Hα-helixtrans-59-37.9172.300000111.7A47 V48 A173 D175 N179 A181A44-A47 PolarHBondContact O-N 3.41Å; A44-V48 WeakPolarHBondContact O-CG2 3.33Å; A44-V48 PolarHBondContact O-N 3.07Å; A44-A173 HydrophobicContact CB-CB 4.23Å; A44-D175 HydrophobicContact CB-CB 4.09Å; A44-D175 PolarHBondContact N-OD2 2.87Å; A44-N179 WeakPolarHBondContact CB-O 3.38Å; A44-A181 HydrophobicContact CB-CB 3.71Å
45V98.9Very high98.3Very high5 Ų531.6 Ų31.63%0.0318%0.178CC..Hα-helixtrans-60.8-47.4176.1176.60000111.3S43 A47 V48 E49 I81 D83 M109 A181S43-V45 PolarHBondContact O-N 2.61Å; V45-A47 VanDerWaalsContact C-N 3.3Å; V45-A47 PolarHBondContact O-N 3.31Å; V45-V48 VanDerWaalsContact O-CG2 3.3Å; V45-V48 WeakPolarHBondContact O-CG2 3.36Å; V45-V48 PolarHBondContact O-N 2.91Å; V45-E49 WeakPolarHBondContact O-CB 3.32Å; V45-E49 PolarHBondContact O-N 3.26Å; V45-I81 HydrophobicContact CG1-CD1 3.89Å; V45-D83 HydrophobicContact CG2-CB 3.61Å; V45-M109 HydrophobicContact CG1-CE 3.96Å; V45-A181 HydrophobicContact CG2-CB 3.96Å
46D98.9Very high98.4Very high49 Ų4930.9 Ų30.926%0.26218%0.175SC..Hα-helixtrans-62.5-39.9178.1-58.5-45.5000111.3I37 S43 G50 R106I37-D46 WeakPolarHBondContact CD1-O 3.3Å; I37-D46 HydrophobicContact CG2-CB 3.66Å; S43-D46 WeakPolarHBondContact CB-OD2 3.36Å; S43-D46 PolarHBondContact N-OD2 3.01Å; S43-D46 VanDerWaalsContact N-OD2 3.13Å; S43-D46 PolarHBondContact O-N 3.13Å; S43-D46 PolarHBondContact OG-N 2.78Å; S43-D46 VanDerWaalsContact OG-N 3.1Å; S43-D46 PolarHBondContact OG-OD2 3.46Å; D46-G50 PolarHBondContact O-N 3.1Å; D46-R106 IonicContact OD1-CZ 3.67Å; D46-R106 VanDerWaalsContact OD1-CZ 3.22Å; D46-R106 IonicContact OD1-NH1 2.91Å; D46-R106 PolarHBondContact OD1-NH1 3.03Å; D46-R106 IonicContact OD1-NH2 2.94Å; D46-R106 PolarHBondContact OD1-NH2 3.41Å
47A98.9Very high98.4Very high0 Ų034 Ų340%019%0.187CC..Hα-helixtrans-66.6-44.5-179.400000112.8G34 I37 L38 S43 A44 V45 A51 A173G34-A47 WeakPolarHBondContact CA-O 3.35Å; G34-A47 WeakPolarHBondContact O-CB 3.44Å; I37-A47 HydrophobicContact CB-CB 4.42Å; I37-A47 HydrophobicContact CG2-CB 4.27Å; L38-A47 HydrophobicContact CD1-CB 4.1Å; L38-A47 HydrophobicContact CD2-CB 3.46Å; L38-A47 VanDerWaalsContact CD2-CB 3.46Å; L38-A47 HydrophobicContact CG-CB 3.51Å; S43-A47 PolarHBondContact O-N 3.01Å; A44-A47 PolarHBondContact O-N 3.41Å; V45-A47 VanDerWaalsContact C-N 3.3Å; V45-A47 PolarHBondContact O-N 3.31Å; A47-A51 VanDerWaalsContact O-CB 3.32Å; A47-A51 WeakPolarHBondContact O-CB 3.47Å; A47-A51 PolarHBondContact O-N 3.42Å; A47-A173 HydrophobicContact CB-CB 4.16Å
48V99Very high98.3Very high0 Ų033 Ų330%018%0.181CC..Hα-helixtrans-70.7-37.2178.2-62.30000111.9A44 V45 V52 I81 A171 A173 A181 A183A44-V48 WeakPolarHBondContact O-CG2 3.33Å; A44-V48 PolarHBondContact O-N 3.07Å; V45-V48 VanDerWaalsContact O-CG2 3.3Å; V45-V48 WeakPolarHBondContact O-CG2 3.36Å; V45-V48 PolarHBondContact O-N 2.91Å; V48-V52 WeakPolarHBondContact O-CB 3.36Å; V48-V52 WeakPolarHBondContact O-CG2 3.26Å; V48-V52 PolarHBondContact O-N 2.99Å; V48-I81 HydrophobicContact CG2-CD1 4.14Å; V48-I81 HydrophobicContact CG2-CG1 4.27Å; V48-A171 HydrophobicContact CB-CB 3.98Å; V48-A171 HydrophobicContact CG1-CB 4.06Å; V48-A173 HydrophobicContact CG1-CB 3.57Å; V48-A181 HydrophobicContact CG1-CB 4.33Å; V48-A181 HydrophobicContact CG2-CB 3.88Å; V48-A183 HydrophobicContact CB-CB 3.68Å; V48-A183 HydrophobicContact CG2-CB 3.71Å
49E98.9Very high98.1Very high32 Ų3235.9 Ų35.915%0.1520%0.2CC..Hα-helixtrans-60.8-52.7172.3-177.9-176-128.900110.5V45 A51 V52 V53 I81 I102 K103 R106V45-E49 WeakPolarHBondContact O-CB 3.32Å; V45-E49 PolarHBondContact O-N 3.26Å; E49-A51 VanDerWaalsContact C-N 3.32Å; E49-A51 PolarHBondContact O-N 3.37Å; E49-V52 PolarHBondContact O-N 2.9Å; E49-V53 HydrophobicContact CG-CG2 4.15Å; E49-V53 WeakPolarHBondContact O-CB 3.47Å; E49-V53 WeakPolarHBondContact O-CG2 3.49Å; E49-V53 PolarHBondContact O-N 3.44Å; E49-I81 HydrophobicContact CB-CD1 4.17Å; E49-I102 HydrophobicContact CG-CG2 4.26Å; E49-K103 HydrophobicContact CG-CG 4.45Å; E49-R106 VanDerWaalsContact CD-CD 3.4Å; E49-R106 WeakPolarHBondContact OE1-CD 3.46Å; E49-R106 IonicContact OE2-CZ 2.78Å; E49-R106 IonicContact OE2-NE 2.91Å; E49-R106 IonicContact OE2-NH1 2.83Å; E49-R106 PolarHBondContact OE2-NH1 3.01Å
50G98.8Very high98Very high15 Ų1528.6 Ų28.616%0.15517%0.174CC..Hα-helixtrans-59.1-41.2-179.200000113.1V33 D46 A54V33-G50 WeakPolarHBondContact CG1-O 3.26Å; D46-G50 PolarHBondContact O-N 3.1Å; G50-A54 PolarHBondContact O-N 2.78Å; G50-A54 VanDerWaalsContact O-N 3.13Å
51A98.9Very high98Very high0 Ų020.4 Ų20.40%014%0.135CC..Hα-helixtrans-64-45175.600000112.5V7 A47 E49 A54 L55 A171V7-A51 HydrophobicContact CG1-CB 3.87Å; A47-A51 VanDerWaalsContact O-CB 3.32Å; A47-A51 WeakPolarHBondContact O-CB 3.47Å; A47-A51 PolarHBondContact O-N 3.42Å; E49-A51 VanDerWaalsContact C-N 3.32Å; E49-A51 PolarHBondContact O-N 3.37Å; A51-A54 PolarHBondContact O-N 2.78Å; A51-L55 WeakPolarHBondContact O-CG 3.2Å; A51-L55 PolarHBondContact O-N 2.98Å; A51-A171 HydrophobicContact CB-CB 3.9Å
52V98.9Very high97.9Very high0 Ų018.4 Ų18.40%011%0.114CC..Hα-helixtrans-70.4-37.7179.2170.90000111.7V48 E49 A54 L55 E56 I102 V169 A171 A183V48-V52 WeakPolarHBondContact O-CB 3.36Å; V48-V52 WeakPolarHBondContact O-CG2 3.26Å; V48-V52 PolarHBondContact O-N 2.99Å; E49-V52 PolarHBondContact O-N 2.9Å; V52-A54 VanDerWaalsContact C-N 3.29Å; V52-A54 PolarHBondContact O-N 3.39Å; V52-L55 CarbonylContact O-C 3.54Å; V52-L55 WeakPolarHBondContact O-CA 3.48Å; V52-L55 WeakPolarHBondContact O-CB 3.35Å; V52-L55 PolarHBondContact O-N 2.89Å; V52-E56 HydrophobicContact CG1-CG 4.11Å; V52-E56 WeakPolarHBondContact O-CG 3.44Å; V52-E56 PolarHBondContact O-N 3.02Å; V52-I102 HydrophobicContact CB-CB 4.45Å; V52-I102 HydrophobicContact CB-CG1 4.21Å; V52-I102 HydrophobicContact CB-CG2 4.29Å; V52-I102 HydrophobicContact CG1-CB 3.77Å; V52-I102 HydrophobicContact CG1-CD1 4.42Å; V52-I102 HydrophobicContact CG1-CG1 3.91Å; V52-I102 HydrophobicContact CG1-CG2 3.88Å; V52-V169 HydrophobicContact CG1-CG2 4.17Å; V52-A171 HydrophobicContact CG2-CB 3.94Å; V52-A183 HydrophobicContact CB-CB 4.28Å; V52-A183 HydrophobicContact CG2-CB 3.62Å
53V98.9Very high97.9Very high18 Ų1817.3 Ų17.311%0.10910%0.103CC..Hα-helixtrans-57.3-44.4173.3168.50000110.7E49 L55 E56 D57 N100 I102 K103E49-V53 HydrophobicContact CG-CG2 4.15Å; E49-V53 WeakPolarHBondContact O-CB 3.47Å; E49-V53 WeakPolarHBondContact O-CG2 3.49Å; E49-V53 PolarHBondContact O-N 3.44Å; V53-L55 PolarHBondContact O-N 3.03Å; V53-L55 VanDerWaalsContact O-N 3.16Å; V53-E56 PolarHBondContact O-N 2.86Å; V53-D57 WeakPolarHBondContact O-CB 3.38Å; V53-D57 PolarHBondContact O-N 3.08Å; V53-N100 HydrophobicContact CG2-CB 4.44Å; V53-I102 HydrophobicContact CG2-CG2 3.6Å; V53-K103 HydrophobicContact CG2-CD 4.35Å; V53-K103 HydrophobicContact CG2-CG 3.99Å
54A98.7Very high97.8Very high14 Ų1415.9 Ų15.912%0.1169%0.093CC..Hα-helixtrans-60.6-25.9176.600000113.4A30 V33 G50 A51 V52A30-A54 HydrophobicContact CB-CB 4.27Å; V33-A54 HydrophobicContact CG2-CB 4.42Å; G50-A54 PolarHBondContact O-N 2.78Å; G50-A54 VanDerWaalsContact O-N 3.13Å; A51-A54 PolarHBondContact O-N 2.78Å; V52-A54 VanDerWaalsContact C-N 3.29Å; V52-A54 PolarHBondContact O-N 3.39Å
55L98.5Very high97.7Very high0 Ų017.5 Ų17.50%010%0.104CC..Hα-helixtrans-88.1-33.7175.8-61.9174.9000113M27 A30 A51 V52 V53 D57 D58 F61 V169M27-L55 HydrophobicContact CE-CD1 3.8Å; M27-L55 HydrophobicContact CE-CD2 3.18Å; M27-L55 HydrophobicContact CE-CG 4.14Å; A30-L55 HydrophobicContact CB-CD1 4.01Å; A30-L55 HydrophobicContact CB-CD2 3.56Å; A30-L55 HydrophobicContact CB-CG 3.6Å; A51-L55 WeakPolarHBondContact O-CG 3.2Å; A51-L55 PolarHBondContact O-N 2.98Å; V52-L55 CarbonylContact O-C 3.54Å; V52-L55 WeakPolarHBondContact O-CA 3.48Å; V52-L55 WeakPolarHBondContact O-CB 3.35Å; V52-L55 PolarHBondContact O-N 2.89Å; V53-L55 PolarHBondContact O-N 3.03Å; V53-L55 VanDerWaalsContact O-N 3.16Å; L55-D57 VanDerWaalsContact C-N 3.27Å; L55-D58 PolarHBondContact O-N 2.94Å; L55-F61 HydrophobicContact CD2-CD2 3.84Å; L55-F61 HydrophobicContact CD2-CE1 4.37Å; L55-F61 HydrophobicContact CD2-CE2 3.61Å; L55-F61 HydrophobicContact CD2-CG 4.31Å; L55-F61 HydrophobicContact CD2-CZ 3.9Å; L55-V169 HydrophobicContact CB-CB 4.06Å; L55-V169 HydrophobicContact CB-CG1 4.1Å; L55-V169 HydrophobicContact CB-CG2 3.98Å; L55-V169 HydrophobicContact CD1-CB 3.83Å; L55-V169 HydrophobicContact CD1-CG1 4.35Å; L55-V169 HydrophobicContact CD1-CG2 4.36Å
56E98.4Very high97.5Very high0 Ų017.3 Ų17.30%010%0.103CC..Hα-helixtrans-66.8-29.5172.2-73.317815600112.3V52 V53 D58 A63 G64 C65 N100 P101 I102 S185V52-E56 HydrophobicContact CG1-CG 4.11Å; V52-E56 WeakPolarHBondContact O-CG 3.44Å; V52-E56 PolarHBondContact O-N 3.02Å; V53-E56 PolarHBondContact O-N 2.86Å; E56-D58 VanDerWaalsContact C-N 3.34Å; E56-A63 HydrophobicContact CG-CB 3.95Å; E56-G64 CarbonylContact O-C 3.55Å; E56-G64 WeakPolarHBondContact O-CA 3.26Å; E56-C65 PolarHBondContact O-N 3.14Å; E56-N100 WeakPolarHBondContact OE2-CA 3.47Å; E56-N100 WeakPolarHBondContact OE2-CB 3.01Å; E56-N100 PolarHBondContact OE2-ND2 2.84Å; E56-P101 VanDerWaalsContact OE1-CD 3.31Å; E56-P101 WeakPolarHBondContact OE1-CD 3.3Å; E56-I102 PolarHBondContact OE1-N 3.02Å; E56-I102 VanDerWaalsContact OE2-CG2 3.28Å; E56-I102 WeakPolarHBondContact OE2-CG2 3.4Å; E56-S185 VanDerWaalsContact OE1-CB 3.23Å; E56-S185 WeakPolarHBondContact OE1-CB 3.25Å; E56-S185 PolarHBondContact OE1-OG 3.37Å
57D98.2Very high97.4Very high91 Ų9115 Ų1549%0.4879%0.09SC..THydrogen-bonded Turntrans-83.8-9.9177.2-68.3-18.5000112.7V53 L55 N100V53-D57 WeakPolarHBondContact O-CB 3.38Å; V53-D57 PolarHBondContact O-N 3.08Å; L55-D57 VanDerWaalsContact C-N 3.27Å; D57-N100 PolarHBondContact OD1-ND2 3.35Å
58D96.6Very high97.2Very high20 Ų2015 Ų1511%0.1079%0.09CC..  trans-100.5111.2-177.5-174.5-24.7000111.6G26 L55 E56 E60 F61G26-D58 WeakPolarHBondContact CA-OD2 3.41Å; L55-D58 PolarHBondContact O-N 2.94Å; E56-D58 VanDerWaalsContact C-N 3.34Å; D58-E60 PolarHBondContact O-N 3.46Å; D58-E60 WeakPolarHBondContact OD1-CB 3.24Å; D58-E60 PolarHBondContact OD1-N 3.01Å; D58-F61 HydrophobicContact CB-CD2 3.79Å; D58-F61 HydrophobicContact CB-CE2 4.05Å; D58-F61 PolarHBondContact O-N 2.96Å
59P95.4Very high97.1Very high62 Ų6215.2 Ų15.240%0.4039%0.091SC..THydrogen-bonded Turntrans-64.8-7.4-175.129.2-36.9000114.1F61 C65 T141 R143P59-F61 VanDerWaalsContact C-N 3.32Å; P59-C65 WeakPolarHBondContact CA-O 3.13Å; P59-T141 HydrophobicContact CB-CG2 3.86Å; P59-R143 VanDerWaalsContact O-CZ 3.24Å; P59-R143 PolarHBondContact O-NH1 3.45Å; P59-R143 PolarHBondContact O-NH2 3.37Å
60E93.9Very high97Very high23 Ų2313.7 Ų13.711%0.1078%0.084CC..THydrogen-bonded Turntrans-70.8-28172.6-75.2-62.4160.100113.2R19 R22 V23 D58 R143 L166R19-E60 IonicContact CZ-OE2 3.83Å; R19-E60 VanDerWaalsContact CZ-OE2 3.3Å; R19-E60 IonicContact NE-OE2 3.63Å; R19-E60 PolarHBondContact NE-OE2 2.95Å; R19-E60 PolarHBondContact NH2-O 2.87Å; R19-E60 IonicContact NH2-OE2 2.89Å; R19-E60 PolarHBondContact NH2-OE2 3.06Å; R22-E60 HydrophobicContact CB-CG 3.86Å; R22-E60 IonicContact CZ-OE1 2.96Å; R22-E60 IonicContact NE-OE1 2.78Å; R22-E60 PolarHBondContact NE-OE1 2.79Å; R22-E60 IonicContact NH2-OE1 3.61Å; R22-E60 PolarHBondContact NH2-OE1 2.88Å; V23-E60 HydrophobicContact CG2-CB 4.41Å; D58-E60 PolarHBondContact O-N 3.46Å; D58-E60 WeakPolarHBondContact OD1-CB 3.24Å; D58-E60 PolarHBondContact OD1-N 3.01Å; E60-R143 PolarHBondContact O-NH1 3.39Å; E60-R143 PolarHBondContact O-NH2 3.4Å; E60-R143 VanDerWaalsContact O-NH2 3.08Å; E60-R143 IonicContact OE2-NH1 2.71Å; E60-R143 PolarHBondContact OE2-NH1 3.2Å; E60-L166 WeakPolarHBondContact O-CD1 3.09Å
61F95.6Very high96.9Very high0 Ų015.1 Ų15.10%09%0.09CC..SBendtrans-94.3169.2-176.9-57.7-79.4000112.8V23 M27 L55 D58 P59 G66 L166 V169V23-F61 HydrophobicContact CG1-CE1 4.09Å; V23-F61 HydrophobicContact CG1-CZ 4.32Å; M27-F61 HydrophobicContact CE-CD1 4.18Å; M27-F61 HydrophobicContact CE-CE1 3.37Å; M27-F61 HydrophobicContact CE-CE2 4.28Å; M27-F61 HydrophobicContact CE-CZ 3.43Å; M27-F61 VanDerWaalsContact CE-CZ 3.43Å; M27-F61 HydrophobicContact CG-CE1 4.49Å; M27-F61 HydrophobicContact CG-CZ 4.35Å; M27-F61 HydrophobicContact SD-CE1 4.39Å; L55-F61 HydrophobicContact CD2-CD2 3.84Å; L55-F61 HydrophobicContact CD2-CE1 4.37Å; L55-F61 HydrophobicContact CD2-CE2 3.61Å; L55-F61 HydrophobicContact CD2-CG 4.31Å; L55-F61 HydrophobicContact CD2-CZ 3.9Å; D58-F61 HydrophobicContact CB-CD2 3.79Å; D58-F61 HydrophobicContact CB-CE2 4.05Å; D58-F61 PolarHBondContact O-N 2.96Å; P59-F61 VanDerWaalsContact C-N 3.32Å; F61-G66 CarbonylContact O-C 3.56Å; F61-G66 WeakPolarHBondContact O-CA 3.35Å; F61-L166 HydrophobicContact CD1-CD2 4.28Å; F61-L166 HydrophobicContact CE1-CD2 4.41Å; F61-V169 HydrophobicContact CB-CG1 3.69Å; F61-V169 HydrophobicContact CD1-CG1 4.23Å; F61-V169 HydrophobicContact CG-CG1 4.14Å
62N95.8Very high96.8Very high3 Ų320.1 Ų20.12%0.01612%0.117CC..SBendtrans-103.560.5-179.7177.527.4000110.5V68 L166 T186 G187 G188N62-V68 WeakPolarHBondContact OD1-CG1 3.33Å; N62-V68 WeakPolarHBondContact OD1-CG2 3.49Å; N62-V68 PolarHBondContact OD1-N 2.79Å; N62-L166 WeakPolarHBondContact CB-O 3.14Å; N62-L166 PolarHBondContact ND2-O 2.91Å; N62-T186 CarbonylContact O-C 3.09Å; N62-T186 WeakPolarHBondContact O-CA 3.48Å; N62-G187 PolarHBondContact O-N 2.95Å; N62-G187 WeakPolarHBondContact OD1-CA 3.47Å; N62-G188 PolarHBondContact ND2-O 2.98Å
63A96.9Very high96.7Very high0 Ų021.4 Ų21.40%013%0.131CC..SBendtrans-155155.717400000108.1E56 C65 S67 V169E56-A63 HydrophobicContact CG-CB 3.95Å; A63-C65 CarbonylContact O-C 3.41Å; A63-C65 PolarHBondContact O-N 2.98Å; A63-C65 VanDerWaalsContact O-O 3.13Å; A63-S67 VanDerWaalsContact C-OG 3.25Å; A63-S67 WeakPolarHBondContact CA-OG 3.2Å; A63-V169 HydrophobicContact CB-CB 4.44Å; A63-V169 HydrophobicContact CB-CG1 4.1Å; A63-V169 HydrophobicContact CB-CG2 3.51Å
64G97.4Very high96.7Very high0 Ų024.4 Ų24.40%014%0.143CC..SBendtrans47.2-126.7-178.900000112.5E56 G66 S67 M77E56-G64 CarbonylContact O-C 3.55Å; E56-G64 WeakPolarHBondContact O-CA 3.26Å; G64-G66 PolarHBondContact O-N 3.29Å; G64-S67 PolarHBondContact N-OG 3.09Å; G64-S67 WeakPolarHBondContact O-CB 3.4Å; G64-S67 PolarHBondContact O-N 3.44Å; G64-S67 PolarHBondContact O-OG 3.32Å; G64-M77 VanDerWaalsContact CA-SD 3.53Å
65C96.4Very high96.7Very high36 Ų3624 Ų2424%0.24314%0.14CC..THydrogen-bonded Turntrans-68.3117.6169.1-1760000109.7E56 P59 A63 L139E56-C65 PolarHBondContact O-N 3.14Å; P59-C65 WeakPolarHBondContact CA-O 3.13Å; A63-C65 CarbonylContact O-C 3.41Å; A63-C65 PolarHBondContact O-N 2.98Å; A63-C65 VanDerWaalsContact O-O 3.13Å; C65-L139 HydrophobicContact CB-CD2 4.33Å
66G95Very high96.6Very high0 Ų024.2 Ų24.20%014%0.141CC..THydrogen-bonded Turntrans107.9-0.7-171.200000114.2F61 G64 L139 N144F61-G66 CarbonylContact O-C 3.56Å; F61-G66 WeakPolarHBondContact O-CA 3.35Å; G64-G66 PolarHBondContact O-N 3.29Å; G66-L139 PolarHBondContact N-O 2.68Å; G66-L139 VanDerWaalsContact N-O 3.08Å; G66-N144 PolarHBondContact O-ND2 2.94Å
67S96.7Very high96.6Very high0 Ų024.2 Ų24.20%014%0.141CC..  trans-57141.3170.1-67.30000112.8A63 G64 M77 N144A63-S67 VanDerWaalsContact C-OG 3.25Å; A63-S67 WeakPolarHBondContact CA-OG 3.2Å; G64-S67 PolarHBondContact N-OG 3.09Å; G64-S67 WeakPolarHBondContact O-CB 3.4Å; G64-S67 PolarHBondContact O-N 3.44Å; G64-S67 PolarHBondContact O-OG 3.32Å; S67-M77 WeakPolarHBondContact OG-CG 3.3Å; S67-M77 PolarHBondContact OG-SD 2.93Å; S67-N144 VanDerWaalsContact C-ND2 3.33Å; S67-N144 PolarHBondContact O-ND2 3.31Å
68V95.4Very high96.7Very high1 Ų119.9 Ų19.91%0.00612%0.117CC..  trans-66.5163.4171.2-65.10000111.6N62 G187 G188 I189 V190N62-V68 WeakPolarHBondContact OD1-CG1 3.33Å; N62-V68 WeakPolarHBondContact OD1-CG2 3.49Å; N62-V68 PolarHBondContact OD1-N 2.79Å; V68-G187 VanDerWaalsContact CG2-O 3.26Å; V68-G187 WeakPolarHBondContact CG2-O 3.41Å; V68-G188 WeakPolarHBondContact CG2-O 3.43Å; V68-I189 VanDerWaalsContact CG2-C 3.46Å; V68-V190 HydrophobicContact CB-CB 4.28Å; V68-V190 HydrophobicContact CG1-CB 4.35Å
69L96.8Very high96.8Very high4 Ų419 Ų192%0.02111%0.112CC..  trans-105.8143.4-173.2-51-179.5000111.6E74 V75 V140 N144 K145 L148 N191L69-E74 WeakPolarHBondContact CA-O 3.18Å; L69-V75 HydrophobicContact CD2-CG2 3.61Å; L69-V140 HydrophobicContact CD1-CG1 4.06Å; L69-V140 HydrophobicContact CD2-CB 4.46Å; L69-V140 HydrophobicContact CD2-CG1 4.07Å; L69-V140 HydrophobicContact CD2-CG2 3.82Å; L69-N144 HydrophobicContact CG-CB 4.27Å; L69-K145 HydrophobicContact CD1-CG 4.25Å; L69-L148 HydrophobicContact CB-CB 4.42Å; L69-L148 HydrophobicContact CB-CD2 3.9Å; L69-L148 HydrophobicContact CD1-CB 4.34Å; L69-L148 HydrophobicContact CD1-CD2 4.06Å; L69-N191 PolarHBondContact O-N 2.92Å
70N96.8Very high96.9Very high0 Ų016 Ų160%09%0.093CC..  trans-74.8-176.1171.571.317.4000111.9N72 G73 E74 E76 K192N70-N72 PolarHBondContact O-N 2.96Å; N70-N72 VanDerWaalsContact O-N 3.17Å; N70-N72 WeakPolarHBondContact OD1-CA 3.41Å; N70-N72 WeakPolarHBondContact OD1-CB 3.47Å; N70-N72 PolarHBondContact OD1-N 3.13Å; N70-G73 PolarHBondContact O-N 2.82Å; N70-G73 PolarHBondContact OD1-N 2.98Å; N70-E74 PolarHBondContact N-O 2.91Å; N70-E74 PolarHBondContact OD1-N 3.35Å; N70-E74 PolarHBondContact OD1-O 3.29Å; N70-E76 PolarHBondContact ND2-OE2 3.35Å; N70-E76 VanDerWaalsContact ND2-OE2 3.16Å; N70-K192 CarbonylContact C-O 3.53Å; N70-K192 WeakPolarHBondContact CA-O 3.25Å; N70-K192 HydrophobicContact CB-CG 3.87Å; N70-K192 WeakPolarHBondContact CB-O 3.26Å
71T96.1Very high97.2Very high46 Ų4614.9 Ų14.928%0.2829%0.088SC..THydrogen-bonded Turntrans-57.6-27.5179.545.30000114.1K152 K192T71-K152 WeakPolarHBondContact O-CE 3.39Å; T71-K152 PolarHBondContact O-NZ 3.05Å; T71-K192 WeakPolarHBondContact CG2-O 3.3Å; T71-K192 PolarHBondContact N-O 3.07Å
72N96.9Very high97.3Very high104 Ų10415.1 Ų15.156%0.5569%0.089SC*.THydrogen-bonded Turntrans-86-8.3179.1-68.40000113.1N70 E74 V194N70-N72 PolarHBondContact O-N 2.96Å; N70-N72 VanDerWaalsContact O-N 3.17Å; N70-N72 WeakPolarHBondContact OD1-CA 3.41Å; N70-N72 WeakPolarHBondContact OD1-CB 3.47Å; N70-N72 PolarHBondContact OD1-N 3.13Å; N72-E74 HydrophobicContact CB-CG 4.13Å; N72-E74 WeakPolarHBondContact CB-OE2 3.46Å; N72-V194 HydrophobicContact CB-CG2 4.43Å
73G96.9Very high97.5Very high28 Ų2816.3 Ų16.329%0.28910%0.095SC..SBendtrans86.212.3-173.500000113.9N70N70-G73 PolarHBondContact O-N 2.82Å; N70-G73 PolarHBondContact OD1-N 2.98Å
74E97.9Very high97.6Very high80 Ų8016.4 Ų16.437%0.37410%0.096SC..  trans-98.2155.5-178.3-61.4159.5162.400110.8L69 N70 N72L69-E74 WeakPolarHBondContact CA-O 3.18Å; N70-E74 PolarHBondContact N-O 2.91Å; N70-E74 PolarHBondContact OD1-N 3.35Å; N70-E74 PolarHBondContact OD1-O 3.29Å; N72-E74 HydrophobicContact CB-CG 4.13Å; N72-E74 WeakPolarHBondContact CB-OE2 3.46Å
75V98.1Very high97.6Very high7 Ų722.8 Ų22.84%0.04212%0.124CC..  trans-89.8123.9172.5169.90000108.8L69 M77 Q96 L139 V140L69-V75 HydrophobicContact CD2-CG2 3.61Å; V75-M77 HydrophobicContact CG1-CE 3.87Å; V75-M77 HydrophobicContact CG1-CG 3.63Å; V75-M77 HydrophobicContact CG1-SD 3.75Å; V75-Q96 WeakPolarHBondContact O-CG 3.2Å; V75-L139 HydrophobicContact CB-CB 4.38Å; V75-L139 HydrophobicContact CB-CD1 4.48Å; V75-L139 HydrophobicContact CG1-CB 4.32Å; V75-L139 HydrophobicContact CG1-CD1 4.07Å; V75-L139 HydrophobicContact CG2-CB 4.03Å; V75-V140 HydrophobicContact CG2-CG2 3.91Å
76E98.2Very high97.7Very high4 Ų425.8 Ų25.82%0.01914%0.138CC..  trans-122.8130166.6-73.2173.213500107.7N70 V95 Q96 K192 V194 G195N70-E76 PolarHBondContact ND2-OE2 3.35Å; N70-E76 VanDerWaalsContact ND2-OE2 3.16Å; E76-V95 WeakPolarHBondContact CA-O 3.35Å; E76-Q96 HydrophobicContact CG-CG 4.08Å; E76-K192 PolarHBondContact O-NZ 3.18Å; E76-V194 WeakPolarHBondContact OE1-CG1 3.31Å; E76-G195 PolarHBondContact OE1-N 3.02Å; E76-G195 PolarHBondContact OE2-N 3.09Å
77M98.5Very high97.9Very high0 Ų029.4 Ų29.40%016%0.157CC..EExtended strand (participates in β ladder)trans-121.5151.7-175.5-64.7167.7-66.400111.4G64 S67 V75 S93 A94 V95 I98 P101 L139 T186G64-M77 VanDerWaalsContact CA-SD 3.53Å; S67-M77 WeakPolarHBondContact OG-CG 3.3Å; S67-M77 PolarHBondContact OG-SD 2.93Å; V75-M77 HydrophobicContact CG1-CE 3.87Å; V75-M77 HydrophobicContact CG1-CG 3.63Å; V75-M77 HydrophobicContact CG1-SD 3.75Å; M77-S93 CarbonylContact O-C 3.57Å; M77-A94 PolarHBondContact O-N 3.42Å; M77-A94 VanDerWaalsContact O-N 3.08Å; M77-V95 HydrophobicContact CB-CG2 4.15Å; M77-V95 PolarHBondContact N-O 2.64Å; M77-V95 WeakPolarHBondContact O-CG2 3.26Å; M77-V95 PolarHBondContact O-N 3.21Å; M77-I98 VanDerWaalsContact CE-O 3.31Å; M77-I98 WeakPolarHBondContact CE-O 3.35Å; M77-P101 HydrophobicContact CB-CB 4.27Å; M77-P101 HydrophobicContact CB-CG 3.59Å; M77-P101 HydrophobicContact CE-CG 3.65Å; M77-P101 HydrophobicContact CG-CG 4.1Å; M77-P101 HydrophobicContact SD-CG 3.47Å; M77-P101 WeakPolarHBondContact SD-CG 3.34Å; M77-L139 HydrophobicContact CE-CD1 3.64Å; M77-L139 HydrophobicContact SD-CD1 4.42Å; M77-T186 VanDerWaalsContact CA-O 3.26Å; M77-T186 WeakPolarHBondContact CA-O 3.36Å
78D98.6Very high98Very high0 Ų031.1 Ų31.10%017%0.169CC..EExtended strand (participates in β ladder)trans-124.7142.3173.1-53.3-33000108.9V92 S93 A94 S185 T186 G198 P201D78-V92 CarbonylContact C-O 3.21Å; D78-V92 WeakPolarHBondContact CA-O 3.48Å; D78-S93 WeakPolarHBondContact OD1-CA 3.48Å; D78-S93 VanDerWaalsContact OD1-CB 3.26Å; D78-S93 WeakPolarHBondContact OD1-CB 3.26Å; D78-A94 PolarHBondContact OD1-N 2.9Å; D78-S185 CarbonylContact O-C 3.53Å; D78-S185 WeakPolarHBondContact O-CA 3.45Å; D78-T186 HydrophobicContact CB-CG2 3.95Å; D78-T186 PolarHBondContact N-O 2.9Å; D78-T186 PolarHBondContact O-N 3Å; D78-G198 PolarHBondContact OD2-N 3.32Å; D78-P201 HydrophobicContact CB-CB 4.13Å; D78-P201 HydrophobicContact CB-CG 3.75Å
79A98.9Very high98.1Very high0 Ų031.4 Ų31.40%017%0.171CC..EExtended strand (participates in β ladder)trans-149.5152.3173.900000112A91 V92 P101 I102 A105 T184A79-A91 CarbonylContact O-C 3.56Å; A79-A91 VanDerWaalsContact O-CA 3.24Å; A79-A91 WeakPolarHBondContact O-CA 3.46Å; A79-V92 HydrophobicContact CB-CG2 4.23Å; A79-V92 PolarHBondContact N-O 3.33Å; A79-V92 PolarHBondContact O-N 2.78Å; A79-P101 HydrophobicContact CB-CB 3.77Å; A79-I102 HydrophobicContact CB-CD1 4.19Å; A79-A105 HydrophobicContact CB-CB 4.26Å; A79-T184 CarbonylContact C-O 3.57Å; A79-T184 WeakPolarHBondContact CA-O 3.45Å; A79-T184 WeakPolarHBondContact CB-O 3.36Å
80S98.9Very high98.2Very high0 Ų031.2 Ų31.20%017%0.17CC..EExtended strand (participates in β ladder)trans-143.8153.2167.561.70000112.2G90 I102 Y182 A183 T184 S200S80-G90 CarbonylContact C-O 3.55Å; S80-G90 VanDerWaalsContact CA-O 3.28Å; S80-G90 WeakPolarHBondContact CA-O 3.19Å; S80-I102 VanDerWaalsContact O-CD1 3.26Å; S80-I102 WeakPolarHBondContact O-CD1 3.45Å; S80-Y182 WeakPolarHBondContact CB-OH 3.16Å; S80-Y182 WeakPolarHBondContact OG-CE2 2.91Å; S80-Y182 PolarHBondContact OG-OH 2.77Å; S80-A183 CarbonylContact O-C 3.37Å; S80-A183 WeakPolarHBondContact O-CA 3.22Å; S80-T184 PolarHBondContact N-O 3.02Å; S80-T184 PolarHBondContact O-N 3.06Å; S80-S200 WeakPolarHBondContact CB-O 3.35Å; S80-S200 PolarHBondContact OG-O 3.06Å
81I99Very high98.3Very high0 Ų031.2 Ų31.20%017%0.17CC..EExtended strand (participates in β ladder)trans-141.2146.7176.1-168.8167.9000109V45 V48 E49 A89 G90 I102 A105 R106 M109 Y182 A183V45-I81 HydrophobicContact CG1-CD1 3.89Å; V48-I81 HydrophobicContact CG2-CD1 4.14Å; V48-I81 HydrophobicContact CG2-CG1 4.27Å; E49-I81 HydrophobicContact CB-CD1 4.17Å; I81-A89 WeakPolarHBondContact O-CA 3.4Å; I81-G90 PolarHBondContact N-O 2.91Å; I81-G90 PolarHBondContact O-N 3.09Å; I81-I102 HydrophobicContact CB-CD1 4.03Å; I81-A105 HydrophobicContact CG2-CB 4.16Å; I81-R106 HydrophobicContact CD1-CB 4.42Å; I81-R106 HydrophobicContact CG2-CB 4.19Å; I81-M109 HydrophobicContact CG2-SD 4.26Å; I81-Y182 WeakPolarHBondContact CA-O 3.45Å; I81-Y182 WeakPolarHBondContact CG1-O 3.45Å; I81-A183 HydrophobicContact CD1-CB 4.42Å; I81-A183 HydrophobicContact CG1-CB 4.25Å
82M98.9Very high98.5Very high4 Ų429 Ų292%0.0216%0.157CC..EExtended strand (participates in β ladder)trans-147.1135.3178.5-173.4173.3-176.600111.5L87 S88 A89 A181 Y182 Y208 A209M82-L87 HydrophobicContact CE-CB 3.61Å; M82-L87 HydrophobicContact CE-CD2 3.68Å; M82-L87 HydrophobicContact CE-CG 4.19Å; M82-S88 CarbonylContact C-O 3.5Å; M82-S88 WeakPolarHBondContact CA-O 3.38Å; M82-S88 WeakPolarHBondContact CG-O 3.36Å; M82-A89 HydrophobicContact CB-CB 4.14Å; M82-A89 HydrophobicContact CG-CB 3.95Å; M82-A89 HydrophobicContact SD-CB 4.47Å; M82-A181 VanDerWaalsContact O-CA 3.31Å; M82-A181 WeakPolarHBondContact O-CA 3.14Å; M82-A181 WeakPolarHBondContact O-CB 3.29Å; M82-Y182 HydrophobicContact CB-CD1 3.62Å; M82-Y182 HydrophobicContact CB-CE1 3.26Å; M82-Y182 HydrophobicContact CG-CE1 4.24Å; M82-Y182 PolarHBondContact N-O 3.27Å; M82-Y182 VanDerWaalsContact N-O 3.12Å; M82-Y182 PolarHBondContact O-N 2.88Å; M82-Y182 HydrophobicContact SD-CE1 4.07Å; M82-Y208 HydrophobicContact CE-CD2 4.48Å; M82-Y208 HydrophobicContact CE-CE1 4.16Å; M82-Y208 HydrophobicContact CE-CE2 4.03Å; M82-Y208 HydrophobicContact SD-CD2 4.05Å; M82-Y208 HydrophobicContact SD-CE2 4.15Å; M82-Y208 HydrophobicContact SD-CG 4.26Å; M82-A209 HydrophobicContact CB-CB 4.33Å; M82-A209 VanDerWaalsContact CE-O 3.31Å; M82-A209 WeakPolarHBondContact CE-O 3.16Å; M82-A209 HydrophobicContact CG-CB 4.28Å
83D98.9Very high98.6Very high28 Ų2824.2 Ų24.215%0.1513%0.131CC..EExtended strand (participates in β ladder)trans-90.2119.2168.9-168.4-16.7000109.5V45 K85 L87 S88V45-D83 HydrophobicContact CG2-CB 3.61Å; D83-K85 PolarHBondContact O-N 2.93Å; D83-K85 WeakPolarHBondContact OD1-CB 3.45Å; D83-K85 PolarHBondContact OD1-N 3.46Å; D83-L87 WeakPolarHBondContact O-CA 3.21Å; D83-L87 PolarHBondContact O-N 3.21Å; D83-S88 PolarHBondContact N-O 3.45Å
84G98.7Very high98.6Very high2 Ų223.1 Ų23.12%0.02112%0.119CC..THydrogen-bonded Turntrans-70-12.8177.900000113.8V180 N211G84-V180 WeakPolarHBondContact CA-O 3.26Å; G84-V180 PolarHBondContact N-O 3.31Å; G84-N211 VanDerWaalsContact C-OD1 3.24Å; G84-N211 WeakPolarHBondContact O-CB 3.49Å; G84-N211 PolarHBondContact O-N 3.44Å; G84-N211 PolarHBondContact O-OD1 3.08Å
85K98.6Very high98.6Very high134 Ų13419.4 Ų19.458%0.58310%0.102SC*.THydrogen-bonded Turntrans-67.8-43.3-179-178-171.8167.9-156.30113.4D83 N179 N211D83-K85 PolarHBondContact O-N 2.93Å; D83-K85 WeakPolarHBondContact OD1-CB 3.45Å; D83-K85 PolarHBondContact OD1-N 3.46Å; K85-N179 HydrophobicContact CB-CB 4.48Å; K85-N211 WeakPolarHBondContact CA-ND2 3.34Å; K85-N211 PolarHBondContact N-OD1 2.79Å
86D98.3Very high98.6Very high100 Ų10022.1 Ų22.154%0.53512%0.115SC..THydrogen-bonded Turntrans-132.78.5-176.762.47.3000113S88D86-S88 PolarHBondContact O-N 3.48Å; D86-S88 WeakPolarHBondContact OD1-CB 3.42Å; D86-S88 PolarHBondContact OD1-N 3.31Å; D86-S88 PolarHBondContact OD1-OG 2.54Å
87L98.5Very high98.6Very high75 Ų7523.3 Ų23.339%0.39312%0.123SC..  trans60.317.9-177.3-47.9-179.7000113.2M82 D83 A89 A209 D210M82-L87 HydrophobicContact CE-CB 3.61Å; M82-L87 HydrophobicContact CE-CD2 3.68Å; M82-L87 HydrophobicContact CE-CG 4.19Å; D83-L87 WeakPolarHBondContact O-CA 3.21Å; D83-L87 PolarHBondContact O-N 3.21Å; L87-A89 PolarHBondContact O-N 2.83Å; L87-A209 WeakPolarHBondContact CD2-O 3.3Å; L87-D210 HydrophobicContact CD2-CB 4.03Å
88S98.7Very high98.6Very high36 Ų3623.8 Ų23.825%0.25213%0.125SC..  trans-60.7135169.859.60000109.3M82 D83 D86 M109M82-S88 CarbonylContact C-O 3.5Å; M82-S88 WeakPolarHBondContact CA-O 3.38Å; M82-S88 WeakPolarHBondContact CG-O 3.36Å; D83-S88 PolarHBondContact N-O 3.45Å; D86-S88 PolarHBondContact O-N 3.48Å; D86-S88 WeakPolarHBondContact OD1-CB 3.42Å; D86-S88 PolarHBondContact OD1-N 3.31Å; D86-S88 PolarHBondContact OD1-OG 2.54Å; S88-M109 VanDerWaalsContact O-SD 3.42Å
89A98.8Very high98.6Very high7 Ų725.4 Ų25.46%0.05814%0.139CC..EExtended strand (participates in β ladder)trans-144.7151-174.600000110.9I81 M82 L87 L203I81-A89 WeakPolarHBondContact O-CA 3.4Å; M82-A89 HydrophobicContact CB-CB 4.14Å; M82-A89 HydrophobicContact CG-CB 3.95Å; M82-A89 HydrophobicContact SD-CB 4.47Å; L87-A89 PolarHBondContact O-N 2.83Å; A89-L203 HydrophobicContact CB-CD1 3.48Å; A89-L203 VanDerWaalsContact CB-CD1 3.48Å; A89-L203 HydrophobicContact CB-CD2 3.96Å; A89-L203 HydrophobicContact CB-CG 4.38Å
90G98.9Very high98.6Very high0 Ų026.2 Ų26.20%014%0.143CC..EExtended strand (participates in β ladder)trans-142.9142.417400000110.6S80 I81 A105 C115S80-G90 CarbonylContact C-O 3.55Å; S80-G90 VanDerWaalsContact CA-O 3.28Å; S80-G90 WeakPolarHBondContact CA-O 3.19Å; I81-G90 PolarHBondContact N-O 2.91Å; I81-G90 PolarHBondContact O-N 3.09Å; G90-A105 CarbonylContact C-O 3.49Å; G90-A105 VanDerWaalsContact CA-O 3.3Å; G90-A105 WeakPolarHBondContact CA-O 3.47Å; G90-C115 CarbonylContact C-O 3.59Å; G90-C115 WeakPolarHBondContact CA-O 3.31Å
91A98.9Very high98.6Very high0 Ų026.2 Ų26.20%014%0.143CC..EExtended strand (participates in β ladder)trans-146.4147.8-176.600000110.7A79 C115 F116 L117 P201A79-A91 CarbonylContact O-C 3.56Å; A79-A91 VanDerWaalsContact O-CA 3.24Å; A79-A91 WeakPolarHBondContact O-CA 3.46Å; A91-C115 WeakPolarHBondContact CB-O 3.45Å; A91-C115 PolarHBondContact N-O 2.71Å; A91-F116 HydrophobicContact CB-CB 4.44Å; A91-F116 HydrophobicContact CB-CD1 3.74Å; A91-F116 HydrophobicContact CB-CE1 4.13Å; A91-F116 HydrophobicContact CB-CG 4.04Å; A91-F116 WeakPolarHBondContact O-CA 3.36Å; A91-L117 PolarHBondContact O-N 3.24Å; A91-P201 HydrophobicContact CB-CB 4.23Å; A91-P201 WeakPolarHBondContact CB-O 3.46Å
92V98.9Very high98.6Very high0 Ų026.2 Ų26.20%014%0.143CC..EExtended strand (participates in β ladder)trans-132.8146.9170.2-65.80000111.2D78 A79 V95 P101 L104 A105 V108 L117 A122 P201D78-V92 CarbonylContact C-O 3.21Å; D78-V92 WeakPolarHBondContact CA-O 3.48Å; A79-V92 HydrophobicContact CB-CG2 4.23Å; A79-V92 PolarHBondContact N-O 3.33Å; A79-V92 PolarHBondContact O-N 2.78Å; V92-V95 HydrophobicContact CB-CG1 3.78Å; V92-V95 HydrophobicContact CG1-CG1 4.47Å; V92-V95 HydrophobicContact CG2-CG1 4.12Å; V92-V95 HydrophobicContact CG2-CG2 4.02Å; V92-P101 HydrophobicContact CG2-CB 4.49Å; V92-L104 HydrophobicContact CB-CD2 4.42Å; V92-L104 HydrophobicContact CG1-CB 4.46Å; V92-L104 HydrophobicContact CG1-CD2 3.8Å; V92-L104 HydrophobicContact CG1-CG 3.79Å; V92-L104 HydrophobicContact CG2-CD2 4.44Å; V92-A105 HydrophobicContact CG2-CB 4.37Å; V92-V108 HydrophobicContact CG1-CG2 3.89Å; V92-L117 VanDerWaalsContact CA-O 3.24Å; V92-L117 WeakPolarHBondContact CA-O 3.45Å; V92-A122 HydrophobicContact CG1-CB 4.26Å; V92-P201 WeakPolarHBondContact O-CB 3.4Å
93S98.7Very high98.6Very high3 Ų330.2 Ų30.22%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-136.4156.3172.568.30000113.4M77 D78 V95 F116 L117 T118 D119M77-S93 CarbonylContact O-C 3.57Å; D78-S93 WeakPolarHBondContact OD1-CA 3.48Å; D78-S93 VanDerWaalsContact OD1-CB 3.26Å; D78-S93 WeakPolarHBondContact OD1-CB 3.26Å; S93-V95 PolarHBondContact O-N 2.98Å; S93-V95 VanDerWaalsContact O-N 3.1Å; S93-F116 WeakPolarHBondContact OG-CE2 3.49Å; S93-F116 WeakPolarHBondContact OG-CZ 3.23Å; S93-L117 PolarHBondContact N-O 3.36Å; S93-T118 WeakPolarHBondContact O-CA 3.32Å; S93-T118 PolarHBondContact O-OG1 3.19Å; S93-T118 WeakPolarHBondContact OG-CB 3.08Å; S93-T118 PolarHBondContact OG-OG1 3.43Å; S93-D119 PolarHBondContact O-N 2.95Å
94A98Very high98.6Very high5 Ų528.9 Ų28.94%0.04115%0.153CC..EExtended strand (participates in β ladder)trans50.930.4-17900000113.2M77 D78 D119M77-A94 PolarHBondContact O-N 3.42Å; M77-A94 VanDerWaalsContact O-N 3.08Å; D78-A94 PolarHBondContact OD1-N 2.9Å; A94-D119 HydrophobicContact CB-CB 4.45Å
95V98.5Very high98.6Very high3 Ų328.8 Ų28.82%0.01815%0.152CC..EExtended strand (participates in β ladder)trans-79.3144.5178.6-63.80000110.5E76 M77 V92 S93 P101 L104 A122E76-V95 WeakPolarHBondContact CA-O 3.35Å; M77-V95 HydrophobicContact CB-CG2 4.15Å; M77-V95 PolarHBondContact N-O 2.64Å; M77-V95 WeakPolarHBondContact O-CG2 3.26Å; M77-V95 PolarHBondContact O-N 3.21Å; V92-V95 HydrophobicContact CB-CG1 3.78Å; V92-V95 HydrophobicContact CG1-CG1 4.47Å; V92-V95 HydrophobicContact CG2-CG1 4.12Å; V92-V95 HydrophobicContact CG2-CG2 4.02Å; S93-V95 PolarHBondContact O-N 2.98Å; S93-V95 VanDerWaalsContact O-N 3.1Å; V95-P101 HydrophobicContact CG2-CB 4.22Å; V95-P101 HydrophobicContact CG2-CG 4.37Å; V95-L104 HydrophobicContact CG1-CD2 4.12Å; V95-A122 HydrophobicContact CG1-CB 3.51Å
96Q98.2Very high98.6Very high64 Ų6424.3 Ų24.330%0.29913%0.132SC..  trans-126.8165-179.9-51.4-166.9-6.800110V75 E76 I98V75-Q96 WeakPolarHBondContact O-CG 3.2Å; E76-Q96 HydrophobicContact CG-CG 4.08Å; Q96-I98 PolarHBondContact O-N 3.2Å; Q96-I98 VanDerWaalsContact O-N 3.11Å
97C97.9Very high98.6Very high29 Ų2921.4 Ų21.420%0.19612%0.116CC..SBendtrans57.727.7169.4-58.70000115.8E133 I134C97-E133 HydrophobicContact CB-CG 3.78Å; C97-E133 CarbonylContact O-C 3.59Å; C97-E133 WeakPolarHBondContact O-CA 3.33Å; C97-I134 WeakPolarHBondContact CA-O 3.13Å; C97-I134 WeakPolarHBondContact CB-O 3.05Å; C97-I134 WeakPolarHBondContact O-CG1 3.28Å; C97-I134 PolarHBondContact O-N 2.98Å
98I98.1Very high98.6Very high9 Ų917.9 Ų17.95%0.04610%0.097CC..BIsolated β-bridgetrans-127.8133.8177.9-65.3173000109M77 Q96 L104 A126 V131M77-I98 VanDerWaalsContact CE-O 3.31Å; M77-I98 WeakPolarHBondContact CE-O 3.35Å; Q96-I98 PolarHBondContact O-N 3.2Å; Q96-I98 VanDerWaalsContact O-N 3.11Å; I98-L104 HydrophobicContact CD1-CD2 3.64Å; I98-A126 HydrophobicContact CD1-CB 3.59Å; I98-V131 HydrophobicContact CD1-CG1 4.5Å; I98-V131 HydrophobicContact CG1-CG1 4.46Å; I98-V131 HydrophobicContact CG2-CG1 3.89Å
99A98.1Very high98.6Very high34 Ų3417.3 Ų17.328%0.2819%0.091SC..SBendtrans-65-46.9-177.100000112.9P101 I134A99-P101 WeakPolarHBondContact O-CD 3.38Å; A99-I134 HydrophobicContact CB-CD1 3.94Å
100N98.7Very high98.6Very high17 Ų1721.2 Ų21.29%0.09111%0.108CC..  trans-125.288.3-173.5-57.3126.5000111.6V53 E56 D57 I102 K103V53-N100 HydrophobicContact CG2-CB 4.44Å; E56-N100 WeakPolarHBondContact OE2-CA 3.47Å; E56-N100 WeakPolarHBondContact OE2-CB 3.01Å; E56-N100 PolarHBondContact OE2-ND2 2.84Å; D57-N100 PolarHBondContact OD1-ND2 3.35Å; N100-I102 PolarHBondContact O-N 2.81Å; N100-K103 HydrophobicContact CB-CB 4.29Å; N100-K103 HydrophobicContact CB-CD 3.89Å; N100-K103 HydrophobicContact CB-CG 3.93Å; N100-K103 PolarHBondContact O-N 3.28Å; N100-K103 VanDerWaalsContact O-N 3.17Å; N100-K103 PolarHBondContact OD1-NZ 2.94Å
101P98.7Very high98.6Very high0 Ų027.3 Ų27.30%014%0.135CC..Hα-helixtrans-50.9-35174.4-29.334.5000114.3E56 M77 A79 V92 V95 A99 K103 L104 A105E56-P101 VanDerWaalsContact OE1-CD 3.31Å; E56-P101 WeakPolarHBondContact OE1-CD 3.3Å; M77-P101 HydrophobicContact CB-CB 4.27Å; M77-P101 HydrophobicContact CB-CG 3.59Å; M77-P101 HydrophobicContact CE-CG 3.65Å; M77-P101 HydrophobicContact CG-CG 4.1Å; M77-P101 HydrophobicContact SD-CG 3.47Å; M77-P101 WeakPolarHBondContact SD-CG 3.34Å; A79-P101 HydrophobicContact CB-CB 3.77Å; V92-P101 HydrophobicContact CG2-CB 4.49Å; V95-P101 HydrophobicContact CG2-CB 4.22Å; V95-P101 HydrophobicContact CG2-CG 4.37Å; A99-P101 WeakPolarHBondContact O-CD 3.38Å; P101-K103 VanDerWaalsContact C-N 3.31Å; P101-K103 PolarHBondContact O-N 3.28Å; P101-L104 WeakPolarHBondContact O-CB 3.28Å; P101-L104 PolarHBondContact O-N 3.18Å; P101-L104 VanDerWaalsContact O-N 3.14Å; P101-A105 PolarHBondContact O-N 3.4Å
102I98.9Very high98.6Very high0 Ų028.7 Ų28.70%014%0.143CC..Hα-helixtrans-63.5-35.5-179.5-161.962.6000113.2E49 V52 V53 E56 A79 S80 I81 N100 L104 A105 R106 A183E49-I102 HydrophobicContact CG-CG2 4.26Å; V52-I102 HydrophobicContact CB-CB 4.45Å; V52-I102 HydrophobicContact CB-CG1 4.21Å; V52-I102 HydrophobicContact CB-CG2 4.29Å; V52-I102 HydrophobicContact CG1-CB 3.77Å; V52-I102 HydrophobicContact CG1-CD1 4.42Å; V52-I102 HydrophobicContact CG1-CG1 3.91Å; V52-I102 HydrophobicContact CG1-CG2 3.88Å; V53-I102 HydrophobicContact CG2-CG2 3.6Å; E56-I102 PolarHBondContact OE1-N 3.02Å; E56-I102 VanDerWaalsContact OE2-CG2 3.28Å; E56-I102 WeakPolarHBondContact OE2-CG2 3.4Å; A79-I102 HydrophobicContact CB-CD1 4.19Å; S80-I102 VanDerWaalsContact O-CD1 3.26Å; S80-I102 WeakPolarHBondContact O-CD1 3.45Å; I81-I102 HydrophobicContact CB-CD1 4.03Å; N100-I102 PolarHBondContact O-N 2.81Å; I102-L104 VanDerWaalsContact C-N 3.31Å; I102-L104 PolarHBondContact O-N 2.9Å; I102-A105 HydrophobicContact CD1-CB 4.49Å; I102-A105 WeakPolarHBondContact O-CB 3.36Å; I102-A105 PolarHBondContact O-N 2.89Å; I102-R106 PolarHBondContact O-N 3.38Å; I102-A183 HydrophobicContact CD1-CB 3.67Å; I102-A183 HydrophobicContact CG1-CB 3.94Å
103K98.8Very high98.5Very high89 Ų8934.5 Ų34.539%0.38718%0.181SC..Hα-helixtrans-66.1-36.8175.7-67.8-176.8180153.20111.2E49 V53 N100 P101 R106 L107E49-K103 HydrophobicContact CG-CG 4.45Å; V53-K103 HydrophobicContact CG2-CD 4.35Å; V53-K103 HydrophobicContact CG2-CG 3.99Å; N100-K103 HydrophobicContact CB-CB 4.29Å; N100-K103 HydrophobicContact CB-CD 3.89Å; N100-K103 HydrophobicContact CB-CG 3.93Å; N100-K103 PolarHBondContact O-N 3.28Å; N100-K103 VanDerWaalsContact O-N 3.17Å; N100-K103 PolarHBondContact OD1-NZ 2.94Å; P101-K103 VanDerWaalsContact C-N 3.31Å; P101-K103 PolarHBondContact O-N 3.28Å; K103-R106 PolarHBondContact O-N 2.92Å; K103-L107 WeakPolarHBondContact O-CG 3.38Å; K103-L107 PolarHBondContact O-N 2.98Å
104L98.8Very high98.5Very high0 Ų039.7 Ų39.70%020%0.204CC..Hα-helixtrans-68-41.5174.5-175.364.7000111.2V92 V95 I98 P101 I102 R106 L107 V108 A122 F125 A126 V131V92-L104 HydrophobicContact CB-CD2 4.42Å; V92-L104 HydrophobicContact CG1-CB 4.46Å; V92-L104 HydrophobicContact CG1-CD2 3.8Å; V92-L104 HydrophobicContact CG1-CG 3.79Å; V92-L104 HydrophobicContact CG2-CD2 4.44Å; V95-L104 HydrophobicContact CG1-CD2 4.12Å; I98-L104 HydrophobicContact CD1-CD2 3.64Å; P101-L104 WeakPolarHBondContact O-CB 3.28Å; P101-L104 PolarHBondContact O-N 3.18Å; P101-L104 VanDerWaalsContact O-N 3.14Å; I102-L104 VanDerWaalsContact C-N 3.31Å; I102-L104 PolarHBondContact O-N 2.9Å; L104-R106 VanDerWaalsContact C-N 3.29Å; L104-R106 PolarHBondContact O-N 3.16Å; L104-L107 HydrophobicContact CD1-CD1 4.43Å; L104-L107 WeakPolarHBondContact O-CB 3.25Å; L104-L107 PolarHBondContact O-N 2.91Å; L104-L107 VanDerWaalsContact O-N 3.14Å; L104-V108 WeakPolarHBondContact O-CG2 3.23Å; L104-V108 PolarHBondContact O-N 2.98Å; L104-A122 HydrophobicContact CD2-CB 4.41Å; L104-F125 HydrophobicContact CD1-CD1 3.81Å; L104-F125 HydrophobicContact CD1-CE1 4.1Å; L104-A126 HydrophobicContact CD1-CB 3.6Å; L104-A126 HydrophobicContact CD2-CB 4Å; L104-A126 HydrophobicContact CG-CB 4.46Å; L104-V131 HydrophobicContact CD1-CG2 4.28Å
105A98.9Very high98.6Very high0 Ų042.7 Ų42.70%023%0.225CC..Hα-helixtrans-57.7-42.7173.400000111.4A79 I81 G90 V92 P101 I102 L107 V108 M109A79-A105 HydrophobicContact CB-CB 4.26Å; I81-A105 HydrophobicContact CG2-CB 4.16Å; G90-A105 CarbonylContact C-O 3.49Å; G90-A105 VanDerWaalsContact CA-O 3.3Å; G90-A105 WeakPolarHBondContact CA-O 3.47Å; V92-A105 HydrophobicContact CG2-CB 4.37Å; P101-A105 PolarHBondContact O-N 3.4Å; I102-A105 HydrophobicContact CD1-CB 4.49Å; I102-A105 WeakPolarHBondContact O-CB 3.36Å; I102-A105 PolarHBondContact O-N 2.89Å; A105-L107 PolarHBondContact O-N 2.84Å; A105-V108 WeakPolarHBondContact O-CB 3.29Å; A105-V108 PolarHBondContact O-N 2.94Å; A105-M109 PolarHBondContact O-N 3.33Å; A105-M109 VanDerWaalsContact O-N 3.14Å
106R98.9Very high98.6Very high40 Ų4046.4 Ų46.415%0.15124%0.241CC..Hα-helixtrans-61.8-41.8173.6-173.4-179.3178.5159.26.6112.7D46 E49 I81 I102 K103 L104 V108 M109 E110D46-R106 IonicContact OD1-CZ 3.67Å; D46-R106 VanDerWaalsContact OD1-CZ 3.22Å; D46-R106 IonicContact OD1-NH1 2.91Å; D46-R106 PolarHBondContact OD1-NH1 3.03Å; D46-R106 IonicContact OD1-NH2 2.94Å; D46-R106 PolarHBondContact OD1-NH2 3.41Å; E49-R106 VanDerWaalsContact CD-CD 3.4Å; E49-R106 WeakPolarHBondContact OE1-CD 3.46Å; E49-R106 IonicContact OE2-CZ 2.78Å; E49-R106 IonicContact OE2-NE 2.91Å; E49-R106 IonicContact OE2-NH1 2.83Å; E49-R106 PolarHBondContact OE2-NH1 3.01Å; I81-R106 HydrophobicContact CD1-CB 4.42Å; I81-R106 HydrophobicContact CG2-CB 4.19Å; I102-R106 PolarHBondContact O-N 3.38Å; K103-R106 PolarHBondContact O-N 2.92Å; L104-R106 VanDerWaalsContact C-N 3.29Å; L104-R106 PolarHBondContact O-N 3.16Å; R106-V108 VanDerWaalsContact C-N 3.29Å; R106-V108 PolarHBondContact O-N 3.4Å; R106-M109 HydrophobicContact CG-CE 4.24Å; R106-M109 WeakPolarHBondContact O-CB 3.32Å; R106-M109 PolarHBondContact O-N 3.13Å; R106-E110 HydrophobicContact CG-CG 4.38Å; R106-E110 IonicContact CZ-OE1 2.54Å; R106-E110 IonicContact NE-OE1 3.68Å; R106-E110 PolarHBondContact NE-OE1 2.83Å; R106-E110 IonicContact NH2-OE1 3.3Å; R106-E110 PolarHBondContact NH2-OE1 3.07Å; R106-E110 PolarHBondContact O-N 2.87Å
107L98.8Very high98.6Very high39 Ų3945 Ų4520%0.20424%0.235CC..Hα-helixtrans-61.7-37.5175-74168.9000112.3K103 L104 A105 M109 E110 K111 F125 M129 V131K103-L107 WeakPolarHBondContact O-CG 3.38Å; K103-L107 PolarHBondContact O-N 2.98Å; L104-L107 HydrophobicContact CD1-CD1 4.43Å; L104-L107 WeakPolarHBondContact O-CB 3.25Å; L104-L107 PolarHBondContact O-N 2.91Å; L104-L107 VanDerWaalsContact O-N 3.14Å; A105-L107 PolarHBondContact O-N 2.84Å; L107-M109 VanDerWaalsContact C-N 3.35Å; L107-E110 PolarHBondContact O-N 3.3Å; L107-K111 HydrophobicContact CD2-CG 4.09Å; L107-K111 VanDerWaalsContact O-CB 3.28Å; L107-K111 WeakPolarHBondContact O-CB 3.23Å; L107-K111 PolarHBondContact O-N 3.13Å; L107-F125 HydrophobicContact CB-CE1 3.83Å; L107-F125 HydrophobicContact CB-CZ 4.13Å; L107-M129 HydrophobicContact CD1-CB 3.93Å; L107-M129 HydrophobicContact CD1-CG 4.35Å; L107-V131 HydrophobicContact CD1-CG2 3.39Å
108V98.9Very high98.6Very high0 Ų046.9 Ų46.90%025%0.246CC..Hα-helixtrans-59.7-47.7174.2172.80000110.4V92 L104 A105 R106 E110 T112 H114 L117 F125V92-V108 HydrophobicContact CG1-CG2 3.89Å; L104-V108 WeakPolarHBondContact O-CG2 3.23Å; L104-V108 PolarHBondContact O-N 2.98Å; A105-V108 WeakPolarHBondContact O-CB 3.29Å; A105-V108 PolarHBondContact O-N 2.94Å; R106-V108 VanDerWaalsContact C-N 3.29Å; R106-V108 PolarHBondContact O-N 3.4Å; V108-E110 PolarHBondContact O-N 3.44Å; V108-T112 PolarHBondContact O-N 2.99Å; V108-T112 PolarHBondContact O-OG1 2.94Å; V108-H114 WeakPolarHBondContact CG1-O 3.2Å; V108-L117 HydrophobicContact CG1-CG 4.37Å; V108-L117 HydrophobicContact CG2-CB 4.34Å; V108-L117 HydrophobicContact CG2-CD1 3.89Å; V108-L117 HydrophobicContact CG2-CG 4.03Å; V108-F125 HydrophobicContact CB-CE1 4.44Å; V108-F125 HydrophobicContact CG2-CD1 3.93Å; V108-F125 HydrophobicContact CG2-CE1 3.67Å
109M98.8Very high98.6Very high24 Ų2450.3 Ų50.312%0.11826%0.264CS..Hα-helixtrans-57.3-45.3177.3-174.5174.976.600112.6V45 I81 S88 A105 R106 L107V45-M109 HydrophobicContact CG1-CE 3.96Å; I81-M109 HydrophobicContact CG2-SD 4.26Å; S88-M109 VanDerWaalsContact O-SD 3.42Å; A105-M109 PolarHBondContact O-N 3.33Å; A105-M109 VanDerWaalsContact O-N 3.14Å; R106-M109 HydrophobicContact CG-CE 4.24Å; R106-M109 WeakPolarHBondContact O-CB 3.32Å; R106-M109 PolarHBondContact O-N 3.13Å; L107-M109 VanDerWaalsContact C-N 3.35Å
110E98.6Very high98.5Very high89 Ų8955 Ų5542%0.41628%0.28SS..Hα-helixtrans-91.6-25.2-169.4-68.3-176.4179.900114.7R106 L107 V108R106-E110 HydrophobicContact CG-CG 4.38Å; R106-E110 IonicContact CZ-OE1 2.54Å; R106-E110 IonicContact NE-OE1 3.68Å; R106-E110 PolarHBondContact NE-OE1 2.83Å; R106-E110 IonicContact NH2-OE1 3.3Å; R106-E110 PolarHBondContact NH2-OE1 3.07Å; R106-E110 PolarHBondContact O-N 2.87Å; L107-E110 PolarHBondContact O-N 3.3Å; V108-E110 PolarHBondContact O-N 3.44Å
111K98.6Very high98.5Very high129 Ų12956 Ų5656%0.56129%0.294SS*.Hα-helixtrans-1171.5-168.9-52-60.4177.1-162.10114L107 F125 M129L107-K111 HydrophobicContact CD2-CG 4.09Å; L107-K111 VanDerWaalsContact O-CB 3.28Å; L107-K111 WeakPolarHBondContact O-CB 3.23Å; L107-K111 PolarHBondContact O-N 3.13Å; K111-F125 HydrophobicContact CB-CE2 4.46Å; K111-F125 HydrophobicContact CB-CZ 4.11Å; K111-M129 HydrophobicContact CB-SD 3.97Å; K111-M129 HydrophobicContact CG-SD 4.01Å
112T98.6Very high98.5Very high29 Ų2956 Ų5618%0.17829%0.294CS..SBendtrans-132.9158.3179.784.70000111V108 H114 F125V108-T112 PolarHBondContact O-N 2.99Å; V108-T112 PolarHBondContact O-OG1 2.94Å; T112-H114 PolarHBondContact O-N 2.9Å; T112-H114 PolarHBondContact OG1-N 3.25Å; T112-H114 VanDerWaalsContact OG1-N 3.09Å; T112-H114 PolarHBondContact OG1-O 2.84Å; T112-F125 HydrophobicContact CG2-CD2 4.09Å; T112-F125 HydrophobicContact CG2-CE1 4.26Å; T112-F125 HydrophobicContact CG2-CE2 3.35Å; T112-F125 HydrophobicContact CG2-CZ 3.45Å; T112-F125 VanDerWaalsContact CG2-CZ 3.45Å
113P97.8Very high98.5Very high122 Ų12258.4 Ų58.479%0.79231%0.314SS*.SBendtrans-81.913.2168.835.9-36000112.5
114H98.5Very high98.5Very high111 Ų11160.6 Ų60.651%0.51433%0.326SS..  trans-119.4150.6-172.1-55.4-50.9000110.6V108 T112V108-H114 WeakPolarHBondContact CG1-O 3.2Å; T112-H114 PolarHBondContact O-N 2.9Å; T112-H114 PolarHBondContact OG1-N 3.25Å; T112-H114 VanDerWaalsContact OG1-N 3.09Å; T112-H114 PolarHBondContact OG1-O 2.84Å
115C98.6Very high98.5Very high69 Ų6962 Ų6247%0.46633%0.332SS..SBendtrans-92.1-16178.1-52.90000113.3G90 A91G90-C115 CarbonylContact C-O 3.59Å; G90-C115 WeakPolarHBondContact CA-O 3.31Å; A91-C115 WeakPolarHBondContact CB-O 3.45Å; A91-C115 PolarHBondContact N-O 2.71Å
116F98.5Very high98.4Very high81 Ų8162.1 Ų62.136%0.35533%0.333SS..EExtended strand (participates in β ladder)trans-148.4125.5-165.8-157.8128.2000111.1A91 S93 P201A91-F116 HydrophobicContact CB-CB 4.44Å; A91-F116 HydrophobicContact CB-CD1 3.74Å; A91-F116 HydrophobicContact CB-CE1 4.13Å; A91-F116 HydrophobicContact CB-CG 4.04Å; A91-F116 WeakPolarHBondContact O-CA 3.36Å; S93-F116 WeakPolarHBondContact OG-CE2 3.49Å; S93-F116 WeakPolarHBondContact OG-CZ 3.23Å; F116-P201 HydrophobicContact CE1-CB 3.7Å; F116-P201 HydrophobicContact CE1-CG 4.1Å; F116-P201 WeakPolarHBondContact CE1-O 3.33Å; F116-P201 HydrophobicContact CZ-CB 3.65Å; F116-P201 HydrophobicContact CZ-CG 3.87Å
117L98.8Very high98.4Very high35 Ų3563.7 Ų63.718%0.18336%0.355CS..EExtended strand (participates in β ladder)trans-120.2153165-61.5-177.7000111A91 V92 S93 V108 A122 F125A91-L117 PolarHBondContact O-N 3.24Å; V92-L117 VanDerWaalsContact CA-O 3.24Å; V92-L117 WeakPolarHBondContact CA-O 3.45Å; S93-L117 PolarHBondContact N-O 3.36Å; V108-L117 HydrophobicContact CG1-CG 4.37Å; V108-L117 HydrophobicContact CG2-CB 4.34Å; V108-L117 HydrophobicContact CG2-CD1 3.89Å; V108-L117 HydrophobicContact CG2-CG 4.03Å; L117-A122 HydrophobicContact CB-CB 3.85Å; L117-F125 HydrophobicContact CD1-CB 3.48Å; L117-F125 VanDerWaalsContact CD1-CB 3.48Å; L117-F125 HydrophobicContact CD1-CD1 3.59Å; L117-F125 HydrophobicContact CD1-CD2 4.19Å; L117-F125 HydrophobicContact CD1-CE1 4.37Å; L117-F125 HydrophobicContact CD1-CG 3.47Å; L117-F125 VanDerWaalsContact CD1-CG 3.47Å
118T98.6Very high98.4Very high68 Ų6865.4 Ų65.442%0.41737%0.374SS..EExtended strand (participates in β ladder)trans-135.9153-179.1-170.20000112S93 Q120 G121 A122S93-T118 WeakPolarHBondContact O-CA 3.32Å; S93-T118 PolarHBondContact O-OG1 3.19Å; S93-T118 WeakPolarHBondContact OG-CB 3.08Å; S93-T118 PolarHBondContact OG-OG1 3.43Å; T118-Q120 PolarHBondContact O-N 3.45Å; T118-G121 PolarHBondContact O-N 3.34Å; T118-A122 PolarHBondContact O-N 3.2Å; T118-A122 VanDerWaalsContact O-N 3.11Å
119D97.3Very high98.4Very high80 Ų8069.1 Ų69.143%0.42839%0.393SS..Hα-helixtrans48.1-127.6166.7-17630.8000112.1S93 A94 G121 A122 A123S93-D119 PolarHBondContact O-N 2.95Å; A94-D119 HydrophobicContact CB-CB 4.45Å; D119-G121 VanDerWaalsContact C-N 3.25Å; D119-G121 PolarHBondContact O-N 2.74Å; D119-A122 PolarHBondContact O-N 2.83Å; D119-A122 VanDerWaalsContact O-N 3.13Å; D119-A123 PolarHBondContact O-N 2.98Å
120Q97.5Very high98.4Very high134 Ų13470.9 Ų70.963%0.62642%0.417SS*.Hα-helixtrans-60.3-33.2-177.8-64.4-175.9-1.200113.2T118 A123 Q124T118-Q120 PolarHBondContact O-N 3.45Å; Q120-A123 PolarHBondContact O-N 2.98Å; Q120-Q124 WeakPolarHBondContact O-CB 3.37Å; Q120-Q124 VanDerWaalsContact O-CG 3.28Å; Q120-Q124 WeakPolarHBondContact O-CG 3.38Å; Q120-Q124 PolarHBondContact O-N 2.83Å
121G98.5Very high98.3Very high37 Ų3768.1 Ų68.138%0.38141%0.406SS..Hα-helixtrans-67-40.4177.700000111.9T118 D119 F125T118-G121 PolarHBondContact O-N 3.34Å; D119-G121 VanDerWaalsContact C-N 3.25Å; D119-G121 PolarHBondContact O-N 2.74Å; G121-F125 WeakPolarHBondContact O-CB 3.31Å; G121-F125 PolarHBondContact O-N 3.17Å; G121-F125 VanDerWaalsContact O-N 3.1Å
122A98.6Very high98.2Very high0 Ų066.7 Ų66.70%041%0.41CS..Hα-helixtrans-67.8-38.517400000111.8V92 V95 L104 L117 T118 D119 F125 A126V92-A122 HydrophobicContact CG1-CB 4.26Å; V95-A122 HydrophobicContact CG1-CB 3.51Å; L104-A122 HydrophobicContact CD2-CB 4.41Å; L117-A122 HydrophobicContact CB-CB 3.85Å; T118-A122 PolarHBondContact O-N 3.2Å; T118-A122 VanDerWaalsContact O-N 3.11Å; D119-A122 PolarHBondContact O-N 2.83Å; D119-A122 VanDerWaalsContact O-N 3.13Å; A122-F125 PolarHBondContact O-N 3.26Å; A122-A126 WeakPolarHBondContact O-CB 3.19Å; A122-A126 PolarHBondContact O-N 3.17Å
123A97.9Very high98.1Very high51 Ų5173 Ų7342%0.42144%0.437SS..Hα-helixtrans-64.6-44.1176.200000112.6D119 Q120 F125 A126 A127D119-A123 PolarHBondContact O-N 2.98Å; Q120-A123 PolarHBondContact O-N 2.98Å; A123-F125 VanDerWaalsContact C-N 3.31Å; A123-F125 PolarHBondContact O-N 2.98Å; A123-A126 WeakPolarHBondContact O-CB 3.3Å; A123-A126 PolarHBondContact O-N 3.09Å; A123-A127 PolarHBondContact O-N 2.98Å
124Q98.4Very high98.1Very high135 Ų13568.8 Ų68.863%0.63141%0.408SS*.Hα-helixtrans-61.1-42174.9-73.2172.42600111.6Q120 A127 A128Q120-Q124 WeakPolarHBondContact O-CB 3.37Å; Q120-Q124 VanDerWaalsContact O-CG 3.28Å; Q120-Q124 WeakPolarHBondContact O-CG 3.38Å; Q120-Q124 PolarHBondContact O-N 2.83Å; Q124-A127 PolarHBondContact O-N 3.3Å; Q124-A128 WeakPolarHBondContact O-CB 3.49Å; Q124-A128 PolarHBondContact O-N 2.83Å
125F98.7Very high98Very high28 Ų2866.7 Ų66.712%0.12340%0.404CS..Hα-helixtrans-64.5-43.3175.6176.4-109000112.1L104 L107 V108 K111 T112 L117 G121 A122 A123 A127 A128 M129L104-F125 HydrophobicContact CD1-CD1 3.81Å; L104-F125 HydrophobicContact CD1-CE1 4.1Å; L107-F125 HydrophobicContact CB-CE1 3.83Å; L107-F125 HydrophobicContact CB-CZ 4.13Å; V108-F125 HydrophobicContact CB-CE1 4.44Å; V108-F125 HydrophobicContact CG2-CD1 3.93Å; V108-F125 HydrophobicContact CG2-CE1 3.67Å; K111-F125 HydrophobicContact CB-CE2 4.46Å; K111-F125 HydrophobicContact CB-CZ 4.11Å; T112-F125 HydrophobicContact CG2-CD2 4.09Å; T112-F125 HydrophobicContact CG2-CE1 4.26Å; T112-F125 HydrophobicContact CG2-CE2 3.35Å; T112-F125 HydrophobicContact CG2-CZ 3.45Å; T112-F125 VanDerWaalsContact CG2-CZ 3.45Å; L117-F125 HydrophobicContact CD1-CB 3.48Å; L117-F125 VanDerWaalsContact CD1-CB 3.48Å; L117-F125 HydrophobicContact CD1-CD1 3.59Å; L117-F125 HydrophobicContact CD1-CD2 4.19Å; L117-F125 HydrophobicContact CD1-CE1 4.37Å; L117-F125 HydrophobicContact CD1-CG 3.47Å; L117-F125 VanDerWaalsContact CD1-CG 3.47Å; G121-F125 WeakPolarHBondContact O-CB 3.31Å; G121-F125 PolarHBondContact O-N 3.17Å; G121-F125 VanDerWaalsContact O-N 3.1Å; A122-F125 PolarHBondContact O-N 3.26Å; A123-F125 VanDerWaalsContact C-N 3.31Å; A123-F125 PolarHBondContact O-N 2.98Å; F125-A127 VanDerWaalsContact C-N 3.34Å; F125-A127 PolarHBondContact O-N 3.42Å; F125-A128 PolarHBondContact O-N 2.91Å; F125-M129 HydrophobicContact CD1-CG 4.41Å; F125-M129 HydrophobicContact CD2-CG 4.1Å; F125-M129 HydrophobicContact CE1-CG 3.96Å; F125-M129 HydrophobicContact CE2-CE 4.11Å; F125-M129 HydrophobicContact CE2-CG 3.6Å; F125-M129 HydrophobicContact CE2-SD 3.86Å; F125-M129 HydrophobicContact CG-CG 4.48Å; F125-M129 HydrophobicContact CZ-CG 3.53Å; F125-M129 HydrophobicContact CZ-SD 4Å; F125-M129 WeakPolarHBondContact O-CG 3.04Å; F125-M129 PolarHBondContact O-N 3.1Å
126A98.6Very high97.8Very high4 Ų464.4 Ų64.43%0.03339%0.392CS..Hα-helixtrans-56.3-48175.500000111.5I98 L104 A122 A123 A128 M129 G130 V131I98-A126 HydrophobicContact CD1-CB 3.59Å; L104-A126 HydrophobicContact CD1-CB 3.6Å; L104-A126 HydrophobicContact CD2-CB 4Å; L104-A126 HydrophobicContact CG-CB 4.46Å; A122-A126 WeakPolarHBondContact O-CB 3.19Å; A122-A126 PolarHBondContact O-N 3.17Å; A123-A126 WeakPolarHBondContact O-CB 3.3Å; A123-A126 PolarHBondContact O-N 3.09Å; A126-A128 PolarHBondContact O-N 3.36Å; A126-M129 PolarHBondContact O-N 3.48Å; A126-G130 PolarHBondContact O-N 2.88Å; A126-V131 HydrophobicContact CB-CB 4.02Å; A126-V131 HydrophobicContact CB-CG1 4.47Å; A126-V131 HydrophobicContact CB-CG2 4.38Å; A126-V131 WeakPolarHBondContact O-CB 3.08Å; A126-V131 PolarHBondContact O-N 2.93Å
127A98.4Very high97.7Very high73 Ų7367.7 Ų67.760%0.60341%0.409SS*.Hα-helixtrans-61.2-43.5176.200000112.1A123 Q124 F125 M129 G130A123-A127 PolarHBondContact O-N 2.98Å; Q124-A127 PolarHBondContact O-N 3.3Å; F125-A127 VanDerWaalsContact C-N 3.34Å; F125-A127 PolarHBondContact O-N 3.42Å; A127-M129 VanDerWaalsContact C-N 3.27Å; A127-M129 PolarHBondContact O-N 2.88Å; A127-G130 PolarHBondContact O-N 3.04Å
128A98.5Very high97.6Very high74 Ų7472.8 Ų72.861%0.61243%0.429SS*.Hα-helixtrans-63.3-31.3177.600000113.1Q124 F125 A126 G130Q124-A128 WeakPolarHBondContact O-CB 3.49Å; Q124-A128 PolarHBondContact O-N 2.83Å; F125-A128 PolarHBondContact O-N 2.91Å; A126-A128 PolarHBondContact O-N 3.36Å; A128-G130 VanDerWaalsContact C-N 3.32Å
129M98.4Very high97.5Very high79 Ų7969.7 Ų69.739%0.38941%0.41SS..THydrogen-bonded Turntrans-85.1-1.8175.7-64.1-60.29600113.6L107 K111 F125 A126 A127 V131L107-M129 HydrophobicContact CD1-CB 3.93Å; L107-M129 HydrophobicContact CD1-CG 4.35Å; K111-M129 HydrophobicContact CB-SD 3.97Å; K111-M129 HydrophobicContact CG-SD 4.01Å; F125-M129 HydrophobicContact CD1-CG 4.41Å; F125-M129 HydrophobicContact CD2-CG 4.1Å; F125-M129 HydrophobicContact CE1-CG 3.96Å; F125-M129 HydrophobicContact CE2-CE 4.11Å; F125-M129 HydrophobicContact CE2-CG 3.6Å; F125-M129 HydrophobicContact CE2-SD 3.86Å; F125-M129 HydrophobicContact CG-CG 4.48Å; F125-M129 HydrophobicContact CZ-CG 3.53Å; F125-M129 HydrophobicContact CZ-SD 4Å; F125-M129 WeakPolarHBondContact O-CG 3.04Å; F125-M129 PolarHBondContact O-N 3.1Å; A126-M129 PolarHBondContact O-N 3.48Å; A127-M129 VanDerWaalsContact C-N 3.27Å; A127-M129 PolarHBondContact O-N 2.88Å; M129-V131 VanDerWaalsContact C-N 3.35Å; M129-V131 HydrophobicContact CB-CG2 4.34Å
130G98.1Very high97.5Very high60 Ų6067.2 Ų67.262%0.61940%0.398SS*.THydrogen-bonded Turntrans74.521.9-178.500000114.2A126 A127 A128 P132A126-G130 PolarHBondContact O-N 2.88Å; A127-G130 PolarHBondContact O-N 3.04Å; A128-G130 VanDerWaalsContact C-N 3.32Å; G130-P132 WeakPolarHBondContact O-CD 3.43Å
131V98.1Very high97.4Very high31 Ų3161.9 Ų61.919%0.18838%0.375CS..PPolyproline II helixtrans-67.6125.3172.4178.80000108.6I98 L104 L107 A126 M129 E133I98-V131 HydrophobicContact CD1-CG1 4.5Å; I98-V131 HydrophobicContact CG1-CG1 4.46Å; I98-V131 HydrophobicContact CG2-CG1 3.89Å; L104-V131 HydrophobicContact CD1-CG2 4.28Å; L107-V131 HydrophobicContact CD1-CG2 3.39Å; A126-V131 HydrophobicContact CB-CB 4.02Å; A126-V131 HydrophobicContact CB-CG1 4.47Å; A126-V131 HydrophobicContact CB-CG2 4.38Å; A126-V131 WeakPolarHBondContact O-CB 3.08Å; A126-V131 PolarHBondContact O-N 2.93Å; M129-V131 VanDerWaalsContact C-N 3.35Å; M129-V131 HydrophobicContact CB-CG2 4.34Å; V131-E133 PolarHBondContact O-N 3.45Å
132P95.7Very high97.2Very high99 Ų9965.6 Ų65.664%0.64338%0.382SS*.PPolyproline II helixtrans-63.4124.9-179.5-23.334000112.1G130G130-P132 WeakPolarHBondContact O-CD 3.43Å
133E97.2Very high96.9Very high161 Ų16168 Ų6875%0.75239%0.391SS*.BIsolated β-bridgetrans-75.3133.6165.5-168.8177.7176.600109.4C97 V131C97-E133 HydrophobicContact CB-CG 3.78Å; C97-E133 CarbonylContact O-C 3.59Å; C97-E133 WeakPolarHBondContact O-CA 3.33Å; V131-E133 PolarHBondContact O-N 3.45Å
134I96.8Very high96.7Very high35 Ų3565.6 Ų65.618%0.17937%0.371CS..  trans-119.4147.9176.561.1163.6000110.2C97 A99 G136 L139C97-I134 WeakPolarHBondContact CA-O 3.13Å; C97-I134 WeakPolarHBondContact CB-O 3.05Å; C97-I134 WeakPolarHBondContact O-CG1 3.28Å; C97-I134 PolarHBondContact O-N 2.98Å; A99-I134 HydrophobicContact CB-CD1 3.94Å; I134-G136 PolarHBondContact O-N 3.37Å; I134-L139 HydrophobicContact CD1-CD1 4.22Å; I134-L139 HydrophobicContact CD1-CD2 3.65Å; I134-L139 HydrophobicContact CD1-CG 3.76Å
135P97Very high96.6Very high66 Ų6663.4 Ų63.443%0.42936%0.359SS..  trans-54.7129172.2-24.232.7000110.8E137 K138P135-E137 WeakPolarHBondContact CB-OE2 3.44Å; P135-E137 PolarHBondContact O-N 2.69Å; P135-E137 VanDerWaalsContact O-N 3.11Å; P135-K138 HydrophobicContact CB-CG 4.37Å; P135-K138 HydrophobicContact CG-CD 4.49Å; P135-K138 WeakPolarHBondContact O-CB 3.35Å; P135-K138 PolarHBondContact O-N 3.39Å
136G95Very high96.4Very high22 Ų2268.6 Ų68.623%0.22738%0.382CS..G310 helixtrans-56-30.9-177.500000112.7I134 K138 L139I134-G136 PolarHBondContact O-N 3.37Å; G136-K138 PolarHBondContact O-N 2.59Å; G136-L139 WeakPolarHBondContact O-CB 3.35Å; G136-L139 PolarHBondContact O-N 3.2Å
137E95.6Very high96Very high149 Ų14970.6 Ų70.670%0.69639%0.389SS*.G310 helixtrans-60.3-26.5176.9-58.876.7-168.200113P135 L139 V140P135-E137 WeakPolarHBondContact CB-OE2 3.44Å; P135-E137 PolarHBondContact O-N 2.69Å; P135-E137 VanDerWaalsContact O-N 3.11Å; E137-L139 PolarHBondContact O-N 3.36Å; E137-V140 PolarHBondContact O-N 3.07Å
138K96.3Very high95.8Very high143 Ų14367.6 Ų67.662%0.62236%0.363SS*.G310 helixtrans-69.5-22.3176.8-68.7-170.2179.6178.80113P135 G136P135-K138 HydrophobicContact CB-CG 4.37Å; P135-K138 HydrophobicContact CG-CD 4.49Å; P135-K138 WeakPolarHBondContact O-CB 3.35Å; P135-K138 PolarHBondContact O-N 3.39Å; G136-K138 PolarHBondContact O-N 2.59Å
139L97.4Very high95.6Very high3 Ų369.5 Ų69.52%0.01636%0.359CS..G310 helixtrans-85.4-16.7176-62.5172.8000112.2C65 G66 V75 M77 I134 G136 E137C65-L139 HydrophobicContact CB-CD2 4.33Å; G66-L139 PolarHBondContact N-O 2.68Å; G66-L139 VanDerWaalsContact N-O 3.08Å; V75-L139 HydrophobicContact CB-CB 4.38Å; V75-L139 HydrophobicContact CB-CD1 4.48Å; V75-L139 HydrophobicContact CG1-CB 4.32Å; V75-L139 HydrophobicContact CG1-CD1 4.07Å; V75-L139 HydrophobicContact CG2-CB 4.03Å; M77-L139 HydrophobicContact CE-CD1 3.64Å; M77-L139 HydrophobicContact SD-CD1 4.42Å; I134-L139 HydrophobicContact CD1-CD1 4.22Å; I134-L139 HydrophobicContact CD1-CD2 3.65Å; I134-L139 HydrophobicContact CD1-CG 3.76Å; G136-L139 WeakPolarHBondContact O-CB 3.35Å; G136-L139 PolarHBondContact O-N 3.2Å; E137-L139 PolarHBondContact O-N 3.36Å
140V96.9Very high95.3Very high27 Ų2770.9 Ų70.916%0.16436%0.363CS..  trans-87.4125-174.8-178.50000110.7L69 V75 E137 K145L69-V140 HydrophobicContact CD1-CG1 4.06Å; L69-V140 HydrophobicContact CD2-CB 4.46Å; L69-V140 HydrophobicContact CD2-CG1 4.07Å; L69-V140 HydrophobicContact CD2-CG2 3.82Å; V75-V140 HydrophobicContact CG2-CG2 3.91Å; E137-V140 PolarHBondContact O-N 3.07Å; V140-K145 HydrophobicContact CG1-CD 4.19Å; V140-K145 HydrophobicContact CG1-CG 3.64Å
141T95.1Very high94.9Very high23 Ų2370.5 Ų70.514%0.14135%0.345CS..  trans-97.9149.2172.265.80000111.5P59 R143 N144 K145P59-T141 HydrophobicContact CB-CG2 3.86Å; T141-R143 PolarHBondContact O-N 3.4Å; T141-R143 VanDerWaalsContact O-N 3.16Å; T141-N144 PolarHBondContact O-N 3.18Å; T141-N144 PolarHBondContact OG1-N 2.99Å; T141-N144 PolarHBondContact OG1-ND2 2.91Å; T141-K145 PolarHBondContact O-N 3.11Å
142E95.4Very high94.5Very high114 Ų11474 Ų7453%0.53336%0.357SS..Hα-helixtrans-55.9-31.7172.5-70.7-56.3121.400112.5K145 K146E142-K145 WeakPolarHBondContact OE1-CD 3.34Å; E142-K145 WeakPolarHBondContact OE1-CE 3.38Å; E142-K145 IonicContact OE1-NZ 3.96Å; E142-K145 PolarHBondContact OE1-NZ 3.25Å; E142-K146 WeakPolarHBondContact O-CG 3.35Å; E142-K146 PolarHBondContact O-N 3Å; E142-K146 VanDerWaalsContact O-N 3.11Å
143R91.7Very high94.2Very high51 Ų5177 Ų7719%0.19236%0.363CS..Hα-helixtrans-59.6-45.9172.9-178.3-174.469.6176.15.6111.6P59 E60 T141 R147P59-R143 VanDerWaalsContact O-CZ 3.24Å; P59-R143 PolarHBondContact O-NH1 3.45Å; P59-R143 PolarHBondContact O-NH2 3.37Å; E60-R143 PolarHBondContact O-NH1 3.39Å; E60-R143 PolarHBondContact O-NH2 3.4Å; E60-R143 VanDerWaalsContact O-NH2 3.08Å; E60-R143 IonicContact OE2-NH1 2.71Å; E60-R143 PolarHBondContact OE2-NH1 3.2Å; T141-R143 PolarHBondContact O-N 3.4Å; T141-R143 VanDerWaalsContact O-N 3.16Å; R143-R147 VanDerWaalsContact O-CG 3.28Å; R143-R147 WeakPolarHBondContact O-CG 3.31Å; R143-R147 PolarHBondContact O-N 2.99Å
144N93.8Very high93.5Very high1 Ų173 Ų731%0.00534%0.344CS..Hα-helixtrans-77.5-29.2-177.5-68.7-22.4000112.9G66 S67 L69 T141 R147 L148G66-N144 PolarHBondContact O-ND2 2.94Å; S67-N144 VanDerWaalsContact C-ND2 3.33Å; S67-N144 PolarHBondContact O-ND2 3.31Å; L69-N144 HydrophobicContact CG-CB 4.27Å; T141-N144 PolarHBondContact O-N 3.18Å; T141-N144 PolarHBondContact OG1-N 2.99Å; T141-N144 PolarHBondContact OG1-ND2 2.91Å; N144-R147 PolarHBondContact O-N 2.87Å; N144-R147 PolarHBondContact OD1-NH1 3.37Å; N144-R147 VanDerWaalsContact OD1-NH1 3.14Å; N144-L148 PolarHBondContact O-N 3.31Å
145K96Very high91.9Very high88 Ų8877.5 Ų77.538%0.38336%0.362SS..Hα-helixtrans-58.4-53.5167.5-67.3-178.3-174.6165.70111.3L69 V140 T141 E142 R147 L148 E149L69-K145 HydrophobicContact CD1-CG 4.25Å; V140-K145 HydrophobicContact CG1-CD 4.19Å; V140-K145 HydrophobicContact CG1-CG 3.64Å; T141-K145 PolarHBondContact O-N 3.11Å; E142-K145 WeakPolarHBondContact OE1-CD 3.34Å; E142-K145 WeakPolarHBondContact OE1-CE 3.38Å; E142-K145 IonicContact OE1-NZ 3.96Å; E142-K145 PolarHBondContact OE1-NZ 3.25Å; K145-R147 VanDerWaalsContact C-N 3.28Å; K145-R147 PolarHBondContact O-N 3.2Å; K145-L148 PolarHBondContact O-N 3.43Å; K145-L148 VanDerWaalsContact O-N 3.11Å; K145-E149 WeakPolarHBondContact O-CG 3.43Å; K145-E149 PolarHBondContact O-N 3.17Å
146K94.1Very high89.6Confident138 Ų13878.4 Ų78.460%0.638%0.384SS*.Hα-helixtrans-59.9-36.3177.3-71.1177.4-178.8179.10112.9E142 K150E142-K146 WeakPolarHBondContact O-CG 3.35Å; E142-K146 PolarHBondContact O-N 3Å; E142-K146 VanDerWaalsContact O-N 3.11Å; K146-K150 VanDerWaalsContact O-CB 3.29Å; K146-K150 WeakPolarHBondContact O-CB 3.31Å; K146-K150 PolarHBondContact O-N 3.47Å
147R90.7Very high87.2Confident45 Ų4580.5 Ų80.517%0.1740%0.399CS..Hα-helixtrans-65.4-44.7174.8-76.9172.3176.4174.4-5.2111.8R143 N144 K145 K150 E151 V190R143-R147 VanDerWaalsContact O-CG 3.28Å; R143-R147 WeakPolarHBondContact O-CG 3.31Å; R143-R147 PolarHBondContact O-N 2.99Å; N144-R147 PolarHBondContact O-N 2.87Å; N144-R147 PolarHBondContact OD1-NH1 3.37Å; N144-R147 VanDerWaalsContact OD1-NH1 3.14Å; K145-R147 VanDerWaalsContact C-N 3.28Å; K145-R147 PolarHBondContact O-N 3.2Å; R147-K150 PolarHBondContact O-N 2.97Å; R147-E151 WeakPolarHBondContact O-CB 3.42Å; R147-E151 PolarHBondContact O-N 2.96Å; R147-V190 HydrophobicContact CB-CG2 4.39Å
148L93.9Very high84.1Confident11 Ų1183 Ų836%0.05841%0.41CS..Hα-helixtrans-61.9-45.9176.8179.464.7000111.3L69 N144 K145 K150 E151 K152 N191L69-L148 HydrophobicContact CB-CB 4.42Å; L69-L148 HydrophobicContact CB-CD2 3.9Å; L69-L148 HydrophobicContact CD1-CB 4.34Å; L69-L148 HydrophobicContact CD1-CD2 4.06Å; N144-L148 PolarHBondContact O-N 3.31Å; K145-L148 PolarHBondContact O-N 3.43Å; K145-L148 VanDerWaalsContact O-N 3.11Å; L148-K150 PolarHBondContact O-N 2.79Å; L148-E151 PolarHBondContact O-N 3.12Å; L148-K152 HydrophobicContact CD1-CD 4.39Å; L148-K152 HydrophobicContact CD1-CG 4.33Å; L148-K152 HydrophobicContact CG-CD 4.22Å; L148-K152 WeakPolarHBondContact O-CB 3.23Å; L148-K152 WeakPolarHBondContact O-CG 3.44Å; L148-K152 PolarHBondContact O-N 2.82Å; L148-N191 HydrophobicContact CD1-CB 3.74Å
149E94.6Very high81.4Confident114 Ų11484.2 Ų84.253%0.53342%0.415SS..Hα-helixtrans-57-50.6176-70.9172.8167.900111K145 E151 K152 H153K145-E149 WeakPolarHBondContact O-CG 3.43Å; K145-E149 PolarHBondContact O-N 3.17Å; E149-E151 PolarHBondContact O-N 2.61Å; E149-K152 PolarHBondContact O-N 2.91Å; E149-H153 PolarHBondContact O-CD2 2.82Å; E149-H153 PolarHBondContact O-N 2.86Å
150K91.8Very high78.5Confident107 Ų10790.7 Ų90.747%0.46546%0.455SS..Hα-helixtrans-57.4-46.6177.2-177.8175179.6172.70112.1K146 R147 L148 K152 H153 E154K146-K150 VanDerWaalsContact O-CB 3.29Å; K146-K150 WeakPolarHBondContact O-CB 3.31Å; K146-K150 PolarHBondContact O-N 3.47Å; R147-K150 PolarHBondContact O-N 2.97Å; L148-K150 PolarHBondContact O-N 2.79Å; K150-K152 VanDerWaalsContact C-N 3.35Å; K150-K152 PolarHBondContact O-N 2.94Å; K150-H153 PolarHBondContact O-N 3.05Å; K150-E154 WeakPolarHBondContact CE-OE1 3.11Å; K150-E154 HydrophobicContact CG-CG 4.31Å; K150-E154 IonicContact NZ-OE1 2.95Å; K150-E154 WeakPolarHBondContact O-CB 3.14Å; K150-E154 WeakPolarHBondContact O-CG 3.26Å; K150-E154 PolarHBondContact O-N 2.93Å
151E89.5Confident75.8Confident52 Ų5293.7 Ų93.724%0.24347%0.47CS..Hα-helixtrans-64.5-38.1179-168.766.8-158.200112R147 L148 E149 E154 K155 V190 N191R147-E151 WeakPolarHBondContact O-CB 3.42Å; R147-E151 PolarHBondContact O-N 2.96Å; L148-E151 PolarHBondContact O-N 3.12Å; E149-E151 PolarHBondContact O-N 2.61Å; E151-E154 PolarHBondContact O-N 2.86Å; E151-K155 PolarHBondContact O-N 2.93Å; E151-K155 VanDerWaalsContact O-N 3.14Å; E151-V190 HydrophobicContact CB-CG1 4.48Å; E151-V190 HydrophobicContact CB-CG2 4.24Å; E151-V190 HydrophobicContact CG-CG1 4.08Å; E151-V190 HydrophobicContact CG-CG2 4.5Å; E151-N191 HydrophobicContact CB-CB 4.21Å; E151-N191 HydrophobicContact CG-CB 3.63Å
152K90.4Very high73.1Confident104 Ų10495.4 Ų95.445%0.45248%0.483SS..Hα-helixtrans-64.9-38.3174.6-76.7-178.7174.6-177.80111.9T71 L148 E149 K150T71-K152 WeakPolarHBondContact O-CE 3.39Å; T71-K152 PolarHBondContact O-NZ 3.05Å; L148-K152 HydrophobicContact CD1-CD 4.39Å; L148-K152 HydrophobicContact CD1-CG 4.33Å; L148-K152 HydrophobicContact CG-CD 4.22Å; L148-K152 WeakPolarHBondContact O-CB 3.23Å; L148-K152 WeakPolarHBondContact O-CG 3.44Å; L148-K152 PolarHBondContact O-N 2.82Å; E149-K152 PolarHBondContact O-N 2.91Å; K150-K152 VanDerWaalsContact C-N 3.35Å; K150-K152 PolarHBondContact O-N 2.94Å
153H89.1Confident70.7Confident163 Ų16394 Ų9476%0.75548%0.476SS*.Hα-helixtrans-72.7-37.8174.6-73.2-65.1000112.9E149 K150E149-H153 PolarHBondContact O-CD2 2.82Å; E149-H153 PolarHBondContact O-N 2.86Å; K150-H153 PolarHBondContact O-N 3.05Å
154E81.8Confident68.7Low77 Ų7797 Ų9736%0.3649%0.491SS..Hα-helixtrans-75.2-20.6-177.5-74.8-177.2-177.800113.6K150 E151 G156 A157 K164K150-E154 WeakPolarHBondContact CE-OE1 3.11Å; K150-E154 HydrophobicContact CG-CG 4.31Å; K150-E154 IonicContact NZ-OE1 2.95Å; K150-E154 WeakPolarHBondContact O-CB 3.14Å; K150-E154 WeakPolarHBondContact O-CG 3.26Å; K150-E154 PolarHBondContact O-N 2.93Å; E151-E154 PolarHBondContact O-N 2.86Å; E154-G156 PolarHBondContact O-N 3.17Å; E154-A157 PolarHBondContact O-N 3.16Å; E154-K164 IonicContact OE1-NZ 2.74Å; E154-K164 IonicContact OE2-NZ 3.45Å; E154-K164 PolarHBondContact OE2-NZ 3.45Å
155K63.2Low66.8Low130 Ų13098.2 Ų98.257%0.56550%0.497SS*.THydrogen-bonded Turntrans-56.4-12.9176.8-95.9-174.2176.1169.20115.2E151 A157 N191E151-K155 PolarHBondContact O-N 2.93Å; E151-K155 VanDerWaalsContact O-N 3.14Å; K155-A157 PolarHBondContact O-N 2.92Å; K155-N191 VanDerWaalsContact CE-ND2 3.29Å; K155-N191 WeakPolarHBondContact CE-ND2 3.49Å; K155-N191 PolarHBondContact NZ-ND2 3.49Å
156G50.2Low65.2Low85 Ų8594.1 Ų94.188%0.87648%0.48SS*.THydrogen-bonded Turntrans-60.5-19.6165.100000113.9E154E154-G156 PolarHBondContact O-N 3.17Å
157A43.4Very low64.6Low66 Ų6688.2 Ų88.255%0.54546%0.457SS..SBendtrans-121.2114.2174.800000109.6E154 K155 K159E154-A157 PolarHBondContact O-N 3.16Å; K155-A157 PolarHBondContact O-N 2.92Å; A157-K159 PolarHBondContact O-N 2.8Å
158Q31.4Very low64.8Low201 Ų20186.4 Ų86.494%0.93945%0.451SS*.  trans-51.1105.2172.6-77.8175.4-20.300111.2
159K38.9Very low65Low168 Ų16885.9 Ų85.973%0.7345%0.449SS*.  trans-135.1111.9159.6-74.8-167.3177-176.10109.6A157 D161A157-K159 PolarHBondContact O-N 2.8Å; K159-D161 PolarHBondContact O-N 3.41Å; K159-D161 VanDerWaalsContact O-N 3.16Å
160T37.8Very low65.2Low139 Ų13980.4 Ų80.485%0.85342%0.423SS*.  trans-77.320.8173.848.50000112.9C162T160-C162 PolarHBondContact O-N 2.93Å
161D38.9Very low65.6Low90 Ų9075.3 Ų75.348%0.48140%0.401SS..  trans-87.8103.1-170.5-93.5-29000111.4K159 Q163K159-D161 PolarHBondContact O-N 3.41Å; K159-D161 VanDerWaalsContact O-N 3.16Å; D161-Q163 HydrophobicContact CB-CB 4.08Å; D161-Q163 HydrophobicContact CB-CG 3.74Å; D161-Q163 PolarHBondContact O-N 3.19Å; D161-Q163 PolarHBondContact OD1-NE2 3.24Å; D161-Q163 PolarHBondContact OD2-NE2 3.46Å
162C38Very low66Low59 Ų5972.9 Ų72.940%0.39939%0.39SS..  trans-57.117.5163.2-640000113.8T160 K164T160-C162 PolarHBondContact O-N 2.93Å; C162-K164 PolarHBondContact O-N 3.09Å
163Q45.4Very low66.4Low84 Ų8467.9 Ų67.939%0.39337%0.368SS..THydrogen-bonded Turntrans-94.418-162.5-60.9-174.59.900114.8G13 D161G13-Q163 VanDerWaalsContact CA-O 3.22Å; G13-Q163 WeakPolarHBondContact CA-O 3.37Å; D161-Q163 HydrophobicContact CB-CB 4.08Å; D161-Q163 HydrophobicContact CB-CG 3.74Å; D161-Q163 PolarHBondContact O-N 3.19Å; D161-Q163 PolarHBondContact OD1-NE2 3.24Å; D161-Q163 PolarHBondContact OD2-NE2 3.46Å
164K49.7Very low66.9Low115 Ų11560.1 Ų60.150%0.533%0.332SS..THydrogen-bonded Turntrans-124.5-4.1-180-67.7-179.8-172.2159.90115.3E154 C162E154-K164 IonicContact OE1-NZ 2.74Å; E154-K164 IonicContact OE2-NZ 3.45Å; E154-K164 PolarHBondContact OE2-NZ 3.45Å; C162-K164 PolarHBondContact O-N 3.09Å
165N53.6Low67.7Low26 Ų2656.6 Ų56.614%0.13932%0.315CS..SBendtrans-118.1142.3-170.6-61.6-32.1000111.5A12 G167 V190A12-N165 WeakPolarHBondContact CA-O 3.36Å; A12-N165 WeakPolarHBondContact CB-O 3.42Å; N165-G167 PolarHBondContact O-N 3.46Å; N165-V190 WeakPolarHBondContact ND2-CG1 3.35Å
166L63.3Low69.3Low3 Ų353.2 Ų53.22%0.01631%0.308CS..  trans-58.2127.7154.3-78.4134.7000107.7G9 I15 V23 E60 F61 N62 P284G9-L166 WeakPolarHBondContact O-CD2 3.32Å; I15-L166 HydrophobicContact CD1-CD2 3.84Å; I15-L166 HydrophobicContact CD1-CG 4.29Å; V23-L166 HydrophobicContact CG1-CD2 4.41Å; V23-L166 HydrophobicContact CG2-CD1 4.16Å; E60-L166 WeakPolarHBondContact O-CD1 3.09Å; F61-L166 HydrophobicContact CD1-CD2 4.28Å; F61-L166 HydrophobicContact CE1-CD2 4.41Å; N62-L166 WeakPolarHBondContact CB-O 3.14Å; N62-L166 PolarHBondContact ND2-O 2.91Å; L166-P284 HydrophobicContact CD2-CG 3.53Å
167G81.9Confident71.6Confident13 Ų1357.1 Ų57.113%0.13430%0.3CS..  trans-80.2-154.8-177.900000112.4N165N165-G167 PolarHBondContact O-N 3.46Å
168T94.9Very high74.2Confident7 Ų754.7 Ų54.74%0.04328%0.282CS..  trans-58.5139.4174.5-64.10000112H8 G10 T184 S185 T186 S200 T219H8-T168 PolarHBondContact CE1-O 2.89Å; H8-T168 PolarHBondContact ND1-O 3.15Å; G10-T168 WeakPolarHBondContact CA-O 3.43Å; G10-T168 PolarHBondContact N-O 3.44Å; T168-T184 HydrophobicContact CG2-CG2 3.21Å; T168-S185 WeakPolarHBondContact CG2-O 3.28Å; T168-T186 WeakPolarHBondContact OG1-CB 3.47Å; T168-T186 PolarHBondContact OG1-OG1 3.45Å; T168-S200 VanDerWaalsContact CG2-OG 3.27Å; T168-S200 WeakPolarHBondContact CG2-OG 3.33Å; T168-S200 PolarHBondContact OG1-OG 2.76Å; T168-T219 PolarHBondContact N-OG1 3.36Å; T168-T219 PolarHBondContact O-OG1 3.24Å
169V98.3Very high77.4Confident0 Ų046.4 Ų46.40%024%0.244CC..EExtended strand (participates in β ladder)trans-92.7153.4170.7-52.30000110.1H8 V52 L55 F61 A63 T184 S185H8-V169 VanDerWaalsContact CE1-C 3.49Å; H8-V169 WeakPolarHBondContact O-CA 3.44Å; V52-V169 HydrophobicContact CG1-CG2 4.17Å; L55-V169 HydrophobicContact CB-CB 4.06Å; L55-V169 HydrophobicContact CB-CG1 4.1Å; L55-V169 HydrophobicContact CB-CG2 3.98Å; L55-V169 HydrophobicContact CD1-CB 3.83Å; L55-V169 HydrophobicContact CD1-CG1 4.35Å; L55-V169 HydrophobicContact CD1-CG2 4.36Å; F61-V169 HydrophobicContact CB-CG1 3.69Å; F61-V169 HydrophobicContact CD1-CG1 4.23Å; F61-V169 HydrophobicContact CG-CG1 4.14Å; A63-V169 HydrophobicContact CB-CB 4.44Å; A63-V169 HydrophobicContact CB-CG1 4.1Å; A63-V169 HydrophobicContact CB-CG2 3.51Å; V169-T184 WeakPolarHBondContact O-CA 3.33Å; V169-S185 WeakPolarHBondContact CG2-O 3.45Å; V169-S185 PolarHBondContact N-O 2.85Å; V169-S185 PolarHBondContact O-N 3.35Å
170G98.7Very high80.3Confident0 Ų038.4 Ų38.40%021%0.209CC..EExtended strand (participates in β ladder)trans-169.4165.3176.600000113.8V7 H8 A183 S217V7-G170 CarbonylContact C-O 3.46Å; V7-G170 VanDerWaalsContact CA-O 3.26Å; V7-G170 WeakPolarHBondContact CA-O 3.37Å; H8-G170 PolarHBondContact CE1-N 2.83Å; H8-G170 VanDerWaalsContact CE1-N 3.3Å; H8-G170 PolarHBondContact N-O 3.08Å; H8-G170 PolarHBondContact ND1-N 2.71Å; H8-G170 PolarHBondContact O-N 2.94Å; H8-G170 VanDerWaalsContact O-N 3.07Å; G170-A183 CarbonylContact C-O 3.53Å; G170-A183 WeakPolarHBondContact CA-O 3.39Å; G170-S217 WeakPolarHBondContact CA-OG 3.49Å
171A98.9Very high83.2Confident0 Ų031.8 Ų31.80%017%0.169CC..EExtended strand (participates in β ladder)trans-141.2146.9-178.800000110.5V6 V7 V48 A51 V52 Y182 A183V6-A171 CarbonylContact O-C 3.5Å; V6-A171 VanDerWaalsContact O-CA 3.25Å; V6-A171 WeakPolarHBondContact O-CA 3.28Å; V7-A171 HydrophobicContact CG1-CB 3.96Å; V48-A171 HydrophobicContact CB-CB 3.98Å; V48-A171 HydrophobicContact CG1-CB 4.06Å; A51-A171 HydrophobicContact CB-CB 3.9Å; V52-A171 HydrophobicContact CG2-CB 3.94Å; A171-Y182 CarbonylContact O-C 3.45Å; A171-Y182 VanDerWaalsContact O-CA 3.26Å; A171-Y182 WeakPolarHBondContact O-CA 3.39Å; A171-A183 PolarHBondContact N-O 2.77Å; A171-A183 PolarHBondContact O-N 2.89Å
172V99Very high86Confident0 Ų027.5 Ų27.50%015%0.146CC..EExtended strand (participates in β ladder)trans-129.2144.5166-640000108.7V5 V6 A181 A215 I266 V268V5-V172 WeakPolarHBondContact CA-O 3.43Å; V6-V172 HydrophobicContact CB-CG2 3.8Å; V6-V172 HydrophobicContact CG2-CG2 4.28Å; V6-V172 PolarHBondContact N-O 3.22Å; V6-V172 PolarHBondContact O-N 3.21Å; V172-A181 WeakPolarHBondContact CA-O 3.36Å; V172-A215 HydrophobicContact CB-CB 4.15Å; V172-A215 HydrophobicContact CG1-CB 4.09Å; V172-I266 HydrophobicContact CG1-CD1 4.33Å; V172-I266 HydrophobicContact CG1-CG1 4.01Å; V172-I266 HydrophobicContact CG2-CB 4.32Å; V172-I266 HydrophobicContact CG2-CD1 4.02Å; V172-I266 HydrophobicContact CG2-CG1 3.86Å; V172-V268 HydrophobicContact CB-CG1 3.88Å; V172-V268 HydrophobicContact CG2-CB 4.11Å; V172-V268 HydrophobicContact CG2-CG1 3.92Å
173A98.9Very high88.9Confident0 Ų024.7 Ų24.70%013%0.127CC..EExtended strand (participates in β ladder)trans-142157.5179.900000112.2I4 V5 L38 A44 A47 V48 V180 A181I4-A173 CarbonylContact O-C 3.6Å; I4-A173 VanDerWaalsContact O-CA 3.23Å; I4-A173 WeakPolarHBondContact O-CA 3.41Å; V5-A173 HydrophobicContact CB-CB 4.43Å; V5-A173 HydrophobicContact CG2-CB 4.38Å; L38-A173 HydrophobicContact CD1-CB 4.25Å; A44-A173 HydrophobicContact CB-CB 4.23Å; A47-A173 HydrophobicContact CB-CB 4.16Å; V48-A173 HydrophobicContact CG1-CB 3.57Å; A173-V180 WeakPolarHBondContact O-CA 3.22Å; A173-A181 PolarHBondContact N-O 3.35Å; A173-A181 PolarHBondContact O-N 3.43Å; A173-A181 VanDerWaalsContact O-N 3.08Å
174L98.8Very high91.5Very high0 Ų020.7 Ų20.70%011%0.108CC..EExtended strand (participates in β ladder)trans-128.9124.2168176.770.2000107.8M1 P3 I4 N179 V180 V268M1-L174 HydrophobicContact CG-CD2 4.12Å; M1-L174 HydrophobicContact SD-CD1 3.57Å; M1-L174 VanDerWaalsContact SD-CD1 3.57Å; M1-L174 HydrophobicContact SD-CD2 3.44Å; M1-L174 WeakPolarHBondContact SD-CD2 3.33Å; M1-L174 HydrophobicContact SD-CG 3.62Å; P3-L174 WeakPolarHBondContact CA-O 3.49Å; I4-L174 HydrophobicContact CG2-CB 3.73Å; I4-L174 HydrophobicContact CG2-CD2 4.24Å; I4-L174 PolarHBondContact N-O 2.77Å; I4-L174 PolarHBondContact O-N 2.95Å; L174-N179 WeakPolarHBondContact CA-O 3.39Å; L174-V180 HydrophobicContact CB-CG1 4.27Å; L174-V180 HydrophobicContact CD1-CG1 3.43Å; L174-V180 VanDerWaalsContact CD1-CG1 3.43Å; L174-V180 HydrophobicContact CG-CG1 4.44Å; L174-V268 HydrophobicContact CB-CG2 3.99Å; L174-V268 HydrophobicContact CD2-CG2 4.47Å
175D98.7Very high93.8Very high2 Ų215.2 Ų15.21%0.0118%0.084CC..  trans-89.8172.6-178.57521.3000113.6L38 A44 K177 G178 N179L38-D175 HydrophobicContact CD2-CB 3.9Å; A44-D175 HydrophobicContact CB-CB 4.09Å; A44-D175 PolarHBondContact N-OD2 2.87Å; D175-K177 PolarHBondContact O-N 3.18Å; D175-K177 VanDerWaalsContact O-N 3.16Å; D175-K177 VanDerWaalsContact OD1-CA 3.28Å; D175-K177 WeakPolarHBondContact OD1-CA 3.27Å; D175-K177 VanDerWaalsContact OD1-CB 3.3Å; D175-K177 WeakPolarHBondContact OD1-CB 3.36Å; D175-K177 PolarHBondContact OD1-N 2.74Å; D175-G178 PolarHBondContact O-N 3.37Å; D175-G178 PolarHBondContact OD1-N 2.89Å; D175-N179 PolarHBondContact N-O 3.43Å; D175-N179 PolarHBondContact OD1-N 3.16Å; D175-N179 PolarHBondContact OD1-ND2 3.21Å; D175-N179 PolarHBondContact OD2-ND2 3.01Å
176C97.3Very high95.9Very high60 Ų6014.1 Ų14.141%0.4058%0.078SC..THydrogen-bonded Turntrans-62.7-21.5-179.6-65.60000113.6M1M1-C176 PolarHBondContact N-O 3.31Å
177K97.8Very high97.5Very high166 Ų16614 Ų1472%0.7228%0.078SC*.THydrogen-bonded Turntrans-88.8-6.9178.8-59.8172.7-176.2166.50112.2D175D175-K177 PolarHBondContact O-N 3.18Å; D175-K177 VanDerWaalsContact O-N 3.16Å; D175-K177 VanDerWaalsContact OD1-CA 3.28Å; D175-K177 WeakPolarHBondContact OD1-CA 3.27Å; D175-K177 VanDerWaalsContact OD1-CB 3.3Å; D175-K177 WeakPolarHBondContact OD1-CB 3.36Å; D175-K177 PolarHBondContact OD1-N 2.74Å
178G98Very high98.1Very high15 Ų1513.7 Ų13.716%0.1558%0.075CC..SBendtrans85.918.218000000114.5M1 D175M1-G178 VanDerWaalsContact SD-CA 3.54Å; D175-G178 PolarHBondContact O-N 3.37Å; D175-G178 PolarHBondContact OD1-N 2.89Å
179N98.8Very high98.1Very high27 Ų2716.1 Ų16.114%0.1449%0.087CC..  trans-87142.4171.1-47.7-66.7000110.4A44 K85 L174 D175 N211A44-N179 WeakPolarHBondContact CB-O 3.38Å; K85-N179 HydrophobicContact CB-CB 4.48Å; L174-N179 WeakPolarHBondContact CA-O 3.39Å; D175-N179 PolarHBondContact N-O 3.43Å; D175-N179 PolarHBondContact OD1-N 3.16Å; D175-N179 PolarHBondContact OD1-ND2 3.21Å; D175-N179 PolarHBondContact OD2-ND2 3.01Å; N179-N211 VanDerWaalsContact CA-OD1 3.3Å; N179-N211 WeakPolarHBondContact CA-OD1 3.46Å; N179-N211 PolarHBondContact OD1-ND2 3.43Å
180V98.9Very high97.9Very high0 Ų017 Ų170%09%0.092CC..EExtended strand (participates in β ladder)trans-106.9153.1172.3-62.90000111.2G84 A173 L174 A209 D210 N211 A215 V268G84-V180 WeakPolarHBondContact CA-O 3.26Å; G84-V180 PolarHBondContact N-O 3.31Å; A173-V180 WeakPolarHBondContact O-CA 3.22Å; L174-V180 HydrophobicContact CB-CG1 4.27Å; L174-V180 HydrophobicContact CD1-CG1 3.43Å; L174-V180 VanDerWaalsContact CD1-CG1 3.43Å; L174-V180 HydrophobicContact CG-CG1 4.44Å; V180-A209 HydrophobicContact CG2-CB 4.32Å; V180-D210 WeakPolarHBondContact CG2-O 3.02Å; V180-N211 PolarHBondContact N-OD1 2.88Å; V180-A215 HydrophobicContact CB-CB 3.94Å; V180-A215 HydrophobicContact CG2-CB 4.19Å; V180-V268 HydrophobicContact CG1-CG1 4.43Å
181A98.9Very high97.6Very high0 Ų017.5 Ų17.50%010%0.095CC..EExtended strand (participates in β ladder)trans-147.7161.5172.100000110.3A44 V45 V48 M82 V172 A173 A215A44-A181 HydrophobicContact CB-CB 3.71Å; V45-A181 HydrophobicContact CG2-CB 3.96Å; V48-A181 HydrophobicContact CG1-CB 4.33Å; V48-A181 HydrophobicContact CG2-CB 3.88Å; M82-A181 VanDerWaalsContact O-CA 3.31Å; M82-A181 WeakPolarHBondContact O-CA 3.14Å; M82-A181 WeakPolarHBondContact O-CB 3.29Å; V172-A181 WeakPolarHBondContact CA-O 3.36Å; A173-A181 PolarHBondContact N-O 3.35Å; A173-A181 PolarHBondContact O-N 3.43Å; A173-A181 VanDerWaalsContact O-N 3.08Å; A181-A215 WeakPolarHBondContact O-CB 3.43Å
182Y98.9Very high97.4Very high0 Ų017.8 Ų17.80%010%0.097CC..EExtended strand (participates in β ladder)trans-132154.6166.190.1-89.1000110.9S80 I81 M82 A171 T184 L203 G207 Y208 A209S80-Y182 WeakPolarHBondContact CB-OH 3.16Å; S80-Y182 WeakPolarHBondContact OG-CE2 2.91Å; S80-Y182 PolarHBondContact OG-OH 2.77Å; I81-Y182 WeakPolarHBondContact CA-O 3.45Å; I81-Y182 WeakPolarHBondContact CG1-O 3.45Å; M82-Y182 HydrophobicContact CB-CD1 3.62Å; M82-Y182 HydrophobicContact CB-CE1 3.26Å; M82-Y182 HydrophobicContact CG-CE1 4.24Å; M82-Y182 PolarHBondContact N-O 3.27Å; M82-Y182 VanDerWaalsContact N-O 3.12Å; M82-Y182 PolarHBondContact O-N 2.88Å; M82-Y182 HydrophobicContact SD-CE1 4.07Å; A171-Y182 CarbonylContact O-C 3.45Å; A171-Y182 VanDerWaalsContact O-CA 3.26Å; A171-Y182 WeakPolarHBondContact O-CA 3.39Å; Y182-T184 WeakPolarHBondContact CD2-OG1 3.32Å; Y182-T184 WeakPolarHBondContact CE2-OG1 3.32Å; Y182-L203 WeakPolarHBondContact OH-CD2 3.37Å; Y182-G207 VanDerWaalsContact CE2-CA 3.48Å; Y182-Y208 VanDerWaalsContact CD1-CA 3.5Å; Y182-Y208 VanDerWaalsContact CD1-N 3.3Å; Y182-A209 HydrophobicContact CD1-CB 3.96Å
183A98.9Very high97.4Very high0 Ų024.8 Ų24.80%013%0.131CC..EExtended strand (participates in β ladder)trans-138.2137.9167.900000109.6V48 V52 S80 I81 I102 G170 A171V48-A183 HydrophobicContact CB-CB 3.68Å; V48-A183 HydrophobicContact CG2-CB 3.71Å; V52-A183 HydrophobicContact CB-CB 4.28Å; V52-A183 HydrophobicContact CG2-CB 3.62Å; S80-A183 CarbonylContact O-C 3.37Å; S80-A183 WeakPolarHBondContact O-CA 3.22Å; I81-A183 HydrophobicContact CD1-CB 4.42Å; I81-A183 HydrophobicContact CG1-CB 4.25Å; I102-A183 HydrophobicContact CD1-CB 3.67Å; I102-A183 HydrophobicContact CG1-CB 3.94Å; G170-A183 CarbonylContact C-O 3.53Å; G170-A183 WeakPolarHBondContact CA-O 3.39Å; A171-A183 PolarHBondContact N-O 2.77Å; A171-A183 PolarHBondContact O-N 2.89Å
184T98.8Very high97.3Very high0 Ų028 Ų280%015%0.151CC..EExtended strand (participates in β ladder)trans-137.4134.7-178.9-560000109.3A79 S80 T168 V169 Y182 G206 S217A79-T184 CarbonylContact C-O 3.57Å; A79-T184 WeakPolarHBondContact CA-O 3.45Å; A79-T184 WeakPolarHBondContact CB-O 3.36Å; S80-T184 PolarHBondContact N-O 3.02Å; S80-T184 PolarHBondContact O-N 3.06Å; T168-T184 HydrophobicContact CG2-CG2 3.21Å; V169-T184 WeakPolarHBondContact O-CA 3.33Å; Y182-T184 WeakPolarHBondContact CD2-OG1 3.32Å; Y182-T184 WeakPolarHBondContact CE2-OG1 3.32Å; T184-G206 PolarHBondContact OG1-O 3.2Å; T184-S217 PolarHBondContact OG1-OG 3.02Å; T184-S217 VanDerWaalsContact OG1-OG 3.05Å
185S98.6Very high97.2Very high0 Ų030 Ų300%017%0.171CC..EExtended strand (participates in β ladder)trans-143144.4179.4-174.50000111.8E56 D78 T168 V169E56-S185 VanDerWaalsContact OE1-CB 3.23Å; E56-S185 WeakPolarHBondContact OE1-CB 3.25Å; E56-S185 PolarHBondContact OE1-OG 3.37Å; D78-S185 CarbonylContact O-C 3.53Å; D78-S185 WeakPolarHBondContact O-CA 3.45Å; T168-S185 WeakPolarHBondContact CG2-O 3.28Å; V169-S185 WeakPolarHBondContact CG2-O 3.45Å; V169-S185 PolarHBondContact N-O 2.85Å; V169-S185 PolarHBondContact O-N 3.35Å
186T97.7Very high97.2Very high3 Ų331.6 Ų31.62%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-155.2147.6-176.4-164.10000113.6N62 M77 D78 T168 G188 S200N62-T186 CarbonylContact O-C 3.09Å; N62-T186 WeakPolarHBondContact O-CA 3.48Å; M77-T186 VanDerWaalsContact CA-O 3.26Å; M77-T186 WeakPolarHBondContact CA-O 3.36Å; D78-T186 HydrophobicContact CB-CG2 3.95Å; D78-T186 PolarHBondContact N-O 2.9Å; D78-T186 PolarHBondContact O-N 3Å; T168-T186 WeakPolarHBondContact OG1-CB 3.47Å; T168-T186 PolarHBondContact OG1-OG1 3.45Å; T186-G188 VanDerWaalsContact C-N 3.28Å; T186-G188 PolarHBondContact OG1-N 3.38Å; T186-S200 VanDerWaalsContact CG2-OG 3.27Å; T186-S200 WeakPolarHBondContact CG2-OG 3.28Å
187G96.7Very high97.2Very high0 Ų031.1 Ų31.10%017%0.172CC..  trans-82.3-3.9159.900000113.4N62 V68 K192N62-G187 PolarHBondContact O-N 2.95Å; N62-G187 WeakPolarHBondContact OD1-CA 3.47Å; V68-G187 VanDerWaalsContact CG2-O 3.26Å; V68-G187 WeakPolarHBondContact CG2-O 3.41Å; G187-K192 PolarHBondContact O-NZ 3.34Å
188G95.1Very high97.1Very high8 Ų823.2 Ų23.28%0.08214%0.137CC..  trans79.5-140.7-177.300000112.9N62 V68 T186N62-G188 PolarHBondContact ND2-O 2.98Å; V68-G188 WeakPolarHBondContact CG2-O 3.43Å; T186-G188 VanDerWaalsContact C-N 3.28Å; T186-G188 PolarHBondContact OG1-N 3.38Å
189I93.8Very high97.1Very high57 Ų5722.6 Ų22.629%0.29213%0.131SC..SBendtrans-110.2146.1-179.366.1-179000111.2V68 K192V68-I189 VanDerWaalsContact CG2-C 3.46Å; I189-K192 HydrophobicContact CG1-CB 3.75Å; I189-K192 WeakPolarHBondContact O-CB 3.49Å; I189-K192 WeakPolarHBondContact O-CG 3.31Å; I189-K192 PolarHBondContact O-N 2.88Å
190V93.6Very high97.1Very high18 Ų1821.4 Ų21.411%0.10912%0.124CC..THydrogen-bonded Turntrans-60.3139.6178.663.50000110.7V68 R147 E151 N165 K192V68-V190 HydrophobicContact CB-CB 4.28Å; V68-V190 HydrophobicContact CG1-CB 4.35Å; R147-V190 HydrophobicContact CB-CG2 4.39Å; E151-V190 HydrophobicContact CB-CG1 4.48Å; E151-V190 HydrophobicContact CB-CG2 4.24Å; E151-V190 HydrophobicContact CG-CG1 4.08Å; E151-V190 HydrophobicContact CG-CG2 4.5Å; N165-V190 WeakPolarHBondContact ND2-CG1 3.35Å; V190-K192 PolarHBondContact O-N 2.93Å
191N94.1Very high97.1Very high12 Ų1221.4 Ų21.46%0.06412%0.124CC..THydrogen-bonded Turntrans58.926.4178.1-159.727.9000113.5L69 L148 E151 K155L69-N191 PolarHBondContact O-N 2.92Å; L148-N191 HydrophobicContact CD1-CB 3.74Å; E151-N191 HydrophobicContact CB-CB 4.21Å; E151-N191 HydrophobicContact CG-CB 3.63Å; K155-N191 VanDerWaalsContact CE-ND2 3.29Å; K155-N191 WeakPolarHBondContact CE-ND2 3.49Å; K155-N191 PolarHBondContact NZ-ND2 3.49Å
192K95Very high97Very high6 Ų623.2 Ų23.23%0.02614%0.137CC..PPolyproline II helixtrans-60.4152.3170.667.5-175.5-176.2-169.60110.9N70 T71 E76 G187 I189 V190 R196N70-K192 CarbonylContact C-O 3.53Å; N70-K192 WeakPolarHBondContact CA-O 3.25Å; N70-K192 HydrophobicContact CB-CG 3.87Å; N70-K192 WeakPolarHBondContact CB-O 3.26Å; T71-K192 WeakPolarHBondContact CG2-O 3.3Å; T71-K192 PolarHBondContact N-O 3.07Å; E76-K192 PolarHBondContact O-NZ 3.18Å; G187-K192 PolarHBondContact O-NZ 3.34Å; I189-K192 HydrophobicContact CG1-CB 3.75Å; I189-K192 WeakPolarHBondContact O-CB 3.49Å; I189-K192 WeakPolarHBondContact O-CG 3.31Å; I189-K192 PolarHBondContact O-N 2.88Å; V190-K192 PolarHBondContact O-N 2.93Å; K192-R196 HydrophobicContact CB-CB 4.06Å; K192-R196 HydrophobicContact CB-CG 4.34Å; K192-R196 HydrophobicContact CD-CB 4.34Å; K192-R196 HydrophobicContact CG-CB 4.41Å
193M97.2Very high97Very high147 Ų14726.1 Ų26.172%0.72415%0.152SC*.PPolyproline II helixtrans-58.1143.6166.9-68173.362.500109.6G195 R196M193-G195 PolarHBondContact O-N 2.89Å; M193-R196 HydrophobicContact CB-CB 4.47Å; M193-R196 VanDerWaalsContact O-CB 3.23Å; M193-R196 WeakPolarHBondContact O-CB 3.34Å; M193-R196 PolarHBondContact O-N 3.35Å
194V97.8Very high97Very high68 Ų6826.4 Ų26.441%0.41215%0.154SC..THydrogen-bonded Turntrans-53.4133.3168.4-175.30000108.9N72 E76 R196N72-V194 HydrophobicContact CB-CG2 4.43Å; E76-V194 WeakPolarHBondContact OE1-CG1 3.31Å; V194-R196 VanDerWaalsContact C-N 3.29Å; V194-R196 PolarHBondContact O-N 3.28Å
195G97.2Very high97Very high41 Ų4126.4 Ų26.442%0.42316%0.155SC..THydrogen-bonded Turntrans75.66.5-176.600000115.4E76 M193 V197E76-G195 PolarHBondContact OE1-N 3.02Å; E76-G195 PolarHBondContact OE2-N 3.09Å; M193-G195 PolarHBondContact O-N 2.89Å; G195-V197 PolarHBondContact O-N 2.98Å
196R97.5Very high97Very high36 Ų3626.4 Ų26.414%0.13616%0.155CC..  trans-67.2118.1171.6-179.5-78.1-171.1178.70.1109.2K192 M193 V194 E223K192-R196 HydrophobicContact CB-CB 4.06Å; K192-R196 HydrophobicContact CB-CG 4.34Å; K192-R196 HydrophobicContact CD-CB 4.34Å; K192-R196 HydrophobicContact CG-CB 4.41Å; M193-R196 HydrophobicContact CB-CB 4.47Å; M193-R196 VanDerWaalsContact O-CB 3.23Å; M193-R196 WeakPolarHBondContact O-CB 3.34Å; M193-R196 PolarHBondContact O-N 3.35Å; V194-R196 VanDerWaalsContact C-N 3.29Å; V194-R196 PolarHBondContact O-N 3.28Å; R196-E223 IonicContact CZ-OE1 2.78Å; R196-E223 VanDerWaalsContact CZ-OE1 3.25Å; R196-E223 IonicContact NE-OE1 3.41Å; R196-E223 PolarHBondContact NE-OE1 3.14Å; R196-E223 IonicContact NH2-OE1 3.21Å; R196-E223 PolarHBondContact NH2-OE1 3.49Å; R196-E223 IonicContact NH2-OE2 3.69Å; R196-E223 PolarHBondContact NH2-OE2 3.41Å
197V98Very high97.1Very high49 Ų4926.3 Ų26.330%0.29715%0.154SC..  trans-98.9135.1173.7-177.10000110.8G195 P201G195-V197 PolarHBondContact O-N 2.98Å; V197-P201 HydrophobicContact CG1-CG 3.41Å; V197-P201 VanDerWaalsContact CG1-CG 3.41Å
198G95.9Very high97.2Very high0 Ų028.6 Ų28.60%016%0.163CC..  trans-89.7-163.2177.300000114.7D78 P201D78-G198 PolarHBondContact OD2-N 3.32Å; G198-P201 WeakPolarHBondContact O-CD 3.45Å
199D97.7Very high97.3Very high3 Ų328.2 Ų28.22%0.01616%0.159CC..SBendtrans-71.8-30.2170.657.5-61.9000113.2P201 C202 A205 G206 T218 G222 I225 L226D199-P201 VanDerWaalsContact C-CD 3.43Å; D199-C202 WeakPolarHBondContact O-CB 3.47Å; D199-C202 PolarHBondContact O-N 2.95Å; D199-A205 HydrophobicContact CB-CB 4.16Å; D199-G206 VanDerWaalsContact O-CA 3.24Å; D199-G206 WeakPolarHBondContact O-CA 3.44Å; D199-G206 PolarHBondContact O-N 3.14Å; D199-T218 PolarHBondContact OD2-OG1 2.98Å; D199-G222 WeakPolarHBondContact OD1-CA 3.24Å; D199-I225 HydrophobicContact CB-CB 3.83Å; D199-I225 HydrophobicContact CB-CG2 3.47Å; D199-I225 VanDerWaalsContact CB-CG2 3.47Å; D199-L226 HydrophobicContact CB-CD2 4.33Å; D199-L226 HydrophobicContact CB-CG 3.98Å
200S98.3Very high97.6Very high1 Ų126.8 Ų26.81%0.00715%0.152CC..THydrogen-bonded Turntrans-55.4-37.3-168.9-56.90000116.3S80 T168 T186S80-S200 WeakPolarHBondContact CB-O 3.35Å; S80-S200 PolarHBondContact OG-O 3.06Å; T168-S200 VanDerWaalsContact CG2-OG 3.27Å; T168-S200 WeakPolarHBondContact CG2-OG 3.33Å; T168-S200 PolarHBondContact OG1-OG 2.76Å; T186-S200 VanDerWaalsContact CG2-OG 3.27Å; T186-S200 WeakPolarHBondContact CG2-OG 3.28Å
201P98.6Very high97.8Very high0 Ų027.7 Ų27.70%016%0.156CC..THydrogen-bonded Turntrans-88.3-7176.137.1-33.6000113D78 A91 V92 F116 V197 G198 D199 L203D78-P201 HydrophobicContact CB-CB 4.13Å; D78-P201 HydrophobicContact CB-CG 3.75Å; A91-P201 HydrophobicContact CB-CB 4.23Å; A91-P201 WeakPolarHBondContact CB-O 3.46Å; V92-P201 WeakPolarHBondContact O-CB 3.4Å; F116-P201 HydrophobicContact CE1-CB 3.7Å; F116-P201 HydrophobicContact CE1-CG 4.1Å; F116-P201 WeakPolarHBondContact CE1-O 3.33Å; F116-P201 HydrophobicContact CZ-CB 3.65Å; F116-P201 HydrophobicContact CZ-CG 3.87Å; V197-P201 HydrophobicContact CG1-CG 3.41Å; V197-P201 VanDerWaalsContact CG1-CG 3.41Å; G198-P201 WeakPolarHBondContact O-CD 3.45Å; D199-P201 VanDerWaalsContact C-CD 3.43Å; P201-L203 PolarHBondContact O-N 3.21Å
202C98.6Very high98Very high39 Ų3933 Ų3326%0.26419%0.185SC..SBendtrans-88.4109.1-177.4-64.70000110.8D199 G204 A205 G206 L226D199-C202 WeakPolarHBondContact O-CB 3.47Å; D199-C202 PolarHBondContact O-N 2.95Å; C202-G204 PolarHBondContact O-N 3.14Å; C202-A205 HydrophobicContact CB-CB 4.01Å; C202-A205 PolarHBondContact O-N 2.9Å; C202-G206 PolarHBondContact O-N 3.43Å; C202-L226 HydrophobicContact CB-CD2 3.81Å
203L98.7Very high98.2Very high61 Ų6133.1 Ų33.132%0.31919%0.186SC..BIsolated β-bridgetrans-55.2130.8174.8-50.7-177.6000110.5A89 Y182 P201 A205A89-L203 HydrophobicContact CB-CD1 3.48Å; A89-L203 VanDerWaalsContact CB-CD1 3.48Å; A89-L203 HydrophobicContact CB-CD2 3.96Å; A89-L203 HydrophobicContact CB-CG 4.38Å; Y182-L203 WeakPolarHBondContact OH-CD2 3.37Å; P201-L203 PolarHBondContact O-N 3.21Å; L203-A205 VanDerWaalsContact C-N 3.27Å; L203-A205 PolarHBondContact O-N 3.03Å
204G98.7Very high98.3Very high5 Ų526.1 Ų26.15%0.05215%0.151CC..THydrogen-bonded Turntrans87.5-16.2-176.800000114.3C202 G207 N229 A231 R232C202-G204 PolarHBondContact O-N 3.14Å; G204-G207 PolarHBondContact N-O 3.47Å; G204-N229 CarbonylContact O-C 3.45Å; G204-N229 WeakPolarHBondContact O-CA 3.36Å; G204-N229 VanDerWaalsContact O-O 3.11Å; G204-A231 PolarHBondContact O-N 2.76Å; G204-R232 PolarHBondContact O-N 3.46Å
205A98.7Very high98.3Very high1 Ų122.9 Ų22.91%0.00813%0.131CC..THydrogen-bonded Turntrans-99.8-70.3170.400000110.6D199 C202 L203 G207 T218 I225 L226 A231D199-A205 HydrophobicContact CB-CB 4.16Å; C202-A205 HydrophobicContact CB-CB 4.01Å; C202-A205 PolarHBondContact O-N 2.9Å; L203-A205 VanDerWaalsContact C-N 3.27Å; L203-A205 PolarHBondContact O-N 3.03Å; A205-G207 VanDerWaalsContact C-N 3.29Å; A205-G207 PolarHBondContact O-N 2.92Å; A205-T218 WeakPolarHBondContact O-CG2 3.48Å; A205-T218 PolarHBondContact O-OG1 3.4Å; A205-I225 HydrophobicContact CB-CG2 4.25Å; A205-I225 WeakPolarHBondContact O-CG2 3.47Å; A205-L226 HydrophobicContact CB-CD2 3.93Å; A205-A231 WeakPolarHBondContact O-CB 3.28Å; A205-A231 PolarHBondContact O-N 3.21Å
206G98.4Very high98.4Very high0 Ų021 Ų210%011%0.111CC..THydrogen-bonded Turntrans-68.6-25.4-177.500000114.6T184 D199 C202 T218T184-G206 PolarHBondContact OG1-O 3.2Å; D199-G206 VanDerWaalsContact O-CA 3.24Å; D199-G206 WeakPolarHBondContact O-CA 3.44Å; D199-G206 PolarHBondContact O-N 3.14Å; C202-G206 PolarHBondContact O-N 3.43Å; G206-T218 VanDerWaalsContact CA-OG1 3.26Å; G206-T218 WeakPolarHBondContact CA-OG1 3.37Å; G206-T218 PolarHBondContact O-N 2.92Å; G206-T218 PolarHBondContact O-OG1 2.89Å
207G98.9Very high98.5Very high0 Ų019.2 Ų19.20%011%0.105CC..EExtended strand (participates in β ladder)trans179.8170174.900000111.7Y182 G204 A205 V216 A231Y182-G207 VanDerWaalsContact CE2-CA 3.48Å; G204-G207 PolarHBondContact N-O 3.47Å; A205-G207 VanDerWaalsContact C-N 3.29Å; A205-G207 PolarHBondContact O-N 2.92Å; G207-V216 CarbonylContact C-O 3.58Å; G207-V216 WeakPolarHBondContact CA-O 3.34Å; G207-A231 VanDerWaalsContact CA-CB 3.5Å
208Y98.9Very high98.5Very high48 Ų4816.9 Ų16.919%0.1889%0.091CC..EExtended strand (participates in β ladder)trans-161.1149.1173.8-156.6-94000109.6M82 Y182 D210 A215 V216 L235M82-Y208 HydrophobicContact CE-CD2 4.48Å; M82-Y208 HydrophobicContact CE-CE1 4.16Å; M82-Y208 HydrophobicContact CE-CE2 4.03Å; M82-Y208 HydrophobicContact SD-CD2 4.05Å; M82-Y208 HydrophobicContact SD-CE2 4.15Å; M82-Y208 HydrophobicContact SD-CG 4.26Å; Y182-Y208 VanDerWaalsContact CD1-CA 3.5Å; Y182-Y208 VanDerWaalsContact CD1-N 3.3Å; Y208-D210 HydrophobicContact CE1-CB 4.23Å; Y208-A215 CarbonylContact O-C 3.53Å; Y208-A215 VanDerWaalsContact O-CA 3.26Å; Y208-A215 WeakPolarHBondContact O-CA 3.5Å; Y208-V216 PolarHBondContact N-O 3.04Å; Y208-V216 PolarHBondContact O-N 2.65Å; Y208-L235 HydrophobicContact CD1-CD1 3.56Å; Y208-L235 HydrophobicContact CG-CD1 4.13Å
209A98.9Very high98.5Very high0 Ų016.9 Ų16.90%09%0.091CC..EExtended strand (participates in β ladder)trans-138.8135.8175.200000110.6M82 L87 V180 Y182 A215M82-A209 HydrophobicContact CB-CB 4.33Å; M82-A209 VanDerWaalsContact CE-O 3.31Å; M82-A209 WeakPolarHBondContact CE-O 3.16Å; M82-A209 HydrophobicContact CG-CB 4.28Å; L87-A209 WeakPolarHBondContact CD2-O 3.3Å; V180-A209 HydrophobicContact CG2-CB 4.32Å; Y182-A209 HydrophobicContact CD1-CB 3.96Å; A209-A215 HydrophobicContact CB-CB 3.84Å
210D98.8Very high98.4Very high28 Ų2817.8 Ų17.815%0.1510%0.101CC..EExtended strand (participates in β ladder)trans-153.2122177.6-171.7-28.2000109.2L87 V180 Y208 D212 I213 G214L87-D210 HydrophobicContact CD2-CB 4.03Å; V180-D210 WeakPolarHBondContact CG2-O 3.02Å; Y208-D210 HydrophobicContact CE1-CB 4.23Å; D210-D212 PolarHBondContact O-N 3.21Å; D210-D212 VanDerWaalsContact O-N 3.14Å; D210-D212 WeakPolarHBondContact OD1-CB 3.44Å; D210-D212 PolarHBondContact OD1-N 3.36Å; D210-I213 HydrophobicContact CB-CD1 4.45Å; D210-I213 HydrophobicContact CB-CG1 4.41Å; D210-I213 CarbonylContact O-C 3.6Å; D210-I213 PolarHBondContact O-N 2.89Å; D210-G214 PolarHBondContact N-O 2.95Å; D210-G214 PolarHBondContact O-N 3.02Å
211N98.7Very high98.1Very high37 Ų3720.5 Ų20.520%0.19811%0.113CC..THydrogen-bonded Turntrans-59.3-24179.7-81.89.2000113.3G84 K85 N179 V180 I213 K270G84-N211 VanDerWaalsContact C-OD1 3.24Å; G84-N211 WeakPolarHBondContact O-CB 3.49Å; G84-N211 PolarHBondContact O-N 3.44Å; G84-N211 PolarHBondContact O-OD1 3.08Å; K85-N211 WeakPolarHBondContact CA-ND2 3.34Å; K85-N211 PolarHBondContact N-OD1 2.79Å; N179-N211 VanDerWaalsContact CA-OD1 3.3Å; N179-N211 WeakPolarHBondContact CA-OD1 3.46Å; N179-N211 PolarHBondContact OD1-ND2 3.43Å; V180-N211 PolarHBondContact N-OD1 2.88Å; N211-I213 PolarHBondContact O-N 3.25Å; N211-K270 WeakPolarHBondContact O-CB 3.29Å
212D98.3Very high97.9Very high123 Ų12320.5 Ų20.566%0.65811%0.113SC*.THydrogen-bonded Turntrans-76-12.2177.6-73.5-23.5000112.8D210 K270D210-D212 PolarHBondContact O-N 3.21Å; D210-D212 VanDerWaalsContact O-N 3.14Å; D210-D212 WeakPolarHBondContact OD1-CB 3.44Å; D210-D212 PolarHBondContact OD1-N 3.36Å; D212-K270 WeakPolarHBondContact O-CD 3.42Å; D212-K270 WeakPolarHBondContact O-CE 3.12Å; D212-K270 PolarHBondContact O-NZ 3.23Å
213I98.6Very high97.8Very high9 Ų921.3 Ų21.35%0.04611%0.113CC..THydrogen-bonded Turntrans-133-64.1-172.9-43.9174.3000112.1D210 N211 L235 I238 E239 K270D210-I213 HydrophobicContact CB-CD1 4.45Å; D210-I213 HydrophobicContact CB-CG1 4.41Å; D210-I213 CarbonylContact O-C 3.6Å; D210-I213 PolarHBondContact O-N 2.89Å; N211-I213 PolarHBondContact O-N 3.25Å; I213-L235 HydrophobicContact CB-CD2 4.44Å; I213-L235 HydrophobicContact CD1-CB 4.49Å; I213-L235 HydrophobicContact CG2-CB 4.03Å; I213-L235 HydrophobicContact CG2-CD2 3.9Å; I213-L235 HydrophobicContact CG2-CG 4.48Å; I213-L235 WeakPolarHBondContact CG2-O 3.43Å; I213-I238 HydrophobicContact CG2-CB 3.91Å; I213-I238 HydrophobicContact CG2-CG2 3.84Å; I213-E239 HydrophobicContact CD1-CB 4.27Å; I213-K270 PolarHBondContact O-N 3.11Å
214G98.7Very high97.7Very high0 Ų018.5 Ų18.50%010%0.099CC..EExtended strand (participates in β ladder)trans155.9-172.1-169.500000113D210 V268D210-G214 PolarHBondContact N-O 2.95Å; D210-G214 PolarHBondContact O-N 3.02Å; G214-V268 CarbonylContact C-O 3.55Å; G214-V268 WeakPolarHBondContact CA-O 3.43Å
215A98.9Very high97.7Very high0 Ų018.3 Ų18.30%010%0.096CC..EExtended strand (participates in β ladder)trans-128.5146.2175.400000112.2V172 V180 A181 Y208 A209 V267 V268V172-A215 HydrophobicContact CB-CB 4.15Å; V172-A215 HydrophobicContact CG1-CB 4.09Å; V180-A215 HydrophobicContact CB-CB 3.94Å; V180-A215 HydrophobicContact CG2-CB 4.19Å; A181-A215 WeakPolarHBondContact O-CB 3.43Å; Y208-A215 CarbonylContact O-C 3.53Å; Y208-A215 VanDerWaalsContact O-CA 3.26Å; Y208-A215 WeakPolarHBondContact O-CA 3.5Å; A209-A215 HydrophobicContact CB-CB 3.84Å; A215-V267 WeakPolarHBondContact O-CA 3.39Å; A215-V268 HydrophobicContact CB-CG1 3.99Å; A215-V268 PolarHBondContact N-O 3.13Å; A215-V268 PolarHBondContact O-N 3.1Å
216V98.9Very high97.7Very high0 Ų021 Ų210%011%0.11CC..EExtended strand (participates in β ladder)trans-134.8140.1-179.3-178.90000109.9G207 Y208 T218 A231 T234 L235 L265 I266 V267G207-V216 CarbonylContact C-O 3.58Å; G207-V216 WeakPolarHBondContact CA-O 3.34Å; Y208-V216 PolarHBondContact N-O 3.04Å; Y208-V216 PolarHBondContact O-N 2.65Å; V216-T218 HydrophobicContact CG1-CG2 4.07Å; V216-A231 HydrophobicContact CB-CB 4.11Å; V216-A231 HydrophobicContact CG1-CB 3.94Å; V216-T234 HydrophobicContact CG2-CG2 4.11Å; V216-L235 HydrophobicContact CG2-CD1 4.48Å; V216-L235 HydrophobicContact CG2-CD2 3.59Å; V216-L235 HydrophobicContact CG2-CG 3.71Å; V216-L265 HydrophobicContact CG1-CB 4.29Å; V216-I266 WeakPolarHBondContact CA-O 3.27Å; V216-V267 HydrophobicContact CG2-CB 4.42Å; V216-V267 HydrophobicContact CG2-CG1 3.97Å; V216-V267 HydrophobicContact CG2-CG2 4.08Å
217S98.8Very high97.7Very high0 Ų028.1 Ų28.10%014%0.141CC..EExtended strand (participates in β ladder)trans-126.8140.4164.3171.40000109.4H8 G170 T184 L265 I266H8-S217 PolarHBondContact NE2-OG 3.42Å; G170-S217 WeakPolarHBondContact CA-OG 3.49Å; T184-S217 PolarHBondContact OG1-OG 3.02Å; T184-S217 VanDerWaalsContact OG1-OG 3.05Å; S217-L265 VanDerWaalsContact O-CA 3.23Å; S217-L265 WeakPolarHBondContact O-CA 3.33Å; S217-L265 WeakPolarHBondContact O-CB 3.24Å; S217-I266 PolarHBondContact N-O 3.02Å; S217-I266 VanDerWaalsContact N-O 3.13Å; S217-I266 PolarHBondContact O-N 3.02Å
218T98.1Very high97.6Very high0 Ų028.8 Ų28.80%015%0.145CC..EExtended strand (participates in β ladder)trans-118.1158.6-174.767.20000113.3D199 A205 G206 V216 L230 A231 L265D199-T218 PolarHBondContact OD2-OG1 2.98Å; A205-T218 WeakPolarHBondContact O-CG2 3.48Å; A205-T218 PolarHBondContact O-OG1 3.4Å; G206-T218 VanDerWaalsContact CA-OG1 3.26Å; G206-T218 WeakPolarHBondContact CA-OG1 3.37Å; G206-T218 PolarHBondContact O-N 2.92Å; G206-T218 PolarHBondContact O-OG1 2.89Å; V216-T218 HydrophobicContact CG1-CG2 4.07Å; T218-L230 HydrophobicContact CG2-CB 4.19Å; T218-L230 HydrophobicContact CG2-CD2 3.89Å; T218-L230 HydrophobicContact CG2-CG 4.03Å; T218-A231 HydrophobicContact CG2-CB 3.99Å; T218-L265 HydrophobicContact CG2-CB 4.15Å
219T97.2Very high97.6Very high0 Ų030.8 Ų30.80%016%0.159CC..EExtended strand (participates in β ladder)trans-148.8151.8173.6175.20000110.9G10 G11 T168 G263 G264 M283G10-T219 VanDerWaalsContact CA-OG1 3.26Å; G10-T219 WeakPolarHBondContact CA-OG1 3.26Å; G11-T219 PolarHBondContact N-OG1 3.45Å; T168-T219 PolarHBondContact N-OG1 3.36Å; T168-T219 PolarHBondContact O-OG1 3.24Å; T219-G263 CarbonylContact O-C 3.6Å; T219-G263 WeakPolarHBondContact O-CA 3.43Å; T219-G264 PolarHBondContact N-O 3.45Å; T219-G264 PolarHBondContact O-N 3.16Å; T219-G264 VanDerWaalsContact O-O 3.07Å; T219-M283 HydrophobicContact CG2-CG 4.38Å; T219-M283 HydrophobicContact CG2-SD 3.8Å
220G94.3Very high97.6Very high22 Ų2230.8 Ų30.823%0.22716%0.159CC..EExtended strand (participates in β ladder)trans135.9-139.4172.200000112.3G222G220-G222 PolarHBondContact O-N 3.07Å; G220-G222 VanDerWaalsContact O-N 3.11Å
221H93.1Very high97.6Very high57 Ų5729.4 Ų29.426%0.26415%0.152SC..  trans-76.296.6178.8-177.4-133.2000111.3E223 S224 I225 L262H221-E223 VanDerWaalsContact C-N 3.32Å; H221-E223 IonicContact CD2-OE2 2.91Å; H221-E223 IonicContact NE2-OE2 3.67Å; H221-E223 PolarHBondContact O-N 2.9Å; H221-S224 PolarHBondContact CE1-OG 3.24Å; H221-S224 WeakPolarHBondContact ND1-CB 3.44Å; H221-S224 PolarHBondContact ND1-OG 2.94Å; H221-S224 WeakPolarHBondContact O-CB 3.4Å; H221-S224 PolarHBondContact O-N 3.16Å; H221-I225 WeakPolarHBondContact O-CG1 3.42Å; H221-I225 PolarHBondContact O-N 3.25Å; H221-L262 PolarHBondContact N-O 3.49Å
222G94.5Very high97.6Very high1 Ų131.2 Ų31.21%0.0116%0.156CC..Hα-helixtrans-56.3-38.6-171.600000115.1D199 G220 S224 I225 L226D199-G222 WeakPolarHBondContact OD1-CA 3.24Å; G220-G222 PolarHBondContact O-N 3.07Å; G220-G222 VanDerWaalsContact O-N 3.11Å; G222-S224 VanDerWaalsContact C-N 3.26Å; G222-S224 PolarHBondContact O-N 3.14Å; G222-I225 PolarHBondContact O-N 2.67Å; G222-L226 WeakPolarHBondContact O-CB 3.44Å; G222-L226 WeakPolarHBondContact O-CG 3.45Å; G222-L226 PolarHBondContact O-N 3.33Å
223E95.9Very high97.7Very high56 Ų5627.1 Ų27.126%0.26213%0.134SC..Hα-helixtrans-63.7-31.7177-72.369.3-159.900112.4R196 H221 K227R196-E223 IonicContact CZ-OE1 2.78Å; R196-E223 VanDerWaalsContact CZ-OE1 3.25Å; R196-E223 IonicContact NE-OE1 3.41Å; R196-E223 PolarHBondContact NE-OE1 3.14Å; R196-E223 IonicContact NH2-OE1 3.21Å; R196-E223 PolarHBondContact NH2-OE1 3.49Å; R196-E223 IonicContact NH2-OE2 3.69Å; R196-E223 PolarHBondContact NH2-OE2 3.41Å; H221-E223 VanDerWaalsContact C-N 3.32Å; H221-E223 IonicContact CD2-OE2 2.91Å; H221-E223 IonicContact NE2-OE2 3.67Å; H221-E223 PolarHBondContact O-N 2.9Å; E223-K227 VanDerWaalsContact O-CD 3.24Å; E223-K227 WeakPolarHBondContact O-CD 3.48Å; E223-K227 WeakPolarHBondContact O-CG 3.49Å; E223-K227 PolarHBondContact O-N 3.04Å
224S96.6Very high97.7Very high2 Ų226.7 Ų26.71%0.01413%0.132CC..Hα-helixtrans-77.2-40.2173.5-73.30000112H221 G222 K227 V228 G261H221-S224 PolarHBondContact CE1-OG 3.24Å; H221-S224 WeakPolarHBondContact ND1-CB 3.44Å; H221-S224 PolarHBondContact ND1-OG 2.94Å; H221-S224 WeakPolarHBondContact O-CB 3.4Å; H221-S224 PolarHBondContact O-N 3.16Å; G222-S224 VanDerWaalsContact C-N 3.26Å; G222-S224 PolarHBondContact O-N 3.14Å; S224-K227 PolarHBondContact O-N 3.42Å; S224-V228 WeakPolarHBondContact O-CG2 3Å; S224-V228 PolarHBondContact O-N 3.34Å; S224-G261 WeakPolarHBondContact OG-CA 3.14Å
225I97.9Very high97.7Very high0 Ų026.7 Ų26.70%013%0.132CC..Hα-helixtrans-60.2-47177.7-67.9171.7000110.3D199 A205 H221 G222 K227 V228 N229 L230 M255D199-I225 HydrophobicContact CB-CB 3.83Å; D199-I225 HydrophobicContact CB-CG2 3.47Å; D199-I225 VanDerWaalsContact CB-CG2 3.47Å; A205-I225 HydrophobicContact CB-CG2 4.25Å; A205-I225 WeakPolarHBondContact O-CG2 3.47Å; H221-I225 WeakPolarHBondContact O-CG1 3.42Å; H221-I225 PolarHBondContact O-N 3.25Å; G222-I225 PolarHBondContact O-N 2.67Å; I225-K227 PolarHBondContact O-N 2.87Å; I225-V228 PolarHBondContact O-N 3.45Å; I225-N229 PolarHBondContact O-N 3.31Å; I225-L230 HydrophobicContact CG1-CD2 3.99Å; I225-L230 HydrophobicContact CG2-CB 3.87Å; I225-L230 HydrophobicContact CG2-CD2 4.49Å; I225-L230 PolarHBondContact O-N 3.35Å; I225-M255 HydrophobicContact CG1-SD 3.76Å
226L98.3Very high97.7Very high57 Ų5731 Ų3130%0.29815%0.151SC..Hα-helixtrans-55.6-48.8174.2-78.3168.9000112D199 C202 A205 G222 V228 N229D199-L226 HydrophobicContact CB-CD2 4.33Å; D199-L226 HydrophobicContact CB-CG 3.98Å; C202-L226 HydrophobicContact CB-CD2 3.81Å; A205-L226 HydrophobicContact CB-CD2 3.93Å; G222-L226 WeakPolarHBondContact O-CB 3.44Å; G222-L226 WeakPolarHBondContact O-CG 3.45Å; G222-L226 PolarHBondContact O-N 3.33Å; L226-V228 PolarHBondContact O-N 3.02Å; L226-V228 VanDerWaalsContact O-N 3.12Å; L226-N229 PolarHBondContact O-N 2.98Å
227K98.4Very high97.7Very high151 Ų15132.9 Ų32.966%0.65716%0.159SC*.Hα-helixtrans-63.7-20.4-175.4-75.9169.2-171.4173.10114E223 S224 I225 V259E223-K227 VanDerWaalsContact O-CD 3.24Å; E223-K227 WeakPolarHBondContact O-CD 3.48Å; E223-K227 WeakPolarHBondContact O-CG 3.49Å; E223-K227 PolarHBondContact O-N 3.04Å; S224-K227 PolarHBondContact O-N 3.42Å; I225-K227 PolarHBondContact O-N 2.87Å; K227-V259 HydrophobicContact CB-CG1 4.22Å; K227-V259 HydrophobicContact CD-CG1 4.32Å
228V98.4Very high97.7Very high13 Ų1334 Ų348%0.07917%0.165CC..Hα-helixtrans-116.4-0.4-177.9-53.90000113.7S224 I225 L226 L230 Y254 M255 V259S224-V228 WeakPolarHBondContact O-CG2 3Å; S224-V228 PolarHBondContact O-N 3.34Å; I225-V228 PolarHBondContact O-N 3.45Å; L226-V228 PolarHBondContact O-N 3.02Å; L226-V228 VanDerWaalsContact O-N 3.12Å; V228-L230 VanDerWaalsContact C-N 3.34Å; V228-L230 HydrophobicContact CG2-CB 4.03Å; V228-L230 HydrophobicContact CG2-CD1 4.37Å; V228-L230 PolarHBondContact O-N 2.96Å; V228-Y254 HydrophobicContact CB-CD1 4.06Å; V228-Y254 HydrophobicContact CB-CE1 3.97Å; V228-Y254 HydrophobicContact CG1-CD1 3.99Å; V228-Y254 HydrophobicContact CG1-CE1 3.75Å; V228-M255 HydrophobicContact CG2-CB 4.03Å; V228-M255 HydrophobicContact CG2-CG 4.02Å; V228-M255 HydrophobicContact CG2-SD 4.46Å; V228-V259 HydrophobicContact CG1-CG1 4.29Å; V228-V259 HydrophobicContact CG1-CG2 3.99Å
229N98.6Very high97.7Very high90 Ų9038.8 Ų38.848%0.48119%0.188SC..THydrogen-bonded Turntrans47.455.2-173.4-63.1-48.3000111.7G204 I225 L226 A231 R232 L233G204-N229 CarbonylContact O-C 3.45Å; G204-N229 WeakPolarHBondContact O-CA 3.36Å; G204-N229 VanDerWaalsContact O-O 3.11Å; I225-N229 PolarHBondContact O-N 3.31Å; L226-N229 PolarHBondContact O-N 2.98Å; N229-A231 VanDerWaalsContact C-N 3.31Å; N229-A231 PolarHBondContact O-N 3.04Å; N229-R232 PolarHBondContact O-N 3.1Å; N229-L233 WeakPolarHBondContact O-CB 3.47Å; N229-L233 PolarHBondContact O-N 3.39Å
230L98.8Very high97.7Very high0 Ų044.3 Ų44.30%021%0.213CC..Hα-helixtrans-52.9-44-164.8-175.463.6000113.5T218 I225 V228 T234 L252 M255 L265T218-L230 HydrophobicContact CG2-CB 4.19Å; T218-L230 HydrophobicContact CG2-CD2 3.89Å; T218-L230 HydrophobicContact CG2-CG 4.03Å; I225-L230 HydrophobicContact CG1-CD2 3.99Å; I225-L230 HydrophobicContact CG2-CB 3.87Å; I225-L230 HydrophobicContact CG2-CD2 4.49Å; I225-L230 PolarHBondContact O-N 3.35Å; V228-L230 VanDerWaalsContact C-N 3.34Å; V228-L230 HydrophobicContact CG2-CB 4.03Å; V228-L230 HydrophobicContact CG2-CD1 4.37Å; V228-L230 PolarHBondContact O-N 2.96Å; L230-T234 WeakPolarHBondContact O-CB 3.26Å; L230-T234 PolarHBondContact O-N 3.07Å; L230-T234 PolarHBondContact O-OG1 3.32Å; L230-L252 HydrophobicContact CD1-CD2 4.4Å; L230-L252 HydrophobicContact CD2-CD2 4.06Å; L230-M255 HydrophobicContact CD2-CE 4.32Å; L230-M255 HydrophobicContact CD2-SD 4.14Å; L230-L265 HydrophobicContact CD1-CD2 4.29Å; L230-L265 HydrophobicContact CD2-CD2 4.25Å; L230-L265 HydrophobicContact CG-CD2 4.12Å
231A98.9Very high97.9Very high0 Ų046.4 Ų46.40%024%0.235CC..Hα-helixtrans-63.9-51.3-179.900000112.3G204 A205 G207 V216 T218 N229 L233 T234 L235G204-A231 PolarHBondContact O-N 2.76Å; A205-A231 WeakPolarHBondContact O-CB 3.28Å; A205-A231 PolarHBondContact O-N 3.21Å; G207-A231 VanDerWaalsContact CA-CB 3.5Å; V216-A231 HydrophobicContact CB-CB 4.11Å; V216-A231 HydrophobicContact CG1-CB 3.94Å; T218-A231 HydrophobicContact CG2-CB 3.99Å; N229-A231 VanDerWaalsContact C-N 3.31Å; N229-A231 PolarHBondContact O-N 3.04Å; A231-L233 VanDerWaalsContact C-N 3.35Å; A231-L233 PolarHBondContact O-N 3.37Å; A231-T234 WeakPolarHBondContact O-CB 3.43Å; A231-T234 PolarHBondContact O-N 3.46Å; A231-L235 PolarHBondContact O-N 2.77Å; A231-L235 VanDerWaalsContact O-N 3.09Å
232R98.8Very high98.2Very high75 Ų7547.8 Ų47.828%0.28324%0.241SC..Hα-helixtrans-69.2-32.5-179.7-177.260-17592.7-10.8112.4G204 N229 T234 L235 F236 E239G204-R232 PolarHBondContact O-N 3.46Å; N229-R232 PolarHBondContact O-N 3.1Å; R232-T234 VanDerWaalsContact C-N 3.34Å; R232-L235 PolarHBondContact O-N 3.27Å; R232-F236 VanDerWaalsContact NH1-CA 3.3Å; R232-F236 VanDerWaalsContact NH1-CB 3.34Å; R232-F236 WeakPolarHBondContact O-CB 3.42Å; R232-F236 PolarHBondContact O-N 3.23Å; R232-E239 IonicContact CZ-OE2 2.71Å; R232-E239 IonicContact NH1-OE2 3.25Å; R232-E239 PolarHBondContact NH1-OE2 2.83Å; R232-E239 IonicContact NH2-OE2 2.76Å; R232-E239 PolarHBondContact NH2-OE2 3.11Å
233L98.9Very high98.4Very high37 Ų3751 Ų5119%0.19426%0.26CS..Hα-helixtrans-63.1-41.3172.8178.361.8000111.4N229 A231 F236 H237 Y254N229-L233 WeakPolarHBondContact O-CB 3.47Å; N229-L233 PolarHBondContact O-N 3.39Å; A231-L233 VanDerWaalsContact C-N 3.35Å; A231-L233 PolarHBondContact O-N 3.37Å; L233-F236 WeakPolarHBondContact O-CB 3.4Å; L233-F236 PolarHBondContact O-N 2.95Å; L233-H237 PolarHBondContact O-CD2 3.36Å; L233-H237 VanDerWaalsContact O-CD2 3.31Å; L233-H237 PolarHBondContact O-N 3.18Å; L233-H237 VanDerWaalsContact O-N 3.09Å; L233-Y254 HydrophobicContact CD2-CD1 3.65Å; L233-Y254 HydrophobicContact CD2-CE1 4.32Å; L233-Y254 HydrophobicContact CD2-CG 4.3Å
234T98.9Very high98.5Very high0 Ų048.7 Ų48.70%025%0.249CC..Hα-helixtrans-62-49.4175.9-55.60000110.7V216 L230 A231 R232 F236 H237 I238 A247 S251 L265 V267V216-T234 HydrophobicContact CG2-CG2 4.11Å; L230-T234 WeakPolarHBondContact O-CB 3.26Å; L230-T234 PolarHBondContact O-N 3.07Å; L230-T234 PolarHBondContact O-OG1 3.32Å; A231-T234 WeakPolarHBondContact O-CB 3.43Å; A231-T234 PolarHBondContact O-N 3.46Å; R232-T234 VanDerWaalsContact C-N 3.34Å; T234-F236 VanDerWaalsContact C-N 3.28Å; T234-F236 PolarHBondContact O-N 3.48Å; T234-H237 PolarHBondContact O-N 3.06Å; T234-I238 PolarHBondContact O-N 3.31Å; T234-A247 HydrophobicContact CG2-CB 4.16Å; T234-S251 VanDerWaalsContact CA-OG 3.25Å; T234-S251 WeakPolarHBondContact CA-OG 3.3Å; T234-S251 PolarHBondContact N-OG 2.88Å; T234-S251 VanDerWaalsContact OG1-CB 3.29Å; T234-S251 WeakPolarHBondContact OG1-CB 3.16Å; T234-S251 PolarHBondContact OG1-OG 2.77Å; T234-L265 HydrophobicContact CG2-CD1 4.46Å; T234-L265 HydrophobicContact CG2-CD2 4.4Å; T234-V267 HydrophobicContact CG2-CG2 3.93Å
235L98.9Very high98.6Very high0 Ų052.3 Ų52.30%027%0.266CS..Hα-helixtrans-62.8-34.3175.4-69.6-176.1000112.7Y208 I213 V216 A231 R232 H237 I238 E239Y208-L235 HydrophobicContact CD1-CD1 3.56Å; Y208-L235 HydrophobicContact CG-CD1 4.13Å; I213-L235 HydrophobicContact CB-CD2 4.44Å; I213-L235 HydrophobicContact CD1-CB 4.49Å; I213-L235 HydrophobicContact CG2-CB 4.03Å; I213-L235 HydrophobicContact CG2-CD2 3.9Å; I213-L235 HydrophobicContact CG2-CG 4.48Å; I213-L235 WeakPolarHBondContact CG2-O 3.43Å; V216-L235 HydrophobicContact CG2-CD1 4.48Å; V216-L235 HydrophobicContact CG2-CD2 3.59Å; V216-L235 HydrophobicContact CG2-CG 3.71Å; A231-L235 PolarHBondContact O-N 2.77Å; A231-L235 VanDerWaalsContact O-N 3.09Å; R232-L235 PolarHBondContact O-N 3.27Å; L235-H237 VanDerWaalsContact C-N 3.32Å; L235-H237 PolarHBondContact O-N 3.02Å; L235-I238 HydrophobicContact CD2-CD1 4.16Å; L235-I238 PolarHBondContact O-N 3.35Å; L235-E239 WeakPolarHBondContact O-CB 3.4Å; L235-E239 PolarHBondContact O-N 2.95Å
236F98.8Very high98.6Very high90 Ų9056.4 Ų56.440%0.39529%0.285SS..Hα-helixtrans-60.3-42.1174.7-178.9-107.8000111.5R232 L233 T234 I238 E239 Q240R232-F236 VanDerWaalsContact NH1-CA 3.3Å; R232-F236 VanDerWaalsContact NH1-CB 3.34Å; R232-F236 WeakPolarHBondContact O-CB 3.42Å; R232-F236 PolarHBondContact O-N 3.23Å; L233-F236 WeakPolarHBondContact O-CB 3.4Å; L233-F236 PolarHBondContact O-N 2.95Å; T234-F236 VanDerWaalsContact C-N 3.28Å; T234-F236 PolarHBondContact O-N 3.48Å; F236-I238 VanDerWaalsContact C-N 3.32Å; F236-I238 PolarHBondContact O-N 3.27Å; F236-E239 WeakPolarHBondContact O-CB 3.2Å; F236-E239 PolarHBondContact O-N 3.09Å; F236-Q240 HydrophobicContact CD1-CG 4.27Å; F236-Q240 HydrophobicContact CE1-CG 3.85Å; F236-Q240 HydrophobicContact CE2-CG 4.21Å; F236-Q240 HydrophobicContact CZ-CG 3.83Å; F236-Q240 VanDerWaalsContact O-CG 3.32Å; F236-Q240 WeakPolarHBondContact O-CG 3.45Å; F236-Q240 PolarHBondContact O-N 2.98Å
237H98.9Very high98.7Very high39 Ų3953.7 Ų53.718%0.18127%0.271CS..Hα-helixtrans-62.8-38.8175.9-76.3-57.3000112.7L233 T234 L235 Q240 G241 K242 A247 S251L233-H237 PolarHBondContact O-CD2 3.36Å; L233-H237 VanDerWaalsContact O-CD2 3.31Å; L233-H237 PolarHBondContact O-N 3.18Å; L233-H237 VanDerWaalsContact O-N 3.09Å; T234-H237 PolarHBondContact O-N 3.06Å; L235-H237 VanDerWaalsContact C-N 3.32Å; L235-H237 PolarHBondContact O-N 3.02Å; H237-Q240 CarbonylContact O-C 3.42Å; H237-Q240 PolarHBondContact O-N 3.42Å; H237-G241 PolarHBondContact O-N 3.22Å; H237-K242 HydrophobicContact CB-CB 4.27Å; H237-K242 HydrophobicContact CB-CG 4.19Å; H237-K242 WeakPolarHBondContact O-CB 3.39Å; H237-K242 VanDerWaalsContact O-CG 3.29Å; H237-K242 WeakPolarHBondContact O-CG 3.44Å; H237-K242 PolarHBondContact O-N 3.04Å; H237-K242 VanDerWaalsContact O-N 3.09Å; H237-A247 HydrophobicContact CB-CB 3.6Å; H237-S251 PolarHBondContact CD2-OG 3.01Å
238I98.8Very high98.7Very high25 Ų2546.5 Ų46.513%0.12824%0.24CC..Hα-helixtrans-64.1-43.2174.9-61.2172.8000110.7I213 T234 L235 F236 Q240 G241 V244 A247 V267I213-I238 HydrophobicContact CG2-CB 3.91Å; I213-I238 HydrophobicContact CG2-CG2 3.84Å; T234-I238 PolarHBondContact O-N 3.31Å; L235-I238 HydrophobicContact CD2-CD1 4.16Å; L235-I238 PolarHBondContact O-N 3.35Å; F236-I238 VanDerWaalsContact C-N 3.32Å; F236-I238 PolarHBondContact O-N 3.27Å; I238-Q240 PolarHBondContact O-N 2.87Å; I238-G241 WeakPolarHBondContact O-CA 3.35Å; I238-G241 PolarHBondContact O-N 3.37Å; I238-V244 HydrophobicContact CD1-CG1 3.98Å; I238-A247 HydrophobicContact CD1-CB 4.3Å; I238-A247 HydrophobicContact CG1-CB 3.56Å; I238-V267 HydrophobicContact CD1-CG1 3.76Å
239E98Very high98.7Very high100 Ų10049.7 Ų49.747%0.46726%0.257SS..Hα-helixtrans-58.4-32.4173.9-176.4176.9-153.700112.1I213 R232 L235 F236 G241I213-E239 HydrophobicContact CD1-CB 4.27Å; R232-E239 IonicContact CZ-OE2 2.71Å; R232-E239 IonicContact NH1-OE2 3.25Å; R232-E239 PolarHBondContact NH1-OE2 2.83Å; R232-E239 IonicContact NH2-OE2 2.76Å; R232-E239 PolarHBondContact NH2-OE2 3.11Å; L235-E239 WeakPolarHBondContact O-CB 3.4Å; L235-E239 PolarHBondContact O-N 2.95Å; F236-E239 WeakPolarHBondContact O-CB 3.2Å; F236-E239 PolarHBondContact O-N 3.09Å; E239-G241 PolarHBondContact O-N 3.25Å
240Q98.5Very high98.7Very high115 Ų11549.2 Ų49.254%0.53725%0.254SS..THydrogen-bonded Turntrans-81.511.9172.4-59.1-47.3-68.700114.2F236 H237 I238F236-Q240 HydrophobicContact CD1-CG 4.27Å; F236-Q240 HydrophobicContact CE1-CG 3.85Å; F236-Q240 HydrophobicContact CE2-CG 4.21Å; F236-Q240 HydrophobicContact CZ-CG 3.83Å; F236-Q240 VanDerWaalsContact O-CG 3.32Å; F236-Q240 WeakPolarHBondContact O-CG 3.45Å; F236-Q240 PolarHBondContact O-N 2.98Å; H237-Q240 CarbonylContact O-C 3.42Å; H237-Q240 PolarHBondContact O-N 3.42Å; I238-Q240 PolarHBondContact O-N 2.87Å
241G98.1Very high98.7Very high67 Ų6749.2 Ų49.269%0.69125%0.254SS*.THydrogen-bonded Turntrans84.615.9174.700000115.4H237 I238 E239H237-G241 PolarHBondContact O-N 3.22Å; I238-G241 WeakPolarHBondContact O-CA 3.35Å; I238-G241 PolarHBondContact O-N 3.37Å; E239-G241 PolarHBondContact O-N 3.25Å
242K98.7Very high98.6Very high86 Ų8649.4 Ų49.437%0.37426%0.255SS..  trans-79.2150.4172.4-59.5-58.4-176.6-177.90111.5H237 E246 A247 L250H237-K242 HydrophobicContact CB-CB 4.27Å; H237-K242 HydrophobicContact CB-CG 4.19Å; H237-K242 WeakPolarHBondContact O-CB 3.39Å; H237-K242 VanDerWaalsContact O-CG 3.29Å; H237-K242 WeakPolarHBondContact O-CG 3.44Å; H237-K242 PolarHBondContact O-N 3.04Å; H237-K242 VanDerWaalsContact O-N 3.09Å; K242-E246 WeakPolarHBondContact CA-OE2 3.33Å; K242-E246 HydrophobicContact CB-CB 3.98Å; K242-E246 HydrophobicContact CD-CB 4.39Å; K242-E246 WeakPolarHBondContact CD-OE2 3.26Å; K242-A247 HydrophobicContact CB-CB 4.4Å; K242-L250 HydrophobicContact CG-CD1 4.29Å
243T98.7Very high98.6Very high69 Ų6947.5 Ų47.542%0.42326%0.258SS..  trans-67.3164.8169.182.50000110.6E245 E246 A247T243-E245 WeakPolarHBondContact CB-OE2 3.36Å; T243-E245 PolarHBondContact O-N 3.23Å; T243-E245 PolarHBondContact OG1-N 3.11Å; T243-E245 PolarHBondContact OG1-OE2 2.98Å; T243-E246 PolarHBondContact N-OE2 2.87Å; T243-E246 PolarHBondContact O-N 3.18Å; T243-E246 PolarHBondContact OG1-N 2.88Å; T243-A247 VanDerWaalsContact O-CB 3.26Å; T243-A247 WeakPolarHBondContact O-CB 3.24Å; T243-A247 PolarHBondContact O-N 2.94Å
244V98.6Very high98.6Very high6 Ų651 Ų514%0.03627%0.27CS..Hα-helixtrans-59.7-36.2176.6-67.10000111.7I238 A248 V267 D273 V275I238-V244 HydrophobicContact CD1-CG1 3.98Å; V244-A248 VanDerWaalsContact O-CB 3.25Å; V244-A248 WeakPolarHBondContact O-CB 3.37Å; V244-A248 PolarHBondContact O-N 3.1Å; V244-V267 HydrophobicContact CB-CB 4.47Å; V244-V267 HydrophobicContact CB-CG1 4.27Å; V244-V267 HydrophobicContact CG1-CG1 3.95Å; V244-D273 HydrophobicContact CG1-CB 4.37Å; V244-D273 HydrophobicContact CG2-CB 4.2Å; V244-V275 HydrophobicContact CB-CB 4.46Å; V244-V275 HydrophobicContact CB-CG1 4.18Å; V244-V275 HydrophobicContact CG2-CB 4.09Å; V244-V275 HydrophobicContact CG2-CG1 4.35Å
245E98.6Very high98.5Very high78 Ų7851 Ų5136%0.36427%0.27SS..Hα-helixtrans-67.6-49.6176.2-59.174.7-166.800111.8T243 A247 A248 D249 V275T243-E245 WeakPolarHBondContact CB-OE2 3.36Å; T243-E245 PolarHBondContact O-N 3.23Å; T243-E245 PolarHBondContact OG1-N 3.11Å; T243-E245 PolarHBondContact OG1-OE2 2.98Å; E245-A247 VanDerWaalsContact C-N 3.32Å; E245-A247 PolarHBondContact O-N 3.08Å; E245-A248 PolarHBondContact O-N 3.02Å; E245-D249 WeakPolarHBondContact O-CB 3.34Å; E245-D249 PolarHBondContact O-N 2.89Å; E245-V275 HydrophobicContact CG-CB 4.45Å; E245-V275 HydrophobicContact CG-CG2 3.9Å
246E98.7Very high98.4Very high86 Ų8656.2 Ų56.240%0.40229%0.292SS..Hα-helixtrans-60.5-43.9178.2-71.4-177.413200111.1K242 T243 D249 L250K242-E246 WeakPolarHBondContact CA-OE2 3.33Å; K242-E246 HydrophobicContact CB-CB 3.98Å; K242-E246 HydrophobicContact CD-CB 4.39Å; K242-E246 WeakPolarHBondContact CD-OE2 3.26Å; T243-E246 PolarHBondContact N-OE2 2.87Å; T243-E246 PolarHBondContact O-N 3.18Å; T243-E246 PolarHBondContact OG1-N 2.88Å; E246-D249 PolarHBondContact O-N 3.02Å; E246-L250 VanDerWaalsContact O-CB 3.3Å; E246-L250 WeakPolarHBondContact O-CB 3.45Å; E246-L250 WeakPolarHBondContact O-CG 3.44Å; E246-L250 PolarHBondContact O-N 2.94Å
247A98.9Very high98.4Very high0 Ų055.4 Ų55.40%030%0.298CS..Hα-helixtrans-62.4-43.417800000112.2T234 H237 I238 K242 T243 E245 S251T234-A247 HydrophobicContact CG2-CB 4.16Å; H237-A247 HydrophobicContact CB-CB 3.6Å; I238-A247 HydrophobicContact CD1-CB 4.3Å; I238-A247 HydrophobicContact CG1-CB 3.56Å; K242-A247 HydrophobicContact CB-CB 4.4Å; T243-A247 VanDerWaalsContact O-CB 3.26Å; T243-A247 WeakPolarHBondContact O-CB 3.24Å; T243-A247 PolarHBondContact O-N 2.94Å; E245-A247 VanDerWaalsContact C-N 3.32Å; E245-A247 PolarHBondContact O-N 3.08Å; A247-S251 VanDerWaalsContact O-CB 3.31Å; A247-S251 WeakPolarHBondContact O-CB 3.26Å; A247-S251 PolarHBondContact O-N 2.76Å; A247-S251 PolarHBondContact O-OG 2.78Å
248A98.7Very high98.4Very high0 Ų061.9 Ų61.90%032%0.321CS..Hα-helixtrans-62.6-49.2176.200000111.9V244 E245 S251 L252 L265 V275 K277V244-A248 VanDerWaalsContact O-CB 3.25Å; V244-A248 WeakPolarHBondContact O-CB 3.37Å; V244-A248 PolarHBondContact O-N 3.1Å; E245-A248 PolarHBondContact O-N 3.02Å; A248-S251 PolarHBondContact O-N 2.76Å; A248-L252 WeakPolarHBondContact O-CB 3.2Å; A248-L252 WeakPolarHBondContact O-CG 3.33Å; A248-L252 PolarHBondContact O-N 2.7Å; A248-L265 HydrophobicContact CB-CD1 3.72Å; A248-V275 HydrophobicContact CB-CG1 3.88Å; A248-K277 HydrophobicContact CB-CB 3.94Å; A248-K277 HydrophobicContact CB-CG 3.78Å
249D98.6Very high98.3Very high81 Ų8162.6 Ų62.643%0.43333%0.326SS..Hα-helixtrans-65.8-41.3-177.6-70.9-19.7000111.5E245 E246 G253 K277E245-D249 WeakPolarHBondContact O-CB 3.34Å; E245-D249 PolarHBondContact O-N 2.89Å; E246-D249 PolarHBondContact O-N 3.02Å; D249-G253 WeakPolarHBondContact O-CA 3.42Å; D249-G253 PolarHBondContact O-N 3.11Å; D249-K277 VanDerWaalsContact CG-NZ 3.27Å; D249-K277 IonicContact OD1-NZ 3.22Å; D249-K277 PolarHBondContact OD1-NZ 3.03Å; D249-K277 IonicContact OD2-NZ 2.76Å; D249-K277 PolarHBondContact OD2-NZ 2.9Å
250L98.8Very high98.1Very high80 Ų8065.9 Ų65.942%0.41934%0.339SS..Hα-helixtrans-62.3-46175.1-74.4170.3000112K242 E246 G253 Y254K242-L250 HydrophobicContact CG-CD1 4.29Å; E246-L250 VanDerWaalsContact O-CB 3.3Å; E246-L250 WeakPolarHBondContact O-CB 3.45Å; E246-L250 WeakPolarHBondContact O-CG 3.44Å; E246-L250 PolarHBondContact O-N 2.94Å; L250-G253 PolarHBondContact O-N 3.38Å; L250-Y254 WeakPolarHBondContact O-CB 3.2Å; L250-Y254 PolarHBondContact O-N 3.34Å
251S98.8Very high97.8Very high0 Ų060.5 Ų60.50%031%0.314CS..Hα-helixtrans-70-45.7-175.5-54.90000112.1T234 H237 A247 A248 Y254 M255T234-S251 VanDerWaalsContact CA-OG 3.25Å; T234-S251 WeakPolarHBondContact CA-OG 3.3Å; T234-S251 PolarHBondContact N-OG 2.88Å; T234-S251 VanDerWaalsContact OG1-CB 3.29Å; T234-S251 WeakPolarHBondContact OG1-CB 3.16Å; T234-S251 PolarHBondContact OG1-OG 2.77Å; H237-S251 PolarHBondContact CD2-OG 3.01Å; A247-S251 VanDerWaalsContact O-CB 3.31Å; A247-S251 WeakPolarHBondContact O-CB 3.26Å; A247-S251 PolarHBondContact O-N 2.76Å; A247-S251 PolarHBondContact O-OG 2.78Å; A248-S251 PolarHBondContact O-N 2.76Å; S251-Y254 PolarHBondContact O-N 2.78Å; S251-M255 PolarHBondContact O-N 2.96Å
252L98Very high97.6Very high4 Ų460.3 Ų60.32%0.02130%0.297CS..Hα-helixtrans-65.3-40174.8-70.3171.7000111.4L230 A248 M255 K256 L265 K277 T279L230-L252 HydrophobicContact CD1-CD2 4.4Å; L230-L252 HydrophobicContact CD2-CD2 4.06Å; A248-L252 WeakPolarHBondContact O-CB 3.2Å; A248-L252 WeakPolarHBondContact O-CG 3.33Å; A248-L252 PolarHBondContact O-N 2.7Å; L252-M255 HydrophobicContact CD2-CE 4.13Å; L252-M255 PolarHBondContact O-N 3.11Å; L252-K256 WeakPolarHBondContact O-CB 3.49Å; L252-K256 PolarHBondContact O-N 3.24Å; L252-L265 HydrophobicContact CD1-CD2 4.33Å; L252-L265 HydrophobicContact CD1-CG 4.25Å; L252-L265 HydrophobicContact CD2-CD2 4.06Å; L252-L265 HydrophobicContact CD2-CG 4.44Å; L252-L265 HydrophobicContact CG-CD2 3.91Å; L252-L265 HydrophobicContact CG-CG 4.35Å; L252-K277 HydrophobicContact CD1-CB 3.79Å; L252-T279 HydrophobicContact CB-CG2 3.92Å; L252-T279 HydrophobicContact CD1-CG2 4.49Å
253G98.3Very high97.4Very high35 Ų3556.3 Ų56.336%0.36128%0.28SS..Hα-helixtrans-62.1-40.8174.600000112.8D249 L250 K256 S257D249-G253 WeakPolarHBondContact O-CA 3.42Å; D249-G253 PolarHBondContact O-N 3.11Å; L250-G253 PolarHBondContact O-N 3.38Å; G253-K256 PolarHBondContact O-N 3.3Å; G253-S257 WeakPolarHBondContact O-CB 3.46Å; G253-S257 PolarHBondContact O-N 3.19Å; G253-S257 PolarHBondContact O-OG 2.87Å
254Y98.7Very high97.3Very high110 Ų11053 Ų5343%0.43126%0.26SS..Hα-helixtrans-62.4-49.3173.9-180-106000111.5V228 L233 L250 S251 K256 S257 R258V228-Y254 HydrophobicContact CB-CD1 4.06Å; V228-Y254 HydrophobicContact CB-CE1 3.97Å; V228-Y254 HydrophobicContact CG1-CD1 3.99Å; V228-Y254 HydrophobicContact CG1-CE1 3.75Å; L233-Y254 HydrophobicContact CD2-CD1 3.65Å; L233-Y254 HydrophobicContact CD2-CE1 4.32Å; L233-Y254 HydrophobicContact CD2-CG 4.3Å; L250-Y254 WeakPolarHBondContact O-CB 3.2Å; L250-Y254 PolarHBondContact O-N 3.34Å; S251-Y254 PolarHBondContact O-N 2.78Å; Y254-K256 VanDerWaalsContact C-N 3.35Å; Y254-K256 PolarHBondContact O-N 3.12Å; Y254-S257 PolarHBondContact O-N 3.11Å; Y254-S257 PolarHBondContact O-OG 2.9Å; Y254-S257 VanDerWaalsContact O-OG 3.06Å; Y254-R258 HydrophobicContact CD2-CB 4.4Å; Y254-R258 HydrophobicContact CE1-CB 4.43Å; Y254-R258 HydrophobicContact CE1-CG 4.43Å; Y254-R258 HydrophobicContact CE2-CB 4.12Å; Y254-R258 HydrophobicContact CE2-CG 4.24Å; Y254-R258 WeakPolarHBondContact O-CB 3.44Å; Y254-R258 PolarHBondContact O-N 3.3Å
255M97.7Very high97.3Very high0 Ų052.7 Ų52.70%026%0.258CS..Hα-helixtrans-56.7-47.6176.7-172.8-17961.200112I225 V228 L230 S251 L252 V259 K260 G261I225-M255 HydrophobicContact CG1-SD 3.76Å; V228-M255 HydrophobicContact CG2-CB 4.03Å; V228-M255 HydrophobicContact CG2-CG 4.02Å; V228-M255 HydrophobicContact CG2-SD 4.46Å; L230-M255 HydrophobicContact CD2-CE 4.32Å; L230-M255 HydrophobicContact CD2-SD 4.14Å; S251-M255 PolarHBondContact O-N 2.96Å; L252-M255 HydrophobicContact CD2-CE 4.13Å; L252-M255 PolarHBondContact O-N 3.11Å; M255-V259 HydrophobicContact CG-CG2 3.84Å; M255-V259 WeakPolarHBondContact O-CG2 3.49Å; M255-V259 PolarHBondContact O-N 3.28Å; M255-K260 PolarHBondContact O-N 3.42Å; M255-G261 PolarHBondContact O-N 2.99Å
256K96.4Very high97.3Very high110 Ų11049 Ų4948%0.47824%0.24SC..Hα-helixtrans-62.9-44.9179.5-176175-179.2175.60112.1L252 G253 Y254 K260 G261 L262L252-K256 WeakPolarHBondContact O-CB 3.49Å; L252-K256 PolarHBondContact O-N 3.24Å; G253-K256 PolarHBondContact O-N 3.3Å; Y254-K256 VanDerWaalsContact C-N 3.35Å; Y254-K256 PolarHBondContact O-N 3.12Å; K256-K260 VanDerWaalsContact O-CA 3.26Å; K256-K260 WeakPolarHBondContact O-CA 3.26Å; K256-K260 PolarHBondContact O-N 3.37Å; K256-G261 VanDerWaalsContact CA-O 3.3Å; K256-G261 WeakPolarHBondContact CA-O 3.4Å; K256-L262 HydrophobicContact CD-CD2 4.13Å; K256-L262 HydrophobicContact CG-CD2 4.21Å
257S97.9Very high97.3Very high73 Ų7344.9 Ų44.951%0.5122%0.221SC..Hα-helixtrans-72.1-45.7-177.459.90000112.3G253 Y254 K260G253-S257 WeakPolarHBondContact O-CB 3.46Å; G253-S257 PolarHBondContact O-N 3.19Å; G253-S257 PolarHBondContact O-OG 2.87Å; Y254-S257 PolarHBondContact O-N 3.11Å; Y254-S257 PolarHBondContact O-OG 2.9Å; Y254-S257 VanDerWaalsContact O-OG 3.06Å; S257-K260 PolarHBondContact O-NZ 3.39Å
258R98.2Very high97.3Very high174 Ų17444.9 Ų44.966%0.65722%0.221SC*.Hα-helixtrans-79.6-44-170.7-176.259.6178.3149.7-0.2113.9Y254Y254-R258 HydrophobicContact CD2-CB 4.4Å; Y254-R258 HydrophobicContact CE1-CB 4.43Å; Y254-R258 HydrophobicContact CE1-CG 4.43Å; Y254-R258 HydrophobicContact CE2-CB 4.12Å; Y254-R258 HydrophobicContact CE2-CG 4.24Å; Y254-R258 WeakPolarHBondContact O-CB 3.44Å; Y254-R258 PolarHBondContact O-N 3.3Å
259V96.5Very high97.3Very high40 Ų4045.2 Ų45.224%0.24222%0.223CC..Hα-helixtrans-122.98.3-173.5-61.60000113.6K227 V228 M255 G261K227-V259 HydrophobicContact CB-CG1 4.22Å; K227-V259 HydrophobicContact CD-CG1 4.32Å; V228-V259 HydrophobicContact CG1-CG1 4.29Å; V228-V259 HydrophobicContact CG1-CG2 3.99Å; M255-V259 HydrophobicContact CG-CG2 3.84Å; M255-V259 WeakPolarHBondContact O-CG2 3.49Å; M255-V259 PolarHBondContact O-N 3.28Å; V259-G261 PolarHBondContact O-N 2.98Å; V259-G261 VanDerWaalsContact O-N 3.1Å
260K95.2Very high97.2Very high170 Ų17046.2 Ų46.274%0.73922%0.224SC*.  trans5625.3-179.9-50-52.3-176.5-160.30113.6M255 K256 S257M255-K260 PolarHBondContact O-N 3.42Å; K256-K260 VanDerWaalsContact O-CA 3.26Å; K256-K260 WeakPolarHBondContact O-CA 3.26Å; K256-K260 PolarHBondContact O-N 3.37Å; S257-K260 PolarHBondContact O-NZ 3.39Å
261G92.6Very high97.1Very high1 Ų146.8 Ų46.81%0.0123%0.231CC..  trans-83146.1177.400000111.9S224 M255 K256 V259S224-G261 WeakPolarHBondContact OG-CA 3.14Å; M255-G261 PolarHBondContact O-N 2.99Å; K256-G261 VanDerWaalsContact CA-O 3.3Å; K256-G261 WeakPolarHBondContact CA-O 3.4Å; V259-G261 PolarHBondContact O-N 2.98Å; V259-G261 VanDerWaalsContact O-N 3.1Å
262L93.6Very high97Very high64 Ų6446.8 Ų46.834%0.33523%0.231SC..  trans-114.9149.2167.5-58.8179000109.2H221 K256H221-L262 PolarHBondContact N-O 3.49Å; K256-L262 HydrophobicContact CD-CD2 4.13Å; K256-L262 HydrophobicContact CG-CD2 4.21Å
263G93.9Very high97Very high1 Ų150.8 Ų50.81%0.0125%0.253CS..EExtended strand (participates in β ladder)trans177.7-172.2-179.800000112T219 W278 T279T219-G263 CarbonylContact O-C 3.6Å; T219-G263 WeakPolarHBondContact O-CA 3.43Å; G263-W278 CarbonylContact O-C 3.56Å; G263-W278 VanDerWaalsContact O-CA 3.32Å; G263-W278 WeakPolarHBondContact O-CA 2.77Å; G263-T279 PolarHBondContact N-OG1 2.79Å; G263-T279 PolarHBondContact O-N 2.89Å; G263-T279 PolarHBondContact O-OG1 3.22Å
264G96.2Very high97Very high0 Ų051.7 Ų51.70%025%0.245CC..EExtended strand (participates in β ladder)trans-150.4173.4177.500000111.4T219 K277T219-G264 PolarHBondContact N-O 3.45Å; T219-G264 PolarHBondContact O-N 3.16Å; T219-G264 VanDerWaalsContact O-O 3.07Å; G264-K277 CarbonylContact C-O 3.6Å; G264-K277 WeakPolarHBondContact CA-O 3.24Å
265L98.2Very high97Very high0 Ų047 Ų470%023%0.228CC..EExtended strand (participates in β ladder)trans-156.1157.7-176.957.184.4000110.4V216 S217 T218 L230 T234 A248 L252 V267 K277V216-L265 HydrophobicContact CG1-CB 4.29Å; S217-L265 VanDerWaalsContact O-CA 3.23Å; S217-L265 WeakPolarHBondContact O-CA 3.33Å; S217-L265 WeakPolarHBondContact O-CB 3.24Å; T218-L265 HydrophobicContact CG2-CB 4.15Å; L230-L265 HydrophobicContact CD1-CD2 4.29Å; L230-L265 HydrophobicContact CD2-CD2 4.25Å; L230-L265 HydrophobicContact CG-CD2 4.12Å; T234-L265 HydrophobicContact CG2-CD1 4.46Å; T234-L265 HydrophobicContact CG2-CD2 4.4Å; A248-L265 HydrophobicContact CB-CD1 3.72Å; L252-L265 HydrophobicContact CD1-CD2 4.33Å; L252-L265 HydrophobicContact CD1-CG 4.25Å; L252-L265 HydrophobicContact CD2-CD2 4.06Å; L252-L265 HydrophobicContact CD2-CG 4.44Å; L252-L265 HydrophobicContact CG-CD2 3.91Å; L252-L265 HydrophobicContact CG-CG 4.35Å; L265-V267 HydrophobicContact CD1-CG2 3.33Å; L265-K277 PolarHBondContact N-O 2.93Å; L265-K277 PolarHBondContact O-N 3.44Å
266I98.8Very high97Very high0 Ų047.6 Ų47.60%023%0.232CC..EExtended strand (participates in β ladder)trans-118.7143.3166.861.5-175.5000108.5V6 H8 V172 V216 S217 V275 A276 M283V6-I266 HydrophobicContact CB-CB 4.37Å; V6-I266 HydrophobicContact CB-CD1 4.43Å; V6-I266 HydrophobicContact CG1-CB 3.8Å; V6-I266 HydrophobicContact CG1-CD1 4.37Å; V6-I266 HydrophobicContact CG1-CG2 3.76Å; V6-I266 VanDerWaalsContact O-CD1 3.3Å; V6-I266 WeakPolarHBondContact O-CD1 3.22Å; H8-I266 HydrophobicContact CB-CG2 3.99Å; V172-I266 HydrophobicContact CG1-CD1 4.33Å; V172-I266 HydrophobicContact CG1-CG1 4.01Å; V172-I266 HydrophobicContact CG2-CB 4.32Å; V172-I266 HydrophobicContact CG2-CD1 4.02Å; V172-I266 HydrophobicContact CG2-CG1 3.86Å; V216-I266 WeakPolarHBondContact CA-O 3.27Å; S217-I266 PolarHBondContact N-O 3.02Å; S217-I266 VanDerWaalsContact N-O 3.13Å; S217-I266 PolarHBondContact O-N 3.02Å; I266-V275 CarbonylContact C-O 3.53Å; I266-V275 WeakPolarHBondContact CA-O 3.17Å; I266-A276 HydrophobicContact CG2-CB 3.98Å; I266-M283 HydrophobicContact CG2-CE 4.42Å
267V98.9Very high97Very high0 Ų045.1 Ų45.10%022%0.222CC..EExtended strand (participates in β ladder)trans-133142.7-178.4-169.60000109.5A215 V216 T234 I238 V244 L265 W274 V275A215-V267 WeakPolarHBondContact O-CA 3.39Å; V216-V267 HydrophobicContact CG2-CB 4.42Å; V216-V267 HydrophobicContact CG2-CG1 3.97Å; V216-V267 HydrophobicContact CG2-CG2 4.08Å; T234-V267 HydrophobicContact CG2-CG2 3.93Å; I238-V267 HydrophobicContact CD1-CG1 3.76Å; V244-V267 HydrophobicContact CB-CB 4.47Å; V244-V267 HydrophobicContact CB-CG1 4.27Å; V244-V267 HydrophobicContact CG1-CG1 3.95Å; L265-V267 HydrophobicContact CD1-CG2 3.33Å; V267-W274 CarbonylContact O-C 3.4Å; V267-W274 WeakPolarHBondContact O-CA 3.35Å; V267-W274 VanDerWaalsContact O-CB 3.24Å; V267-W274 WeakPolarHBondContact O-CB 3.38Å; V267-V275 HydrophobicContact CB-CG1 4.08Å; V267-V275 HydrophobicContact CG2-CG1 3.93Å; V267-V275 PolarHBondContact N-O 3.21Å; V267-V275 PolarHBondContact O-N 3.38Å
268V98.8Very high96.9Very high0 Ų044 Ų440%021%0.206CC..EExtended strand (participates in β ladder)trans-128.3130.9158.966.10000108.9I4 V172 L174 V180 G214 A215 D273I4-V268 HydrophobicContact CG2-CG2 3.6Å; V172-V268 HydrophobicContact CB-CG1 3.88Å; V172-V268 HydrophobicContact CG2-CB 4.11Å; V172-V268 HydrophobicContact CG2-CG1 3.92Å; L174-V268 HydrophobicContact CB-CG2 3.99Å; L174-V268 HydrophobicContact CD2-CG2 4.47Å; V180-V268 HydrophobicContact CG1-CG1 4.43Å; G214-V268 CarbonylContact C-O 3.55Å; G214-V268 WeakPolarHBondContact CA-O 3.43Å; A215-V268 HydrophobicContact CB-CG1 3.99Å; A215-V268 PolarHBondContact N-O 3.13Å; A215-V268 PolarHBondContact O-N 3.1Å; V268-D273 CarbonylContact C-O 3.57Å; V268-D273 WeakPolarHBondContact CA-O 3.16Å
269S98.5Very high96.7Very high6 Ų637.6 Ų37.64%0.04219%0.187CC..EExtended strand (participates in β ladder)trans-81.7166.1173.670.80000111.1T271 G272 D273S269-T271 PolarHBondContact O-N 3.05Å; S269-T271 VanDerWaalsContact O-N 3.08Å; S269-T271 PolarHBondContact OG-N 3.39Å; S269-T271 PolarHBondContact OG-OG1 2.95Å; S269-G272 PolarHBondContact O-N 2.86Å; S269-G272 PolarHBondContact OG-N 3.2Å; S269-D273 PolarHBondContact N-O 3.45Å; S269-D273 WeakPolarHBondContact OG-CB 3.36Å; S269-D273 PolarHBondContact OG-N 2.76Å; S269-D273 VanDerWaalsContact OG-N 3.07Å; S269-D273 PolarHBondContact OG-O 2.92Å
270K97.1Very high96.3Very high103 Ų10336.8 Ų36.845%0.44818%0.183SC..THydrogen-bonded Turntrans-59.4-16.6170.368.7175.6171.4-1630114.9M1 N211 D212 I213M1-K270 WeakPolarHBondContact CE-O 3.46Å; N211-K270 WeakPolarHBondContact O-CB 3.29Å; D212-K270 WeakPolarHBondContact O-CD 3.42Å; D212-K270 WeakPolarHBondContact O-CE 3.12Å; D212-K270 PolarHBondContact O-NZ 3.23Å; I213-K270 PolarHBondContact O-N 3.11Å
271T96.3Very high96Very high91 Ų9132.3 Ų32.356%0.55817%0.17SC*.THydrogen-bonded Turntrans-92.4-7.4176.549.40000112.9S269 D273S269-T271 PolarHBondContact O-N 3.05Å; S269-T271 VanDerWaalsContact O-N 3.08Å; S269-T271 PolarHBondContact OG-N 3.39Å; S269-T271 PolarHBondContact OG-OG1 2.95Å; T271-D273 PolarHBondContact OG1-OD2 3.05Å
272G97.1Very high96Very high1 Ų132.4 Ų32.41%0.0117%0.17CC..SBendtrans8315-177.300000114.5S269 K289S269-G272 PolarHBondContact O-N 2.86Å; S269-G272 PolarHBondContact OG-N 3.2Å; G272-K289 PolarHBondContact O-NZ 2.97Å
273D98.2Very high96Very high88 Ų8829.3 Ų29.347%0.47115%0.154SC..  trans-73.4145.3163-56.2-53.7000108.4V244 V268 S269 T271V244-D273 HydrophobicContact CG1-CB 4.37Å; V244-D273 HydrophobicContact CG2-CB 4.2Å; V268-D273 CarbonylContact C-O 3.57Å; V268-D273 WeakPolarHBondContact CA-O 3.16Å; S269-D273 PolarHBondContact N-O 3.45Å; S269-D273 WeakPolarHBondContact OG-CB 3.36Å; S269-D273 PolarHBondContact OG-N 2.76Å; S269-D273 VanDerWaalsContact OG-N 3.07Å; S269-D273 PolarHBondContact OG-O 2.92Å; T271-D273 PolarHBondContact OG1-OD2 3.05Å
274W98.3Very high96.1Very high54 Ų5429.3 Ų29.321%0.20515%0.154CC..EExtended strand (participates in β ladder)trans-148156.7-173.368-85.4000111.9I4 V6 V267 W285 A287 H294I4-W274 HydrophobicContact CD1-CB 3.65Å; I4-W274 HydrophobicContact CD1-CD2 4.04Å; I4-W274 HydrophobicContact CD1-CG 3.27Å; V6-W274 HydrophobicContact CG1-CE3 4.26Å; V6-W274 HydrophobicContact CG2-CB 3.91Å; V6-W274 HydrophobicContact CG2-CD2 4.14Å; V6-W274 HydrophobicContact CG2-CE3 4.03Å; V6-W274 HydrophobicContact CG2-CG 4.11Å; V267-W274 CarbonylContact O-C 3.4Å; V267-W274 WeakPolarHBondContact O-CA 3.35Å; V267-W274 VanDerWaalsContact O-CB 3.24Å; V267-W274 WeakPolarHBondContact O-CB 3.38Å; W274-W285 HydrophobicContact CH2-CE3 4.49Å; W274-W285 AromaticContact CH2-CH2 3.82Å; W274-W285 HydrophobicContact CH2-CH2 3.82Å; W274-W285 AromaticContact CH2-CZ3 3.46Å; W274-W285 HydrophobicContact CH2-CZ3 3.46Å; W274-W285 VanDerWaalsContact CH2-CZ3 3.46Å; W274-W285 HydrophobicContact CZ3-CE3 4.14Å; W274-W285 HydrophobicContact CZ3-CH2 4.1Å; W274-W285 AromaticContact CZ3-CZ3 3.51Å; W274-W285 HydrophobicContact CZ3-CZ3 3.51Å; W274-A287 HydrophobicContact CD2-CB 4.05Å; W274-A287 HydrophobicContact CE3-CB 3.85Å; W274-A287 HydrophobicContact CH2-CB 3.58Å; W274-A287 HydrophobicContact CZ2-CB 3.74Å; W274-A287 HydrophobicContact CZ3-CB 3.63Å; W274-H294 HydrophobicContact CH2-CB 4.16Å; W274-H294 HydrophobicContact CZ2-CB 4.38Å
275V98.3Very high96.2Very high12 Ų1230 Ų307%0.07316%0.156CC..EExtended strand (participates in β ladder)trans-149.5149.4173.479.30000111V244 E245 A248 I266 V267 K277V244-V275 HydrophobicContact CB-CB 4.46Å; V244-V275 HydrophobicContact CB-CG1 4.18Å; V244-V275 HydrophobicContact CG2-CB 4.09Å; V244-V275 HydrophobicContact CG2-CG1 4.35Å; E245-V275 HydrophobicContact CG-CB 4.45Å; E245-V275 HydrophobicContact CG-CG2 3.9Å; A248-V275 HydrophobicContact CB-CG1 3.88Å; I266-V275 CarbonylContact C-O 3.53Å; I266-V275 WeakPolarHBondContact CA-O 3.17Å; V267-V275 HydrophobicContact CB-CG1 4.08Å; V267-V275 HydrophobicContact CG2-CG1 3.93Å; V267-V275 PolarHBondContact N-O 3.21Å; V267-V275 PolarHBondContact O-N 3.38Å; V275-K277 HydrophobicContact CG1-CG 4.22Å; V275-K277 HydrophobicContact CG2-CD 4.15Å; V275-K277 HydrophobicContact CG2-CG 3.66Å
276A97.5Very high96.1Very high11 Ų1130 Ų309%0.09116%0.156CC..EExtended strand (participates in β ladder)trans-115.7119.9161.900000108.3I266 M283 W285I266-A276 HydrophobicContact CG2-CB 3.98Å; A276-M283 HydrophobicContact CB-CE 3.97Å; A276-W285 HydrophobicContact CB-CB 4.08Å; A276-W285 HydrophobicContact CB-CD2 3.73Å; A276-W285 HydrophobicContact CB-CE3 3.95Å; A276-W285 HydrophobicContact CB-CG 3.77Å
277K96.9Very high96.1Very high59 Ų5930 Ų3026%0.25716%0.156SC..EExtended strand (participates in β ladder)trans-136.1147-177.9-72.7-64.5-168.3113.60111.3A248 D249 L252 G264 L265 V275A248-K277 HydrophobicContact CB-CB 3.94Å; A248-K277 HydrophobicContact CB-CG 3.78Å; D249-K277 VanDerWaalsContact CG-NZ 3.27Å; D249-K277 IonicContact OD1-NZ 3.22Å; D249-K277 PolarHBondContact OD1-NZ 3.03Å; D249-K277 IonicContact OD2-NZ 2.76Å; D249-K277 PolarHBondContact OD2-NZ 2.9Å; L252-K277 HydrophobicContact CD1-CB 3.79Å; G264-K277 CarbonylContact C-O 3.6Å; G264-K277 WeakPolarHBondContact CA-O 3.24Å; L265-K277 PolarHBondContact N-O 2.93Å; L265-K277 PolarHBondContact O-N 3.44Å; V275-K277 HydrophobicContact CG1-CG 4.22Å; V275-K277 HydrophobicContact CG2-CD 4.15Å; V275-K277 HydrophobicContact CG2-CG 3.66Å
278W95.7Very high96.1Very high48 Ų4830 Ų3018%0.18216%0.156CC..EExtended strand (participates in β ladder)trans-154.8166.8178.266.4100.7000112.6G263 M283 W285 P299G263-W278 CarbonylContact O-C 3.56Å; G263-W278 VanDerWaalsContact O-CA 3.32Å; G263-W278 WeakPolarHBondContact O-CA 2.77Å; W278-M283 HydrophobicContact CB-CB 4.03Å; W278-M283 HydrophobicContact CB-CE 4.39Å; W278-M283 HydrophobicContact CB-SD 3.89Å; W278-M283 HydrophobicContact CD2-CB 3.69Å; W278-M283 HydrophobicContact CD2-CE 4.28Å; W278-M283 HydrophobicContact CE3-CB 4.1Å; W278-M283 HydrophobicContact CE3-CE 3.59Å; W278-M283 HydrophobicContact CE3-SD 4.46Å; W278-M283 HydrophobicContact CG-CB 3.65Å; W278-M283 HydrophobicContact CG-SD 4.42Å; W278-M283 HydrophobicContact CZ3-CE 4.27Å; W278-W285 AromaticContact CH2-NE1 3.83Å; W278-W285 AromaticContact CZ3-CD1 3.92Å; W278-W285 AromaticContact CZ3-NE1 3.82Å; W278-P299 HydrophobicContact CZ2-CB 4.32Å; W278-P299 HydrophobicContact CZ2-CG 3.92Å
279T94.1Very high96Very high40 Ų4032.2 Ų32.225%0.24517%0.166CC..SBendtrans-123.2-4.4179.252.70000112.9L252 G263L252-T279 HydrophobicContact CB-CG2 3.92Å; L252-T279 HydrophobicContact CD1-CG2 4.49Å; G263-T279 PolarHBondContact N-OG1 2.79Å; G263-T279 PolarHBondContact O-N 2.89Å; G263-T279 PolarHBondContact O-OG1 3.22Å
280S88.3Confident95.8Very high24 Ų2436.2 Ų36.217%0.16819%0.187CC..SBendtrans-76.2179170.756.20000111.9S282S280-S282 PolarHBondContact OG-O 3.2Å
281T89.3Confident95.5Very high76 Ų7632.6 Ų32.647%0.46618%0.179SC..SBendtrans-64.6-47.9177.9-52.50000111.8A12A12-T281 PolarHBondContact O-N 3.16Å
282S91.4Very high95.6Very high2 Ų232.5 Ų32.51%0.01417%0.171CC..BIsolated β-bridgetrans-139.9157.2-178.4-52.50000109.7A12 S280 I297 D298A12-S282 PolarHBondContact N-O 3.01Å; A12-S282 PolarHBondContact O-N 3.4Å; A12-S282 VanDerWaalsContact O-N 3.11Å; A12-S282 VanDerWaalsContact O-O 3.08Å; S280-S282 PolarHBondContact OG-O 3.2Å; S282-I297 WeakPolarHBondContact CA-O 3.38Å; S282-I297 WeakPolarHBondContact CB-O 3.4Å; S282-D298 PolarHBondContact OG-OD1 2.85Å
283M94.7Very high95.6Very high0 Ų032.5 Ų32.50%017%0.171CC..  trans-150.3110168.3-177.3178.982.500107.5H8 T219 I266 A276 W278 W285 I297H8-M283 HydrophobicContact CB-CG 4.41Å; H8-M283 HydrophobicContact CB-SD 4.37Å; T219-M283 HydrophobicContact CG2-CG 4.38Å; T219-M283 HydrophobicContact CG2-SD 3.8Å; I266-M283 HydrophobicContact CG2-CE 4.42Å; A276-M283 HydrophobicContact CB-CE 3.97Å; W278-M283 HydrophobicContact CB-CB 4.03Å; W278-M283 HydrophobicContact CB-CE 4.39Å; W278-M283 HydrophobicContact CB-SD 3.89Å; W278-M283 HydrophobicContact CD2-CB 3.69Å; W278-M283 HydrophobicContact CD2-CE 4.28Å; W278-M283 HydrophobicContact CE3-CB 4.1Å; W278-M283 HydrophobicContact CE3-CE 3.59Å; W278-M283 HydrophobicContact CE3-SD 4.46Å; W278-M283 HydrophobicContact CG-CB 3.65Å; W278-M283 HydrophobicContact CG-SD 4.42Å; W278-M283 HydrophobicContact CZ3-CE 4.27Å; M283-W285 HydrophobicContact CE-CB 4.29Å; M283-W285 VanDerWaalsContact O-CD1 3.29Å; M283-W285 PolarHBondContact O-N 2.82Å; M283-I297 CarbonylContact C-O 3.57Å; M283-I297 PolarHBondContact N-O 3.2Å
284P95.7Very high95.6Very high0 Ų030.5 Ų30.50%016%0.158CC..  trans-63.5133.7171.1-19.532.9000110.2H8 G9 G10 I15 V23 M27 L166 G296 I297H8-P284 CarbonylContact C-O 3.52Å; H8-P284 VanDerWaalsContact CA-O 3.28Å; H8-P284 WeakPolarHBondContact CA-O 3.28Å; G9-P284 PolarHBondContact N-O 3.42Å; G10-P284 VanDerWaalsContact O-CD 3.23Å; G10-P284 WeakPolarHBondContact O-CD 3.49Å; I15-P284 HydrophobicContact CD1-CG 3.5Å; V23-P284 HydrophobicContact CG1-CB 3.5Å; V23-P284 HydrophobicContact CG1-CG 3.39Å; M27-P284 HydrophobicContact CG-CB 3.71Å; M27-P284 HydrophobicContact SD-CB 3.85Å; L166-P284 HydrophobicContact CD2-CG 3.53Å; P284-G296 WeakPolarHBondContact CA-O 3.29Å; P284-I297 HydrophobicContact CB-CG1 3.99Å; P284-I297 HydrophobicContact CG-CG1 4.09Å
285W97.3Very high95.5Very high14 Ų1429 Ų295%0.05315%0.153CC..EExtended strand (participates in β ladder)trans-149.7157.5177.466.9-87.8000110.9V7 W274 A276 W278 M283 A287 H294 F295 G296 T302V7-W285 WeakPolarHBondContact O-CA 3.41Å; V7-W285 WeakPolarHBondContact O-CB 3.34Å; W274-W285 HydrophobicContact CH2-CE3 4.49Å; W274-W285 AromaticContact CH2-CH2 3.82Å; W274-W285 HydrophobicContact CH2-CH2 3.82Å; W274-W285 AromaticContact CH2-CZ3 3.46Å; W274-W285 HydrophobicContact CH2-CZ3 3.46Å; W274-W285 VanDerWaalsContact CH2-CZ3 3.46Å; W274-W285 HydrophobicContact CZ3-CE3 4.14Å; W274-W285 HydrophobicContact CZ3-CH2 4.1Å; W274-W285 AromaticContact CZ3-CZ3 3.51Å; W274-W285 HydrophobicContact CZ3-CZ3 3.51Å; A276-W285 HydrophobicContact CB-CB 4.08Å; A276-W285 HydrophobicContact CB-CD2 3.73Å; A276-W285 HydrophobicContact CB-CE3 3.95Å; A276-W285 HydrophobicContact CB-CG 3.77Å; W278-W285 AromaticContact CH2-NE1 3.83Å; W278-W285 AromaticContact CZ3-CD1 3.92Å; W278-W285 AromaticContact CZ3-NE1 3.82Å; M283-W285 HydrophobicContact CE-CB 4.29Å; M283-W285 VanDerWaalsContact O-CD1 3.29Å; M283-W285 PolarHBondContact O-N 2.82Å; W285-A287 HydrophobicContact CZ3-CB 4.15Å; W285-H294 HydrophobicContact CH2-CB 3.99Å; W285-H294 HydrophobicContact CZ3-CB 3.87Å; W285-F295 VanDerWaalsContact O-CA 3.29Å; W285-F295 WeakPolarHBondContact O-CA 3.45Å; W285-F295 WeakPolarHBondContact O-CB 3.45Å; W285-G296 PolarHBondContact N-O 3.17Å; W285-G296 PolarHBondContact O-N 2.89Å; W285-G296 VanDerWaalsContact O-N 3.09Å; W285-T302 HydrophobicContact CH2-CG2 3.81Å; W285-T302 HydrophobicContact CZ2-CG2 3.96Å
286A98.1Very high95.3Very high0 Ų028.6 Ų28.60%015%0.151CC..EExtended strand (participates in β ladder)trans-146.3150.1167.800000110.9V6 V7 M27 A31 L293 H294 F295V6-A286 CarbonylContact C-O 3.58Å; V6-A286 WeakPolarHBondContact CA-O 3.47Å; V7-A286 HydrophobicContact CG2-CB 3.83Å; V7-A286 PolarHBondContact N-O 2.9Å; V7-A286 PolarHBondContact O-N 3.17Å; M27-A286 HydrophobicContact CB-CB 4.1Å; A31-A286 HydrophobicContact CB-CB 3.76Å; A286-L293 HydrophobicContact CB-CD1 4.37Å; A286-H294 CarbonylContact C-O 3.58Å; A286-H294 WeakPolarHBondContact CA-O 3.38Å; A286-F295 HydrophobicContact CB-CB 3.81Å
287A98.5Very high95.1Very high0 Ų028.1 Ų28.10%015%0.147CC..EExtended strand (participates in β ladder)trans-133.8132.7175.100000109.6V5 V6 W274 W285 L293 H294V5-A287 CarbonylContact O-C 3.5Å; V5-A287 WeakPolarHBondContact O-CA 3.38Å; V6-A287 HydrophobicContact CB-CB 4.44Å; V6-A287 HydrophobicContact CG1-CB 4.15Å; V6-A287 HydrophobicContact CG2-CB 3.99Å; W274-A287 HydrophobicContact CD2-CB 4.05Å; W274-A287 HydrophobicContact CE3-CB 3.85Å; W274-A287 HydrophobicContact CH2-CB 3.58Å; W274-A287 HydrophobicContact CZ2-CB 3.74Å; W274-A287 HydrophobicContact CZ3-CB 3.63Å; W285-A287 HydrophobicContact CZ3-CB 4.15Å; A287-L293 WeakPolarHBondContact O-CA 3.37Å; A287-H294 HydrophobicContact CB-CB 4.38Å; A287-H294 PolarHBondContact N-O 3.48Å; A287-H294 PolarHBondContact O-N 2.91Å
288A98.3Very high94.9Very high0 Ų027 Ų270%014%0.144CC..EExtended strand (participates in β ladder)trans-119.2118178.100000109.6I4 V5 A31 Y35 K292 L293 L307I4-A288 WeakPolarHBondContact CA-O 3.42Å; V5-A288 HydrophobicContact CG1-CB 3.88Å; V5-A288 PolarHBondContact N-O 2.62Å; V5-A288 VanDerWaalsContact N-O 3.16Å; V5-A288 PolarHBondContact O-N 3.49Å; A31-A288 HydrophobicContact CB-CB 4.37Å; Y35-A288 HydrophobicContact CD1-CB 4.31Å; Y35-A288 HydrophobicContact CD2-CB 3.85Å; Y35-A288 VanDerWaalsContact CD2-O 3.28Å; Y35-A288 WeakPolarHBondContact CD2-O 3.14Å; Y35-A288 WeakPolarHBondContact CE2-O 3.33Å; Y35-A288 HydrophobicContact CG-CB 3.68Å; A288-K292 WeakPolarHBondContact CA-O 3.43Å; A288-L293 HydrophobicContact CB-CD1 4.03Å; A288-L307 HydrophobicContact CB-CD1 4.14Å; A288-L307 HydrophobicContact CB-CD2 4.13Å
289K97Very high94.4Very high47 Ų4728 Ų2820%0.20416%0.157CC..EExtended strand (participates in β ladder)trans-151.2141.2-179.1-169.9-174.1-175.9167.90109.1I4 G272 G291 K292I4-K289 HydrophobicContact CB-CB 4.24Å; I4-K289 HydrophobicContact CB-CD 4.48Å; I4-K289 HydrophobicContact CB-CG 4.15Å; I4-K289 HydrophobicContact CD1-CB 4.15Å; I4-K289 HydrophobicContact CD1-CD 4.14Å; I4-K289 HydrophobicContact CD1-CG 4.43Å; I4-K289 HydrophobicContact CG1-CB 4.15Å; G272-K289 PolarHBondContact O-NZ 2.97Å; K289-G291 VanDerWaalsContact C-N 3.26Å; K289-G291 PolarHBondContact O-N 3.41Å; K289-G291 VanDerWaalsContact O-N 3.15Å; K289-K292 PolarHBondContact N-O 2.89Å; K289-K292 PolarHBondContact O-N 3.22Å
290D94.1Very high94Very high90 Ų9034.2 Ų34.248%0.48119%0.189SC..THydrogen-bonded Turntrans50.339.6174.9-58.2-38.2000114.8N2 Y35 K292N2-D290 WeakPolarHBondContact CB-OD1 3.42Å; N2-D290 PolarHBondContact ND2-OD1 3.05Å; Y35-D290 PolarHBondContact OH-N 3.07Å; Y35-D290 VanDerWaalsContact OH-N 3.09Å; D290-K292 PolarHBondContact O-N 3.31Å
291G91.1Very high94Very high27 Ų2736.8 Ų36.828%0.27820%0.2SC..THydrogen-bonded Turntrans72.53.9-17900000114.9Y35 K289 L307Y35-G291 PolarHBondContact OH-N 3.35Å; K289-G291 VanDerWaalsContact C-N 3.26Å; K289-G291 PolarHBondContact O-N 3.41Å; K289-G291 VanDerWaalsContact O-N 3.15Å; G291-L307 PolarHBondContact O-N 3.26Å
292K96.9Very high94.2Very high90 Ų9036.6 Ų36.639%0.39120%0.2SC..EExtended strand (participates in β ladder)trans-105.3147.1175-59.9-60.4-174.9179.10111.1A288 K289 D290 D306A288-K292 WeakPolarHBondContact CA-O 3.43Å; K289-K292 PolarHBondContact N-O 2.89Å; K289-K292 PolarHBondContact O-N 3.22Å; D290-K292 PolarHBondContact O-N 3.31Å; K292-D306 IonicContact NZ-OD1 3.2Å; K292-D306 PolarHBondContact NZ-OD1 2.8Å
293L97.6Very high94.4Very high1 Ų139.2 Ų39.21%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-115.8123.2172.6-173.271.1000109.1V28 A31 A286 A287 A288 F295 I304 T305 L307V28-L293 HydrophobicContact CB-CD2 4.08Å; V28-L293 HydrophobicContact CG1-CD2 3.68Å; V28-L293 HydrophobicContact CG2-CD2 3.82Å; A31-L293 HydrophobicContact CB-CD1 3.65Å; A286-L293 HydrophobicContact CB-CD1 4.37Å; A287-L293 WeakPolarHBondContact O-CA 3.37Å; A288-L293 HydrophobicContact CB-CD1 4.03Å; L293-F295 HydrophobicContact CD2-CD1 4.07Å; L293-F295 HydrophobicContact CD2-CE1 4.4Å; L293-F295 HydrophobicContact CG-CD1 4.06Å; L293-I304 CarbonylContact O-C 3.54Å; L293-I304 WeakPolarHBondContact O-CA 3.23Å; L293-T305 PolarHBondContact N-O 3.1Å; L293-T305 PolarHBondContact O-N 2.92Å; L293-L307 HydrophobicContact CB-CD2 4.42Å; L293-L307 HydrophobicContact CB-CG 4.2Å; L293-L307 HydrophobicContact CD1-CD2 4.31Å
294H97.6Very high94.4Very high45 Ų4544 Ų4421%0.20824%0.24CC..EExtended strand (participates in β ladder)trans-106.1136.2171.1-60.7-111.7000107.9W274 W285 A286 A287 T303W274-H294 HydrophobicContact CH2-CB 4.16Å; W274-H294 HydrophobicContact CZ2-CB 4.38Å; W285-H294 HydrophobicContact CH2-CB 3.99Å; W285-H294 HydrophobicContact CZ3-CB 3.87Å; A286-H294 CarbonylContact C-O 3.58Å; A286-H294 WeakPolarHBondContact CA-O 3.38Å; A287-H294 HydrophobicContact CB-CB 4.38Å; A287-H294 PolarHBondContact N-O 3.48Å; A287-H294 PolarHBondContact O-N 2.91Å; H294-T303 WeakPolarHBondContact CA-O 3.49Å
295F96.6Very high94.5Very high23 Ų2346.6 Ų46.610%0.10126%0.256CS..EExtended strand (participates in β ladder)trans-155.9156.5176.560.6-85000112V28 W285 A286 L293 T303 T305V28-F295 HydrophobicContact CG2-CD1 4.33Å; V28-F295 HydrophobicContact CG2-CE1 4.46Å; V28-F295 HydrophobicContact CG2-CG 4.37Å; W285-F295 VanDerWaalsContact O-CA 3.29Å; W285-F295 WeakPolarHBondContact O-CA 3.45Å; W285-F295 WeakPolarHBondContact O-CB 3.45Å; A286-F295 HydrophobicContact CB-CB 3.81Å; L293-F295 HydrophobicContact CD2-CD1 4.07Å; L293-F295 HydrophobicContact CD2-CE1 4.4Å; L293-F295 HydrophobicContact CG-CD1 4.06Å; F295-T303 HydrophobicContact CE1-CG2 3.78Å; F295-T303 HydrophobicContact CE2-CG2 4.05Å; F295-T303 HydrophobicContact CZ-CG2 3.41Å; F295-T303 VanDerWaalsContact CZ-CG2 3.41Å; F295-T303 PolarHBondContact N-O 3.25Å; F295-T303 PolarHBondContact O-N 2.93Å; F295-T305 HydrophobicContact CE1-CG2 4Å; F295-T305 HydrophobicContact CZ-CG2 4.4Å
296G94.7Very high94.3Very high3 Ų351.1 Ų51.13%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-167.2171.2179.500000112.5P284 W285 D301P284-G296 WeakPolarHBondContact CA-O 3.29Å; W285-G296 PolarHBondContact N-O 3.17Å; W285-G296 PolarHBondContact O-N 2.89Å; W285-G296 VanDerWaalsContact O-N 3.09Å; G296-D301 VanDerWaalsContact CA-O 3.3Å; G296-D301 WeakPolarHBondContact CA-O 3.37Å
297I93.2Very high93.7Very high1 Ų152.2 Ų52.21%0.00529%0.287CS..SBendtrans-126.7-46173-73.1-179.5000110.7I15 K20 V23 H24 S282 M283 P284I15-I297 HydrophobicContact CD1-CD1 4.31Å; I15-I297 HydrophobicContact CD1-CG2 3.9Å; K20-I297 HydrophobicContact CB-CD1 4.1Å; K20-I297 HydrophobicContact CG-CD1 4.05Å; V23-I297 HydrophobicContact CB-CD1 4.2Å; V23-I297 HydrophobicContact CG1-CD1 3.82Å; V23-I297 HydrophobicContact CG1-CG1 4.4Å; H24-I297 WeakPolarHBondContact CD2-CD1 3.38Å; H24-I297 VanDerWaalsContact CD2-CG1 3.46Å; H24-I297 WeakPolarHBondContact CD2-CG1 3.23Å; H24-I297 WeakPolarHBondContact NE2-CD1 3.34Å; H24-I297 VanDerWaalsContact NE2-CG1 3.31Å; H24-I297 WeakPolarHBondContact NE2-CG1 3.47Å; S282-I297 WeakPolarHBondContact CA-O 3.38Å; S282-I297 WeakPolarHBondContact CB-O 3.4Å; M283-I297 CarbonylContact C-O 3.57Å; M283-I297 PolarHBondContact N-O 3.2Å; P284-I297 HydrophobicContact CB-CG1 3.99Å; P284-I297 HydrophobicContact CG-CG1 4.09Å
298D91.6Very high92.9Very high35 Ų3559.3 Ų59.319%0.18733%0.333CS..SBendtrans-102.6158.3-173.8-63.8-43.1000111K20 S282 D300 D301K20-D298 IonicContact NZ-OD2 2.62Å; K20-D298 PolarHBondContact NZ-OD2 3.09Å; S282-D298 PolarHBondContact OG-OD1 2.85Å; D298-D300 PolarHBondContact O-N 3.43Å; D298-D301 HydrophobicContact CB-CB 4.3Å; D298-D301 PolarHBondContact O-N 3.14Å
299P86Confident92.6Very high71 Ų7162.3 Ų62.346%0.46135%0.35SS..THydrogen-bonded Turntrans-56.8141.1176.2-24.734.6000110.6W278 D301W278-P299 HydrophobicContact CZ2-CB 4.32Å; W278-P299 HydrophobicContact CZ2-CG 3.92Å; P299-D301 PolarHBondContact O-N 2.81Å
300D85.4Confident92.4Very high170 Ų17063.1 Ų63.191%0.90936%0.357SS*.THydrogen-bonded Turntrans61.18.7177.9-47.7-48.1000115.5D298D298-D300 PolarHBondContact O-N 3.43Å
301D87.8Confident92.3Very high77 Ų7761.6 Ų61.641%0.41235%0.35SS..  trans-108.380.7176.2-170.816.2000110.2G296 D298 P299G296-D301 VanDerWaalsContact CA-O 3.3Å; G296-D301 WeakPolarHBondContact CA-O 3.37Å; D298-D301 HydrophobicContact CB-CB 4.3Å; D298-D301 PolarHBondContact O-N 3.14Å; P299-D301 PolarHBondContact O-N 2.81Å
302T93.8Very high92.3Very high73 Ų7363.6 Ų63.645%0.44836%0.355SS..EExtended strand (participates in β ladder)trans-110.2121.7177-57.30000110.2W285 I304W285-T302 HydrophobicContact CH2-CG2 3.81Å; W285-T302 HydrophobicContact CZ2-CG2 3.96Å; T302-I304 HydrophobicContact CG2-CG1 4.41Å
303T95.4Very high92.1Very high56 Ų5662 Ų6234%0.34435%0.352SS..EExtended strand (participates in β ladder)trans-98.7142.3170.3-60.30000109.7H294 F295 T305H294-T303 WeakPolarHBondContact CA-O 3.49Å; F295-T303 HydrophobicContact CE1-CG2 3.78Å; F295-T303 HydrophobicContact CE2-CG2 4.05Å; F295-T303 HydrophobicContact CZ-CG2 3.41Å; F295-T303 VanDerWaalsContact CZ-CG2 3.41Å; F295-T303 PolarHBondContact N-O 3.25Å; F295-T303 PolarHBondContact O-N 2.93Å; T303-T305 HydrophobicContact CG2-CG2 4.14Å
304I96.2Very high91.7Very high100 Ų10066.1 Ų66.151%0.51338%0.376SS..EExtended strand (participates in β ladder)trans-123.8125.7175.9-51.2176.4000108.6L293 T302L293-I304 CarbonylContact O-C 3.54Å; L293-I304 WeakPolarHBondContact O-CA 3.23Å; T302-I304 HydrophobicContact CG2-CG1 4.41Å
305T96.1Very high91.3Very high56 Ų5667.6 Ų67.634%0.34439%0.387SS..EExtended strand (participates in β ladder)trans-130.516517758.60000110.6L293 F295 T303L293-T305 PolarHBondContact N-O 3.1Å; L293-T305 PolarHBondContact O-N 2.92Å; F295-T305 HydrophobicContact CE1-CG2 4Å; F295-T305 HydrophobicContact CZ-CG2 4.4Å; T303-T305 HydrophobicContact CG2-CG2 4.14Å
306D94.3Very high90.9Very high108 Ų10871 Ų7158%0.57841%0.41SS*.EExtended strand (participates in β ladder)trans-64.5147.8159.2-67.1-43.5000109.6K292K292-D306 IonicContact NZ-OD1 3.2Å; K292-D306 PolarHBondContact NZ-OD1 2.8Å
307L86.1Confident90.5Very high24 Ų2476.7 Ų76.713%0.12644%0.441CS..  trans-63133.7167.1-90.3152.1000109.1T32 Y35 A288 G291 L293T32-L307 HydrophobicContact CG2-CD2 4.46Å; Y35-L307 HydrophobicContact CD1-CD1 3.2Å; Y35-L307 HydrophobicContact CD1-CD2 4.29Å; Y35-L307 HydrophobicContact CD1-CG 4.37Å; Y35-L307 HydrophobicContact CE1-CD1 3.24Å; Y35-L307 HydrophobicContact CG-CD1 4.07Å; A288-L307 HydrophobicContact CB-CD1 4.14Å; A288-L307 HydrophobicContact CB-CD2 4.13Å; G291-L307 PolarHBondContact O-N 3.26Å; L293-L307 HydrophobicContact CB-CD2 4.42Å; L293-L307 HydrophobicContact CB-CG 4.2Å; L293-L307 HydrophobicContact CD1-CD2 4.31Å
308P80.5Confident90.3Very high149 Ų14983.5 Ų83.597%0.96848%0.481SS*.  trans-66.20178.828.4-34.1000113.3T32T32-P308 HydrophobicContact CG2-CG 4.16Å

Retrieved 308 of 308 residues in 202.3 ms (Link to these results)