A0A3B3VK08_9TELE Loading...

Zgc:101765

AlphaFold DB , UniProt , Accession A0A3B3VK08, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 286 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
1M38.2Very low82.1Confident243 Ų24373.4 Ų73.4100%1.19747%0.473SS*.  0118.10-66-178.4-14700107.6S3M1-S3 PolarHBondContact O-N 2.74Å
2S48Very low83.2Confident70 Ų7069.8 Ų69.849%0.4945%0.447SS..  trans-62.3127.8172.5171.90000108.4H4S2-H4 PolarHBondContact O-N 3.21Å
3S65.8Low84.2Confident101 Ų10172.9 Ų72.971%0.70645%0.452SS*.SBendtrans-67.64.8-177450000114.4M1M1-S3 PolarHBondContact O-N 2.74Å
4H91.3Very high85.2Confident62 Ų6267.7 Ų67.729%0.28742%0.42SS..  trans-132.566.4-170-54.3-52.7000111.5S2 L16 F257S2-H4 PolarHBondContact O-N 3.21Å; H4-L16 HydrophobicContact CB-CD1 4.25Å; H4-L16 WeakPolarHBondContact O-CB 3.48Å; H4-L16 PolarHBondContact O-N 3.46Å; H4-F257 HydrophobicContact CB-CD1 3.91Å; H4-F257 HydrophobicContact CB-CE1 3.6Å; H4-F257 HydrophobicContact CB-CE2 4.4Å; H4-F257 HydrophobicContact CB-CG 4.44Å; H4-F257 HydrophobicContact CB-CZ 3.87Å; H4-F257 AromaticContact CD2-CD1 3.73Å; H4-F257 AromaticContact CD2-CD2 3.95Å; H4-F257 AromaticContact CD2-CG 3.55Å; H4-F257 AromaticContact CG-CD1 3.48Å; H4-F257 VanDerWaalsContact CG-CD1 3.48Å; H4-F257 AromaticContact CG-CE1 3.74Å; H4-F257 AromaticContact CG-CG 3.82Å; H4-F257 AromaticContact ND1-CD1 3.74Å; H4-F257 AromaticContact NE2-CG 3.9Å
5S95.4Very high86.1Confident44 Ų4464.3 Ų64.331%0.30840%0.399SS..EExtended strand (participates in β ladder)trans-127.4164.4175.363.20000112.2Q13 M14S5-Q13 PolarHBondContact OG-OE1 3.05Å; S5-M14 CarbonylContact C-O 3.53Å; S5-M14 WeakPolarHBondContact CA-O 3.39Å; S5-M14 VanDerWaalsContact CB-O 3.32Å; S5-M14 WeakPolarHBondContact CB-O 3.48Å
6V96.4Very high86.9Confident25 Ų2561.4 Ų61.415%0.15238%0.38CS..EExtended strand (participates in β ladder)trans-116.4140.8169.7-61.80000109.8L8 M14 L16 P239V6-L8 HydrophobicContact CG2-CD2 4.49Å; V6-M14 HydrophobicContact CG2-CB 4.11Å; V6-M14 HydrophobicContact CG2-CE 4.03Å; V6-M14 PolarHBondContact N-O 2.76Å; V6-M14 PolarHBondContact O-N 3.13Å; V6-L16 HydrophobicContact CG1-CD2 3.52Å; V6-L16 HydrophobicContact CG1-CG 4.06Å; V6-P239 HydrophobicContact CG1-CG 4.32Å; V6-P239 HydrophobicContact CG2-CG 3.71Å
7A96.6Very high87.5Confident71 Ų7158.5 Ų58.559%0.58736%0.361SS*.EExtended strand (participates in β ladder)trans-77.5127172.700000109.5
8L97.6Very high88.1Confident8 Ų855.3 Ų55.34%0.04234%0.342CS..  trans-84.4153169.8-58.6-173.4000109.9V6 A10 G11 L12 M14 F76 A148 A171 V172 C196V6-L8 HydrophobicContact CG2-CD2 4.49Å; L8-A10 PolarHBondContact O-N 3.46Å; L8-A10 VanDerWaalsContact O-N 3.09Å; L8-G11 PolarHBondContact O-N 2.95Å; L8-L12 HydrophobicContact CD1-CB 4.27Å; L8-L12 PolarHBondContact N-O 3.25Å; L8-M14 HydrophobicContact CD1-CB 4.16Å; L8-M14 HydrophobicContact CD1-SD 4.44Å; L8-M14 HydrophobicContact CD2-CB 4.16Å; L8-M14 HydrophobicContact CD2-CE 4.17Å; L8-M14 HydrophobicContact CD2-SD 4.42Å; L8-M14 HydrophobicContact CG-CB 4.1Å; L8-F76 HydrophobicContact CD1-CE2 4.42Å; L8-F76 HydrophobicContact CD1-CZ 4.06Å; L8-A148 HydrophobicContact CD1-CB 4.28Å; L8-A171 HydrophobicContact CB-CB 4.32Å; L8-A171 HydrophobicContact CD1-CB 4.26Å; L8-V172 HydrophobicContact CD1-CG2 4.16Å; L8-V172 HydrophobicContact CD2-CG2 3.74Å; L8-C196 HydrophobicContact CD2-CB 3.45Å; L8-C196 VanDerWaalsContact CD2-CB 3.45Å
9N93.7Very high88.7Confident74 Ų7452.4 Ų52.440%0.39632%0.324SS..THydrogen-bonded Turntrans-60.8-16.8172.162.810.8000113.2G11 P170 A171 G194N9-G11 PolarHBondContact O-N 2.88Å; N9-P170 PolarHBondContact ND2-O 2.8Å; N9-A171 WeakPolarHBondContact OD1-CA 3.33Å; N9-A171 WeakPolarHBondContact OD1-CB 3.34Å; N9-G194 WeakPolarHBondContact CB-O 3.45Å; N9-G194 PolarHBondContact ND2-O 3.42Å
10A88.1Confident89.2Confident42 Ų4250.1 Ų50.135%0.34731%0.31SS..THydrogen-bonded Turntrans-80.24.3170.900000113.9L8 L12 A148 A171L8-A10 PolarHBondContact O-N 3.46Å; L8-A10 VanDerWaalsContact O-N 3.09Å; A10-L12 VanDerWaalsContact C-N 3.29Å; A10-L12 PolarHBondContact O-N 3.15Å; A10-A148 HydrophobicContact CB-CB 3.9Å; A10-A171 HydrophobicContact CB-CB 4.25Å
11G91.8Very high89.6Confident67 Ų6747.7 Ų47.769%0.69130%0.296SS*.SBendtrans78.82.7178.400000115.5L8 N9L8-G11 PolarHBondContact O-N 2.95Å; N9-G11 PolarHBondContact O-N 2.88Å
12L95.1Very high92.3Very high30 Ų3042 Ų4216%0.15726%0.262CS..  trans-85.2154176-60.8173.5000111.8L8 A10 F76 R147 A148L8-L12 HydrophobicContact CD1-CB 4.27Å; L8-L12 PolarHBondContact N-O 3.25Å; A10-L12 VanDerWaalsContact C-N 3.29Å; A10-L12 PolarHBondContact O-N 3.15Å; L12-F76 HydrophobicContact CB-CE2 4.37Å; L12-F76 HydrophobicContact CD1-CE2 4.3Å; L12-R147 HydrophobicContact CD1-CB 3.64Å; L12-R147 HydrophobicContact CD2-CB 4.43Å; L12-A148 HydrophobicContact CD1-CB 3.73Å
13Q96.9Very high94.5Very high111 Ų11145 Ų4552%0.51927%0.266SS..EExtended strand (participates in β ladder)trans-100.1113.8169.7-68.1-64.1-31.300109.4S5S5-Q13 PolarHBondContact OG-OE1 3.05Å
14M98.2Very high95.9Very high0 Ų040.4 Ų40.40%023%0.233CC..EExtended strand (participates in β ladder)trans-100.4126.7178.2-171.4174.671.800110.2S5 V6 L8 F76 L108 V172 P239S5-M14 CarbonylContact C-O 3.53Å; S5-M14 WeakPolarHBondContact CA-O 3.39Å; S5-M14 VanDerWaalsContact CB-O 3.32Å; S5-M14 WeakPolarHBondContact CB-O 3.48Å; V6-M14 HydrophobicContact CG2-CB 4.11Å; V6-M14 HydrophobicContact CG2-CE 4.03Å; V6-M14 PolarHBondContact N-O 2.76Å; V6-M14 PolarHBondContact O-N 3.13Å; L8-M14 HydrophobicContact CD1-CB 4.16Å; L8-M14 HydrophobicContact CD1-SD 4.44Å; L8-M14 HydrophobicContact CD2-CB 4.16Å; L8-M14 HydrophobicContact CD2-CE 4.17Å; L8-M14 HydrophobicContact CD2-SD 4.42Å; L8-M14 HydrophobicContact CG-CB 4.1Å; M14-F76 HydrophobicContact CB-CD2 4.43Å; M14-F76 HydrophobicContact CB-CE1 4.47Å; M14-F76 HydrophobicContact CB-CE2 4.01Å; M14-F76 HydrophobicContact CB-CZ 4.04Å; M14-F76 HydrophobicContact CG-CD1 4Å; M14-F76 HydrophobicContact CG-CD2 4.38Å; M14-F76 HydrophobicContact CG-CE1 3.71Å; M14-F76 HydrophobicContact CG-CE2 4.1Å; M14-F76 HydrophobicContact CG-CG 4.33Å; M14-F76 HydrophobicContact CG-CZ 3.76Å; M14-F76 HydrophobicContact SD-CE1 3.8Å; M14-F76 HydrophobicContact SD-CZ 3.97Å; M14-L108 HydrophobicContact SD-CD2 4Å; M14-V172 HydrophobicContact CE-CG2 4.15Å; M14-V172 HydrophobicContact SD-CG2 4.12Å; M14-P239 HydrophobicContact CE-CB 3.88Å; M14-P239 HydrophobicContact CE-CG 3.5Å
15P98.3Very high95.8Very high17 Ų1741.9 Ų41.911%0.1125%0.25CC..EExtended strand (participates in β ladder)trans-58.9141.5176.5-26.636.7000112.8L17 R43 F76P15-L17 PolarHBondContact O-N 2.89Å; P15-R43 HydrophobicContact CG-CB 4.31Å; P15-F76 HydrophobicContact CG-CB 4.32Å
16L98.3Very high95.6Very high17 Ų1741.2 Ų41.29%0.08925%0.25CC..SBendtrans-67.5-19.6176-81.6169.2000113.1H4 V6 V234 P239 V240 F257H4-L16 HydrophobicContact CB-CD1 4.25Å; H4-L16 WeakPolarHBondContact O-CB 3.48Å; H4-L16 PolarHBondContact O-N 3.46Å; V6-L16 HydrophobicContact CG1-CD2 3.52Å; V6-L16 HydrophobicContact CG1-CG 4.06Å; L16-V234 HydrophobicContact CB-CB 4.47Å; L16-V234 HydrophobicContact CB-CG1 4.25Å; L16-P239 HydrophobicContact CD2-CB 4.45Å; L16-P239 HydrophobicContact CD2-CG 4.05Å; L16-P239 CarbonylContact O-C 3.58Å; L16-P239 WeakPolarHBondContact O-CA 3.49Å; L16-V240 PolarHBondContact O-N 3.24Å; L16-F257 HydrophobicContact CB-CE1 4.18Å; L16-F257 HydrophobicContact CB-CZ 4.11Å; L16-F257 HydrophobicContact CD1-CE1 4.35Å
17L98.6Very high95.5Very high12 Ų1243.7 Ų43.76%0.06327%0.266CS..BIsolated β-bridgetrans-128123.5-179.6178.265.4000109.7P15 Y42 V240 P242 A254 V256 F257P15-L17 PolarHBondContact O-N 2.89Å; L17-Y42 HydrophobicContact CD1-CE1 3.86Å; L17-Y42 HydrophobicContact CD2-CD1 4.47Å; L17-Y42 HydrophobicContact CD2-CE1 3.82Å; L17-Y42 HydrophobicContact CD2-CE2 4.09Å; L17-Y42 HydrophobicContact CG-CD1 4.08Å; L17-Y42 HydrophobicContact CG-CE1 3.46Å; L17-Y42 VanDerWaalsContact CG-CE1 3.46Å; L17-V240 HydrophobicContact CD1-CG2 3.7Å; L17-P242 HydrophobicContact CD1-CG 3.67Å; L17-A254 HydrophobicContact CD2-CB 4.43Å; L17-V256 HydrophobicContact CD2-CG2 4.2Å; L17-F257 HydrophobicContact CB-CE2 3.93Å; L17-F257 HydrophobicContact CB-CZ 3.84Å; L17-F257 HydrophobicContact CD2-CE2 3.95Å
18G98.4Very high95.6Very high1 Ų143.8 Ų43.81%0.0127%0.267CS..  trans-128.9160.817300000112.7S44 V240 L241 P242G18-S44 CarbonylContact C-O 3.5Å; G18-S44 WeakPolarHBondContact CA-O 3.17Å; G18-V240 PolarHBondContact N-O 3.2Å; G18-L241 WeakPolarHBondContact O-CA 3.33Å; G18-P242 WeakPolarHBondContact O-CD 3.5Å
19L98.6Very high95.5Very high1 Ų146.1 Ų46.11%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-89.7118.3172.8-18072000109A33 V34 A37 Y42 S44 F45 D46 I250L19-A33 HydrophobicContact CD2-CB 4.12Å; L19-V34 HydrophobicContact CD2-CG2 4.39Å; L19-A37 HydrophobicContact CB-CB 4.31Å; L19-A37 HydrophobicContact CD2-CB 3.91Å; L19-Y42 HydrophobicContact CB-CD1 4.13Å; L19-Y42 HydrophobicContact CB-CE1 4.36Å; L19-S44 PolarHBondContact N-O 2.86Å; L19-F45 HydrophobicContact CB-CD1 3.98Å; L19-F45 HydrophobicContact CB-CE1 4.25Å; L19-F45 HydrophobicContact CD2-CD1 4.08Å; L19-F45 HydrophobicContact CD2-CE1 4.11Å; L19-D46 PolarHBondContact O-N 3.32Å; L19-I250 HydrophobicContact CD1-CD1 4.42Å; L19-I250 HydrophobicContact CD1-CG1 4.28Å
20G98.3Very high95.7Very high5 Ų542.6 Ų42.65%0.05226%0.261CS..EExtended strand (participates in β ladder)trans-78.1135.2168.200000111.1P242 K243G20-P242 PolarHBondContact N-O 3.37Å; G20-K243 WeakPolarHBondContact O-CB 3.36Å; G20-K243 WeakPolarHBondContact O-CG 3.44Å
21T97.8Very high96.2Very high0 Ų044.6 Ų44.60%026%0.26CS..  trans-100.91.5-178.268.20000114.3K23 L24 D46 S47 N53 L57T21-K23 PolarHBondContact O-N 2.88Å; T21-L24 HydrophobicContact CG2-CD1 4.26Å; T21-L24 WeakPolarHBondContact O-CB 3.36Å; T21-L24 PolarHBondContact O-N 3.06Å; T21-D46 PolarHBondContact N-O 3.1Å; T21-D46 PolarHBondContact OG1-O 2.86Å; T21-D46 VanDerWaalsContact OG1-O 3.06Å; T21-S47 WeakPolarHBondContact OG1-CA 3.36Å; T21-S47 PolarHBondContact OG1-OG 3.37Å; T21-N53 PolarHBondContact O-ND2 2.73Å; T21-L57 HydrophobicContact CG2-CD1 4.49Å; T21-L57 HydrophobicContact CG2-CD2 4.28Å
22Y95.8Very high96.5Very high123 Ų12345.9 Ų45.948%0.48225%0.248SC..THydrogen-bonded Turntrans-55.7125179.8-179.9-126.9000112L24 Y51 K243Y22-L24 VanDerWaalsContact C-N 3.29Å; Y22-L24 PolarHBondContact O-N 2.85Å; Y22-Y51 AromaticContact CD2-CD1 3.4Å; Y22-Y51 HydrophobicContact CD2-CD1 3.4Å; Y22-Y51 AromaticContact CD2-CE1 3.41Å; Y22-Y51 HydrophobicContact CD2-CE1 3.41Å; Y22-Y51 VanDerWaalsContact CD2-CE1 3.41Å; Y22-Y51 HydrophobicContact CD2-CG 4.07Å; Y22-Y51 HydrophobicContact CE2-CD1 4.11Å; Y22-Y51 HydrophobicContact CE2-CE1 4.14Å; Y22-Y51 HydrophobicContact CG-CD1 4.29Å; Y22-Y51 AromaticContact CG-CE1 4Å; Y22-Y51 HydrophobicContact CG-CE1 4Å; Y22-K243 WeakPolarHBondContact O-CD 3.42Å; Y22-K243 WeakPolarHBondContact O-CE 3.27Å; Y22-K243 WeakPolarHBondContact O-CG 3.23Å
23K93.7Very high96.7Very high134 Ų13444.5 Ų44.558%0.58324%0.241SC*.THydrogen-bonded Turntrans61.827.4-176.1-54.5179.4170.5-175.20114.7T21 K243T21-K23 PolarHBondContact O-N 2.88Å; K23-K243 WeakPolarHBondContact O-CE 3.2Å; K23-K243 PolarHBondContact O-NZ 3.06Å
24L94.3Very high96.8Very high4 Ų439.2 Ų39.22%0.02122%0.216CC..  trans-80.1122154.6-66.6178.3000107.3T21 Y22 V30 A33 N53T21-L24 HydrophobicContact CG2-CD1 4.26Å; T21-L24 WeakPolarHBondContact O-CB 3.36Å; T21-L24 PolarHBondContact O-N 3.06Å; Y22-L24 VanDerWaalsContact C-N 3.29Å; Y22-L24 PolarHBondContact O-N 2.85Å; L24-V30 HydrophobicContact CB-CG2 3.75Å; L24-V30 HydrophobicContact CD1-CG2 4.46Å; L24-A33 HydrophobicContact CD1-CB 3.78Å; L24-A33 HydrophobicContact CD2-CB 4.2Å; L24-N53 PolarHBondContact O-ND2 3.46Å; L24-N53 VanDerWaalsContact O-ND2 3.11Å
25C89.3Confident96.8Very high94 Ų9441 Ų4164%0.63523%0.226SC*.  trans-107105.3-167.9-680000110.5
26G91.8Very high96.8Very high30 Ų3041 Ų4131%0.30923%0.227SC..Hα-helixtrans81172.2174.600000114.6A28 D29 V30G26-A28 PolarHBondContact O-N 3.17Å; G26-D29 PolarHBondContact O-N 2.96Å; G26-V30 WeakPolarHBondContact O-CG2 3.46Å; G26-V30 PolarHBondContact O-N 3.42Å
27P95.6Very high96.8Very high76 Ų7640.2 Ų40.249%0.49422%0.223SC..Hα-helixtrans-65.5-34.8-165.721-33000113.6Y31 D56P27-Y31 WeakPolarHBondContact O-CB 3.49Å; P27-Y31 PolarHBondContact O-N 2.74Å; P27-D56 WeakPolarHBondContact CB-OD1 3.46Å
28A96.9Very high96.8Very high74 Ų7439.8 Ų39.861%0.61222%0.221SC*.Hα-helixtrans-68-45.4-178.100000112.4G26 Y31 Q32G26-A28 PolarHBondContact O-N 3.17Å; A28-Y31 PolarHBondContact O-N 3.34Å; A28-Q32 WeakPolarHBondContact O-CB 3.4Å; A28-Q32 PolarHBondContact O-N 2.93Å
29D96.3Very high96.8Very high57 Ų5743.2 Ų43.231%0.30525%0.249SC..Hα-helixtrans-63.6-43.8177.9-84.914.9000111.3G26 A33G26-D29 PolarHBondContact O-N 2.96Å; D29-A33 VanDerWaalsContact O-CB 3.27Å; D29-A33 WeakPolarHBondContact O-CB 3.15Å; D29-A33 PolarHBondContact O-N 3.46Å
30V98.3Very high96.8Very high0 Ų044.2 Ų44.20%026%0.258CS..Hα-helixtrans-64.2-48.6178.1175.90000110.3L24 G26 Q32 A33 V34 N53 D56 L57 A60L24-V30 HydrophobicContact CB-CG2 3.75Å; L24-V30 HydrophobicContact CD1-CG2 4.46Å; G26-V30 WeakPolarHBondContact O-CG2 3.46Å; G26-V30 PolarHBondContact O-N 3.42Å; V30-Q32 PolarHBondContact O-N 3.01Å; V30-A33 PolarHBondContact O-N 3.45Å; V30-V34 HydrophobicContact CG1-CG2 4.18Å; V30-V34 WeakPolarHBondContact O-CB 3.02Å; V30-V34 WeakPolarHBondContact O-CG2 3.41Å; V30-V34 PolarHBondContact O-N 3.42Å; V30-N53 HydrophobicContact CG2-CB 4.22Å; V30-D56 HydrophobicContact CB-CB 3.96Å; V30-D56 HydrophobicContact CG1-CB 4.03Å; V30-D56 HydrophobicContact CG2-CB 3.88Å; V30-L57 HydrophobicContact CG1-CB 4.26Å; V30-A60 HydrophobicContact CG1-CB 4.32Å
31Y98.5Very high96.7Very high83 Ų8346.1 Ų46.133%0.32528%0.277SS..Hα-helixtrans-58.4-49.6178.4-172.7-81.6000111.8P27 A28 A33 V34 D35 A60 E63 L64P27-Y31 WeakPolarHBondContact O-CB 3.49Å; P27-Y31 PolarHBondContact O-N 2.74Å; A28-Y31 PolarHBondContact O-N 3.34Å; Y31-A33 PolarHBondContact O-N 3.26Å; Y31-V34 PolarHBondContact O-N 2.98Å; Y31-D35 VanDerWaalsContact O-CB 3.29Å; Y31-D35 WeakPolarHBondContact O-CB 3.43Å; Y31-D35 PolarHBondContact O-N 3.27Å; Y31-A60 HydrophobicContact CD2-CB 4.27Å; Y31-E63 HydrophobicContact CE2-CB 4.21Å; Y31-E63 WeakPolarHBondContact CE2-OE2 3.49Å; Y31-L64 HydrophobicContact CD2-CD1 4.08Å; Y31-L64 HydrophobicContact CD2-CG 4.3Å; Y31-L64 HydrophobicContact CE1-CD1 4.48Å; Y31-L64 HydrophobicContact CE1-CD2 3.89Å; Y31-L64 HydrophobicContact CE1-CG 4.5Å; Y31-L64 HydrophobicContact CE2-CD1 4.06Å; Y31-L64 HydrophobicContact CE2-CD2 3.88Å; Y31-L64 HydrophobicContact CE2-CG 3.79Å; Y31-L64 HydrophobicContact CG-CD1 4.31Å; Y31-L64 VanDerWaalsContact CZ-CD2 3.44Å; Y31-L64 WeakPolarHBondContact OH-CD2 3.36Å
32Q98.3Very high96.8Very high95 Ų9546.4 Ų46.444%0.44428%0.278SS..Hα-helixtrans-61.6-42.9-179.9-179.117852.500111.9A28 V30 A36 P247A28-Q32 WeakPolarHBondContact O-CB 3.4Å; A28-Q32 PolarHBondContact O-N 2.93Å; V30-Q32 PolarHBondContact O-N 3.01Å; Q32-A36 WeakPolarHBondContact O-CB 3.34Å; Q32-A36 PolarHBondContact O-N 3.42Å; Q32-A36 VanDerWaalsContact O-N 3.07Å; Q32-P247 HydrophobicContact CG-CG 3.73Å
33A98.6Very high96.9Very high0 Ų043.7 Ų43.70%027%0.267CS..Hα-helixtrans-67.5-43.1179.600000112L19 L24 D29 V30 Y31 A37 I250L19-A33 HydrophobicContact CD2-CB 4.12Å; L24-A33 HydrophobicContact CD1-CB 3.78Å; L24-A33 HydrophobicContact CD2-CB 4.2Å; D29-A33 VanDerWaalsContact O-CB 3.27Å; D29-A33 WeakPolarHBondContact O-CB 3.15Å; D29-A33 PolarHBondContact O-N 3.46Å; V30-A33 PolarHBondContact O-N 3.45Å; Y31-A33 PolarHBondContact O-N 3.26Å; A33-A37 VanDerWaalsContact O-CB 3.27Å; A33-A37 WeakPolarHBondContact O-CB 3.26Å; A33-A37 PolarHBondContact O-N 3.48Å; A33-I250 HydrophobicContact CB-CD1 3.89Å
34V98.7Very high97.1Very high0 Ų037.3 Ų37.30%024%0.239CC..Hα-helixtrans-66.4-43.1178.2173.90000110.8L19 V30 Y31 A36 A37 L38 F45 L57 A60 L61 L64L19-V34 HydrophobicContact CD2-CG2 4.39Å; V30-V34 HydrophobicContact CG1-CG2 4.18Å; V30-V34 WeakPolarHBondContact O-CB 3.02Å; V30-V34 WeakPolarHBondContact O-CG2 3.41Å; V30-V34 PolarHBondContact O-N 3.42Å; Y31-V34 PolarHBondContact O-N 2.98Å; V34-A36 PolarHBondContact O-N 2.99Å; V34-A37 PolarHBondContact O-N 3.27Å; V34-L38 HydrophobicContact CG1-CD1 3.89Å; V34-L38 HydrophobicContact CG1-CG 4.29Å; V34-L38 WeakPolarHBondContact O-CG 3.49Å; V34-L38 PolarHBondContact O-N 3.4Å; V34-F45 HydrophobicContact CB-CE1 4.34Å; V34-F45 HydrophobicContact CG1-CE1 3.91Å; V34-F45 HydrophobicContact CG1-CZ 4.21Å; V34-F45 HydrophobicContact CG2-CD1 4.27Å; V34-F45 HydrophobicContact CG2-CE1 4.2Å; V34-L57 HydrophobicContact CG2-CD1 3.64Å; V34-A60 HydrophobicContact CB-CB 4.36Å; V34-A60 HydrophobicContact CG1-CB 4.44Å; V34-A60 HydrophobicContact CG2-CB 4.42Å; V34-L61 HydrophobicContact CG1-CD2 4.06Å; V34-L64 HydrophobicContact CB-CD1 3.98Å; V34-L64 HydrophobicContact CG1-CD1 3.73Å
35D98.7Very high97.3Very high38 Ų3837.1 Ų37.120%0.20324%0.238CC..Hα-helixtrans-61.4-46.2178.2-169.434.1000111.4Y31 A37 L38 A39 L64 K67 H68Y31-D35 VanDerWaalsContact O-CB 3.29Å; Y31-D35 WeakPolarHBondContact O-CB 3.43Å; Y31-D35 PolarHBondContact O-N 3.27Å; D35-A37 VanDerWaalsContact C-N 3.34Å; D35-A37 PolarHBondContact O-N 3.15Å; D35-L38 PolarHBondContact O-N 3.43Å; D35-A39 WeakPolarHBondContact O-CB 3.38Å; D35-A39 PolarHBondContact O-N 3.48Å; D35-L64 HydrophobicContact CB-CD1 3.8Å; D35-L64 HydrophobicContact CB-CD2 3.82Å; D35-L64 HydrophobicContact CB-CG 4.47Å; D35-L64 WeakPolarHBondContact OD1-CD2 3.1Å; D35-K67 IonicContact OD1-NZ 3.84Å; D35-K67 PolarHBondContact OD1-NZ 2.72Å; D35-K67 IonicContact OD2-NZ 2.68Å; D35-K67 PolarHBondContact OD2-NZ 2.99Å; D35-H68 IonicContact OD1-CD2 2.72Å; D35-H68 IonicContact OD1-CE1 3.7Å; D35-H68 IonicContact OD1-NE2 3.17Å; D35-H68 PolarHBondContact OD1-NE2 3.35Å
36A98.7Very high97.8Very high17 Ų1732.9 Ų32.914%0.1421%0.209CC..Hα-helixtrans-63.3-39.3175.900000112.3Q32 V34 A40 P247 I250Q32-A36 WeakPolarHBondContact O-CB 3.34Å; Q32-A36 PolarHBondContact O-N 3.42Å; Q32-A36 VanDerWaalsContact O-N 3.07Å; V34-A36 PolarHBondContact O-N 2.99Å; A36-A40 VanDerWaalsContact O-CB 3.27Å; A36-A40 WeakPolarHBondContact O-CB 3.35Å; A36-A40 PolarHBondContact O-N 3.03Å; A36-P247 HydrophobicContact CB-CB 3.76Å; A36-P247 HydrophobicContact CB-CG 4.25Å; A36-I250 HydrophobicContact CB-CB 4.4Å; A36-I250 HydrophobicContact CB-CD1 3.96Å; A36-I250 HydrophobicContact CB-CG2 4.35Å
37A98.6Very high98.1Very high0 Ų031.5 Ų31.50%020%0.195CC..Hα-helixtrans-67-46178.100000111.7L19 A33 V34 D35 A39 A40 G41 Y42 F45 I250L19-A37 HydrophobicContact CB-CB 4.31Å; L19-A37 HydrophobicContact CD2-CB 3.91Å; A33-A37 VanDerWaalsContact O-CB 3.27Å; A33-A37 WeakPolarHBondContact O-CB 3.26Å; A33-A37 PolarHBondContact O-N 3.48Å; V34-A37 PolarHBondContact O-N 3.27Å; D35-A37 VanDerWaalsContact C-N 3.34Å; D35-A37 PolarHBondContact O-N 3.15Å; A37-A39 VanDerWaalsContact C-N 3.34Å; A37-A39 PolarHBondContact O-N 3.02Å; A37-A40 CarbonylContact O-C 3.56Å; A37-A40 PolarHBondContact O-N 2.92Å; A37-A40 VanDerWaalsContact O-N 3.16Å; A37-G41 PolarHBondContact O-N 2.73Å; A37-G41 VanDerWaalsContact O-N 3.15Å; A37-Y42 HydrophobicContact CB-CD1 4.44Å; A37-Y42 HydrophobicContact CB-CD2 3.95Å; A37-Y42 HydrophobicContact CB-CG 3.84Å; A37-Y42 VanDerWaalsContact O-CB 3.29Å; A37-Y42 WeakPolarHBondContact O-CB 3.38Å; A37-Y42 WeakPolarHBondContact O-CD2 3.46Å; A37-Y42 PolarHBondContact O-N 3.47Å; A37-F45 HydrophobicContact CB-CE1 3.99Å; A37-F45 HydrophobicContact CB-CZ 4.45Å; A37-I250 HydrophobicContact CB-CG2 3.87Å
38L98.6Very high98.3Very high3 Ų327.9 Ų27.92%0.01617%0.171CC..Hα-helixtrans-60.3-44.6176.6-70.8171.1000111.5V34 D35 A40 G41 R43 F45 L64 L65 H68 L70 V75V34-L38 HydrophobicContact CG1-CD1 3.89Å; V34-L38 HydrophobicContact CG1-CG 4.29Å; V34-L38 WeakPolarHBondContact O-CG 3.49Å; V34-L38 PolarHBondContact O-N 3.4Å; D35-L38 PolarHBondContact O-N 3.43Å; L38-A40 VanDerWaalsContact C-N 3.29Å; L38-A40 PolarHBondContact O-N 2.88Å; L38-G41 PolarHBondContact O-N 3.12Å; L38-R43 PolarHBondContact O-NH1 3.41Å; L38-F45 HydrophobicContact CD2-CE2 3.86Å; L38-F45 HydrophobicContact CD2-CZ 3.59Å; L38-F45 HydrophobicContact CG-CZ 3.84Å; L38-L64 HydrophobicContact CD1-CB 3.61Å; L38-L65 HydrophobicContact CD1-CD2 4.42Å; L38-L65 HydrophobicContact CD2-CD2 4.08Å; L38-H68 HydrophobicContact CB-CB 4.49Å; L38-L70 HydrophobicContact CD2-CD1 3.82Å; L38-V75 HydrophobicContact CD2-CG1 4.3Å
39A98.3Very high98.3Very high73 Ų7325.2 Ų25.260%0.60315%0.149SC*.Hα-helixtrans-60.3-37.617500000112.5D35 A37 G41D35-A39 WeakPolarHBondContact O-CB 3.38Å; D35-A39 PolarHBondContact O-N 3.48Å; A37-A39 VanDerWaalsContact C-N 3.34Å; A37-A39 PolarHBondContact O-N 3.02Å; A39-G41 PolarHBondContact O-N 2.97Å
40A97.6Very high98.4Very high23 Ų2325.3 Ų25.319%0.1915%0.152CC..THydrogen-bonded Turntrans-79.62.7176.200000113.8A36 A37 L38 Y42 L251 A254A36-A40 VanDerWaalsContact O-CB 3.27Å; A36-A40 WeakPolarHBondContact O-CB 3.35Å; A36-A40 PolarHBondContact O-N 3.03Å; A37-A40 CarbonylContact O-C 3.56Å; A37-A40 PolarHBondContact O-N 2.92Å; A37-A40 VanDerWaalsContact O-N 3.16Å; L38-A40 VanDerWaalsContact C-N 3.29Å; L38-A40 PolarHBondContact O-N 2.88Å; A40-Y42 HydrophobicContact CB-CD2 4.11Å; A40-Y42 HydrophobicContact CB-CE2 4.27Å; A40-L251 HydrophobicContact CB-CD1 3.78Å; A40-A254 HydrophobicContact CB-CB 4.01Å
41G97.1Very high98.4Very high44 Ų4427.2 Ų27.245%0.45416%0.159SC..THydrogen-bonded Turntrans89.47.9176.200000115.4A37 L38 A39A37-G41 PolarHBondContact O-N 2.73Å; A37-G41 VanDerWaalsContact O-N 3.15Å; L38-G41 PolarHBondContact O-N 3.12Å; A39-G41 PolarHBondContact O-N 2.97Å
42Y98.4Very high98.3Very high6 Ų634.1 Ų34.12%0.02419%0.185CC..  trans-61.8139.5172.7-75.7-113.2000110.4L17 L19 A37 A40 I250 N253 A254L17-Y42 HydrophobicContact CD1-CE1 3.86Å; L17-Y42 HydrophobicContact CD2-CD1 4.47Å; L17-Y42 HydrophobicContact CD2-CE1 3.82Å; L17-Y42 HydrophobicContact CD2-CE2 4.09Å; L17-Y42 HydrophobicContact CG-CD1 4.08Å; L17-Y42 HydrophobicContact CG-CE1 3.46Å; L17-Y42 VanDerWaalsContact CG-CE1 3.46Å; L19-Y42 HydrophobicContact CB-CD1 4.13Å; L19-Y42 HydrophobicContact CB-CE1 4.36Å; A37-Y42 HydrophobicContact CB-CD1 4.44Å; A37-Y42 HydrophobicContact CB-CD2 3.95Å; A37-Y42 HydrophobicContact CB-CG 3.84Å; A37-Y42 VanDerWaalsContact O-CB 3.29Å; A37-Y42 WeakPolarHBondContact O-CB 3.38Å; A37-Y42 WeakPolarHBondContact O-CD2 3.46Å; A37-Y42 PolarHBondContact O-N 3.47Å; A40-Y42 HydrophobicContact CB-CD2 4.11Å; A40-Y42 HydrophobicContact CB-CE2 4.27Å; Y42-I250 HydrophobicContact CD2-CG2 4.38Å; Y42-I250 HydrophobicContact CE2-CG2 3.87Å; Y42-N253 WeakPolarHBondContact OH-CB 3.25Å; Y42-A254 HydrophobicContact CD2-CB 4.42Å; Y42-A254 HydrophobicContact CE2-CB 3.75Å
43R98.4Very high98.3Very high67 Ų6729.7 Ų29.725%0.25316%0.164SC..  trans-13116.6174.3-61.5-63179.3-92.41.6112.2P15 L38 D74 V75 F76P15-R43 HydrophobicContact CG-CB 4.31Å; L38-R43 PolarHBondContact O-NH1 3.41Å; R43-D74 WeakPolarHBondContact CD-O 3.41Å; R43-V75 CarbonylContact O-C 3.26Å; R43-V75 WeakPolarHBondContact O-CA 3.23Å; R43-F76 PolarHBondContact O-N 3Å
44S98.7Very high98.3Very high0 Ų030.1 Ų30.10%017%0.166CC..EExtended strand (participates in β ladder)trans-135.2134.8176.4-175.90000110.5G18 L19 F76G18-S44 CarbonylContact C-O 3.5Å; G18-S44 WeakPolarHBondContact CA-O 3.17Å; L19-S44 PolarHBondContact N-O 2.86Å; S44-F76 CarbonylContact C-O 3.16Å; S44-F76 VanDerWaalsContact CA-O 3.25Å; S44-F76 WeakPolarHBondContact CA-O 3.19Å
45F98.8Very high98.3Very high0 Ų032.2 Ų32.20%018%0.183CC..EExtended strand (participates in β ladder)trans-132.3124.3-179.6-59.8-87.4000109.6L19 V34 A37 L38 L57 L61 V75 F76 I77 T78L19-F45 HydrophobicContact CB-CD1 3.98Å; L19-F45 HydrophobicContact CB-CE1 4.25Å; L19-F45 HydrophobicContact CD2-CD1 4.08Å; L19-F45 HydrophobicContact CD2-CE1 4.11Å; V34-F45 HydrophobicContact CB-CE1 4.34Å; V34-F45 HydrophobicContact CG1-CE1 3.91Å; V34-F45 HydrophobicContact CG1-CZ 4.21Å; V34-F45 HydrophobicContact CG2-CD1 4.27Å; V34-F45 HydrophobicContact CG2-CE1 4.2Å; A37-F45 HydrophobicContact CB-CE1 3.99Å; A37-F45 HydrophobicContact CB-CZ 4.45Å; L38-F45 HydrophobicContact CD2-CE2 3.86Å; L38-F45 HydrophobicContact CD2-CZ 3.59Å; L38-F45 HydrophobicContact CG-CZ 3.84Å; F45-L57 HydrophobicContact CB-CD1 4.44Å; F45-L57 HydrophobicContact CB-CD2 4.42Å; F45-L57 HydrophobicContact CD1-CD1 4.49Å; F45-L61 HydrophobicContact CD2-CD2 4.05Å; F45-L61 HydrophobicContact CE2-CD2 3.99Å; F45-L61 HydrophobicContact CZ-CD2 4.42Å; F45-V75 HydrophobicContact CD2-CB 4.45Å; F45-V75 HydrophobicContact CE2-CB 4.33Å; F45-V75 HydrophobicContact CE2-CG1 4.07Å; F45-F76 PolarHBondContact N-O 3.02Å; F45-I77 HydrophobicContact CB-CD1 3.96Å; F45-I77 HydrophobicContact CD2-CD1 3.81Å; F45-I77 HydrophobicContact CG-CD1 4.29Å; F45-T78 PolarHBondContact O-N 3.45Å
46D98.9Very high98.3Very high5 Ų532.1 Ų32.13%0.02718%0.183CC..EExtended strand (participates in β ladder)trans-110.6117.3-178.1174-88.3000110.6L19 T21 T78 K80 Q174 L241L19-D46 PolarHBondContact O-N 3.32Å; T21-D46 PolarHBondContact N-O 3.1Å; T21-D46 PolarHBondContact OG1-O 2.86Å; T21-D46 VanDerWaalsContact OG1-O 3.06Å; D46-T78 WeakPolarHBondContact OD2-CG2 3.3Å; D46-K80 IonicContact OD1-NZ 3.44Å; D46-K80 PolarHBondContact OD1-NZ 3.47Å; D46-K80 WeakPolarHBondContact OD2-CE 3.37Å; D46-K80 IonicContact OD2-NZ 2.68Å; D46-K80 PolarHBondContact OD2-NZ 3.43Å; D46-Q174 PolarHBondContact OD2-NE2 3.41Å; D46-L241 HydrophobicContact CB-CD1 3.7Å; D46-L241 HydrophobicContact CB-CD2 3.66Å; D46-L241 HydrophobicContact CB-CG 4.19Å; D46-L241 VanDerWaalsContact CG-CD1 3.49Å
47S98.5Very high98.3Very high0 Ų031.3 Ų31.30%018%0.177CC..  trans-122.6-175.5176.8-161.30000111.1T21 N53 T78 S79 K80T21-S47 WeakPolarHBondContact OG1-CA 3.36Å; T21-S47 PolarHBondContact OG1-OG 3.37Å; S47-N53 PolarHBondContact OG-OD1 3.06Å; S47-T78 PolarHBondContact N-O 3.22Å; S47-S79 WeakPolarHBondContact O-CA 3.44Å; S47-K80 WeakPolarHBondContact O-CG 3.33Å; S47-K80 PolarHBondContact O-NZ 3.15Å
48A98.7Very high98.3Very high0 Ų031.5 Ų31.50%018%0.178CC..  trans-163151170.400000110.1V50 Y51 S79 K80 H112A48-V50 HydrophobicContact CB-CG2 4.08Å; A48-V50 PolarHBondContact O-N 3.2Å; A48-V50 VanDerWaalsContact O-N 3.1Å; A48-Y51 HydrophobicContact CB-CD1 3.88Å; A48-Y51 HydrophobicContact CB-CD2 3.85Å; A48-Y51 HydrophobicContact CB-CE1 3.76Å; A48-Y51 HydrophobicContact CB-CE2 3.72Å; A48-Y51 HydrophobicContact CB-CG 3.9Å; A48-Y51 VanDerWaalsContact N-CD2 3.31Å; A48-Y51 WeakPolarHBondContact O-CB 3.42Å; A48-Y51 PolarHBondContact O-N 3.33Å; A48-S79 WeakPolarHBondContact CA-OG 3.43Å; A48-K80 HydrophobicContact CB-CB 3.81Å; A48-K80 HydrophobicContact CB-CD 4.02Å; A48-K80 HydrophobicContact CB-CG 3.86Å; A48-H112 VanDerWaalsContact CB-CE1 3.41Å; A48-H112 WeakPolarHBondContact CB-CE1 3.33Å
49A98.3Very high98.3Very high18 Ų1836.2 Ų36.215%0.14920%0.198CC..G310 helixtrans-54.4-35.3175.200000113.1Y51 R52 E54 K80A49-Y51 PolarHBondContact O-N 3.33Å; A49-R52 PolarHBondContact O-N 2.87Å; A49-E54 VanDerWaalsContact CA-OE2 3.27Å; A49-E54 WeakPolarHBondContact CA-OE2 3.42Å; A49-K80 PolarHBondContact N-O 2.96Å
50V98Very high98.4Very high60 Ų6032.8 Ų32.836%0.36417%0.17SC..G310 helixtrans-71.5-15.5179.3-530000113.7A48 R52 H112A48-V50 HydrophobicContact CB-CG2 4.08Å; A48-V50 PolarHBondContact O-N 3.2Å; A48-V50 VanDerWaalsContact O-N 3.1Å; V50-R52 VanDerWaalsContact C-N 3.3Å; V50-H112 WeakPolarHBondContact CG2-CE1 3.38Å; V50-H112 WeakPolarHBondContact CG2-ND1 3.16Å
51Y98Very high98.4Very high40 Ų4032 Ų3216%0.15716%0.163CC..G310 helixtrans-78.1-19.6177.9-58.2-11000112Y22 A48 A49 N53 K80 H112Y22-Y51 AromaticContact CD2-CD1 3.4Å; Y22-Y51 HydrophobicContact CD2-CD1 3.4Å; Y22-Y51 AromaticContact CD2-CE1 3.41Å; Y22-Y51 HydrophobicContact CD2-CE1 3.41Å; Y22-Y51 VanDerWaalsContact CD2-CE1 3.41Å; Y22-Y51 HydrophobicContact CD2-CG 4.07Å; Y22-Y51 HydrophobicContact CE2-CD1 4.11Å; Y22-Y51 HydrophobicContact CE2-CE1 4.14Å; Y22-Y51 HydrophobicContact CG-CD1 4.29Å; Y22-Y51 AromaticContact CG-CE1 4Å; Y22-Y51 HydrophobicContact CG-CE1 4Å; A48-Y51 HydrophobicContact CB-CD1 3.88Å; A48-Y51 HydrophobicContact CB-CD2 3.85Å; A48-Y51 HydrophobicContact CB-CE1 3.76Å; A48-Y51 HydrophobicContact CB-CE2 3.72Å; A48-Y51 HydrophobicContact CB-CG 3.9Å; A48-Y51 VanDerWaalsContact N-CD2 3.31Å; A48-Y51 WeakPolarHBondContact O-CB 3.42Å; A48-Y51 PolarHBondContact O-N 3.33Å; A49-Y51 PolarHBondContact O-N 3.33Å; Y51-N53 WeakPolarHBondContact CB-OD1 3.47Å; Y51-N53 PolarHBondContact O-N 3.4Å; Y51-K80 PolarHBondContact OH-NZ 3.44Å; Y51-H112 AromaticContact CE1-CE1 3.58Å; Y51-H112 AromaticContact CZ-CE1 3.93Å
52R97.4Very high98.5Very high227 Ų22736.5 Ų36.586%0.85717%0.166SC*.SBendtrans56.736178.2-53.8-176.7-179.5-168.3-1113.4A49 V50A49-R52 PolarHBondContact O-N 2.87Å; V50-R52 VanDerWaalsContact C-N 3.3Å
53N98Very high98.5Very high3 Ų340.2 Ų40.22%0.01618%0.184CC..  trans-137.120.7177.263.410.9000112.7T21 L24 V30 S47 Y51 D56 L57T21-N53 PolarHBondContact O-ND2 2.73Å; L24-N53 PolarHBondContact O-ND2 3.46Å; L24-N53 VanDerWaalsContact O-ND2 3.11Å; V30-N53 HydrophobicContact CG2-CB 4.22Å; S47-N53 PolarHBondContact OG-OD1 3.06Å; Y51-N53 WeakPolarHBondContact CB-OD1 3.47Å; Y51-N53 PolarHBondContact O-N 3.4Å; N53-D56 HydrophobicContact CB-CB 4.45Å; N53-D56 PolarHBondContact O-N 3.48Å; N53-L57 PolarHBondContact O-N 3.37Å
54E98.7Very high98.5Very high8 Ų837 Ų374%0.03717%0.172CC..Hα-helixtrans-63.2-46.2175.2-73.9-176122.400111.7A49 D56 L57 G58 S79 S97 E100 L101A49-E54 VanDerWaalsContact CA-OE2 3.27Å; A49-E54 WeakPolarHBondContact CA-OE2 3.42Å; E54-D56 VanDerWaalsContact C-N 3.31Å; E54-D56 PolarHBondContact O-N 2.99Å; E54-L57 PolarHBondContact O-N 3.08Å; E54-L57 VanDerWaalsContact O-N 3.15Å; E54-G58 PolarHBondContact O-N 3.03Å; E54-S79 WeakPolarHBondContact OE1-CB 3.33Å; E54-S79 PolarHBondContact OE1-OG 3.27Å; E54-S97 WeakPolarHBondContact OE1-CB 3.39Å; E54-S97 PolarHBondContact OE1-OG 2.99Å; E54-S97 PolarHBondContact OE2-OG 3.45Å; E54-E100 HydrophobicContact CB-CB 3.68Å; E54-L101 HydrophobicContact CB-CD2 4.03Å; E54-L101 HydrophobicContact CB-CG 4.04Å; E54-L101 HydrophobicContact CG-CD2 4.29Å; E54-L101 HydrophobicContact CG-CG 4.31Å; E54-L101 WeakPolarHBondContact O-CD2 3.49Å
55A98.6Very high98.5Very high44 Ų4437.6 Ų37.636%0.36418%0.175SC..Hα-helixtrans-58.4-40.2173.900000113.8K59 E100A55-K59 WeakPolarHBondContact O-CB 3.46Å; A55-K59 PolarHBondContact O-N 2.9Å; A55-E100 WeakPolarHBondContact CA-O 3.47Å; A55-E100 WeakPolarHBondContact CB-OE2 3.49Å
56D98.6Very high98.5Very high37 Ų3741.9 Ų41.920%0.19820%0.203CC..Hα-helixtrans-65.5-41.8176.3-67.7-34000111.1P27 V30 N53 E54 A60P27-D56 WeakPolarHBondContact CB-OD1 3.46Å; V30-D56 HydrophobicContact CB-CB 3.96Å; V30-D56 HydrophobicContact CG1-CB 4.03Å; V30-D56 HydrophobicContact CG2-CB 3.88Å; N53-D56 HydrophobicContact CB-CB 4.45Å; N53-D56 PolarHBondContact O-N 3.48Å; E54-D56 VanDerWaalsContact C-N 3.31Å; E54-D56 PolarHBondContact O-N 2.99Å; D56-A60 VanDerWaalsContact O-CB 3.29Å; D56-A60 WeakPolarHBondContact O-CB 3.32Å; D56-A60 PolarHBondContact O-N 3.49Å
57L98.7Very high98.5Very high0 Ų047.3 Ų47.30%023%0.226CC..Hα-helixtrans-66.1-46177.4177.761.1000111.6T21 V30 V34 F45 N53 E54 K59 A60 L61 L101T21-L57 HydrophobicContact CG2-CD1 4.49Å; T21-L57 HydrophobicContact CG2-CD2 4.28Å; V30-L57 HydrophobicContact CG1-CB 4.26Å; V34-L57 HydrophobicContact CG2-CD1 3.64Å; F45-L57 HydrophobicContact CB-CD1 4.44Å; F45-L57 HydrophobicContact CB-CD2 4.42Å; F45-L57 HydrophobicContact CD1-CD1 4.49Å; N53-L57 PolarHBondContact O-N 3.37Å; E54-L57 PolarHBondContact O-N 3.08Å; E54-L57 VanDerWaalsContact O-N 3.15Å; L57-K59 PolarHBondContact O-N 2.91Å; L57-A60 PolarHBondContact O-N 3.22Å; L57-L61 HydrophobicContact CD1-CD1 3.9Å; L57-L61 HydrophobicContact CD1-CG 4Å; L57-L61 HydrophobicContact CG-CD1 3.87Å; L57-L61 HydrophobicContact CG-CG 4.41Å; L57-L61 WeakPolarHBondContact O-CB 3.34Å; L57-L61 WeakPolarHBondContact O-CG 3.5Å; L57-L61 PolarHBondContact O-N 3.35Å; L57-L101 HydrophobicContact CB-CD2 4.21Å; L57-L101 HydrophobicContact CD2-CD2 3.94Å; L57-L101 HydrophobicContact CG-CD2 4.17Å
58G98.7Very high98.5Very high3 Ų350 Ų503%0.03124%0.238CC..Hα-helixtrans-57.6-49.2177.400000111.8E54 A60 L61 R62 L101E54-G58 PolarHBondContact O-N 3.03Å; G58-A60 PolarHBondContact O-N 2.93Å; G58-L61 PolarHBondContact O-N 3.41Å; G58-R62 WeakPolarHBondContact O-CB 3.2Å; G58-R62 PolarHBondContact O-N 3.19Å; G58-L101 WeakPolarHBondContact CA-O 3.31Å
59K98.7Very high98.4Very high102 Ų10253.2 Ų53.244%0.44327%0.272SS..Hα-helixtrans-59.1-47.7174.9-178.2178.2177.6-176.40112.2A55 L57 L61 R62 E63A55-K59 WeakPolarHBondContact O-CB 3.46Å; A55-K59 PolarHBondContact O-N 2.9Å; L57-K59 PolarHBondContact O-N 2.91Å; K59-L61 PolarHBondContact O-N 3.39Å; K59-R62 PolarHBondContact O-N 2.95Å; K59-E63 WeakPolarHBondContact CE-OE1 3.47Å; K59-E63 WeakPolarHBondContact CG-OE1 3.25Å; K59-E63 WeakPolarHBondContact O-CG 3.22Å; K59-E63 PolarHBondContact O-N 3.47Å; K59-E63 VanDerWaalsContact O-N 3.17Å
60A98.7Very high98.4Very high2 Ų253.3 Ų53.32%0.01727%0.27CS..Hα-helixtrans-60.1-45.7179.800000111.6V30 Y31 V34 D56 L57 G58 E63 L64V30-A60 HydrophobicContact CG1-CB 4.32Å; Y31-A60 HydrophobicContact CD2-CB 4.27Å; V34-A60 HydrophobicContact CB-CB 4.36Å; V34-A60 HydrophobicContact CG1-CB 4.44Å; V34-A60 HydrophobicContact CG2-CB 4.42Å; D56-A60 VanDerWaalsContact O-CB 3.29Å; D56-A60 WeakPolarHBondContact O-CB 3.32Å; D56-A60 PolarHBondContact O-N 3.49Å; L57-A60 PolarHBondContact O-N 3.22Å; G58-A60 PolarHBondContact O-N 2.93Å; A60-E63 PolarHBondContact O-N 3.27Å; A60-L64 HydrophobicContact CB-CD1 4.2Å; A60-L64 WeakPolarHBondContact O-CB 3.39Å; A60-L64 WeakPolarHBondContact O-CD1 3.25Å; A60-L64 WeakPolarHBondContact O-CG 3.35Å; A60-L64 PolarHBondContact O-N 3.08Å
61L98.6Very high98.5Very high6 Ų654 Ų543%0.03127%0.274CS..Hα-helixtrans-62.8-45.1178.2-71.6168.1000111.9V34 F45 L57 G58 K59 E63 L64 L65 I77V34-L61 HydrophobicContact CG1-CD2 4.06Å; F45-L61 HydrophobicContact CD2-CD2 4.05Å; F45-L61 HydrophobicContact CE2-CD2 3.99Å; F45-L61 HydrophobicContact CZ-CD2 4.42Å; L57-L61 HydrophobicContact CD1-CD1 3.9Å; L57-L61 HydrophobicContact CD1-CG 4Å; L57-L61 HydrophobicContact CG-CD1 3.87Å; L57-L61 HydrophobicContact CG-CG 4.41Å; L57-L61 WeakPolarHBondContact O-CB 3.34Å; L57-L61 WeakPolarHBondContact O-CG 3.5Å; L57-L61 PolarHBondContact O-N 3.35Å; G58-L61 PolarHBondContact O-N 3.41Å; K59-L61 PolarHBondContact O-N 3.39Å; L61-E63 PolarHBondContact O-N 2.98Å; L61-L64 PolarHBondContact O-N 3.03Å; L61-L65 HydrophobicContact CB-CD1 4.2Å; L61-L65 HydrophobicContact CB-CG 4.41Å; L61-L65 HydrophobicContact CD2-CD1 4.5Å; L61-L65 HydrophobicContact CD2-CD2 4.33Å; L61-L65 HydrophobicContact CD2-CG 4.34Å; L61-L65 WeakPolarHBondContact O-CB 3.32Å; L61-L65 WeakPolarHBondContact O-CG 3.49Å; L61-L65 PolarHBondContact O-N 2.87Å; L61-I77 HydrophobicContact CD1-CD1 3.52Å; L61-I77 HydrophobicContact CD1-CG1 4.26Å; L61-I77 HydrophobicContact CD2-CD1 4.43Å
62R98.5Very high98.5Very high138 Ų13853.9 Ų53.952%0.52127%0.273SS..Hα-helixtrans-57.3-39177.9-174.4177.263.3-141-4.4112.5G58 K59 P66 D102G58-R62 WeakPolarHBondContact O-CB 3.2Å; G58-R62 PolarHBondContact O-N 3.19Å; K59-R62 PolarHBondContact O-N 2.95Å; R62-P66 WeakPolarHBondContact O-CD 3.49Å; R62-D102 IonicContact CZ-OD2 2.7Å; R62-D102 IonicContact NH1-OD2 2.82Å; R62-D102 PolarHBondContact NH1-OD2 3.46Å
63E98.6Very high98.5Very high84 Ų8449.3 Ų49.339%0.39326%0.261SS..Hα-helixtrans-81-37.4179.7-68.3175.3-164.700112.8Y31 K59 A60 L61Y31-E63 HydrophobicContact CE2-CB 4.21Å; Y31-E63 WeakPolarHBondContact CE2-OE2 3.49Å; K59-E63 WeakPolarHBondContact CE-OE1 3.47Å; K59-E63 WeakPolarHBondContact CG-OE1 3.25Å; K59-E63 WeakPolarHBondContact O-CG 3.22Å; K59-E63 PolarHBondContact O-N 3.47Å; K59-E63 VanDerWaalsContact O-N 3.17Å; A60-E63 PolarHBondContact O-N 3.27Å; L61-E63 PolarHBondContact O-N 2.98Å
64L98.8Very high98.5Very high0 Ų052.9 Ų52.90%028%0.28CS..Hα-helixtrans-91.6-30.4-169.6-68.6169.5000114Y31 V34 D35 L38 A60 L61 K67 H68Y31-L64 HydrophobicContact CD2-CD1 4.08Å; Y31-L64 HydrophobicContact CD2-CG 4.3Å; Y31-L64 HydrophobicContact CE1-CD1 4.48Å; Y31-L64 HydrophobicContact CE1-CD2 3.89Å; Y31-L64 HydrophobicContact CE1-CG 4.5Å; Y31-L64 HydrophobicContact CE2-CD1 4.06Å; Y31-L64 HydrophobicContact CE2-CD2 3.88Å; Y31-L64 HydrophobicContact CE2-CG 3.79Å; Y31-L64 HydrophobicContact CG-CD1 4.31Å; Y31-L64 VanDerWaalsContact CZ-CD2 3.44Å; Y31-L64 WeakPolarHBondContact OH-CD2 3.36Å; V34-L64 HydrophobicContact CB-CD1 3.98Å; V34-L64 HydrophobicContact CG1-CD1 3.73Å; D35-L64 HydrophobicContact CB-CD1 3.8Å; D35-L64 HydrophobicContact CB-CD2 3.82Å; D35-L64 HydrophobicContact CB-CG 4.47Å; D35-L64 WeakPolarHBondContact OD1-CD2 3.1Å; L38-L64 HydrophobicContact CD1-CB 3.61Å; A60-L64 HydrophobicContact CB-CD1 4.2Å; A60-L64 WeakPolarHBondContact O-CB 3.39Å; A60-L64 WeakPolarHBondContact O-CD1 3.25Å; A60-L64 WeakPolarHBondContact O-CG 3.35Å; A60-L64 PolarHBondContact O-N 3.08Å; L61-L64 PolarHBondContact O-N 3.03Å; L64-K67 HydrophobicContact CD2-CD 3.74Å; L64-K67 WeakPolarHBondContact O-CB 3.34Å; L64-K67 PolarHBondContact O-N 3.28Å; L64-H68 PolarHBondContact O-CD2 3.22Å; L64-H68 VanDerWaalsContact O-CD2 3.22Å; L64-H68 PolarHBondContact O-N 3.31Å
65L98.7Very high98.5Very high13 Ų1352.7 Ų52.77%0.06828%0.28CS..Hα-helixtrans-57.2-49.4179.3-68.5172.8000111.5L38 L61 K67 H68 G69 L70 V75L38-L65 HydrophobicContact CD1-CD2 4.42Å; L38-L65 HydrophobicContact CD2-CD2 4.08Å; L61-L65 HydrophobicContact CB-CD1 4.2Å; L61-L65 HydrophobicContact CB-CG 4.41Å; L61-L65 HydrophobicContact CD2-CD1 4.5Å; L61-L65 HydrophobicContact CD2-CD2 4.33Å; L61-L65 HydrophobicContact CD2-CG 4.34Å; L61-L65 WeakPolarHBondContact O-CB 3.32Å; L61-L65 WeakPolarHBondContact O-CG 3.49Å; L61-L65 PolarHBondContact O-N 2.87Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 3.05Å; L65-H68 CarbonylContact O-C 3.49Å; L65-H68 PolarHBondContact O-N 3.36Å; L65-H68 VanDerWaalsContact O-N 3.1Å; L65-G69 PolarHBondContact O-N 3.46Å; L65-G69 VanDerWaalsContact O-N 3.14Å; L65-L70 CarbonylContact C-O 3.54Å; L65-L70 HydrophobicContact CB-CB 4.26Å; L65-L70 WeakPolarHBondContact CB-O 3.38Å; L65-L70 HydrophobicContact CD2-CB 3.89Å; L65-L70 HydrophobicContact CD2-CD1 4.18Å; L65-L70 PolarHBondContact O-N 3.31Å; L65-V75 HydrophobicContact CD1-CG2 4.07Å; L65-V75 HydrophobicContact CD2-CB 4.48Å; L65-V75 HydrophobicContact CD2-CG1 3.58Å; L65-V75 HydrophobicContact CD2-CG2 4.06Å
66P98.6Very high98.5Very high90 Ų9051 Ų5158%0.58427%0.265SS*.Hα-helixtrans-63.6-36.2176.6-21.734.5000113.3R62 H68 G69R62-P66 WeakPolarHBondContact O-CD 3.49Å; P66-H68 PolarHBondContact O-N 2.85Å; P66-G69 PolarHBondContact O-N 2.8Å
67K98.3Very high98.5Very high119 Ų11949.3 Ų49.352%0.51726%0.255SS..Hα-helixtrans-58.3-34.8175.5178.5-168.5173.7-168.30111.7D35 L64 L65D35-K67 IonicContact OD1-NZ 3.84Å; D35-K67 PolarHBondContact OD1-NZ 2.72Å; D35-K67 IonicContact OD2-NZ 2.68Å; D35-K67 PolarHBondContact OD2-NZ 2.99Å; L64-K67 HydrophobicContact CD2-CD 3.74Å; L64-K67 WeakPolarHBondContact O-CB 3.34Å; L64-K67 PolarHBondContact O-N 3.28Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-K67 PolarHBondContact O-N 3.05Å
68H98.4Very high98.5Very high56 Ų5649.3 Ų49.326%0.25926%0.255SS..THydrogen-bonded Turntrans-94.26.6178-71.7-76.8000113.6D35 L38 L64 L65 P66 L70D35-H68 IonicContact OD1-CD2 2.72Å; D35-H68 IonicContact OD1-CE1 3.7Å; D35-H68 IonicContact OD1-NE2 3.17Å; D35-H68 PolarHBondContact OD1-NE2 3.35Å; L38-H68 HydrophobicContact CB-CB 4.49Å; L64-H68 PolarHBondContact O-CD2 3.22Å; L64-H68 VanDerWaalsContact O-CD2 3.22Å; L64-H68 PolarHBondContact O-N 3.31Å; L65-H68 CarbonylContact O-C 3.49Å; L65-H68 PolarHBondContact O-N 3.36Å; L65-H68 VanDerWaalsContact O-N 3.1Å; P66-H68 PolarHBondContact O-N 2.85Å; H68-L70 VanDerWaalsContact C-N 3.34Å; H68-L70 HydrophobicContact CB-CD1 3.91Å; H68-L70 HydrophobicContact CB-CG 4.18Å
69G98.4Very high98.5Very high68 Ų6849.1 Ų49.170%0.70125%0.254SS*.THydrogen-bonded Turntrans67.931.3-178.900000113.7L65 P66L65-G69 PolarHBondContact O-N 3.46Å; L65-G69 VanDerWaalsContact O-N 3.14Å; P66-G69 PolarHBondContact O-N 2.8Å
70L98.5Very high98.5Very high20 Ų2044.3 Ų44.311%0.10523%0.233CC..  trans-116.3155.7-177.2-58.6169.2000111L38 L65 H68 D74L38-L70 HydrophobicContact CD2-CD1 3.82Å; L65-L70 CarbonylContact C-O 3.54Å; L65-L70 HydrophobicContact CB-CB 4.26Å; L65-L70 WeakPolarHBondContact CB-O 3.38Å; L65-L70 HydrophobicContact CD2-CB 3.89Å; L65-L70 HydrophobicContact CD2-CD1 4.18Å; L65-L70 PolarHBondContact O-N 3.31Å; H68-L70 VanDerWaalsContact C-N 3.34Å; H68-L70 HydrophobicContact CB-CD1 3.91Å; H68-L70 HydrophobicContact CB-CG 4.18Å; L70-D74 WeakPolarHBondContact CA-OD2 3.28Å; L70-D74 HydrophobicContact CB-CB 4.13Å; L70-D74 HydrophobicContact CD2-CB 3.89Å
71T98.5Very high98.6Very high73 Ų7344.2 Ų44.245%0.44823%0.232SC..  trans-111.6179169.573.40000111.3E73 D74T71-E73 VanDerWaalsContact CB-OE2 3.3Å; T71-E73 WeakPolarHBondContact CB-OE2 3.48Å; T71-E73 PolarHBondContact O-N 3.41Å; T71-E73 PolarHBondContact OG1-OE2 3.3Å; T71-D74 PolarHBondContact N-OD2 3.01Å; T71-D74 PolarHBondContact O-N 3.37Å
72R98.3Very high98.5Very high38 Ų3843.9 Ų43.914%0.14323%0.23CC..G310 helixtrans-59.3-36.4178.1172.956.6-170.790.4-1.3111.9D74 V75 Y105 D107R72-D74 VanDerWaalsContact C-N 3.25Å; R72-D74 PolarHBondContact O-N 3.01Å; R72-V75 PolarHBondContact NH1-O 3.46Å; R72-V75 WeakPolarHBondContact O-CG2 3.2Å; R72-V75 PolarHBondContact O-N 3.21Å; R72-Y105 HydrophobicContact CG-CE1 4.13Å; R72-Y105 VanDerWaalsContact CZ-CE2 3.46Å; R72-Y105 PolarHBondContact NH2-O 3Å; R72-D107 IonicContact CZ-OD2 3.41Å; R72-D107 VanDerWaalsContact CZ-OD2 3.23Å; R72-D107 IonicContact NH1-OD1 2.88Å; R72-D107 IonicContact NH1-OD2 3.5Å; R72-D107 PolarHBondContact NH1-OD2 2.93Å; R72-D107 IonicContact NH2-OD2 3.79Å; R72-D107 PolarHBondContact NH2-OD2 3.42Å
73E98Very high98.5Very high131 Ų13138.3 Ų38.361%0.61221%0.212SC*.G310 helixtrans-71.8-17.8-178.1-60.368.9-148.600113.1T71 V75T71-E73 VanDerWaalsContact CB-OE2 3.3Å; T71-E73 WeakPolarHBondContact CB-OE2 3.48Å; T71-E73 PolarHBondContact O-N 3.41Å; T71-E73 PolarHBondContact OG1-OE2 3.3Å; E73-V75 VanDerWaalsContact C-N 3.28Å; E73-V75 PolarHBondContact O-N 2.99Å
74D97.8Very high98.4Very high78 Ų7839.6 Ų39.642%0.41722%0.216SC..G310 helixtrans-79.2-11.3178.4-69.8-48.1000113.2R43 L70 T71 R72R43-D74 WeakPolarHBondContact CD-O 3.41Å; L70-D74 WeakPolarHBondContact CA-OD2 3.28Å; L70-D74 HydrophobicContact CB-CB 4.13Å; L70-D74 HydrophobicContact CD2-CB 3.89Å; T71-D74 PolarHBondContact N-OD2 3.01Å; T71-D74 PolarHBondContact O-N 3.37Å; R72-D74 VanDerWaalsContact C-N 3.25Å; R72-D74 PolarHBondContact O-N 3.01Å
75V98.6Very high98.4Very high5 Ų540.8 Ų40.83%0.0322%0.223CC..SBendtrans-124.1147.4-176.7-62.70000112.5L38 R43 F45 L65 R72 E73 I77L38-V75 HydrophobicContact CD2-CG1 4.3Å; R43-V75 CarbonylContact O-C 3.26Å; R43-V75 WeakPolarHBondContact O-CA 3.23Å; F45-V75 HydrophobicContact CD2-CB 4.45Å; F45-V75 HydrophobicContact CE2-CB 4.33Å; F45-V75 HydrophobicContact CE2-CG1 4.07Å; L65-V75 HydrophobicContact CD1-CG2 4.07Å; L65-V75 HydrophobicContact CD2-CB 4.48Å; L65-V75 HydrophobicContact CD2-CG1 3.58Å; L65-V75 HydrophobicContact CD2-CG2 4.06Å; R72-V75 PolarHBondContact NH1-O 3.46Å; R72-V75 WeakPolarHBondContact O-CG2 3.2Å; R72-V75 PolarHBondContact O-N 3.21Å; E73-V75 VanDerWaalsContact C-N 3.28Å; E73-V75 PolarHBondContact O-N 2.99Å; V75-I77 HydrophobicContact CB-CD1 4.35Å; V75-I77 HydrophobicContact CG2-CD1 3.92Å; V75-I77 HydrophobicContact CG2-CG1 4.29Å
76F98.8Very high98.4Very high9 Ų940.6 Ų40.64%0.03922%0.221CC..EExtended strand (participates in β ladder)trans-104.3111.3179.3-165.8-79.1000109.6L8 L12 M14 P15 R43 S44 F45 D107 L108L8-F76 HydrophobicContact CD1-CE2 4.42Å; L8-F76 HydrophobicContact CD1-CZ 4.06Å; L12-F76 HydrophobicContact CB-CE2 4.37Å; L12-F76 HydrophobicContact CD1-CE2 4.3Å; M14-F76 HydrophobicContact CB-CD2 4.43Å; M14-F76 HydrophobicContact CB-CE1 4.47Å; M14-F76 HydrophobicContact CB-CE2 4.01Å; M14-F76 HydrophobicContact CB-CZ 4.04Å; M14-F76 HydrophobicContact CG-CD1 4Å; M14-F76 HydrophobicContact CG-CD2 4.38Å; M14-F76 HydrophobicContact CG-CE1 3.71Å; M14-F76 HydrophobicContact CG-CE2 4.1Å; M14-F76 HydrophobicContact CG-CG 4.33Å; M14-F76 HydrophobicContact CG-CZ 3.76Å; M14-F76 HydrophobicContact SD-CE1 3.8Å; M14-F76 HydrophobicContact SD-CZ 3.97Å; P15-F76 HydrophobicContact CG-CB 4.32Å; R43-F76 PolarHBondContact O-N 3Å; S44-F76 CarbonylContact C-O 3.16Å; S44-F76 VanDerWaalsContact CA-O 3.25Å; S44-F76 WeakPolarHBondContact CA-O 3.19Å; F45-F76 PolarHBondContact N-O 3.02Å; F76-D107 HydrophobicContact CD1-CB 3.9Å; F76-D107 HydrophobicContact CD2-CB 3.69Å; F76-D107 HydrophobicContact CE1-CB 3.89Å; F76-D107 HydrophobicContact CE2-CB 3.68Å; F76-D107 HydrophobicContact CG-CB 3.8Å; F76-D107 HydrophobicContact CZ-CB 3.78Å; F76-L108 HydrophobicContact CE1-CB 3.52Å; F76-L108 HydrophobicContact CE1-CD2 4.15Å; F76-L108 HydrophobicContact CZ-CB 3.75Å
77I98.9Very high98.3Very high0 Ų036.4 Ų36.40%019%0.194CC..EExtended strand (participates in β ladder)trans-103.4125-177.7-51.5-54.9000109.8F45 L61 V75 L101 L103 I106 D107 L108F45-I77 HydrophobicContact CB-CD1 3.96Å; F45-I77 HydrophobicContact CD2-CD1 3.81Å; F45-I77 HydrophobicContact CG-CD1 4.29Å; L61-I77 HydrophobicContact CD1-CD1 3.52Å; L61-I77 HydrophobicContact CD1-CG1 4.26Å; L61-I77 HydrophobicContact CD2-CD1 4.43Å; V75-I77 HydrophobicContact CB-CD1 4.35Å; V75-I77 HydrophobicContact CG2-CD1 3.92Å; V75-I77 HydrophobicContact CG2-CG1 4.29Å; I77-L101 HydrophobicContact CG2-CD1 4.26Å; I77-L103 HydrophobicContact CB-CD1 4.3Å; I77-L103 HydrophobicContact CG1-CD1 4.26Å; I77-L103 HydrophobicContact CG2-CD1 4.06Å; I77-I106 VanDerWaalsContact O-CG2 3.3Å; I77-I106 WeakPolarHBondContact O-CG2 3.29Å; I77-D107 PolarHBondContact N-OD2 3.45Å; I77-D107 WeakPolarHBondContact O-CB 3.43Å; I77-D107 PolarHBondContact O-N 3.3Å; I77-D107 VanDerWaalsContact O-N 3.08Å; I77-L108 PolarHBondContact O-N 2.84Å; I77-L108 VanDerWaalsContact O-N 3.14Å
78T98.9Very high98.3Very high0 Ų036.5 Ų36.50%021%0.205CC..EExtended strand (participates in β ladder)trans-110134.2172.8-55.50000110.3F45 D46 S47 L108 L110F45-T78 PolarHBondContact O-N 3.45Å; D46-T78 WeakPolarHBondContact OD2-CG2 3.3Å; S47-T78 PolarHBondContact N-O 3.22Å; T78-L108 VanDerWaalsContact CA-O 3.24Å; T78-L108 WeakPolarHBondContact CA-O 3.37Å; T78-L108 HydrophobicContact CG2-CB 4.11Å; T78-L108 HydrophobicContact CG2-CD2 3.88Å; T78-L108 HydrophobicContact CG2-CG 3.98Å; T78-L110 HydrophobicContact CG2-CD1 4.07Å; T78-L110 HydrophobicContact CG2-CG 4.18Å
79S98.9Very high98.3Very high0 Ų039.3 Ų39.30%022%0.216CC..EExtended strand (participates in β ladder)trans-135.7176.5163.6-168.40000111.3S47 A48 E54 L108 Y109 L110S47-S79 WeakPolarHBondContact O-CA 3.44Å; A48-S79 WeakPolarHBondContact CA-OG 3.43Å; E54-S79 WeakPolarHBondContact OE1-CB 3.33Å; E54-S79 PolarHBondContact OE1-OG 3.27Å; S79-L108 PolarHBondContact N-O 3.41Å; S79-Y109 WeakPolarHBondContact O-CA 3.26Å; S79-Y109 WeakPolarHBondContact O-CD2 3.33Å; S79-L110 PolarHBondContact O-N 3.29Å
80K98.9Very high98.3Very high0 Ų036.1 Ų36.10%018%0.183CC..EExtended strand (participates in β ladder)trans-142.9135.5-169.5-38.8-177.5-176.371.80112.6D46 S47 A48 A49 Y51 G82 L110 H112D46-K80 IonicContact OD1-NZ 3.44Å; D46-K80 PolarHBondContact OD1-NZ 3.47Å; D46-K80 WeakPolarHBondContact OD2-CE 3.37Å; D46-K80 IonicContact OD2-NZ 2.68Å; D46-K80 PolarHBondContact OD2-NZ 3.43Å; S47-K80 WeakPolarHBondContact O-CG 3.33Å; S47-K80 PolarHBondContact O-NZ 3.15Å; A48-K80 HydrophobicContact CB-CB 3.81Å; A48-K80 HydrophobicContact CB-CD 4.02Å; A48-K80 HydrophobicContact CB-CG 3.86Å; A49-K80 PolarHBondContact N-O 2.96Å; Y51-K80 PolarHBondContact OH-NZ 3.44Å; K80-G82 PolarHBondContact O-N 2.97Å; K80-L110 CarbonylContact C-O 3.57Å; K80-L110 WeakPolarHBondContact CA-O 3.38Å; K80-L110 HydrophobicContact CB-CB 4.3Å; K80-L110 WeakPolarHBondContact CB-O 3.38Å; K80-L110 HydrophobicContact CD-CB 4.47Å; K80-L110 HydrophobicContact CD-CD1 4.37Å; K80-L110 HydrophobicContact CG-CB 4.03Å; K80-L110 HydrophobicContact CG-CD1 4.4Å; K80-H112 HydrophobicContact CB-CB 3.71Å; K80-H112 HydrophobicContact CD-CB 4.27Å
81L98.9Very high98.3Very high0 Ų036.9 Ų36.90%019%0.186CC..EExtended strand (participates in β ladder)trans-65120.4171.2-174.467.7000110.1D85 Q86 A90 Y109 L110 H112L81-D85 HydrophobicContact CD1-CB 3.72Å; L81-D85 HydrophobicContact CG-CB 4.49Å; L81-Q86 HydrophobicContact CD2-CG 4.13Å; L81-A90 HydrophobicContact CD1-CB 4.43Å; L81-A90 HydrophobicContact CD2-CB 3.64Å; L81-Y109 HydrophobicContact CB-CE1 3.79Å; L81-Y109 HydrophobicContact CD1-CE1 4.47Å; L81-L110 PolarHBondContact N-O 3.41Å; L81-H112 WeakPolarHBondContact O-CB 3.32Å; L81-H112 PolarHBondContact O-N 2.92Å
82G98.1Very high98.3Very high0 Ų038.8 Ų38.80%019%0.194CC..  trans-71.7153.5177.900000113K80 K84 D85K80-G82 PolarHBondContact O-N 2.97Å; G82-K84 PolarHBondContact O-N 3.21Å; G82-K84 VanDerWaalsContact O-N 3.12Å; G82-D85 PolarHBondContact O-N 3.31Å
83P97.2Very high98.3Very high20 Ų2037.2 Ų37.213%0.1319%0.189CC..G310 helixtrans-57.5-26.6177-28.838.6000114.8D85 W113 Q117P83-D85 PolarHBondContact O-N 2.73Å; P83-W113 HydrophobicContact CG-CB 3.98Å; P83-W113 HydrophobicContact CG-CG 3.89Å; P83-Q117 HydrophobicContact CB-CB 3.91Å; P83-Q117 PolarHBondContact O-N 3.16Å
84K97.6Very high98.4Very high112 Ų11231 Ų3149%0.48716%0.16SC..G310 helixtrans-68.4-23.1177.571.4174.8-166.4175.20113.6G82 Q117G82-K84 PolarHBondContact O-N 3.21Å; G82-K84 VanDerWaalsContact O-N 3.12Å; K84-Q117 HydrophobicContact CB-CB 4.33Å
85D98.2Very high98.4Very high25 Ų2530.3 Ų30.313%0.13416%0.156CC..G310 helixtrans-110.910.7-172.2-56.7-47.4000111.8L81 G82 P83 K89 A90L81-D85 HydrophobicContact CD1-CB 3.72Å; L81-D85 HydrophobicContact CG-CB 4.49Å; G82-D85 PolarHBondContact O-N 3.31Å; P83-D85 PolarHBondContact O-N 2.73Å; D85-K89 HydrophobicContact CB-CB 4.34Å; D85-K89 CarbonylContact O-C 3.56Å; D85-K89 WeakPolarHBondContact O-CB 3.27Å; D85-A90 WeakPolarHBondContact O-CA 3.33Å; D85-A90 PolarHBondContact O-N 3.24Å
86Q98Very high98.4Very high9 Ų934.5 Ų34.54%0.04218%0.175CC..  trans-70.8163174.7-73.3-167.338.600113L81 W113 G115 T116 S133L81-Q86 HydrophobicContact CD2-CG 4.13Å; Q86-W113 PolarHBondContact NE2-O 3.18Å; Q86-G115 PolarHBondContact NE2-O 3.13Å; Q86-T116 HydrophobicContact CB-CG2 4.26Å; Q86-S133 WeakPolarHBondContact CA-OG 3.36Å; Q86-S133 WeakPolarHBondContact CB-OG 3.36Å
87G97.6Very high98.4Very high1 Ų134 Ų341%0.0117%0.173CC..G310 helixtrans73.3-132.9-177.100000110.6K89 A90 N129 S133G87-K89 PolarHBondContact O-N 3.32Å; G87-A90 VanDerWaalsContact O-CB 3.31Å; G87-A90 WeakPolarHBondContact O-CB 3.26Å; G87-A90 PolarHBondContact O-N 3.37Å; G87-N129 PolarHBondContact N-O 3.21Å; G87-S133 PolarHBondContact N-OG 2.9Å
88V97.4Very high98.4Very high122 Ų12234.5 Ų34.574%0.73918%0.175SC*.G310 helixtrans-58.8-15.7-176.8-58.80000115.2
89K98.1Very high98.4Very high115 Ų11538.6 Ų38.650%0.520%0.204SC..G310 helixtrans-95.3-1.6-179.5-64.6-178.4-178.1177.80113.9D85 G87 M91 D92 G93D85-K89 HydrophobicContact CB-CB 4.34Å; D85-K89 CarbonylContact O-C 3.56Å; D85-K89 WeakPolarHBondContact O-CB 3.27Å; G87-K89 PolarHBondContact O-N 3.32Å; K89-M91 VanDerWaalsContact C-N 3.31Å; K89-M91 PolarHBondContact O-N 3.38Å; K89-D92 PolarHBondContact O-N 3.25Å; K89-G93 PolarHBondContact O-N 3.27Å
90A98.7Very high98.4Very high0 Ų042.2 Ų42.20%022%0.221CC..Hα-helixtrans-63.4-38.6-169.200000112.9L81 D85 G87 G93 A94L81-A90 HydrophobicContact CD1-CB 4.43Å; L81-A90 HydrophobicContact CD2-CB 3.64Å; D85-A90 WeakPolarHBondContact O-CA 3.33Å; D85-A90 PolarHBondContact O-N 3.24Å; G87-A90 VanDerWaalsContact O-CB 3.31Å; G87-A90 WeakPolarHBondContact O-CB 3.26Å; G87-A90 PolarHBondContact O-N 3.37Å; A90-G93 PolarHBondContact O-N 3.27Å; A90-A94 WeakPolarHBondContact O-CB 3.32Å; A90-A94 PolarHBondContact O-N 2.98Å
91M98.8Very high98.4Very high37 Ų3742.2 Ų42.218%0.18222%0.221CC..Hα-helixtrans-56.8-55.1173.8-178.764.87300111.3K89 G93 A94 L95 E139 L140K89-M91 VanDerWaalsContact C-N 3.31Å; K89-M91 PolarHBondContact O-N 3.38Å; M91-G93 VanDerWaalsContact C-N 3.33Å; M91-G93 PolarHBondContact O-N 2.88Å; M91-A94 PolarHBondContact O-N 2.82Å; M91-L95 HydrophobicContact CG-CD1 4.1Å; M91-L95 WeakPolarHBondContact O-CG 3.38Å; M91-L95 PolarHBondContact O-N 2.85Å; M91-L95 HydrophobicContact SD-CD1 4.2Å; M91-L95 HydrophobicContact SD-CG 4.47Å; M91-E139 HydrophobicContact CE-CB 4.11Å; M91-E139 VanDerWaalsContact CE-CD 3.5Å; M91-E139 HydrophobicContact CE-CG 4.01Å; M91-E139 WeakPolarHBondContact CE-OE2 3.43Å; M91-L140 HydrophobicContact CE-CD2 4.37Å; M91-L140 HydrophobicContact CE-CG 4.05Å; M91-L140 HydrophobicContact SD-CD1 3.73Å; M91-L140 HydrophobicContact SD-CD2 3.45Å; M91-L140 WeakPolarHBondContact SD-CD2 3.48Å; M91-L140 HydrophobicContact SD-CG 3.48Å; M91-L140 WeakPolarHBondContact SD-CG 3.16Å
92D98.7Very high98.4Very high113 Ų11346.8 Ų46.860%0.60425%0.246SC*.Hα-helixtrans-62.6-40-179.1-66.1-19.1000111.7K89 L95 H96K89-D92 PolarHBondContact O-N 3.25Å; D92-L95 PolarHBondContact O-N 3.45Å; D92-H96 VanDerWaalsContact O-CB 3.27Å; D92-H96 WeakPolarHBondContact O-CB 3.46Å; D92-H96 PolarHBondContact O-N 3.49Å
93G98.7Very high98.4Very high4 Ų448.2 Ų48.24%0.04125%0.253CS..Hα-helixtrans-61.2-44.1176.900000112.7K89 A90 M91 H96 S97 Y109K89-G93 PolarHBondContact O-N 3.27Å; A90-G93 PolarHBondContact O-N 3.27Å; M91-G93 VanDerWaalsContact C-N 3.33Å; M91-G93 PolarHBondContact O-N 2.88Å; G93-H96 PolarHBondContact O-N 2.89Å; G93-S97 PolarHBondContact O-N 3.31Å; G93-Y109 PolarHBondContact O-OH 3.06Å
94A98.8Very high98.4Very high0 Ų055.6 Ų55.60%029%0.286CS..Hα-helixtrans-68.5-42.1177.600000112.7A90 M91 H96 S97 L98 Y109 L137 L140A90-A94 WeakPolarHBondContact O-CB 3.32Å; A90-A94 PolarHBondContact O-N 2.98Å; M91-A94 PolarHBondContact O-N 2.82Å; A94-H96 VanDerWaalsContact C-N 3.29Å; A94-H96 PolarHBondContact O-N 2.98Å; A94-S97 PolarHBondContact O-N 3.05Å; A94-L98 PolarHBondContact O-N 3.29Å; A94-L98 VanDerWaalsContact O-N 3.1Å; A94-Y109 WeakPolarHBondContact CA-OH 3.47Å; A94-Y109 HydrophobicContact CB-CD1 4.11Å; A94-Y109 HydrophobicContact CB-CE1 3.54Å; A94-L137 HydrophobicContact CB-CD2 4.44Å; A94-L140 HydrophobicContact CB-CD1 3.4Å
95L98.8Very high98.5Very high65 Ų6552 Ų5234%0.3427%0.269SS..Hα-helixtrans-64-35.5174.6-68.8175.7000112M91 D92 L98 S99 L140 K145M91-L95 HydrophobicContact CG-CD1 4.1Å; M91-L95 WeakPolarHBondContact O-CG 3.38Å; M91-L95 PolarHBondContact O-N 2.85Å; M91-L95 HydrophobicContact SD-CD1 4.2Å; M91-L95 HydrophobicContact SD-CG 4.47Å; D92-L95 PolarHBondContact O-N 3.45Å; L95-L98 HydrophobicContact CD2-CD1 4.24Å; L95-L98 WeakPolarHBondContact O-CB 3.39Å; L95-L98 PolarHBondContact O-N 3.28Å; L95-S99 PolarHBondContact O-N 3.24Å; L95-L140 HydrophobicContact CD2-CD2 3.86Å; L95-L140 HydrophobicContact CG-CD2 4.34Å; L95-K145 HydrophobicContact CD2-CD 3.85Å
96H98.8Very high98.5Very high92 Ų9250.8 Ų50.843%0.42626%0.263SS..Hα-helixtrans-65-44.5173.8-177.952.6000111.7D92 G93 A94 L98 S99 E100D92-H96 VanDerWaalsContact O-CB 3.27Å; D92-H96 WeakPolarHBondContact O-CB 3.46Å; D92-H96 PolarHBondContact O-N 3.49Å; G93-H96 PolarHBondContact O-N 2.89Å; A94-H96 VanDerWaalsContact C-N 3.29Å; A94-H96 PolarHBondContact O-N 2.98Å; H96-L98 VanDerWaalsContact C-N 3.32Å; H96-L98 PolarHBondContact O-N 2.85Å; H96-S99 WeakPolarHBondContact O-CB 3.4Å; H96-S99 PolarHBondContact O-N 2.88Å; H96-S99 VanDerWaalsContact O-N 3.1Å; H96-E100 IonicContact CE1-OE1 3.48Å; H96-E100 PolarHBondContact CE1-OE1 3.04Å; H96-E100 VanDerWaalsContact CE1-OE1 3.29Å; H96-E100 WeakPolarHBondContact O-CG 3.47Å; H96-E100 PolarHBondContact O-N 3.38Å
97S98.9Very high98.6Very high0 Ų051.1 Ų51.10%027%0.265CS..Hα-helixtrans-58.4-41174-76.10000112.9E54 G93 A94 S99 E100 L101 Y109E54-S97 WeakPolarHBondContact OE1-CB 3.39Å; E54-S97 PolarHBondContact OE1-OG 2.99Å; E54-S97 PolarHBondContact OE2-OG 3.45Å; G93-S97 PolarHBondContact O-N 3.31Å; A94-S97 PolarHBondContact O-N 3.05Å; S97-S99 VanDerWaalsContact C-N 3.33Å; S97-S99 PolarHBondContact O-N 3.15Å; S97-E100 PolarHBondContact O-N 3.45Å; S97-L101 WeakPolarHBondContact O-CB 3.47Å; S97-L101 WeakPolarHBondContact O-CG 3.44Å; S97-L101 PolarHBondContact O-N 3.42Å; S97-Y109 PolarHBondContact OG-OH 3.25Å
98L98.8Very high98.6Very high9 Ų951.1 Ų51.15%0.04727%0.265CS..Hα-helixtrans-59-44.7173.3-81158.4000111.6A94 L95 H96 D102 L103 I106 K145A94-L98 PolarHBondContact O-N 3.29Å; A94-L98 VanDerWaalsContact O-N 3.1Å; L95-L98 HydrophobicContact CD2-CD1 4.24Å; L95-L98 WeakPolarHBondContact O-CB 3.39Å; L95-L98 PolarHBondContact O-N 3.28Å; H96-L98 VanDerWaalsContact C-N 3.32Å; H96-L98 PolarHBondContact O-N 2.85Å; L98-D102 PolarHBondContact O-N 2.83Å; L98-D102 VanDerWaalsContact O-N 3.1Å; L98-L103 HydrophobicContact CD2-CB 4.37Å; L98-L103 WeakPolarHBondContact CD2-O 3.33Å; L98-L103 PolarHBondContact O-N 2.96Å; L98-I106 HydrophobicContact CD2-CD1 3.95Å; L98-I106 HydrophobicContact CD2-CG1 3.69Å; L98-I106 HydrophobicContact CG-CD1 3.86Å; L98-I106 HydrophobicContact CG-CG1 4.19Å; L98-K145 HydrophobicContact CD1-CB 3.97Å; L98-K145 HydrophobicContact CD1-CD 4.34Å; L98-K145 HydrophobicContact CD1-CG 4.46Å
99S98.8Very high98.7Very high87 Ų8745.3 Ų45.361%0.60823%0.229SC*.Hα-helixtrans-65-44177.6-175.30000112.5L95 H96 S97 D102L95-S99 PolarHBondContact O-N 3.24Å; H96-S99 WeakPolarHBondContact O-CB 3.4Å; H96-S99 PolarHBondContact O-N 2.88Å; H96-S99 VanDerWaalsContact O-N 3.1Å; S97-S99 VanDerWaalsContact C-N 3.33Å; S97-S99 PolarHBondContact O-N 3.15Å; S99-D102 PolarHBondContact O-N 3.16Å
100E98.6Very high98.8Very high75 Ų7539.8 Ų39.835%0.3521%0.206SC..Hα-helixtrans-64.7-44.1178.9-71-69.6120.200110.5E54 A55 H96 S97 D102E54-E100 HydrophobicContact CB-CB 3.68Å; A55-E100 WeakPolarHBondContact CA-O 3.47Å; A55-E100 WeakPolarHBondContact CB-OE2 3.49Å; H96-E100 IonicContact CE1-OE1 3.48Å; H96-E100 PolarHBondContact CE1-OE1 3.04Å; H96-E100 VanDerWaalsContact CE1-OE1 3.29Å; H96-E100 WeakPolarHBondContact O-CG 3.47Å; H96-E100 PolarHBondContact O-N 3.38Å; S97-E100 PolarHBondContact O-N 3.45Å; E100-D102 PolarHBondContact O-N 2.96Å
101L98.8Very high98.8Very high1 Ų139.8 Ų39.81%0.00521%0.206CC..Hα-helixtrans-70.9-10.6177.1-69.5164.9000113.5E54 L57 G58 I77 S97 L103 I106E54-L101 HydrophobicContact CB-CD2 4.03Å; E54-L101 HydrophobicContact CB-CG 4.04Å; E54-L101 HydrophobicContact CG-CD2 4.29Å; E54-L101 HydrophobicContact CG-CG 4.31Å; E54-L101 WeakPolarHBondContact O-CD2 3.49Å; L57-L101 HydrophobicContact CB-CD2 4.21Å; L57-L101 HydrophobicContact CD2-CD2 3.94Å; L57-L101 HydrophobicContact CG-CD2 4.17Å; G58-L101 WeakPolarHBondContact CA-O 3.31Å; I77-L101 HydrophobicContact CG2-CD1 4.26Å; S97-L101 WeakPolarHBondContact O-CB 3.47Å; S97-L101 WeakPolarHBondContact O-CG 3.44Å; S97-L101 PolarHBondContact O-N 3.42Å; L101-L103 HydrophobicContact CB-CB 4.36Å; L101-L103 HydrophobicContact CB-CD1 3.8Å; L101-L103 HydrophobicContact CB-CG 3.78Å; L101-L103 HydrophobicContact CD1-CD1 4.25Å; L101-I106 HydrophobicContact CD1-CD1 3.87Å; L101-I106 HydrophobicContact CD1-CG1 4.07Å
102D98.5Very high98.8Very high95 Ų9538.5 Ų38.551%0.50820%0.199SC..THydrogen-bonded Turntrans55.947.5-172.8-167.535000112R62 L98 S99 E100R62-D102 IonicContact CZ-OD2 2.7Å; R62-D102 IonicContact NH1-OD2 2.82Å; R62-D102 PolarHBondContact NH1-OD2 3.46Å; L98-D102 PolarHBondContact O-N 2.83Å; L98-D102 VanDerWaalsContact O-N 3.1Å; S99-D102 PolarHBondContact O-N 3.16Å; E100-D102 PolarHBondContact O-N 2.96Å
103L98.6Very high98.7Very high31 Ų3135.9 Ų35.916%0.16218%0.181CC..  trans-123.7143.9-175.7-63.6-178.9000112.7I77 L98 L101 I106I77-L103 HydrophobicContact CB-CD1 4.3Å; I77-L103 HydrophobicContact CG1-CD1 4.26Å; I77-L103 HydrophobicContact CG2-CD1 4.06Å; L98-L103 HydrophobicContact CD2-CB 4.37Å; L98-L103 WeakPolarHBondContact CD2-O 3.33Å; L98-L103 PolarHBondContact O-N 2.96Å; L101-L103 HydrophobicContact CB-CB 4.36Å; L101-L103 HydrophobicContact CB-CD1 3.8Å; L101-L103 HydrophobicContact CB-CG 3.78Å; L101-L103 HydrophobicContact CD1-CD1 4.25Å; L103-I106 HydrophobicContact CD1-CG1 4.47Å
104E98.4Very high98.6Very high174 Ų17435.7 Ų35.781%0.81318%0.179SC*.SBendtrans-76.1-30.2169.9-62.3-173.316500112.5
105Y98.8Very high98.5Very high37 Ų3736.4 Ų36.415%0.14519%0.186CC..  trans-144.2152.3176.571-90.4000112.8R72 K145 R147R72-Y105 HydrophobicContact CG-CE1 4.13Å; R72-Y105 VanDerWaalsContact CZ-CE2 3.46Å; R72-Y105 PolarHBondContact NH2-O 3Å; Y105-K145 CarbonylContact C-O 3.58Å; Y105-K145 VanDerWaalsContact CA-O 3.22Å; Y105-K145 WeakPolarHBondContact CA-O 3.27Å; Y105-R147 HydrophobicContact CD2-CG 3.52Å; Y105-R147 HydrophobicContact CE2-CG 4.13Å; Y105-R147 HydrophobicContact CG-CG 4.21Å
106I98.9Very high98.4Very high0 Ų034.3 Ų34.30%018%0.176CC..EExtended strand (participates in β ladder)trans-110.2136.6169-65.9166.1000108.4I77 L98 L101 L103 L108 Y109 K145 L146 R147I77-I106 VanDerWaalsContact O-CG2 3.3Å; I77-I106 WeakPolarHBondContact O-CG2 3.29Å; L98-I106 HydrophobicContact CD2-CD1 3.95Å; L98-I106 HydrophobicContact CD2-CG1 3.69Å; L98-I106 HydrophobicContact CG-CD1 3.86Å; L98-I106 HydrophobicContact CG-CG1 4.19Å; L101-I106 HydrophobicContact CD1-CD1 3.87Å; L101-I106 HydrophobicContact CD1-CG1 4.07Å; L103-I106 HydrophobicContact CD1-CG1 4.47Å; I106-L108 WeakPolarHBondContact CG2-O 3.38Å; I106-Y109 HydrophobicContact CD1-CD2 3.79Å; I106-Y109 HydrophobicContact CD1-CE2 3.99Å; I106-Y109 HydrophobicContact CG2-CD2 4.27Å; I106-K145 PolarHBondContact N-O 3.02Å; I106-L146 HydrophobicContact CB-CD2 4.14Å; I106-L146 HydrophobicContact CD1-CD2 4.44Å; I106-R147 PolarHBondContact O-N 3.26Å
107D98.9Very high98.3Very high16 Ų1636.2 Ų36.29%0.08619%0.185CC..EExtended strand (participates in β ladder)trans-69-40.8-177.5-61.7-85.3000112R72 F76 I77 A148R72-D107 IonicContact CZ-OD2 3.41Å; R72-D107 VanDerWaalsContact CZ-OD2 3.23Å; R72-D107 IonicContact NH1-OD1 2.88Å; R72-D107 IonicContact NH1-OD2 3.5Å; R72-D107 PolarHBondContact NH1-OD2 2.93Å; R72-D107 IonicContact NH2-OD2 3.79Å; R72-D107 PolarHBondContact NH2-OD2 3.42Å; F76-D107 HydrophobicContact CD1-CB 3.9Å; F76-D107 HydrophobicContact CD2-CB 3.69Å; F76-D107 HydrophobicContact CE1-CB 3.89Å; F76-D107 HydrophobicContact CE2-CB 3.68Å; F76-D107 HydrophobicContact CG-CB 3.8Å; F76-D107 HydrophobicContact CZ-CB 3.78Å; I77-D107 PolarHBondContact N-OD2 3.45Å; I77-D107 WeakPolarHBondContact O-CB 3.43Å; I77-D107 PolarHBondContact O-N 3.3Å; I77-D107 VanDerWaalsContact O-N 3.08Å; D107-A148 WeakPolarHBondContact O-CB 3.47Å; D107-A148 PolarHBondContact O-N 3.11Å
108L98.9Very high98.1Very high0 Ų040 Ų400%022%0.224CC..EExtended strand (participates in β ladder)trans-139.4126.6176.8178.963.7000111.2M14 F76 I77 T78 S79 I106 L110 A148 V172M14-L108 HydrophobicContact SD-CD2 4Å; F76-L108 HydrophobicContact CE1-CB 3.52Å; F76-L108 HydrophobicContact CE1-CD2 4.15Å; F76-L108 HydrophobicContact CZ-CB 3.75Å; I77-L108 PolarHBondContact O-N 2.84Å; I77-L108 VanDerWaalsContact O-N 3.14Å; T78-L108 VanDerWaalsContact CA-O 3.24Å; T78-L108 WeakPolarHBondContact CA-O 3.37Å; T78-L108 HydrophobicContact CG2-CB 4.11Å; T78-L108 HydrophobicContact CG2-CD2 3.88Å; T78-L108 HydrophobicContact CG2-CG 3.98Å; S79-L108 PolarHBondContact N-O 3.41Å; I106-L108 WeakPolarHBondContact CG2-O 3.38Å; L108-L110 HydrophobicContact CD1-CD2 3.68Å; L108-L110 HydrophobicContact CD2-CD2 3.93Å; L108-L110 HydrophobicContact CD2-CG 4.38Å; L108-L110 HydrophobicContact CG-CD2 3.66Å; L108-L110 HydrophobicContact CG-CG 4.14Å; L108-A148 WeakPolarHBondContact CA-O 3.43Å; L108-A148 HydrophobicContact CD1-CB 4Å; L108-V172 HydrophobicContact CD1-CB 4.18Å; L108-V172 HydrophobicContact CD1-CG2 4Å; L108-V172 HydrophobicContact CD2-CB 3.96Å; L108-V172 HydrophobicContact CD2-CG1 4.19Å; L108-V172 HydrophobicContact CD2-CG2 3.65Å; L108-V172 HydrophobicContact CG-CG2 4.49Å
109Y98.9Very high98Very high0 Ų041.5 Ų41.50%023%0.232CC..EExtended strand (participates in β ladder)trans-120127.3172.8-154-109.3000111S79 L81 G93 A94 S97 I106 L137 L146 A148 I149 G150S79-Y109 WeakPolarHBondContact O-CA 3.26Å; S79-Y109 WeakPolarHBondContact O-CD2 3.33Å; L81-Y109 HydrophobicContact CB-CE1 3.79Å; L81-Y109 HydrophobicContact CD1-CE1 4.47Å; G93-Y109 PolarHBondContact O-OH 3.06Å; A94-Y109 WeakPolarHBondContact CA-OH 3.47Å; A94-Y109 HydrophobicContact CB-CD1 4.11Å; A94-Y109 HydrophobicContact CB-CE1 3.54Å; S97-Y109 PolarHBondContact OG-OH 3.25Å; I106-Y109 HydrophobicContact CD1-CD2 3.79Å; I106-Y109 HydrophobicContact CD1-CE2 3.99Å; I106-Y109 HydrophobicContact CG2-CD2 4.27Å; Y109-L137 HydrophobicContact CD1-CD1 3.72Å; Y109-L137 HydrophobicContact CD1-CD2 4.18Å; Y109-L137 HydrophobicContact CE1-CD2 4.45Å; Y109-L146 HydrophobicContact CD1-CD1 4.12Å; Y109-L146 HydrophobicContact CD1-CD2 4.49Å; Y109-L146 HydrophobicContact CD2-CD2 4.33Å; Y109-L146 HydrophobicContact CG-CD1 4.22Å; Y109-L146 HydrophobicContact CG-CD2 3.94Å; Y109-A148 PolarHBondContact N-O 3.01Å; Y109-I149 WeakPolarHBondContact O-CA 3.36Å; Y109-G150 PolarHBondContact O-N 3Å
110L98.9Very high97.8Very high0 Ų044.7 Ų44.70%024%0.237CC..EExtended strand (participates in β ladder)trans-110.9142.2-173.9-51.9178.9000112T78 S79 K80 L81 L108 H112 G150 V172 Q174T78-L110 HydrophobicContact CG2-CD1 4.07Å; T78-L110 HydrophobicContact CG2-CG 4.18Å; S79-L110 PolarHBondContact O-N 3.29Å; K80-L110 CarbonylContact C-O 3.57Å; K80-L110 WeakPolarHBondContact CA-O 3.38Å; K80-L110 HydrophobicContact CB-CB 4.3Å; K80-L110 WeakPolarHBondContact CB-O 3.38Å; K80-L110 HydrophobicContact CD-CB 4.47Å; K80-L110 HydrophobicContact CD-CD1 4.37Å; K80-L110 HydrophobicContact CG-CB 4.03Å; K80-L110 HydrophobicContact CG-CD1 4.4Å; L81-L110 PolarHBondContact N-O 3.41Å; L108-L110 HydrophobicContact CD1-CD2 3.68Å; L108-L110 HydrophobicContact CD2-CD2 3.93Å; L108-L110 HydrophobicContact CD2-CG 4.38Å; L108-L110 HydrophobicContact CG-CD2 3.66Å; L108-L110 HydrophobicContact CG-CG 4.14Å; L110-H112 PolarHBondContact O-N 3.22Å; L110-G150 CarbonylContact C-O 3.51Å; L110-G150 VanDerWaalsContact CA-O 3.23Å; L110-G150 WeakPolarHBondContact CA-O 3.43Å; L110-G150 VanDerWaalsContact CD2-C 3.41Å; L110-G150 VanDerWaalsContact CD2-CA 3.47Å; L110-V172 HydrophobicContact CD2-CB 4.25Å; L110-V172 HydrophobicContact CD2-CG1 4.49Å; L110-Q174 HydrophobicContact CD1-CB 3.75Å; L110-Q174 HydrophobicContact CD1-CG 4.45Å
111I98.9Very high97.5Very high0 Ų044.9 Ų44.90%024%0.243CC..EExtended strand (participates in β ladder)trans-69.6114.3156.3-59.7176.3000107.2W113 W134 L137 G150 V151 S152 Y154I111-W113 WeakPolarHBondContact CG2-O 3.39Å; I111-W113 PolarHBondContact O-N 2.85Å; I111-W134 HydrophobicContact CD1-CB 4.32Å; I111-W134 HydrophobicContact CD1-CE3 3.87Å; I111-W134 HydrophobicContact CG1-CE3 4.45Å; I111-L137 HydrophobicContact CG1-CD1 4.26Å; I111-G150 PolarHBondContact N-O 3.43Å; I111-V151 HydrophobicContact CB-CG1 4.3Å; I111-V151 HydrophobicContact CD1-CG1 4.49Å; I111-S152 PolarHBondContact O-N 2.81Å; I111-Y154 HydrophobicContact CB-CE1 4.43Å; I111-Y154 HydrophobicContact CG2-CE1 4.14Å
112H98.6Very high97.2Very high10 Ų1047.8 Ų47.85%0.04627%0.268CS..  trans-67.8-38-168.5-159.8157.7000113.3A48 V50 Y51 K80 L81 L110 S152 N153A48-H112 VanDerWaalsContact CB-CE1 3.41Å; A48-H112 WeakPolarHBondContact CB-CE1 3.33Å; V50-H112 WeakPolarHBondContact CG2-CE1 3.38Å; V50-H112 WeakPolarHBondContact CG2-ND1 3.16Å; Y51-H112 AromaticContact CE1-CE1 3.58Å; Y51-H112 AromaticContact CZ-CE1 3.93Å; K80-H112 HydrophobicContact CB-CB 3.71Å; K80-H112 HydrophobicContact CD-CB 4.27Å; L81-H112 WeakPolarHBondContact O-CB 3.32Å; L81-H112 PolarHBondContact O-N 2.92Å; L110-H112 PolarHBondContact O-N 3.22Å; H112-S152 WeakPolarHBondContact O-CB 3.49Å; H112-N153 PolarHBondContact O-ND2 2.86Å
113W97.5Very high97.1Very high57 Ų5744.8 Ų44.822%0.21625%0.252CS..  trans-140.2150.6-175.9-62.5100.3000109.9P83 Q86 I111 G115 N153 W280P83-W113 HydrophobicContact CG-CB 3.98Å; P83-W113 HydrophobicContact CG-CG 3.89Å; Q86-W113 PolarHBondContact NE2-O 3.18Å; I111-W113 WeakPolarHBondContact CG2-O 3.39Å; I111-W113 PolarHBondContact O-N 2.85Å; W113-G115 VanDerWaalsContact C-N 3.28Å; W113-G115 PolarHBondContact O-N 3.29Å; W113-N153 HydrophobicContact CE3-CB 3.54Å; W113-N153 VanDerWaalsContact CE3-ND2 3.27Å; W113-N153 HydrophobicContact CZ3-CB 3.49Å; W113-N153 VanDerWaalsContact CZ3-CB 3.49Å; W113-N153 WeakPolarHBondContact CZ3-ND2 3.33Å; W113-W280 AromaticContact CD2-CZ2 3.96Å; W113-W280 HydrophobicContact CD2-CZ2 3.96Å; W113-W280 HydrophobicContact CE3-CD2 4.4Å; W113-W280 AromaticContact CE3-CE2 3.3Å; W113-W280 AromaticContact CE3-CH2 3.78Å; W113-W280 HydrophobicContact CE3-CH2 3.78Å; W113-W280 AromaticContact CE3-CZ2 2.92Å; W113-W280 HydrophobicContact CE3-CZ2 2.92Å; W113-W280 AromaticContact CE3-NE1 3.57Å; W113-W280 AromaticContact CH2-CD1 3.24Å; W113-W280 HydrophobicContact CH2-CD2 4.33Å; W113-W280 AromaticContact CH2-CE2 3.53Å; W113-W280 HydrophobicContact CH2-CG 4.25Å; W113-W280 HydrophobicContact CH2-CZ2 4.09Å; W113-W280 AromaticContact CH2-NE1 2.94Å; W113-W280 AromaticContact CZ3-CD1 3.5Å; W113-W280 HydrophobicContact CZ3-CD2 4.07Å; W113-W280 AromaticContact CZ3-CE2 2.93Å; W113-W280 HydrophobicContact CZ3-CG 4.39Å; W113-W280 HydrophobicContact CZ3-CH2 4.26Å; W113-W280 AromaticContact CZ3-CZ2 3.07Å; W113-W280 HydrophobicContact CZ3-CZ2 3.07Å; W113-W280 AromaticContact CZ3-NE1 2.66Å
114P96.7Very high97Very high0 Ų050.3 Ų50.30%028%0.281CS..SBendtrans-72.5-21175.627.7-33.4000113.4R130 Y154 H158 W280 P282 V285P114-R130 VanDerWaalsContact O-CD 3.23Å; P114-R130 WeakPolarHBondContact O-CD 3.32Å; P114-R130 WeakPolarHBondContact O-CG 3.35Å; P114-R130 PolarHBondContact O-NH1 2.82Å; P114-Y154 HydrophobicContact CB-CD1 4.04Å; P114-Y154 HydrophobicContact CB-CE1 3.96Å; P114-H158 VanDerWaalsContact CB-CE1 3.49Å; P114-H158 WeakPolarHBondContact CB-CE1 3.44Å; P114-W280 HydrophobicContact CG-CH2 4.3Å; P114-P282 HydrophobicContact CG-CB 4.11Å; P114-V285 HydrophobicContact CB-CB 4.45Å; P114-V285 HydrophobicContact CB-CG1 4.04Å; P114-V285 HydrophobicContact CG-CB 4.07Å; P114-V285 HydrophobicContact CG-CG1 4.09Å; P114-V285 HydrophobicContact CG-CG2 4.17Å
115G95.9Very high96.9Very high15 Ų1549 Ų4916%0.15527%0.269CS..SBendtrans-94.5150.3-177.500000113.6Q86 W113Q86-G115 PolarHBondContact NE2-O 3.13Å; W113-G115 VanDerWaalsContact C-N 3.28Å; W113-G115 PolarHBondContact O-N 3.29Å
116T97.1Very high96.8Very high21 Ų2147.2 Ų47.213%0.12926%0.262CS..PPolyproline II helixtrans-92.1137173.6-54.40000111.2Q86 G118 L119 N126 N129Q86-T116 HydrophobicContact CB-CG2 4.26Å; T116-G118 PolarHBondContact O-N 2.96Å; T116-L119 HydrophobicContact CG2-CD1 4.33Å; T116-L119 HydrophobicContact CG2-CG 4.33Å; T116-L119 PolarHBondContact O-N 3.41Å; T116-N126 PolarHBondContact N-OD1 3Å; T116-N129 VanDerWaalsContact OG1-CB 3.27Å; T116-N129 WeakPolarHBondContact OG1-CB 3.34Å; T116-N129 PolarHBondContact OG1-ND2 3.39Å
117Q96.3Very high96.7Very high133 Ų13349.8 Ų49.862%0.62128%0.279SS*.THydrogen-bonded Turntrans-62.4137.8179.1-173.2170.9-27.500111.6P83 K84 L119P83-Q117 HydrophobicContact CB-CB 3.91Å; P83-Q117 PolarHBondContact O-N 3.16Å; K84-Q117 HydrophobicContact CB-CB 4.33Å; Q117-L119 VanDerWaalsContact C-N 3.25Å; Q117-L119 PolarHBondContact O-N 3.28Å
118G95.6Very high96.6Very high79 Ų7950.7 Ų50.781%0.81429%0.292SS*.THydrogen-bonded Turntrans84.3-4179.100000114T116T116-G118 PolarHBondContact O-N 2.96Å
119L95.5Very high96.6Very high41 Ų4152.3 Ų52.322%0.21530%0.301CS..SBendtrans-96.1156.6168.8-57-165.7000110.8T116 Q117 D123 R125T116-L119 HydrophobicContact CG2-CD1 4.33Å; T116-L119 HydrophobicContact CG2-CG 4.33Å; T116-L119 PolarHBondContact O-N 3.41Å; Q117-L119 VanDerWaalsContact C-N 3.25Å; Q117-L119 PolarHBondContact O-N 3.28Å; L119-D123 HydrophobicContact CB-CB 3.95Å; L119-D123 HydrophobicContact CD1-CB 4.37Å; L119-R125 HydrophobicContact CD1-CB 3.86Å; L119-R125 VanDerWaalsContact CD2-CZ 3.48Å; L119-R125 VanDerWaalsContact CD2-NH2 3.3Å
120Q95Very high96.5Very high153 Ų15353.1 Ų53.172%0.71530%0.304SS*.  trans-67.8153.8165.7-63.8-175.80.700109.4A122 D123 N126Q120-A122 VanDerWaalsContact C-N 3.26Å; Q120-A122 PolarHBondContact O-N 3Å; Q120-D123 HydrophobicContact CB-CB 4.37Å; Q120-D123 WeakPolarHBondContact O-CB 3.45Å; Q120-D123 PolarHBondContact O-N 2.88Å; Q120-D123 VanDerWaalsContact O-N 3.1Å; Q120-N126 PolarHBondContact O-ND2 2.88Å; Q120-N126 VanDerWaalsContact O-ND2 3.09Å
121V91.9Very high96.5Very high79 Ų7955.5 Ų55.548%0.47932%0.323SS..THydrogen-bonded Turntrans-58.8-40.8179.8-65.60000111.4D123 N126 E284 V285 A286V121-D123 VanDerWaalsContact C-N 3.29Å; V121-D123 PolarHBondContact O-N 2.96Å; V121-N126 PolarHBondContact O-ND2 3.45Å; V121-E284 CarbonylContact C-O 3.5Å; V121-E284 HydrophobicContact CB-CB 4.49Å; V121-E284 WeakPolarHBondContact CB-O 3.41Å; V121-E284 HydrophobicContact CG2-CB 4.02Å; V121-E284 WeakPolarHBondContact CG2-O 3.19Å; V121-V285 HydrophobicContact CB-CG2 4.24Å; V121-V285 HydrophobicContact CG1-CG2 4.37Å; V121-V285 CarbonylContact O-C 3.06Å; V121-V285 VanDerWaalsContact O-CA 3.29Å; V121-V285 WeakPolarHBondContact O-CA 3.4Å; V121-A286 PolarHBondContact O-N 2.82Å
122A93.8Very high96.5Very high63 Ų6359.9 Ų59.952%0.52134%0.344SS..THydrogen-bonded Turntrans-87.414.9178.800000114.2Q120 D124Q120-A122 VanDerWaalsContact C-N 3.26Å; Q120-A122 PolarHBondContact O-N 3Å; A122-D124 PolarHBondContact O-N 3.35Å
123D96.3Very high96.5Very high31 Ų3159.4 Ų59.417%0.16634%0.341CS..  trans-70.6125.7-178.6-166-61.5000111.3L119 Q120 V121 R125 N126L119-D123 HydrophobicContact CB-CB 3.95Å; L119-D123 HydrophobicContact CD1-CB 4.37Å; Q120-D123 HydrophobicContact CB-CB 4.37Å; Q120-D123 WeakPolarHBondContact O-CB 3.45Å; Q120-D123 PolarHBondContact O-N 2.88Å; Q120-D123 VanDerWaalsContact O-N 3.1Å; V121-D123 VanDerWaalsContact C-N 3.29Å; V121-D123 PolarHBondContact O-N 2.96Å; D123-R125 PolarHBondContact O-N 3.5Å; D123-R125 VanDerWaalsContact OD1-CB 3.28Å; D123-R125 WeakPolarHBondContact OD1-CB 3.42Å; D123-R125 WeakPolarHBondContact OD1-CG 3.27Å; D123-R125 IonicContact OD1-CZ 3.5Å; D123-R125 PolarHBondContact OD1-N 3.16Å; D123-R125 IonicContact OD1-NE 3.6Å; D123-R125 PolarHBondContact OD1-NE 3.25Å; D123-R125 IonicContact OD1-NH2 3.22Å; D123-R125 IonicContact OD2-CZ 2.73Å; D123-R125 IonicContact OD2-NE 3.84Å; D123-R125 PolarHBondContact OD2-NE 2.89Å; D123-R125 IonicContact OD2-NH2 2.77Å; D123-R125 PolarHBondContact OD2-NH2 3.41Å; D123-N126 WeakPolarHBondContact O-CB 3.34Å; D123-N126 PolarHBondContact O-N 3.08Å; D123-N126 PolarHBondContact O-ND2 3.09Å
124D95.6Very high96.5Very high147 Ų14756.9 Ų56.979%0.78633%0.332SS*.THydrogen-bonded Turntrans-61.8-9.9-177.1-66.3-33.1000114.3A122 P127A122-D124 PolarHBondContact O-N 3.35Å; D124-P127 WeakPolarHBondContact O-CD 3.44Å
125R96.6Very high96.6Very high146 Ų14659.2 Ų59.255%0.55135%0.352SS*.Hα-helixtrans-79.8-19.5173-64.5172.6-72.5-177.4-8.3113.2L119 D123 G128 N129L119-R125 HydrophobicContact CD1-CB 3.86Å; L119-R125 VanDerWaalsContact CD2-CZ 3.48Å; L119-R125 VanDerWaalsContact CD2-NH2 3.3Å; D123-R125 PolarHBondContact O-N 3.5Å; D123-R125 VanDerWaalsContact OD1-CB 3.28Å; D123-R125 WeakPolarHBondContact OD1-CB 3.42Å; D123-R125 WeakPolarHBondContact OD1-CG 3.27Å; D123-R125 IonicContact OD1-CZ 3.5Å; D123-R125 PolarHBondContact OD1-N 3.16Å; D123-R125 IonicContact OD1-NE 3.6Å; D123-R125 PolarHBondContact OD1-NE 3.25Å; D123-R125 IonicContact OD1-NH2 3.22Å; D123-R125 IonicContact OD2-CZ 2.73Å; D123-R125 IonicContact OD2-NE 3.84Å; D123-R125 PolarHBondContact OD2-NE 2.89Å; D123-R125 IonicContact OD2-NH2 2.77Å; D123-R125 PolarHBondContact OD2-NH2 3.41Å; R125-G128 PolarHBondContact O-N 2.84Å; R125-N129 PolarHBondContact O-N 3.1Å
126N97.1Very high96.8Very high1 Ų159.5 Ų59.51%0.00535%0.351CS..Hα-helixtrans-56.6-47.2-179.8-74.8-45.5000112.7T116 Q120 V121 D123 G128 N129 R130 V285 A286T116-N126 PolarHBondContact N-OD1 3Å; Q120-N126 PolarHBondContact O-ND2 2.88Å; Q120-N126 VanDerWaalsContact O-ND2 3.09Å; V121-N126 PolarHBondContact O-ND2 3.45Å; D123-N126 WeakPolarHBondContact O-CB 3.34Å; D123-N126 PolarHBondContact O-N 3.08Å; D123-N126 PolarHBondContact O-ND2 3.09Å; N126-G128 VanDerWaalsContact C-N 3.33Å; N126-G128 PolarHBondContact O-N 2.99Å; N126-N129 PolarHBondContact O-N 3.41Å; N126-R130 WeakPolarHBondContact O-CG 3.1Å; N126-R130 PolarHBondContact O-N 3.35Å; N126-V285 HydrophobicContact CB-CG1 4.48Å; N126-A286 VanDerWaalsContact CB-O 3.29Å; N126-A286 WeakPolarHBondContact CB-O 3.28Å
127P97.1Very high96.9Very high53 Ų5358.5 Ų58.534%0.34435%0.345SS..Hα-helixtrans-54.8-45.1174.2-24.630.7000113.8D124 R130 A131D124-P127 WeakPolarHBondContact O-CD 3.44Å; P127-R130 PolarHBondContact O-N 3.41Å; P127-A131 WeakPolarHBondContact O-CB 3.5Å; P127-A131 PolarHBondContact O-N 3.39Å
128G97.4Very high97Very high36 Ų3653.3 Ų53.337%0.37132%0.32SS..Hα-helixtrans-64.5-43.2178.600000112.6R125 N126 A131 Q132R125-G128 PolarHBondContact O-N 2.84Å; N126-G128 VanDerWaalsContact C-N 3.33Å; N126-G128 PolarHBondContact O-N 2.99Å; G128-A131 PolarHBondContact O-N 3.39Å; G128-Q132 WeakPolarHBondContact O-CB 3.34Å; G128-Q132 WeakPolarHBondContact O-CG 3.29Å; G128-Q132 PolarHBondContact O-N 3.4Å
129N97.9Very high97.1Very high33 Ų3354.7 Ų54.718%0.17631%0.306CS..Hα-helixtrans-66.4-38.7177.8-70.9-12.4000112.1G87 T116 R125 N126 S133G87-N129 PolarHBondContact N-O 3.21Å; T116-N129 VanDerWaalsContact OG1-CB 3.27Å; T116-N129 WeakPolarHBondContact OG1-CB 3.34Å; T116-N129 PolarHBondContact OG1-ND2 3.39Å; R125-N129 PolarHBondContact O-N 3.1Å; N126-N129 PolarHBondContact O-N 3.41Å; N129-S133 WeakPolarHBondContact O-CB 3.27Å; N129-S133 PolarHBondContact O-N 2.87Å; N129-S133 PolarHBondContact O-OG 2.86Å
130R97.6Very high97.3Very high18 Ų1852.8 Ų52.87%0.06830%0.296CS..Hα-helixtrans-61.3-48.1173.2-73.3-171.8-63.8-108.9-2.5111.4P114 N126 P127 S133 W134 Y154 H158 A286P114-R130 VanDerWaalsContact O-CD 3.23Å; P114-R130 WeakPolarHBondContact O-CD 3.32Å; P114-R130 WeakPolarHBondContact O-CG 3.35Å; P114-R130 PolarHBondContact O-NH1 2.82Å; N126-R130 WeakPolarHBondContact O-CG 3.1Å; N126-R130 PolarHBondContact O-N 3.35Å; P127-R130 PolarHBondContact O-N 3.41Å; R130-S133 PolarHBondContact O-N 3.22Å; R130-W134 PolarHBondContact O-N 3.5Å; R130-Y154 WeakPolarHBondContact CD-OH 3.12Å; R130-Y154 WeakPolarHBondContact CG-OH 3.31Å; R130-H158 VanDerWaalsContact CZ-CD2 3.44Å; R130-H158 PolarHBondContact NH1-CD2 2.71Å; R130-H158 PolarHBondContact NH1-NE2 2.86Å; R130-A286 PolarHBondContact NH1-O 3.33Å; R130-A286 PolarHBondContact NH2-O 2.95Å; R130-A286 PolarHBondContact NH2-OXT 3.48Å
131A98.1Very high97.5Very high50 Ų5048.1 Ų48.141%0.41327%0.274SS..Hα-helixtrans-62-44.7179.600000112P127 G128 W134 A135P127-A131 WeakPolarHBondContact O-CB 3.5Å; P127-A131 PolarHBondContact O-N 3.39Å; G128-A131 PolarHBondContact O-N 3.39Å; A131-W134 PolarHBondContact O-N 2.75Å; A131-A135 PolarHBondContact O-N 3.1Å
132Q98.3Very high97.8Very high91 Ų9147.7 Ų47.743%0.42529%0.285SS..Hα-helixtrans-62.3-43.4174.7-75.1178.80.100112G128 W134 A135 S136G128-Q132 WeakPolarHBondContact O-CB 3.34Å; G128-Q132 WeakPolarHBondContact O-CG 3.29Å; G128-Q132 PolarHBondContact O-N 3.4Å; Q132-W134 VanDerWaalsContact C-N 3.32Å; Q132-W134 PolarHBondContact O-N 2.86Å; Q132-A135 PolarHBondContact O-N 3.14Å; Q132-S136 PolarHBondContact O-N 3.03Å; Q132-S136 VanDerWaalsContact O-N 3.11Å; Q132-S136 PolarHBondContact O-OG 2.92Å
133S98.8Very high98Very high0 Ų049.5 Ų49.50%028%0.283CS..Hα-helixtrans-60.5-43.8177.1-53.70000111.6Q86 G87 N129 R130 S136 L137Q86-S133 WeakPolarHBondContact CA-OG 3.36Å; Q86-S133 WeakPolarHBondContact CB-OG 3.36Å; G87-S133 PolarHBondContact N-OG 2.9Å; N129-S133 WeakPolarHBondContact O-CB 3.27Å; N129-S133 PolarHBondContact O-N 2.87Å; N129-S133 PolarHBondContact O-OG 2.86Å; R130-S133 PolarHBondContact O-N 3.22Å; S133-S136 PolarHBondContact O-N 3.29Å; S133-L137 VanDerWaalsContact O-CG 3.32Å; S133-L137 WeakPolarHBondContact O-CG 3.45Å; S133-L137 PolarHBondContact O-N 2.9Å; S133-L137 VanDerWaalsContact O-N 3.08Å
134W98.9Very high98.1Very high4 Ų449.9 Ų49.92%0.01530%0.295CS..Hα-helixtrans-62-44.9177.6-168.6-103.9000111.6I111 R130 A131 Q132 S136 L137 E138 I149 G150 V151 L162 C166 V168 P170I111-W134 HydrophobicContact CD1-CB 4.32Å; I111-W134 HydrophobicContact CD1-CE3 3.87Å; I111-W134 HydrophobicContact CG1-CE3 4.45Å; R130-W134 PolarHBondContact O-N 3.5Å; A131-W134 PolarHBondContact O-N 2.75Å; Q132-W134 VanDerWaalsContact C-N 3.32Å; Q132-W134 PolarHBondContact O-N 2.86Å; W134-S136 VanDerWaalsContact C-N 3.3Å; W134-S136 PolarHBondContact O-N 3.36Å; W134-L137 CarbonylContact O-C 3.45Å; W134-L137 WeakPolarHBondContact O-CA 3.31Å; W134-L137 WeakPolarHBondContact O-CB 3.46Å; W134-L137 PolarHBondContact O-N 2.88Å; W134-E138 VanDerWaalsContact CD1-CD 3.47Å; W134-E138 VanDerWaalsContact CD1-OE1 3.26Å; W134-E138 PolarHBondContact NE1-OE1 3.36Å; W134-E138 WeakPolarHBondContact O-CG 3.4Å; W134-E138 PolarHBondContact O-N 3.06Å; W134-I149 HydrophobicContact CD2-CD1 4.5Å; W134-I149 HydrophobicContact CH2-CB 3.91Å; W134-I149 HydrophobicContact CH2-CD1 3.7Å; W134-I149 HydrophobicContact CH2-CG1 3.56Å; W134-I149 HydrophobicContact CZ2-CD1 3.49Å; W134-I149 VanDerWaalsContact CZ2-CD1 3.49Å; W134-I149 HydrophobicContact CZ2-CG1 3.76Å; W134-I149 HydrophobicContact CZ3-CB 4.23Å; W134-I149 HydrophobicContact CZ3-CD1 4.28Å; W134-I149 HydrophobicContact CZ3-CG1 4.3Å; W134-G150 WeakPolarHBondContact CZ3-O 3.3Å; W134-V151 HydrophobicContact CE3-CG1 4.18Å; W134-V151 HydrophobicContact CZ3-CG1 3.87Å; W134-L162 HydrophobicContact CB-CD1 4.1Å; W134-L162 HydrophobicContact CD2-CD1 3.63Å; W134-L162 HydrophobicContact CD2-CD2 4.31Å; W134-L162 HydrophobicContact CE3-CD1 4.35Å; W134-L162 HydrophobicContact CE3-CD2 4.34Å; W134-L162 HydrophobicContact CG-CD1 3.46Å; W134-L162 VanDerWaalsContact CG-CD1 3.46Å; W134-L162 HydrophobicContact CZ3-CD2 4.47Å; W134-C166 VanDerWaalsContact NE1-CB 3.3Å; W134-V168 WeakPolarHBondContact CZ2-O 3.34Å; W134-V168 PolarHBondContact NE1-O 3.25Å; W134-P170 HydrophobicContact CH2-CB 3.65Å; W134-P170 HydrophobicContact CZ2-CB 4.06Å; W134-P170 HydrophobicContact CZ3-CB 4.49Å
135A98.7Very high98.3Very high50 Ų5046.5 Ų46.541%0.41327%0.273SS..Hα-helixtrans-58.6-40.1177.100000112.6A131 Q132 L137 E138 E139A131-A135 PolarHBondContact O-N 3.1Å; Q132-A135 PolarHBondContact O-N 3.14Å; A135-L137 VanDerWaalsContact C-N 3.33Å; A135-L137 PolarHBondContact O-N 2.77Å; A135-E138 PolarHBondContact O-N 3.02Å; A135-E139 PolarHBondContact O-N 2.95Å
136S98.8Very high98.4Very high20 Ų2039.6 Ų39.614%0.1425%0.247CC..Hα-helixtrans-64.2-37.6173.1-61.20000112.5Q132 S133 W134 E139 L140Q132-S136 PolarHBondContact O-N 3.03Å; Q132-S136 VanDerWaalsContact O-N 3.11Å; Q132-S136 PolarHBondContact O-OG 2.92Å; S133-S136 PolarHBondContact O-N 3.29Å; W134-S136 VanDerWaalsContact C-N 3.3Å; W134-S136 PolarHBondContact O-N 3.36Å; S136-E139 PolarHBondContact O-N 3.36Å; S136-L140 WeakPolarHBondContact O-CG 3.44Å; S136-L140 PolarHBondContact O-N 3.23Å; S136-L140 VanDerWaalsContact O-N 3.07Å
137L98.8Very high98.4Very high0 Ų045.4 Ų45.40%027%0.268CS..Hα-helixtrans-69.7-38.7177.9-64.2-136.3000111.3A94 Y109 I111 S133 W134 A135 E139 L140 H141 L146 I149A94-L137 HydrophobicContact CB-CD2 4.44Å; Y109-L137 HydrophobicContact CD1-CD1 3.72Å; Y109-L137 HydrophobicContact CD1-CD2 4.18Å; Y109-L137 HydrophobicContact CE1-CD2 4.45Å; I111-L137 HydrophobicContact CG1-CD1 4.26Å; S133-L137 VanDerWaalsContact O-CG 3.32Å; S133-L137 WeakPolarHBondContact O-CG 3.45Å; S133-L137 PolarHBondContact O-N 2.9Å; S133-L137 VanDerWaalsContact O-N 3.08Å; W134-L137 CarbonylContact O-C 3.45Å; W134-L137 WeakPolarHBondContact O-CA 3.31Å; W134-L137 WeakPolarHBondContact O-CB 3.46Å; W134-L137 PolarHBondContact O-N 2.88Å; A135-L137 VanDerWaalsContact C-N 3.33Å; A135-L137 PolarHBondContact O-N 2.77Å; L137-E139 VanDerWaalsContact C-N 3.32Å; L137-E139 PolarHBondContact O-N 3.22Å; L137-L140 PolarHBondContact O-N 3.18Å; L137-H141 VanDerWaalsContact O-CB 3.31Å; L137-H141 WeakPolarHBondContact O-CB 3.42Å; L137-H141 PolarHBondContact O-N 2.88Å; L137-L146 HydrophobicContact CB-CD1 4.41Å; L137-L146 HydrophobicContact CD1-CD1 4.49Å; L137-L146 HydrophobicContact CD2-CD1 4.38Å; L137-I149 HydrophobicContact CB-CB 4.35Å; L137-I149 HydrophobicContact CB-CD1 4.18Å; L137-I149 HydrophobicContact CB-CG2 4Å; L137-I149 HydrophobicContact CD1-CG2 4.37Å
138E98.9Very high98.5Very high24 Ų2442.9 Ų42.911%0.11225%0.252CS..Hα-helixtrans-60.2-41.7173-69.5-176.7150.900111.8W134 A135 H141 G142 I149 C166 K167 V168W134-E138 VanDerWaalsContact CD1-CD 3.47Å; W134-E138 VanDerWaalsContact CD1-OE1 3.26Å; W134-E138 PolarHBondContact NE1-OE1 3.36Å; W134-E138 WeakPolarHBondContact O-CG 3.4Å; W134-E138 PolarHBondContact O-N 3.06Å; A135-E138 PolarHBondContact O-N 3.02Å; E138-H141 WeakPolarHBondContact O-CB 3.27Å; E138-H141 PolarHBondContact O-N 3.35Å; E138-G142 PolarHBondContact O-N 3.48Å; E138-I149 HydrophobicContact CB-CD1 4.47Å; E138-I149 HydrophobicContact CG-CD1 3.85Å; E138-C166 WeakPolarHBondContact OE1-CA 3.22Å; E138-K167 WeakPolarHBondContact OE1-CA 3.4Å; E138-K167 PolarHBondContact OE1-N 2.72Å; E138-V168 HydrophobicContact CB-CG2 4.38Å; E138-V168 HydrophobicContact CG-CB 4.06Å; E138-V168 HydrophobicContact CG-CG2 4.09Å; E138-V168 PolarHBondContact OE1-N 2.95Å
139E98.8Very high98.6Very high109 Ų10941.2 Ų41.251%0.50924%0.235SC..Hα-helixtrans-63.5-48.8176.5-174.6179168.200111.5M91 A135 S136 L137 H141 G142 Q143M91-E139 HydrophobicContact CE-CB 4.11Å; M91-E139 VanDerWaalsContact CE-CD 3.5Å; M91-E139 HydrophobicContact CE-CG 4.01Å; M91-E139 WeakPolarHBondContact CE-OE2 3.43Å; A135-E139 PolarHBondContact O-N 2.95Å; S136-E139 PolarHBondContact O-N 3.36Å; L137-E139 VanDerWaalsContact C-N 3.32Å; L137-E139 PolarHBondContact O-N 3.22Å; E139-H141 VanDerWaalsContact C-N 3.26Å; E139-H141 PolarHBondContact O-N 3.39Å; E139-G142 PolarHBondContact O-N 2.91Å; E139-G142 VanDerWaalsContact O-N 3.13Å; E139-Q143 WeakPolarHBondContact O-CG 3.35Å; E139-Q143 PolarHBondContact O-N 3.38Å; E139-Q143 PolarHBondContact OE1-NE2 2.88Å
140L98.9Very high98.6Very high0 Ų039.7 Ų39.70%023%0.226CC..Hα-helixtrans-64.9-31.1177.3-73.5171000113M91 A94 L95 S136 L137 Q143 G144 K145 L146M91-L140 HydrophobicContact CE-CD2 4.37Å; M91-L140 HydrophobicContact CE-CG 4.05Å; M91-L140 HydrophobicContact SD-CD1 3.73Å; M91-L140 HydrophobicContact SD-CD2 3.45Å; M91-L140 WeakPolarHBondContact SD-CD2 3.48Å; M91-L140 HydrophobicContact SD-CG 3.48Å; M91-L140 WeakPolarHBondContact SD-CG 3.16Å; A94-L140 HydrophobicContact CB-CD1 3.4Å; L95-L140 HydrophobicContact CD2-CD2 3.86Å; L95-L140 HydrophobicContact CG-CD2 4.34Å; S136-L140 WeakPolarHBondContact O-CG 3.44Å; S136-L140 PolarHBondContact O-N 3.23Å; S136-L140 VanDerWaalsContact O-N 3.07Å; L137-L140 PolarHBondContact O-N 3.18Å; L140-Q143 PolarHBondContact O-N 3.07Å; L140-G144 PolarHBondContact O-N 3.16Å; L140-K145 HydrophobicContact CD2-CB 4.3Å; L140-K145 HydrophobicContact CD2-CD 3.63Å; L140-K145 PolarHBondContact O-N 3.34Å; L140-L146 HydrophobicContact CB-CD1 3.61Å; L140-L146 HydrophobicContact CB-CG 3.82Å; L140-L146 HydrophobicContact CD1-CD1 4.03Å; L140-L146 HydrophobicContact CG-CD1 4.5Å; L140-L146 PolarHBondContact O-N 3.43Å
141H98.7Very high98.7Very high55 Ų5538.8 Ų38.826%0.25522%0.223SC..Hα-helixtrans-64.8-46.8170.6176.863.6000111.4L137 E138 E139 Q143 G144 L146 R147 I149L137-H141 VanDerWaalsContact O-CB 3.31Å; L137-H141 WeakPolarHBondContact O-CB 3.42Å; L137-H141 PolarHBondContact O-N 2.88Å; E138-H141 WeakPolarHBondContact O-CB 3.27Å; E138-H141 PolarHBondContact O-N 3.35Å; E139-H141 VanDerWaalsContact C-N 3.26Å; E139-H141 PolarHBondContact O-N 3.39Å; H141-Q143 PolarHBondContact O-N 2.74Å; H141-G144 PolarHBondContact O-N 3.45Å; H141-L146 WeakPolarHBondContact CA-O 3.3Å; H141-L146 PolarHBondContact ND1-O 3.23Å; H141-R147 PolarHBondContact CE1-O 3.47Å; H141-R147 PolarHBondContact ND1-O 2.94Å; H141-I149 HydrophobicContact CB-CD1 4.36Å; H141-I149 HydrophobicContact CB-CG2 4.09Å
142G98.6Very high98.7Very high70 Ų7036.4 Ų36.472%0.72220%0.204SC*.Hα-helixtrans-60.7-27.8174.600000113.8E138 E139 G144E138-G142 PolarHBondContact O-N 3.48Å; E139-G142 PolarHBondContact O-N 2.91Å; E139-G142 VanDerWaalsContact O-N 3.13Å; G142-G144 VanDerWaalsContact C-N 3.31Å
143Q98.5Very high98.7Very high102 Ų10232.3 Ų32.348%0.47719%0.185SC..THydrogen-bonded Turntrans-81.6-4.1173-64.9174.121.100113.8E139 L140 H141 K145E139-Q143 WeakPolarHBondContact O-CG 3.35Å; E139-Q143 PolarHBondContact O-N 3.38Å; E139-Q143 PolarHBondContact OE1-NE2 2.88Å; L140-Q143 PolarHBondContact O-N 3.07Å; H141-Q143 PolarHBondContact O-N 2.74Å; Q143-K145 VanDerWaalsContact C-N 3.25Å; Q143-K145 HydrophobicContact CB-CG 4.39Å; Q143-K145 PolarHBondContact O-N 2.82Å
144G98.3Very high98.7Very high39 Ų3932.6 Ų32.640%0.40219%0.186SC..THydrogen-bonded Turntrans772.5-178.900000115.3L140 H141 G142L140-G144 PolarHBondContact O-N 3.16Å; H141-G144 PolarHBondContact O-N 3.45Å; G142-G144 VanDerWaalsContact C-N 3.31Å
145K98.8Very high98.7Very high76 Ų7633.3 Ų33.333%0.3319%0.191SC..SBendtrans-72.5-30.9178.7-70.1-179174.9-65.40112.4L95 L98 Y105 I106 L140 Q143L95-K145 HydrophobicContact CD2-CD 3.85Å; L98-K145 HydrophobicContact CD1-CB 3.97Å; L98-K145 HydrophobicContact CD1-CD 4.34Å; L98-K145 HydrophobicContact CD1-CG 4.46Å; Y105-K145 CarbonylContact C-O 3.58Å; Y105-K145 VanDerWaalsContact CA-O 3.22Å; Y105-K145 WeakPolarHBondContact CA-O 3.27Å; I106-K145 PolarHBondContact N-O 3.02Å; L140-K145 HydrophobicContact CD2-CB 4.3Å; L140-K145 HydrophobicContact CD2-CD 3.63Å; L140-K145 PolarHBondContact O-N 3.34Å; Q143-K145 VanDerWaalsContact C-N 3.25Å; Q143-K145 HydrophobicContact CB-CG 4.39Å; Q143-K145 PolarHBondContact O-N 2.82Å
146L98.8Very high98.6Very high0 Ų032.1 Ų32.10%018%0.178CC..EExtended strand (participates in β ladder)trans-118.4110.9174.3-52.7178.8000108.2I106 Y109 L137 L140 H141 A148 I149I106-L146 HydrophobicContact CB-CD2 4.14Å; I106-L146 HydrophobicContact CD1-CD2 4.44Å; Y109-L146 HydrophobicContact CD1-CD1 4.12Å; Y109-L146 HydrophobicContact CD1-CD2 4.49Å; Y109-L146 HydrophobicContact CD2-CD2 4.33Å; Y109-L146 HydrophobicContact CG-CD1 4.22Å; Y109-L146 HydrophobicContact CG-CD2 3.94Å; L137-L146 HydrophobicContact CB-CD1 4.41Å; L137-L146 HydrophobicContact CD1-CD1 4.49Å; L137-L146 HydrophobicContact CD2-CD1 4.38Å; L140-L146 HydrophobicContact CB-CD1 3.61Å; L140-L146 HydrophobicContact CB-CG 3.82Å; L140-L146 HydrophobicContact CD1-CD1 4.03Å; L140-L146 HydrophobicContact CG-CD1 4.5Å; L140-L146 PolarHBondContact O-N 3.43Å; H141-L146 WeakPolarHBondContact CA-O 3.3Å; H141-L146 PolarHBondContact ND1-O 3.23Å; L146-A148 PolarHBondContact O-N 2.73Å; L146-I149 HydrophobicContact CB-CG2 3.82Å; L146-I149 HydrophobicContact CD1-CG2 3.84Å
147R98.7Very high98.6Very high123 Ų12334.2 Ų34.246%0.46420%0.197SC..EExtended strand (participates in β ladder)trans-71.2-34.1-174.1-59.6-65.3-58.2-127.2-4.8112.2L12 Y105 I106 H141L12-R147 HydrophobicContact CD1-CB 3.64Å; L12-R147 HydrophobicContact CD2-CB 4.43Å; Y105-R147 HydrophobicContact CD2-CG 3.52Å; Y105-R147 HydrophobicContact CE2-CG 4.13Å; Y105-R147 HydrophobicContact CG-CG 4.21Å; I106-R147 PolarHBondContact O-N 3.26Å; H141-R147 PolarHBondContact CE1-O 3.47Å; H141-R147 PolarHBondContact ND1-O 2.94Å
148A98.8Very high98.5Very high0 Ų034.5 Ų34.50%020%0.199CC..EExtended strand (participates in β ladder)trans-138.9153.8167.100000109.8L8 A10 L12 D107 L108 Y109 L146 A171L8-A148 HydrophobicContact CD1-CB 4.28Å; A10-A148 HydrophobicContact CB-CB 3.9Å; L12-A148 HydrophobicContact CD1-CB 3.73Å; D107-A148 WeakPolarHBondContact O-CB 3.47Å; D107-A148 PolarHBondContact O-N 3.11Å; L108-A148 WeakPolarHBondContact CA-O 3.43Å; L108-A148 HydrophobicContact CD1-CB 4Å; Y109-A148 PolarHBondContact N-O 3.01Å; L146-A148 PolarHBondContact O-N 2.73Å; A148-A171 HydrophobicContact CB-CB 3.89Å
149I98.9Very high98.5Very high2 Ų233.4 Ų33.41%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-126146.6177.756.5171.8000109.4Y109 W134 L137 E138 H141 L146 V168 A171Y109-I149 WeakPolarHBondContact O-CA 3.36Å; W134-I149 HydrophobicContact CD2-CD1 4.5Å; W134-I149 HydrophobicContact CH2-CB 3.91Å; W134-I149 HydrophobicContact CH2-CD1 3.7Å; W134-I149 HydrophobicContact CH2-CG1 3.56Å; W134-I149 HydrophobicContact CZ2-CD1 3.49Å; W134-I149 VanDerWaalsContact CZ2-CD1 3.49Å; W134-I149 HydrophobicContact CZ2-CG1 3.76Å; W134-I149 HydrophobicContact CZ3-CB 4.23Å; W134-I149 HydrophobicContact CZ3-CD1 4.28Å; W134-I149 HydrophobicContact CZ3-CG1 4.3Å; L137-I149 HydrophobicContact CB-CB 4.35Å; L137-I149 HydrophobicContact CB-CD1 4.18Å; L137-I149 HydrophobicContact CB-CG2 4Å; L137-I149 HydrophobicContact CD1-CG2 4.37Å; E138-I149 HydrophobicContact CB-CD1 4.47Å; E138-I149 HydrophobicContact CG-CD1 3.85Å; H141-I149 HydrophobicContact CB-CD1 4.36Å; H141-I149 HydrophobicContact CB-CG2 4.09Å; L146-I149 HydrophobicContact CB-CG2 3.82Å; L146-I149 HydrophobicContact CD1-CG2 3.84Å; I149-V168 HydrophobicContact CD1-CB 4.18Å; I149-V168 HydrophobicContact CD1-CG1 4.14Å; I149-V168 HydrophobicContact CG1-CG1 4.24Å; I149-A171 PolarHBondContact O-N 2.68Å
150G98.9Very high98.5Very high0 Ų032.7 Ų32.70%019%0.189CC..EExtended strand (participates in β ladder)trans-158-169.7-177.400000112.5Y109 L110 I111 W134 V172Y109-G150 PolarHBondContact O-N 3Å; L110-G150 CarbonylContact C-O 3.51Å; L110-G150 VanDerWaalsContact CA-O 3.23Å; L110-G150 WeakPolarHBondContact CA-O 3.43Å; L110-G150 VanDerWaalsContact CD2-C 3.41Å; L110-G150 VanDerWaalsContact CD2-CA 3.47Å; I111-G150 PolarHBondContact N-O 3.43Å; W134-G150 WeakPolarHBondContact CZ3-O 3.3Å; G150-V172 WeakPolarHBondContact CA-O 3.11Å
151V98.9Very high98.4Very high0 Ų035 Ų350%021%0.208CC..EExtended strand (participates in β ladder)trans-133.4157.9-177.8-66.60000110.7I111 W134 Y154 M159 L162 V172 L173 Q174I111-V151 HydrophobicContact CB-CG1 4.3Å; I111-V151 HydrophobicContact CD1-CG1 4.49Å; W134-V151 HydrophobicContact CE3-CG1 4.18Å; W134-V151 HydrophobicContact CZ3-CG1 3.87Å; V151-Y154 HydrophobicContact CB-CD1 3.8Å; V151-Y154 HydrophobicContact CB-CD2 3.99Å; V151-Y154 HydrophobicContact CB-CE1 3.93Å; V151-Y154 HydrophobicContact CB-CE2 4.15Å; V151-Y154 HydrophobicContact CB-CG 3.83Å; V151-Y154 HydrophobicContact CG1-CD1 4.33Å; V151-Y154 HydrophobicContact CG1-CD2 4Å; V151-Y154 HydrophobicContact CG1-CE1 4.03Å; V151-Y154 HydrophobicContact CG1-CE2 3.71Å; V151-Y154 HydrophobicContact CG1-CG 4.32Å; V151-Y154 HydrophobicContact CG2-CD1 4.32Å; V151-Y154 HydrophobicContact CG2-CD2 3.95Å; V151-Y154 HydrophobicContact CG2-CG 3.86Å; V151-M159 HydrophobicContact CG2-SD 3.63Å; V151-L162 HydrophobicContact CG1-CD2 3.7Å; V151-L162 HydrophobicContact CG2-CD2 4.45Å; V151-V172 PolarHBondContact N-O 3.06Å; V151-L173 HydrophobicContact CG2-CD1 3.84Å; V151-L173 CarbonylContact O-C 3.59Å; V151-L173 VanDerWaalsContact O-CA 3.31Å; V151-L173 WeakPolarHBondContact O-CA 3.48Å; V151-Q174 PolarHBondContact O-N 3.24Å
152S98.8Very high98.4Very high0 Ų033 Ų330%020%0.199CC..EExtended strand (participates in β ladder)trans-129.5140.9174.1-172.50000109.5I111 H112 Y154 Q174I111-S152 PolarHBondContact O-N 2.81Å; H112-S152 WeakPolarHBondContact O-CB 3.49Å; S152-Y154 WeakPolarHBondContact O-CD1 3.38Å; S152-Y154 PolarHBondContact O-N 3.34Å; S152-Q174 CarbonylContact C-O 3.54Å; S152-Q174 WeakPolarHBondContact CA-O 3.25Å; S152-Q174 WeakPolarHBondContact CB-O 3.18Å; S152-Q174 PolarHBondContact OG-O 2.88Å
153N98.4Very high98.3Very high5 Ų531.9 Ų31.93%0.02718%0.176CC..SBendtrans63.123.1176.5-51.9-68000115.2H112 W113 Q174 Y200 W280 P282H112-N153 PolarHBondContact O-ND2 2.86Å; W113-N153 HydrophobicContact CE3-CB 3.54Å; W113-N153 VanDerWaalsContact CE3-ND2 3.27Å; W113-N153 HydrophobicContact CZ3-CB 3.49Å; W113-N153 VanDerWaalsContact CZ3-CB 3.49Å; W113-N153 WeakPolarHBondContact CZ3-ND2 3.33Å; N153-Q174 PolarHBondContact N-O 2.99Å; N153-Y200 VanDerWaalsContact OD1-CE1 3.22Å; N153-Y200 WeakPolarHBondContact OD1-CE1 3.37Å; N153-Y200 PolarHBondContact OD1-OH 2.67Å; N153-W280 HydrophobicContact CB-CZ2 4.18Å; N153-P282 WeakPolarHBondContact O-CB 3.27Å; N153-P282 WeakPolarHBondContact O-CG 3.4Å
154Y98.5Very high98.2Very high5 Ų535 Ų352%0.0219%0.19CC..  trans-76.8139.1172.2-83.737.8000109.6I111 P114 R130 V151 S152 H158 M159 L162I111-Y154 HydrophobicContact CB-CE1 4.43Å; I111-Y154 HydrophobicContact CG2-CE1 4.14Å; P114-Y154 HydrophobicContact CB-CD1 4.04Å; P114-Y154 HydrophobicContact CB-CE1 3.96Å; R130-Y154 WeakPolarHBondContact CD-OH 3.12Å; R130-Y154 WeakPolarHBondContact CG-OH 3.31Å; V151-Y154 HydrophobicContact CB-CD1 3.8Å; V151-Y154 HydrophobicContact CB-CD2 3.99Å; V151-Y154 HydrophobicContact CB-CE1 3.93Å; V151-Y154 HydrophobicContact CB-CE2 4.15Å; V151-Y154 HydrophobicContact CB-CG 3.83Å; V151-Y154 HydrophobicContact CG1-CD1 4.33Å; V151-Y154 HydrophobicContact CG1-CD2 4Å; V151-Y154 HydrophobicContact CG1-CE1 4.03Å; V151-Y154 HydrophobicContact CG1-CE2 3.71Å; V151-Y154 HydrophobicContact CG1-CG 4.32Å; V151-Y154 HydrophobicContact CG2-CD1 4.32Å; V151-Y154 HydrophobicContact CG2-CD2 3.95Å; V151-Y154 HydrophobicContact CG2-CG 3.86Å; S152-Y154 WeakPolarHBondContact O-CD1 3.38Å; S152-Y154 PolarHBondContact O-N 3.34Å; Y154-H158 HydrophobicContact CD2-CB 3.47Å; Y154-H158 VanDerWaalsContact CD2-CB 3.47Å; Y154-H158 HydrophobicContact CE2-CB 4.19Å; Y154-H158 HydrophobicContact CG-CB 3.69Å; Y154-M159 HydrophobicContact CD2-SD 4.42Å; Y154-L162 HydrophobicContact CE2-CD2 4.27Å
155T97.9Very high97.9Very high20 Ų2037 Ų3712%0.12320%0.197CC..  trans-83.5170.9174.764.30000109A157 H158 M159 P282T155-A157 PolarHBondContact O-N 3.14Å; T155-A157 PolarHBondContact OG1-N 3.08Å; T155-H158 PolarHBondContact N-ND1 3.41Å; T155-H158 PolarHBondContact O-N 3.34Å; T155-H158 VanDerWaalsContact O-N 3.17Å; T155-H158 VanDerWaalsContact OG1-CG 3.27Å; T155-H158 PolarHBondContact OG1-N 2.84Å; T155-H158 PolarHBondContact OG1-ND1 2.92Å; T155-M159 WeakPolarHBondContact O-CG 3.38Å; T155-M159 PolarHBondContact O-N 2.97Å; T155-P282 HydrophobicContact CG2-CB 4.07Å; T155-P282 HydrophobicContact CG2-CG 4.01Å
156P97.8Very high97.9Very high24 Ų2434.5 Ų34.516%0.15619%0.189CC..Hα-helixtrans-54.3-37.9172.4-26.834.7000113M159 K160 E185 L186 L189P156-M159 PolarHBondContact O-N 2.91Å; P156-K160 WeakPolarHBondContact O-CB 3.33Å; P156-K160 VanDerWaalsContact O-CG 3.27Å; P156-K160 WeakPolarHBondContact O-CG 3.49Å; P156-K160 PolarHBondContact O-N 3.25Å; P156-E185 HydrophobicContact CB-CG 4.3Å; P156-E185 WeakPolarHBondContact CB-OE1 3.36Å; P156-E185 HydrophobicContact CG-CB 4.46Å; P156-E185 VanDerWaalsContact CG-CD 3.42Å; P156-E185 HydrophobicContact CG-CG 3.89Å; P156-L186 HydrophobicContact CB-CD2 4.43Å; P156-L186 HydrophobicContact CG-CD2 3.76Å; P156-L186 HydrophobicContact CG-CG 4.03Å; P156-L189 HydrophobicContact CB-CD2 4.2Å
157A97.1Very high97.8Very high65 Ų6543.3 Ų43.354%0.53723%0.228SC..Hα-helixtrans-65.5-47.3176.400000111.9T155 M159 K160 A161T155-A157 PolarHBondContact O-N 3.14Å; T155-A157 PolarHBondContact OG1-N 3.08Å; A157-M159 VanDerWaalsContact C-N 3.33Å; A157-M159 PolarHBondContact O-N 2.79Å; A157-K160 PolarHBondContact O-N 3.49Å; A157-A161 WeakPolarHBondContact O-CB 3.15Å; A157-A161 PolarHBondContact O-N 2.9Å
158H98.2Very high97.8Very high6 Ų639.3 Ų39.33%0.02822%0.217CC..Hα-helixtrans-60-42.4175.9-61.9145.5000112.2P114 R130 Y154 T155 A161 L162 V285P114-H158 VanDerWaalsContact CB-CE1 3.49Å; P114-H158 WeakPolarHBondContact CB-CE1 3.44Å; R130-H158 VanDerWaalsContact CZ-CD2 3.44Å; R130-H158 PolarHBondContact NH1-CD2 2.71Å; R130-H158 PolarHBondContact NH1-NE2 2.86Å; Y154-H158 HydrophobicContact CD2-CB 3.47Å; Y154-H158 VanDerWaalsContact CD2-CB 3.47Å; Y154-H158 HydrophobicContact CE2-CB 4.19Å; Y154-H158 HydrophobicContact CG-CB 3.69Å; T155-H158 PolarHBondContact N-ND1 3.41Å; T155-H158 PolarHBondContact O-N 3.34Å; T155-H158 VanDerWaalsContact O-N 3.17Å; T155-H158 VanDerWaalsContact OG1-CG 3.27Å; T155-H158 PolarHBondContact OG1-N 2.84Å; T155-H158 PolarHBondContact OG1-ND1 2.92Å; H158-A161 PolarHBondContact O-N 3.17Å; H158-L162 WeakPolarHBondContact O-CB 3.47Å; H158-L162 PolarHBondContact O-N 3.22Å; H158-V285 PolarHBondContact CE1-O 2.88Å; H158-V285 PolarHBondContact NE2-O 3.49Å
159M98.3Very high97.8Very high1 Ų142.1 Ų42.11%0.00524%0.235CC..Hα-helixtrans-63-47.4177.3-74.6-60-63.500111.9V151 Y154 T155 P156 A157 A161 L162 M163 P170 L173 L186 L189 V195V151-M159 HydrophobicContact CG2-SD 3.63Å; Y154-M159 HydrophobicContact CD2-SD 4.42Å; T155-M159 WeakPolarHBondContact O-CG 3.38Å; T155-M159 PolarHBondContact O-N 2.97Å; P156-M159 PolarHBondContact O-N 2.91Å; A157-M159 VanDerWaalsContact C-N 3.33Å; A157-M159 PolarHBondContact O-N 2.79Å; M159-A161 VanDerWaalsContact C-N 3.34Å; M159-A161 PolarHBondContact O-N 3.28Å; M159-L162 PolarHBondContact O-N 2.92Å; M159-M163 VanDerWaalsContact O-CG 3.27Å; M159-M163 WeakPolarHBondContact O-CG 3.45Å; M159-M163 PolarHBondContact O-N 2.9Å; M159-P170 HydrophobicContact CE-CG 4.06Å; M159-L173 HydrophobicContact CG-CD2 4.08Å; M159-L173 HydrophobicContact SD-CB 4.47Å; M159-L173 HydrophobicContact SD-CD1 4.08Å; M159-L173 HydrophobicContact SD-CD2 4.1Å; M159-L173 HydrophobicContact SD-CG 4.44Å; M159-L186 HydrophobicContact CG-CD2 4.38Å; M159-L189 HydrophobicContact CB-CD2 3.54Å; M159-L189 HydrophobicContact CG-CD2 4.26Å; M159-V195 HydrophobicContact CE-CG1 4.32Å; M159-V195 HydrophobicContact CE-CG2 4.13Å
160K97.8Very high97.8Very high94 Ų9442 Ų4241%0.40924%0.235SC..Hα-helixtrans-60.5-43.3177.6-72.9170.1-173.7172.80111.7P156 A157 M163 Q164 L189P156-K160 WeakPolarHBondContact O-CB 3.33Å; P156-K160 VanDerWaalsContact O-CG 3.27Å; P156-K160 WeakPolarHBondContact O-CG 3.49Å; P156-K160 PolarHBondContact O-N 3.25Å; A157-K160 PolarHBondContact O-N 3.49Å; K160-M163 PolarHBondContact O-N 3.31Å; K160-Q164 VanDerWaalsContact O-CG 3.29Å; K160-Q164 WeakPolarHBondContact O-CG 3.22Å; K160-Q164 PolarHBondContact O-N 2.85Å; K160-L189 HydrophobicContact CG-CD1 4.38Å; K160-L189 HydrophobicContact CG-CD2 4.39Å
161A97.3Very high97.8Very high49 Ų4942.1 Ų42.141%0.40524%0.235SC..Hα-helixtrans-62.1-45.1176.800000111.9A157 H158 M159 Q164 S165A157-A161 WeakPolarHBondContact O-CB 3.15Å; A157-A161 PolarHBondContact O-N 2.9Å; H158-A161 PolarHBondContact O-N 3.17Å; M159-A161 VanDerWaalsContact C-N 3.34Å; M159-A161 PolarHBondContact O-N 3.28Å; A161-Q164 PolarHBondContact O-N 3.28Å; A161-S165 PolarHBondContact O-OG 2.97Å
162L98.2Very high97.8Very high12 Ų1242.1 Ų42.16%0.06324%0.235CC..Hα-helixtrans-60.5-48.4177.4175.257.7000111.7W134 V151 Y154 H158 M159 Q164 S165 C166 P170W134-L162 HydrophobicContact CB-CD1 4.1Å; W134-L162 HydrophobicContact CD2-CD1 3.63Å; W134-L162 HydrophobicContact CD2-CD2 4.31Å; W134-L162 HydrophobicContact CE3-CD1 4.35Å; W134-L162 HydrophobicContact CE3-CD2 4.34Å; W134-L162 HydrophobicContact CG-CD1 3.46Å; W134-L162 VanDerWaalsContact CG-CD1 3.46Å; W134-L162 HydrophobicContact CZ3-CD2 4.47Å; V151-L162 HydrophobicContact CG1-CD2 3.7Å; V151-L162 HydrophobicContact CG2-CD2 4.45Å; Y154-L162 HydrophobicContact CE2-CD2 4.27Å; H158-L162 WeakPolarHBondContact O-CB 3.47Å; H158-L162 PolarHBondContact O-N 3.22Å; M159-L162 PolarHBondContact O-N 2.92Å; L162-Q164 PolarHBondContact O-N 3.34Å; L162-S165 PolarHBondContact O-N 2.91Å; L162-S165 PolarHBondContact O-OG 2.86Å; L162-C166 HydrophobicContact CD1-CB 4Å; L162-C166 HydrophobicContact CG-CB 4.48Å; L162-C166 WeakPolarHBondContact O-CB 3.19Å; L162-C166 PolarHBondContact O-N 2.84Å; L162-C166 PolarHBondContact O-SG 2.88Å; L162-C166 VanDerWaalsContact O-SG 3.41Å; L162-P170 HydrophobicContact CD2-CB 4.22Å; L162-P170 HydrophobicContact CD2-CG 3.87Å
163M97.6Very high97.8Very high47 Ų4742.1 Ų42.123%0.23224%0.235CC..Hα-helixtrans-62.6-24.3-178.9-69.3-62.6-61.500113.6M159 K160 P169 P170 F193M159-M163 VanDerWaalsContact O-CG 3.27Å; M159-M163 WeakPolarHBondContact O-CG 3.45Å; M159-M163 PolarHBondContact O-N 2.9Å; K160-M163 PolarHBondContact O-N 3.31Å; M163-P169 HydrophobicContact CE-CB 4.29Å; M163-P169 HydrophobicContact SD-CB 4.37Å; M163-P170 HydrophobicContact SD-CG 4.14Å; M163-F193 HydrophobicContact CB-CE2 4.26Å; M163-F193 HydrophobicContact CB-CZ 4.26Å; M163-F193 HydrophobicContact CE-CB 3.87Å; M163-F193 HydrophobicContact CE-CD1 3.91Å; M163-F193 HydrophobicContact CE-CD2 4.34Å; M163-F193 HydrophobicContact CE-CG 3.8Å; M163-F193 HydrophobicContact CG-CD1 4.41Å; M163-F193 HydrophobicContact CG-CD2 3.58Å; M163-F193 HydrophobicContact CG-CE1 4.43Å; M163-F193 HydrophobicContact CG-CE2 3.57Å; M163-F193 HydrophobicContact CG-CG 4.01Å; M163-F193 HydrophobicContact CG-CZ 4.02Å; M163-F193 HydrophobicContact SD-CB 4.3Å; M163-F193 HydrophobicContact SD-CD2 4.19Å; M163-F193 HydrophobicContact SD-CG 4.2Å
164Q96.3Very high97.8Very high168 Ų16842 Ų4279%0.78524%0.235SC*.Hα-helixtrans-75.8-24.3176-74.3170.8-500113.3K160 A161 L162K160-Q164 VanDerWaalsContact O-CG 3.29Å; K160-Q164 WeakPolarHBondContact O-CG 3.22Å; K160-Q164 PolarHBondContact O-N 2.85Å; A161-Q164 PolarHBondContact O-N 3.28Å; L162-Q164 PolarHBondContact O-N 3.34Å
165S92.8Very high97.8Very high79 Ų7941.9 Ų41.955%0.55224%0.235SC*.Hα-helixtrans-117.4-18.1-172.762.50000115A161 L162A161-S165 PolarHBondContact O-OG 2.97Å; L162-S165 PolarHBondContact O-N 2.91Å; L162-S165 PolarHBondContact O-OG 2.86Å
166C97.3Very high97.8Very high24 Ų2441 Ų4116%0.16223%0.229CC..  trans-70.6143.5-17765.50000112.2W134 E138 L162 V168W134-C166 VanDerWaalsContact NE1-CB 3.3Å; E138-C166 WeakPolarHBondContact OE1-CA 3.22Å; L162-C166 HydrophobicContact CD1-CB 4Å; L162-C166 HydrophobicContact CG-CB 4.48Å; L162-C166 WeakPolarHBondContact O-CB 3.19Å; L162-C166 PolarHBondContact O-N 2.84Å; L162-C166 PolarHBondContact O-SG 2.88Å; L162-C166 VanDerWaalsContact O-SG 3.41Å; C166-V168 WeakPolarHBondContact CB-O 3.33Å
167K98Very high97.9Very high185 Ų18539.9 Ų39.980%0.80422%0.222SC*.SBendtrans-87-35166.2-60.8173-175.8170.80111.1E138E138-K167 WeakPolarHBondContact OE1-CA 3.4Å; E138-K167 PolarHBondContact OE1-N 2.72Å
168V98.3Very high98Very high40 Ų4036.9 Ų36.924%0.24220%0.196CC..SBendtrans-111.4114.7174.8-175.80000107.2W134 E138 I149 C166W134-V168 WeakPolarHBondContact CZ2-O 3.34Å; W134-V168 PolarHBondContact NE1-O 3.25Å; E138-V168 HydrophobicContact CB-CG2 4.38Å; E138-V168 HydrophobicContact CG-CB 4.06Å; E138-V168 HydrophobicContact CG-CG2 4.09Å; E138-V168 PolarHBondContact OE1-N 2.95Å; I149-V168 HydrophobicContact CD1-CB 4.18Å; I149-V168 HydrophobicContact CD1-CG1 4.14Å; I149-V168 HydrophobicContact CG1-CG1 4.24Å; C166-V168 WeakPolarHBondContact CB-O 3.33Å
169P98.3Very high98Very high58 Ų5836.6 Ų36.638%0.37720%0.195SC..  trans-61.1144.4175-23.934.7000111.6M163 A171M163-P169 HydrophobicContact CE-CB 4.29Å; M163-P169 HydrophobicContact SD-CB 4.37Å; P169-A171 PolarHBondContact O-N 2.9Å
170P98.8Very high98Very high0 Ų040 Ų400%021%0.208CC..  trans-61.4136.5175.326.8-34.6000110.8N9 W134 M159 L162 M163 V195N9-P170 PolarHBondContact ND2-O 2.8Å; W134-P170 HydrophobicContact CH2-CB 3.65Å; W134-P170 HydrophobicContact CZ2-CB 4.06Å; W134-P170 HydrophobicContact CZ3-CB 4.49Å; M159-P170 HydrophobicContact CE-CG 4.06Å; L162-P170 HydrophobicContact CD2-CB 4.22Å; L162-P170 HydrophobicContact CD2-CG 3.87Å; M163-P170 HydrophobicContact SD-CG 4.14Å; P170-V195 HydrophobicContact CG-CG2 4.09Å; P170-V195 WeakPolarHBondContact O-CG2 3.39Å
171A98.8Very high98Very high2 Ų236 Ų362%0.01719%0.191CC..SBendtrans-80.4-31177.400000112.9L8 N9 A10 A148 I149 P169 C196L8-A171 HydrophobicContact CB-CB 4.32Å; L8-A171 HydrophobicContact CD1-CB 4.26Å; N9-A171 WeakPolarHBondContact OD1-CA 3.33Å; N9-A171 WeakPolarHBondContact OD1-CB 3.34Å; A10-A171 HydrophobicContact CB-CB 4.25Å; A148-A171 HydrophobicContact CB-CB 3.89Å; I149-A171 PolarHBondContact O-N 2.68Å; P169-A171 PolarHBondContact O-N 2.9Å; A171-C196 WeakPolarHBondContact O-CB 3.37Å; A171-C196 PolarHBondContact O-N 3.17Å
172V98.9Very high98Very high0 Ų034.2 Ų34.20%018%0.175CC..EExtended strand (participates in β ladder)trans-137.4140.4-175.2176.60000110.7L8 M14 L108 L110 G150 V151 Q174 C196 Q198L8-V172 HydrophobicContact CD1-CG2 4.16Å; L8-V172 HydrophobicContact CD2-CG2 3.74Å; M14-V172 HydrophobicContact CE-CG2 4.15Å; M14-V172 HydrophobicContact SD-CG2 4.12Å; L108-V172 HydrophobicContact CD1-CB 4.18Å; L108-V172 HydrophobicContact CD1-CG2 4Å; L108-V172 HydrophobicContact CD2-CB 3.96Å; L108-V172 HydrophobicContact CD2-CG1 4.19Å; L108-V172 HydrophobicContact CD2-CG2 3.65Å; L108-V172 HydrophobicContact CG-CG2 4.49Å; L110-V172 HydrophobicContact CD2-CB 4.25Å; L110-V172 HydrophobicContact CD2-CG1 4.49Å; G150-V172 WeakPolarHBondContact CA-O 3.11Å; V151-V172 PolarHBondContact N-O 3.06Å; V172-Q174 HydrophobicContact CG1-CB 4.37Å; V172-C196 CarbonylContact C-O 3.46Å; V172-C196 VanDerWaalsContact CA-O 3.26Å; V172-C196 WeakPolarHBondContact CA-O 3.46Å; V172-C196 HydrophobicContact CG2-CB 4.12Å; V172-Q198 HydrophobicContact CG1-CB 3.8Å
173L98.9Very high97.9Very high0 Ų034.8 Ų34.80%018%0.178CC..EExtended strand (participates in β ladder)trans-112.4110.4158.9173.561.4000108.6V151 M159 V175 L186 C190 V195 C196 Q198V151-L173 HydrophobicContact CG2-CD1 3.84Å; V151-L173 CarbonylContact O-C 3.59Å; V151-L173 VanDerWaalsContact O-CA 3.31Å; V151-L173 WeakPolarHBondContact O-CA 3.48Å; M159-L173 HydrophobicContact CG-CD2 4.08Å; M159-L173 HydrophobicContact SD-CB 4.47Å; M159-L173 HydrophobicContact SD-CD1 4.08Å; M159-L173 HydrophobicContact SD-CD2 4.1Å; M159-L173 HydrophobicContact SD-CG 4.44Å; L173-V175 HydrophobicContact CD1-CG1 3.75Å; L173-V175 HydrophobicContact CD2-CG1 4.26Å; L173-V175 HydrophobicContact CG-CG1 3.83Å; L173-L186 HydrophobicContact CD2-CB 4.45Å; L173-L186 HydrophobicContact CD2-CD1 4.4Å; L173-L186 HydrophobicContact CD2-CD2 3.81Å; L173-L186 HydrophobicContact CD2-CG 4.47Å; L173-C190 VanDerWaalsContact CD2-SG 3.59Å; L173-V195 HydrophobicContact CB-CG1 4.05Å; L173-C196 PolarHBondContact N-O 3.23Å; L173-Q198 PolarHBondContact O-N 3.46Å
174Q98.9Very high97.9Very high3 Ų336.7 Ų36.71%0.01419%0.194CC..EExtended strand (participates in β ladder)trans-97.9117.4178.2-169-169.7101.100110.9D46 L110 V151 S152 N153 V172 Q198 Y200 L241D46-Q174 PolarHBondContact OD2-NE2 3.41Å; L110-Q174 HydrophobicContact CD1-CB 3.75Å; L110-Q174 HydrophobicContact CD1-CG 4.45Å; V151-Q174 PolarHBondContact O-N 3.24Å; S152-Q174 CarbonylContact C-O 3.54Å; S152-Q174 WeakPolarHBondContact CA-O 3.25Å; S152-Q174 WeakPolarHBondContact CB-O 3.18Å; S152-Q174 PolarHBondContact OG-O 2.88Å; N153-Q174 PolarHBondContact N-O 2.99Å; V172-Q174 HydrophobicContact CG1-CB 4.37Å; Q174-Q198 CarbonylContact C-O 3.48Å; Q174-Q198 WeakPolarHBondContact CA-O 3.46Å; Q174-Q198 HydrophobicContact CB-CB 4.34Å; Q174-Q198 HydrophobicContact CG-CB 4.27Å; Q174-Q198 HydrophobicContact CG-CG 4.05Å; Q174-Y200 HydrophobicContact CG-CD1 4.19Å; Q174-L241 HydrophobicContact CG-CD1 4.39Å
175V98.7Very high97.9Very high3 Ų334.3 Ų34.32%0.01818%0.182CC..EExtended strand (participates in β ladder)trans-139.1165.5-176.4-64.10000112.7L173 F177 L186 F197 Q198 A199 Y200L173-V175 HydrophobicContact CD1-CG1 3.75Å; L173-V175 HydrophobicContact CD2-CG1 4.26Å; L173-V175 HydrophobicContact CG-CG1 3.83Å; V175-F177 PolarHBondContact O-N 3.01Å; V175-L186 HydrophobicContact CG1-CD1 4.39Å; V175-F197 HydrophobicContact CG2-CD2 4.33Å; V175-F197 HydrophobicContact CG2-CE1 3.97Å; V175-F197 HydrophobicContact CG2-CE2 3.39Å; V175-F197 HydrophobicContact CG2-CZ 3.17Å; V175-Q198 PolarHBondContact N-O 2.79Å; V175-A199 WeakPolarHBondContact O-CA 3.45Å; V175-Y200 WeakPolarHBondContact O-CD1 3.36Å; V175-Y200 PolarHBondContact O-N 2.91Å
176E98.6Very high98.2Very high2 Ų231 Ų311%0.00916%0.158CC..EExtended strand (participates in β ladder)trans-62.1126166.6-176.7174.3-152.800109.6H178 L181 Q183 Y200 F278 C279E176-H178 WeakPolarHBondContact CG-NE2 3.29Å; E176-H178 IonicContact OE1-NE2 3.31Å; E176-H178 PolarHBondContact OE1-NE2 3.46Å; E176-L181 HydrophobicContact CB-CD2 4.05Å; E176-L181 HydrophobicContact CG-CD2 3.79Å; E176-Q183 PolarHBondContact O-NE2 3.3Å; E176-Y200 HydrophobicContact CB-CE1 4.4Å; E176-Y200 HydrophobicContact CB-CE2 3.85Å; E176-Y200 HydrophobicContact CG-CE2 4.46Å; E176-Y200 VanDerWaalsContact N-CZ 3.34Å; E176-F278 VanDerWaalsContact OE1-CA 3.31Å; E176-F278 WeakPolarHBondContact OE1-CA 3.27Å; E176-F278 WeakPolarHBondContact OE1-CB 3.5Å; E176-F278 PolarHBondContact OE1-N 3.29Å; E176-C279 PolarHBondContact OE1-N 3.42Å; E176-C279 WeakPolarHBondContact OE2-CB 3.18Å; E176-C279 PolarHBondContact OE2-N 2.91Å; E176-C279 VanDerWaalsContact OE2-N 3.16Å
177F98.6Very high98.2Very high0 Ų033.6 Ų33.60%017%0.165CC..  trans-154.9127.9-179.1176.1-103.3000111.5V175 L181 C182 Q183 F197 A199 Y200 S202 W232 A233 V238V175-F177 PolarHBondContact O-N 3.01Å; F177-L181 WeakPolarHBondContact CD2-O 3.49Å; F177-C182 HydrophobicContact CE2-CB 4.5Å; F177-C182 VanDerWaalsContact CE2-O 3.3Å; F177-C182 WeakPolarHBondContact CE2-O 3.21Å; F177-Q183 HydrophobicContact CD2-CB 4.42Å; F177-Q183 HydrophobicContact CD2-CG 4.34Å; F177-F197 HydrophobicContact CB-CE1 3.9Å; F177-F197 HydrophobicContact CB-CZ 4.26Å; F177-F197 HydrophobicContact CD1-CE1 4.25Å; F177-F197 AromaticContact CD2-CE1 3.75Å; F177-F197 HydrophobicContact CD2-CE1 3.75Å; F177-F197 HydrophobicContact CD2-CZ 4.06Å; F177-F197 HydrophobicContact CE2-CE1 4.29Å; F177-F197 AromaticContact CG-CE1 3.71Å; F177-F197 HydrophobicContact CG-CE1 3.71Å; F177-F197 HydrophobicContact CG-CZ 4.3Å; F177-A199 HydrophobicContact CB-CB 3.79Å; F177-A199 HydrophobicContact CD1-CB 3.77Å; F177-A199 HydrophobicContact CG-CB 4.26Å; F177-Y200 PolarHBondContact N-O 3.23Å; F177-S202 WeakPolarHBondContact O-CA 3.17Å; F177-W232 HydrophobicContact CD1-CH2 4.37Å; F177-W232 AromaticContact CD1-CZ3 3.78Å; F177-W232 HydrophobicContact CD1-CZ3 3.78Å; F177-W232 HydrophobicContact CD2-CH2 4.46Å; F177-W232 HydrophobicContact CE1-CE3 4.01Å; F177-W232 AromaticContact CE1-CH2 3.59Å; F177-W232 HydrophobicContact CE1-CH2 3.59Å; F177-W232 AromaticContact CE1-CZ3 3.16Å; F177-W232 HydrophobicContact CE1-CZ3 3.16Å; F177-W232 AromaticContact CE2-CH2 3.66Å; F177-W232 HydrophobicContact CE2-CH2 3.66Å; F177-W232 HydrophobicContact CE2-CZ3 4.05Å; F177-W232 HydrophobicContact CG-CZ3 4.48Å; F177-W232 HydrophobicContact CZ-CE3 4.37Å; F177-W232 AromaticContact CZ-CH2 3.17Å; F177-W232 HydrophobicContact CZ-CH2 3.17Å; F177-W232 HydrophobicContact CZ-CZ2 4.12Å; F177-W232 AromaticContact CZ-CZ3 3.33Å; F177-W232 HydrophobicContact CZ-CZ3 3.33Å; F177-A233 HydrophobicContact CD1-CB 4.34Å; F177-A233 HydrophobicContact CE1-CB 4.02Å; F177-V238 HydrophobicContact CD1-CG1 3.96Å; F177-V238 HydrophobicContact CE1-CB 4.29Å; F177-V238 HydrophobicContact CE1-CG1 4.02Å; F177-V238 HydrophobicContact CE1-CG2 4.19Å
178H98.6Very high98.2Very high1 Ų128.5 Ų28.51%0.00515%0.153CC..BIsolated β-bridgetrans-169171.4-17947.964.1000108.9E176 R180 L181 S201 L208 Q276 F278E176-H178 WeakPolarHBondContact CG-NE2 3.29Å; E176-H178 IonicContact OE1-NE2 3.31Å; E176-H178 PolarHBondContact OE1-NE2 3.46Å; H178-R180 PolarHBondContact ND1-N 3.24Å; H178-R180 PolarHBondContact O-N 3.47Å; H178-L181 WeakPolarHBondContact CE1-CB 3.44Å; H178-L181 PolarHBondContact N-O 3.32Å; H178-L181 PolarHBondContact ND1-N 3.11Å; H178-L181 CarbonylContact O-C 3.44Å; H178-L181 PolarHBondContact O-N 2.85Å; H178-L181 VanDerWaalsContact O-O 3.06Å; H178-S201 PolarHBondContact CD2-O 2.96Å; H178-L208 HydrophobicContact CB-CD1 3.68Å; H178-Q276 PolarHBondContact CE1-O 2.91Å; H178-Q276 VanDerWaalsContact CE1-O 3.29Å; H178-F278 AromaticContact CE1-CD2 3.68Å; H178-F278 AromaticContact CE1-CE2 3.72Å; H178-F278 AromaticContact NE2-CD2 3.43Å; H178-F278 WeakPolarHBondContact NE2-CD2 3.38Å; H178-F278 AromaticContact NE2-CE2 3.91Å
179P98.5Very high98.2Very high0 Ų027.2 Ų27.20%014%0.144CC..THydrogen-bonded Turntrans-50.3-33.9-176.2-36.341.6000116.3L181 C182 L229 W232 L269 L272 D273P179-L181 VanDerWaalsContact C-N 3.34Å; P179-C182 PolarHBondContact O-SG 2.81Å; P179-L229 VanDerWaalsContact CD-CD2 3.43Å; P179-L229 HydrophobicContact CG-CD2 3.57Å; P179-W232 HydrophobicContact CG-CD2 4.07Å; P179-W232 HydrophobicContact CG-CE3 4.06Å; P179-W232 HydrophobicContact CG-CZ3 4.3Å; P179-L269 WeakPolarHBondContact CB-O 3.37Å; P179-L269 HydrophobicContact CG-CB 4.37Å; P179-L269 HydrophobicContact CG-CD2 4.42Å; P179-L272 HydrophobicContact CB-CB 4.06Å; P179-L272 HydrophobicContact CB-CD1 3.92Å; P179-L272 CarbonylContact O-C 3.55Å; P179-L272 VanDerWaalsContact O-C 3.26Å; P179-D273 VanDerWaalsContact O-CA 3.22Å; P179-D273 WeakPolarHBondContact O-CA 3.11Å; P179-D273 PolarHBondContact O-N 2.99Å
180R98.4Very high98.2Very high74 Ų7424.6 Ų24.628%0.27913%0.127SC..THydrogen-bonded Turntrans-81.8-3.4176.5-65.9-162.7178.5-166.4-2.6116.3H178 L208 D211 L272 C274 G275 Q276H178-R180 PolarHBondContact ND1-N 3.24Å; H178-R180 PolarHBondContact O-N 3.47Å; R180-L208 HydrophobicContact CB-CD2 4.48Å; R180-L208 HydrophobicContact CG-CD2 3.8Å; R180-D211 IonicContact CZ-OD2 2.71Å; R180-D211 IonicContact NE-OD2 2.85Å; R180-D211 PolarHBondContact NE-OD2 2.86Å; R180-D211 IonicContact NH2-OD2 2.84Å; R180-D211 PolarHBondContact NH2-OD2 2.97Å; R180-L272 HydrophobicContact CG-CB 4.43Å; R180-C274 PolarHBondContact O-N 2.94Å; R180-G275 PolarHBondContact O-N 3.43Å; R180-G275 VanDerWaalsContact O-N 3.11Å; R180-Q276 HydrophobicContact CB-CB 4.21Å; R180-Q276 PolarHBondContact O-N 2.68Å
181L98.1Very high98.1Very high9 Ų933.3 Ų33.35%0.04717%0.165CC..BIsolated β-bridgetrans-148.683.3179.6-17370.2000109.6E176 F177 H178 P179 Q183 D273 R277E176-L181 HydrophobicContact CB-CD2 4.05Å; E176-L181 HydrophobicContact CG-CD2 3.79Å; F177-L181 WeakPolarHBondContact CD2-O 3.49Å; H178-L181 WeakPolarHBondContact CE1-CB 3.44Å; H178-L181 PolarHBondContact N-O 3.32Å; H178-L181 PolarHBondContact ND1-N 3.11Å; H178-L181 CarbonylContact O-C 3.44Å; H178-L181 PolarHBondContact O-N 2.85Å; H178-L181 VanDerWaalsContact O-O 3.06Å; P179-L181 VanDerWaalsContact C-N 3.34Å; L181-Q183 HydrophobicContact CG-CG 4.08Å; L181-D273 VanDerWaalsContact CA-OD1 3.26Å; L181-D273 WeakPolarHBondContact CA-OD1 3.46Å; L181-D273 PolarHBondContact N-OD1 2.97Å; L181-R277 HydrophobicContact CD1-CG 4.25Å; L181-R277 HydrophobicContact CD2-CG 3.99Å
182C97.3Very high98.1Very high11 Ų1140 Ų407%0.07420%0.196CC..  trans-85.4-6.5-172-73.90000115F177 P179 R187 D273F177-C182 HydrophobicContact CE2-CB 4.5Å; F177-C182 VanDerWaalsContact CE2-O 3.3Å; F177-C182 WeakPolarHBondContact CE2-O 3.21Å; P179-C182 PolarHBondContact O-SG 2.81Å; C182-R187 VanDerWaalsContact O-CD 3.28Å; C182-R187 WeakPolarHBondContact O-CD 3.46Å; C182-D273 HydrophobicContact CB-CB 4Å; C182-D273 PolarHBondContact N-OD1 3.04Å
183Q96.6Very high98Very high24 Ų2442.5 Ų42.511%0.11221%0.207CC..  trans49.546.3170.8-57.5-87.630.300114.7E176 F177 L181 E185 L186 R187 F197E176-Q183 PolarHBondContact O-NE2 3.3Å; F177-Q183 HydrophobicContact CD2-CB 4.42Å; F177-Q183 HydrophobicContact CD2-CG 4.34Å; L181-Q183 HydrophobicContact CG-CG 4.08Å; Q183-E185 PolarHBondContact O-N 3.2Å; Q183-L186 HydrophobicContact CB-CB 4.4Å; Q183-L186 PolarHBondContact O-N 3.2Å; Q183-R187 WeakPolarHBondContact O-CG 3.36Å; Q183-R187 PolarHBondContact O-N 2.98Å; Q183-F197 HydrophobicContact CB-CE2 4.27Å; Q183-F197 HydrophobicContact CB-CZ 3.84Å; Q183-F197 HydrophobicContact CG-CZ 4.19Å
184P97Very high97.9Very high88 Ų8844.7 Ų44.757%0.57123%0.229SC*.Hα-helixtrans-60.3-40.7-16923.8-34.3000113.6R187 S188P184-R187 PolarHBondContact O-N 3.45Å; P184-S188 WeakPolarHBondContact O-CB 3.48Å; P184-S188 PolarHBondContact O-N 3.06Å
185E97.3Very high97.9Very high117 Ų11745 Ų4555%0.54723%0.231SC..Hα-helixtrans-63.2-49.1178.8-173.1-176.8179.200111.7P156 Q183 R187 S188 L189P156-E185 HydrophobicContact CB-CG 4.3Å; P156-E185 WeakPolarHBondContact CB-OE1 3.36Å; P156-E185 HydrophobicContact CG-CB 4.46Å; P156-E185 VanDerWaalsContact CG-CD 3.42Å; P156-E185 HydrophobicContact CG-CG 3.89Å; Q183-E185 PolarHBondContact O-N 3.2Å; E185-R187 VanDerWaalsContact C-N 3.34Å; E185-R187 PolarHBondContact O-N 2.89Å; E185-S188 PolarHBondContact O-N 3.41Å; E185-L189 WeakPolarHBondContact O-CB 3.23Å; E185-L189 PolarHBondContact O-N 3.03Å
186L97.8Very high97.9Very high9 Ų945.7 Ų45.75%0.04724%0.236CC..Hα-helixtrans-63.2-40.2178.6-80177.2000112P156 M159 L173 V175 Q183 L189 C190 F197P156-L186 HydrophobicContact CB-CD2 4.43Å; P156-L186 HydrophobicContact CG-CD2 3.76Å; P156-L186 HydrophobicContact CG-CG 4.03Å; M159-L186 HydrophobicContact CG-CD2 4.38Å; L173-L186 HydrophobicContact CD2-CB 4.45Å; L173-L186 HydrophobicContact CD2-CD1 4.4Å; L173-L186 HydrophobicContact CD2-CD2 3.81Å; L173-L186 HydrophobicContact CD2-CG 4.47Å; V175-L186 HydrophobicContact CG1-CD1 4.39Å; Q183-L186 HydrophobicContact CB-CB 4.4Å; Q183-L186 PolarHBondContact O-N 3.2Å; L186-L189 PolarHBondContact O-N 3.5Å; L186-C190 WeakPolarHBondContact O-CB 3.34Å; L186-C190 PolarHBondContact O-N 2.87Å; L186-C190 PolarHBondContact O-SG 3.3Å; L186-C190 VanDerWaalsContact O-SG 3.4Å; L186-F197 HydrophobicContact CB-CE2 3.99Å
187R97.8Very high97.9Very high80 Ų8046.3 Ų46.330%0.30224%0.239SC..Hα-helixtrans-63.2-42.3176.2-72.6179.766.2-1636.1111.9C182 Q183 P184 E185 C190 K191 F197C182-R187 VanDerWaalsContact O-CD 3.28Å; C182-R187 WeakPolarHBondContact O-CD 3.46Å; Q183-R187 WeakPolarHBondContact O-CG 3.36Å; Q183-R187 PolarHBondContact O-N 2.98Å; P184-R187 PolarHBondContact O-N 3.45Å; E185-R187 VanDerWaalsContact C-N 3.34Å; E185-R187 PolarHBondContact O-N 2.89Å; R187-C190 PolarHBondContact O-N 3.38Å; R187-K191 PolarHBondContact O-N 2.99Å; R187-F197 HydrophobicContact CG-CD1 4.09Å; R187-F197 HydrophobicContact CG-CD2 3.92Å; R187-F197 HydrophobicContact CG-CE1 3.98Å; R187-F197 HydrophobicContact CG-CE2 3.79Å; R187-F197 HydrophobicContact CG-CG 4.05Å; R187-F197 HydrophobicContact CG-CZ 3.82Å
188S98.1Very high97.9Very high78 Ų7846.4 Ų46.455%0.54524%0.239SC..Hα-helixtrans-61.4-45.8175.4-170.60000111.2P184 E185 K191 E192P184-S188 WeakPolarHBondContact O-CB 3.48Å; P184-S188 PolarHBondContact O-N 3.06Å; E185-S188 PolarHBondContact O-N 3.41Å; S188-K191 WeakPolarHBondContact O-CB 3.39Å; S188-K191 PolarHBondContact O-N 3.24Å; S188-E192 PolarHBondContact O-N 2.98Å
189L98Very high97.9Very high13 Ų1346.3 Ų46.37%0.06824%0.239CC..Hα-helixtrans-64-42.9179.6-167.768.5000112.2P156 M159 K160 E185 L186 K191 E192 F193P156-L189 HydrophobicContact CB-CD2 4.2Å; M159-L189 HydrophobicContact CB-CD2 3.54Å; M159-L189 HydrophobicContact CG-CD2 4.26Å; K160-L189 HydrophobicContact CG-CD1 4.38Å; K160-L189 HydrophobicContact CG-CD2 4.39Å; E185-L189 WeakPolarHBondContact O-CB 3.23Å; E185-L189 PolarHBondContact O-N 3.03Å; L186-L189 PolarHBondContact O-N 3.5Å; L189-K191 VanDerWaalsContact C-N 3.32Å; L189-K191 PolarHBondContact O-N 3.45Å; L189-E192 PolarHBondContact O-N 3.01Å; L189-F193 HydrophobicContact CD1-CD2 4.03Å; L189-F193 HydrophobicContact CD1-CE1 4.44Å; L189-F193 HydrophobicContact CD1-CE2 3.3Å; L189-F193 HydrophobicContact CD1-CZ 3.55Å; L189-F193 HydrophobicContact CD2-CE2 3.95Å; L189-F193 HydrophobicContact CG-CD2 3.77Å; L189-F193 HydrophobicContact CG-CE2 3.4Å; L189-F193 VanDerWaalsContact CG-CE2 3.4Å; L189-F193 HydrophobicContact CG-CZ 4.19Å; L189-F193 WeakPolarHBondContact O-CD2 3.24Å; L189-F193 WeakPolarHBondContact O-CG 3.19Å; L189-F193 PolarHBondContact O-N 2.95Å
190C98.4Very high97.9Very high2 Ų248 Ų481%0.01425%0.246CC..Hα-helixtrans-60-42.5174.3-79.80000111.9L173 L186 R187 F193 G194 V195 F197L173-C190 VanDerWaalsContact CD2-SG 3.59Å; L186-C190 WeakPolarHBondContact O-CB 3.34Å; L186-C190 PolarHBondContact O-N 2.87Å; L186-C190 PolarHBondContact O-SG 3.3Å; L186-C190 VanDerWaalsContact O-SG 3.4Å; R187-C190 PolarHBondContact O-N 3.38Å; C190-F193 PolarHBondContact O-N 3.06Å; C190-G194 PolarHBondContact O-N 2.89Å; C190-V195 HydrophobicContact CB-CB 4.25Å; C190-V195 WeakPolarHBondContact CB-O 3.37Å; C190-V195 PolarHBondContact O-N 3.37Å; C190-F197 HydrophobicContact CB-CB 4.22Å; C190-F197 HydrophobicContact CB-CD2 4.47Å
191K97.6Very high97.9Very high183 Ų18346 Ų4680%0.79624%0.243SC*.Hα-helixtrans-62.8-43.2175.9-175.3179.3178.4-178.60111.9R187 S188 L189 G194R187-K191 PolarHBondContact O-N 2.99Å; S188-K191 WeakPolarHBondContact O-CB 3.39Å; S188-K191 PolarHBondContact O-N 3.24Å; L189-K191 VanDerWaalsContact C-N 3.32Å; L189-K191 PolarHBondContact O-N 3.45Å; K191-G194 PolarHBondContact O-N 3.46Å
192E97.4Very high97.9Very high143 Ų14345.9 Ų45.967%0.66824%0.243SC*.Hα-helixtrans-60.7-43.7177.3-175.6-176.9161.400111.9S188 L189S188-E192 PolarHBondContact O-N 2.98Å; L189-E192 PolarHBondContact O-N 3.01Å
193F97.4Very high97.9Very high52 Ų5247 Ų4723%0.22825%0.248CC..Hα-helixtrans-85.9-1.8-178.6-62.9-30.7000114.7M163 L189 C190 V195M163-F193 HydrophobicContact CB-CE2 4.26Å; M163-F193 HydrophobicContact CB-CZ 4.26Å; M163-F193 HydrophobicContact CE-CB 3.87Å; M163-F193 HydrophobicContact CE-CD1 3.91Å; M163-F193 HydrophobicContact CE-CD2 4.34Å; M163-F193 HydrophobicContact CE-CG 3.8Å; M163-F193 HydrophobicContact CG-CD1 4.41Å; M163-F193 HydrophobicContact CG-CD2 3.58Å; M163-F193 HydrophobicContact CG-CE1 4.43Å; M163-F193 HydrophobicContact CG-CE2 3.57Å; M163-F193 HydrophobicContact CG-CG 4.01Å; M163-F193 HydrophobicContact CG-CZ 4.02Å; M163-F193 HydrophobicContact SD-CB 4.3Å; M163-F193 HydrophobicContact SD-CD2 4.19Å; M163-F193 HydrophobicContact SD-CG 4.2Å; L189-F193 HydrophobicContact CD1-CD2 4.03Å; L189-F193 HydrophobicContact CD1-CE1 4.44Å; L189-F193 HydrophobicContact CD1-CE2 3.3Å; L189-F193 HydrophobicContact CD1-CZ 3.55Å; L189-F193 HydrophobicContact CD2-CE2 3.95Å; L189-F193 HydrophobicContact CG-CD2 3.77Å; L189-F193 HydrophobicContact CG-CE2 3.4Å; L189-F193 VanDerWaalsContact CG-CE2 3.4Å; L189-F193 HydrophobicContact CG-CZ 4.19Å; L189-F193 WeakPolarHBondContact O-CD2 3.24Å; L189-F193 WeakPolarHBondContact O-CG 3.19Å; L189-F193 PolarHBondContact O-N 2.95Å; C190-F193 PolarHBondContact O-N 3.06Å; F193-V195 HydrophobicContact CB-CG2 3.69Å; F193-V195 PolarHBondContact O-N 3.21Å
194G97.7Very high97.8Very high46 Ų4645.9 Ų45.947%0.47424%0.243SC..THydrogen-bonded Turntrans64.528.2-174.200000113.5N9 C190 K191N9-G194 WeakPolarHBondContact CB-O 3.45Å; N9-G194 PolarHBondContact ND2-O 3.42Å; C190-G194 PolarHBondContact O-N 2.89Å; K191-G194 PolarHBondContact O-N 3.46Å
195V98.6Very high97.6Very high9 Ų948.2 Ų48.26%0.05524%0.244CC..PPolyproline II helixtrans-91.1132177.8-178.70000108.7M159 P170 L173 C190 F193 F197M159-V195 HydrophobicContact CE-CG1 4.32Å; M159-V195 HydrophobicContact CE-CG2 4.13Å; P170-V195 HydrophobicContact CG-CG2 4.09Å; P170-V195 WeakPolarHBondContact O-CG2 3.39Å; L173-V195 HydrophobicContact CB-CG1 4.05Å; C190-V195 HydrophobicContact CB-CB 4.25Å; C190-V195 WeakPolarHBondContact CB-O 3.37Å; C190-V195 PolarHBondContact O-N 3.37Å; F193-V195 HydrophobicContact CB-CG2 3.69Å; F193-V195 PolarHBondContact O-N 3.21Å; V195-F197 PolarHBondContact O-N 2.81Å
196C98.7Very high97.5Very high18 Ų1844.1 Ų44.112%0.12223%0.233CC..EExtended strand (participates in β ladder)trans-71.8124.7174.7175.10000110.6L8 A171 V172 L173L8-C196 HydrophobicContact CD2-CB 3.45Å; L8-C196 VanDerWaalsContact CD2-CB 3.45Å; A171-C196 WeakPolarHBondContact O-CB 3.37Å; A171-C196 PolarHBondContact O-N 3.17Å; V172-C196 CarbonylContact C-O 3.46Å; V172-C196 VanDerWaalsContact CA-O 3.26Å; V172-C196 WeakPolarHBondContact CA-O 3.46Å; V172-C196 HydrophobicContact CG2-CB 4.12Å; L173-C196 PolarHBondContact N-O 3.23Å
197F98.8Very high97.4Very high16 Ų1649.3 Ų49.37%0.0726%0.257CS..EExtended strand (participates in β ladder)trans-87.8120174.8-173.2-85.9000109.9V175 F177 Q183 L186 R187 C190 V195 V238 P239V175-F197 HydrophobicContact CG2-CD2 4.33Å; V175-F197 HydrophobicContact CG2-CE1 3.97Å; V175-F197 HydrophobicContact CG2-CE2 3.39Å; V175-F197 HydrophobicContact CG2-CZ 3.17Å; F177-F197 HydrophobicContact CB-CE1 3.9Å; F177-F197 HydrophobicContact CB-CZ 4.26Å; F177-F197 HydrophobicContact CD1-CE1 4.25Å; F177-F197 AromaticContact CD2-CE1 3.75Å; F177-F197 HydrophobicContact CD2-CE1 3.75Å; F177-F197 HydrophobicContact CD2-CZ 4.06Å; F177-F197 HydrophobicContact CE2-CE1 4.29Å; F177-F197 AromaticContact CG-CE1 3.71Å; F177-F197 HydrophobicContact CG-CE1 3.71Å; F177-F197 HydrophobicContact CG-CZ 4.3Å; Q183-F197 HydrophobicContact CB-CE2 4.27Å; Q183-F197 HydrophobicContact CB-CZ 3.84Å; Q183-F197 HydrophobicContact CG-CZ 4.19Å; L186-F197 HydrophobicContact CB-CE2 3.99Å; R187-F197 HydrophobicContact CG-CD1 4.09Å; R187-F197 HydrophobicContact CG-CD2 3.92Å; R187-F197 HydrophobicContact CG-CE1 3.98Å; R187-F197 HydrophobicContact CG-CE2 3.79Å; R187-F197 HydrophobicContact CG-CG 4.05Å; R187-F197 HydrophobicContact CG-CZ 3.82Å; C190-F197 HydrophobicContact CB-CB 4.22Å; C190-F197 HydrophobicContact CB-CD2 4.47Å; V195-F197 PolarHBondContact O-N 2.81Å; F197-V238 HydrophobicContact CD1-CG1 3.91Å; F197-V238 HydrophobicContact CD1-CG2 4.16Å; F197-V238 HydrophobicContact CE1-CG1 4.35Å; F197-P239 VanDerWaalsContact O-CD 3.23Å; F197-P239 WeakPolarHBondContact O-CD 3.13Å
198Q98.9Very high97.4Very high1 Ų145.6 Ų45.61%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-118.8139.7-177.9179.4178.255.100111.2V172 L173 Q174 V175 P239 L241V172-Q198 HydrophobicContact CG1-CB 3.8Å; L173-Q198 PolarHBondContact O-N 3.46Å; Q174-Q198 CarbonylContact C-O 3.48Å; Q174-Q198 WeakPolarHBondContact CA-O 3.46Å; Q174-Q198 HydrophobicContact CB-CB 4.34Å; Q174-Q198 HydrophobicContact CG-CB 4.27Å; Q174-Q198 HydrophobicContact CG-CG 4.05Å; V175-Q198 PolarHBondContact N-O 2.79Å; Q198-P239 HydrophobicContact CG-CB 4.12Å; Q198-L241 HydrophobicContact CG-CD1 4.22Å
199A98.6Very high97.4Very high0 Ų044.7 Ų44.70%023%0.232CC..EExtended strand (participates in β ladder)trans-99.6134.7-177.900000112.6V175 F177 V238 P239 V240 L241V175-A199 WeakPolarHBondContact O-CA 3.45Å; F177-A199 HydrophobicContact CB-CB 3.79Å; F177-A199 HydrophobicContact CD1-CB 3.77Å; F177-A199 HydrophobicContact CG-CB 4.26Å; A199-V238 HydrophobicContact CB-CG1 3.74Å; A199-P239 PolarHBondContact N-O 3.42Å; A199-V240 HydrophobicContact CB-CG1 4.25Å; A199-L241 PolarHBondContact O-N 3.21Å
200Y98.4Very high97.4Very high34 Ų3449 Ų4913%0.13326%0.259CS..EExtended strand (participates in β ladder)trans-115.4168.5156.677.6-102.4000110.3N153 Q174 V175 E176 F177 S202 C279N153-Y200 VanDerWaalsContact OD1-CE1 3.22Å; N153-Y200 WeakPolarHBondContact OD1-CE1 3.37Å; N153-Y200 PolarHBondContact OD1-OH 2.67Å; Q174-Y200 HydrophobicContact CG-CD1 4.19Å; V175-Y200 WeakPolarHBondContact O-CD1 3.36Å; V175-Y200 PolarHBondContact O-N 2.91Å; E176-Y200 HydrophobicContact CB-CE1 4.4Å; E176-Y200 HydrophobicContact CB-CE2 3.85Å; E176-Y200 HydrophobicContact CG-CE2 4.46Å; E176-Y200 VanDerWaalsContact N-CZ 3.34Å; F177-Y200 PolarHBondContact N-O 3.23Å; Y200-S202 PolarHBondContact O-N 3.49Å; Y200-C279 HydrophobicContact CE2-CB 4.29Å
201S97.3Very high97.4Very high33 Ų3349.4 Ų49.423%0.23126%0.261CS..  trans56.630.3179.6-77.40000114.1H178 L203 G204H178-S201 PolarHBondContact CD2-O 2.96Å; S201-L203 PolarHBondContact O-N 2.47Å; S201-G204 PolarHBondContact O-N 2.84Å
202S97.6Very high97.4Very high6 Ų645.5 Ų45.54%0.04225%0.254CS..THydrogen-bonded Turntrans-57.2-19.3-177.1-48.40000114.7F177 Y200F177-S202 WeakPolarHBondContact O-CA 3.17Å; Y200-S202 PolarHBondContact O-N 3.49Å
203L97.4Very high97.4Very high35 Ų3540.4 Ų40.418%0.18323%0.233CC..THydrogen-bonded Turntrans-94.75.4177.4-51.5-173.3000113.9S201 K205 G206 L208 L209 A226 L229 L230S201-L203 PolarHBondContact O-N 2.47Å; L203-K205 VanDerWaalsContact C-N 3.31Å; L203-K205 PolarHBondContact O-N 3.02Å; L203-G206 WeakPolarHBondContact O-CA 3.48Å; L203-G206 PolarHBondContact O-N 2.84Å; L203-L208 PolarHBondContact O-N 3.47Å; L203-L209 HydrophobicContact CD2-CD2 4.37Å; L203-A226 HydrophobicContact CD1-CB 4.24Å; L203-A226 HydrophobicContact CD2-CB 4.12Å; L203-L229 HydrophobicContact CD2-CB 3.73Å; L203-L229 HydrophobicContact CD2-CD1 3.84Å; L203-L229 HydrophobicContact CD2-CG 4.43Å; L203-L230 HydrophobicContact CD2-CD2 4.47Å; L203-L230 HydrophobicContact CD2-CG 4.35Å
204G95.5Very high97.5Very high0 Ų037.9 Ų37.90%022%0.222CC..G310 helixtrans54.745-175.600000112.7S201 G206 E207S201-G204 PolarHBondContact O-N 2.84Å; G204-G206 PolarHBondContact O-N 3.01Å; G204-E207 WeakPolarHBondContact O-CB 3.47Å; G204-E207 PolarHBondContact O-N 3.38Å
205K92.5Very high97.6Very high138 Ų13839.6 Ų39.660%0.622%0.219SC*.G310 helixtrans54.420.3-172-61.9179.7175.5171.90115.1L203 F278L203-K205 VanDerWaalsContact C-N 3.31Å; L203-K205 PolarHBondContact O-N 3.02Å; K205-F278 HydrophobicContact CD-CB 4.21Å; K205-F278 WeakPolarHBondContact CE-O 3.42Å; K205-F278 HydrophobicContact CG-CB 4.25Å; K205-F278 PolarHBondContact NZ-O 3.1Å
206G94.9Very high97.5Very high30 Ų3043.4 Ų43.431%0.30924%0.237SC..G310 helixtrans100.3-13.5-178.500000113.9L203 G204 L208 L209L203-G206 WeakPolarHBondContact O-CA 3.48Å; L203-G206 PolarHBondContact O-N 2.84Å; G204-G206 PolarHBondContact O-N 3.01Å; G206-L208 VanDerWaalsContact C-N 3.3Å; G206-L208 PolarHBondContact O-N 3.17Å; G206-L209 WeakPolarHBondContact O-CB 3.48Å; G206-L209 WeakPolarHBondContact O-CG 3.13Å; G206-L209 PolarHBondContact O-N 3.16Å
207E96.3Very high97.5Very high119 Ų11942.6 Ų42.656%0.55623%0.231SC*.G310 helixtrans-69.3-28.6-177.5-63-173.3-13300112.6G204 L209 T210 F278G204-E207 WeakPolarHBondContact O-CB 3.47Å; G204-E207 PolarHBondContact O-N 3.38Å; E207-L209 PolarHBondContact O-N 3.27Å; E207-T210 PolarHBondContact O-OG1 2.9Å; E207-F278 HydrophobicContact CB-CD1 4.35Å; E207-F278 HydrophobicContact CB-CE1 3.68Å; E207-F278 HydrophobicContact CB-CZ 4.18Å; E207-F278 HydrophobicContact CG-CD1 4.38Å; E207-F278 HydrophobicContact CG-CE1 4.1Å; E207-F278 WeakPolarHBondContact OE2-CE1 3.47Å
208L97.5Very high97.5Very high2 Ų242.1 Ų42.11%0.0123%0.23CC..G310 helixtrans-75.5-12.2177.7-65.4179.3000113.4H178 R180 L203 G206 T210 D211 I214 L229 F278H178-L208 HydrophobicContact CB-CD1 3.68Å; R180-L208 HydrophobicContact CB-CD2 4.48Å; R180-L208 HydrophobicContact CG-CD2 3.8Å; L203-L208 PolarHBondContact O-N 3.47Å; G206-L208 VanDerWaalsContact C-N 3.3Å; G206-L208 PolarHBondContact O-N 3.17Å; L208-T210 PolarHBondContact O-N 3.38Å; L208-D211 PolarHBondContact O-N 3.48Å; L208-I214 HydrophobicContact CB-CD1 3.8Å; L208-I214 HydrophobicContact CD2-CD1 4.34Å; L208-I214 VanDerWaalsContact O-CD1 3.25Å; L208-I214 WeakPolarHBondContact O-CD1 3.16Å; L208-L229 HydrophobicContact CB-CD1 3.86Å; L208-L229 HydrophobicContact CB-CD2 4.42Å; L208-L229 HydrophobicContact CD1-CD2 4.26Å; L208-F278 HydrophobicContact CD1-CE2 4.16Å; L208-F278 HydrophobicContact CD2-CE2 4.01Å; L208-F278 HydrophobicContact CD2-CZ 3.95Å; L208-F278 HydrophobicContact CG-CE2 3.96Å; L208-F278 HydrophobicContact CG-CZ 4.13Å
209L97.6Very high97.5Very high58 Ų5850.2 Ų50.230%0.30427%0.265SS..G310 helixtrans-68.6-17-178.2-60.4176.3000112.9L203 G206 E207 P225 A226 L229L203-L209 HydrophobicContact CD2-CD2 4.37Å; G206-L209 WeakPolarHBondContact O-CB 3.48Å; G206-L209 WeakPolarHBondContact O-CG 3.13Å; G206-L209 PolarHBondContact O-N 3.16Å; E207-L209 PolarHBondContact O-N 3.27Å; L209-P225 HydrophobicContact CB-CB 4.43Å; L209-P225 HydrophobicContact CD2-CB 4.03Å; L209-A226 HydrophobicContact CD2-CB 3.91Å; L209-L229 HydrophobicContact CD2-CD1 4.08Å
210T97.8Very high97.4Very high105 Ų10554.3 Ų54.364%0.64429%0.287SS*.G310 helixtrans-111.96.3-179.655.10000113.3E207 L208E207-T210 PolarHBondContact O-OG1 2.9Å; L208-T210 PolarHBondContact O-N 3.38Å
211D98.3Very high97.3Very high10 Ų1053.9 Ų53.95%0.05329%0.29CS..  trans-64130.7176-175.4-74.3000110.4R180 L208 V213 I214 L215R180-D211 IonicContact CZ-OD2 2.71Å; R180-D211 IonicContact NE-OD2 2.85Å; R180-D211 PolarHBondContact NE-OD2 2.86Å; R180-D211 IonicContact NH2-OD2 2.84Å; R180-D211 PolarHBondContact NH2-OD2 2.97Å; L208-D211 PolarHBondContact O-N 3.48Å; D211-V213 VanDerWaalsContact C-N 3.31Å; D211-V213 PolarHBondContact O-N 3.35Å; D211-V213 WeakPolarHBondContact OD1-CB 3.49Å; D211-V213 PolarHBondContact OD1-N 3.24Å; D211-I214 HydrophobicContact CB-CB 4.07Å; D211-I214 HydrophobicContact CB-CD1 3.69Å; D211-I214 HydrophobicContact CB-CG1 3.93Å; D211-I214 PolarHBondContact O-N 3.41Å; D211-I214 PolarHBondContact OD1-N 3Å; D211-L215 WeakPolarHBondContact O-CG 3.49Å; D211-L215 PolarHBondContact O-N 3.32Å
212P98.3Very high97.3Very high100 Ų10061.4 Ų61.465%0.64932%0.318SS*.Hα-helixtrans-57.7-37.9-176.1-26.835000114.5E216P212-E216 WeakPolarHBondContact O-CB 2.93Å; P212-E216 PolarHBondContact O-N 3.36Å
213V98.4Very high97.3Very high36 Ų3663.9 Ų63.922%0.21833%0.326CS..Hα-helixtrans-71.3-41.7-179.6175.70000109.9D211 L215 E216 V217 R268 L272D211-V213 VanDerWaalsContact C-N 3.31Å; D211-V213 PolarHBondContact O-N 3.35Å; D211-V213 WeakPolarHBondContact OD1-CB 3.49Å; D211-V213 PolarHBondContact OD1-N 3.24Å; V213-L215 VanDerWaalsContact C-N 3.34Å; V213-L215 PolarHBondContact O-N 3.06Å; V213-E216 PolarHBondContact O-N 2.94Å; V213-V217 WeakPolarHBondContact O-CG2 3.09Å; V213-V217 PolarHBondContact O-N 3.49Å; V213-R268 HydrophobicContact CG1-CB 4.32Å; V213-L272 HydrophobicContact CB-CD1 4.12Å; V213-L272 HydrophobicContact CB-CD2 3.99Å; V213-L272 HydrophobicContact CB-CG 4.5Å; V213-L272 HydrophobicContact CG1-CD1 4.14Å; V213-L272 HydrophobicContact CG1-CD2 4.24Å; V213-L272 HydrophobicContact CG1-CG 4.37Å; V213-L272 HydrophobicContact CG2-CD2 3.92Å
214I98.6Very high97.3Very high0 Ų064.3 Ų64.30%033%0.331CS..Hα-helixtrans-63.7-42.1177-62.1172.5000110.6L208 D211 E216 V217 A218 P225 V228 L229 L269 L272L208-I214 HydrophobicContact CB-CD1 3.8Å; L208-I214 HydrophobicContact CD2-CD1 4.34Å; L208-I214 VanDerWaalsContact O-CD1 3.25Å; L208-I214 WeakPolarHBondContact O-CD1 3.16Å; D211-I214 HydrophobicContact CB-CB 4.07Å; D211-I214 HydrophobicContact CB-CD1 3.69Å; D211-I214 HydrophobicContact CB-CG1 3.93Å; D211-I214 PolarHBondContact O-N 3.41Å; D211-I214 PolarHBondContact OD1-N 3Å; I214-E216 VanDerWaalsContact C-N 3.33Å; I214-E216 PolarHBondContact O-N 3.15Å; I214-V217 PolarHBondContact O-N 3.11Å; I214-A218 VanDerWaalsContact O-CB 3.25Å; I214-A218 WeakPolarHBondContact O-CB 3.21Å; I214-A218 PolarHBondContact O-N 2.7Å; I214-P225 HydrophobicContact CG2-CB 3.89Å; I214-V228 HydrophobicContact CG2-CG1 4.46Å; I214-L229 HydrophobicContact CD1-CD1 4.25Å; I214-L229 HydrophobicContact CD1-CD2 3.6Å; I214-L229 HydrophobicContact CD1-CG 4.2Å; I214-L229 HydrophobicContact CG1-CD2 4.38Å; I214-L229 HydrophobicContact CG2-CD1 4.26Å; I214-L229 HydrophobicContact CG2-CG 4.12Å; I214-L269 HydrophobicContact CG1-CD2 3.81Å; I214-L272 HydrophobicContact CD1-CD1 4.39Å; I214-L272 HydrophobicContact CG1-CD1 4.06Å
215L98.7Very high97.5Very high81 Ų8165.7 Ų65.742%0.42434%0.339SS..Hα-helixtrans-62-40175.9-73.7170000112.3D211 V213 A218 K219 P225D211-L215 WeakPolarHBondContact O-CG 3.49Å; D211-L215 PolarHBondContact O-N 3.32Å; V213-L215 VanDerWaalsContact C-N 3.34Å; V213-L215 PolarHBondContact O-N 3.06Å; L215-A218 PolarHBondContact O-N 3.25Å; L215-K219 PolarHBondContact O-N 3.4Å; L215-P225 HydrophobicContact CD2-CG 3.76Å
216E98.4Very high97.7Very high90 Ų9059.7 Ų59.742%0.42132%0.316SS..Hα-helixtrans-67.1-45.4177.8-163.1-171.5139.800111.6P212 V213 I214 A218 K219 N220 R268P212-E216 WeakPolarHBondContact O-CB 2.93Å; P212-E216 PolarHBondContact O-N 3.36Å; V213-E216 PolarHBondContact O-N 2.94Å; I214-E216 VanDerWaalsContact C-N 3.33Å; I214-E216 PolarHBondContact O-N 3.15Å; E216-A218 VanDerWaalsContact C-N 3.29Å; E216-A218 PolarHBondContact O-N 3.01Å; E216-K219 WeakPolarHBondContact O-CB 3.4Å; E216-K219 PolarHBondContact O-N 2.94Å; E216-K219 VanDerWaalsContact O-N 3.15Å; E216-N220 PolarHBondContact O-N 3.13Å; E216-N220 PolarHBondContact O-OD1 2.9Å; E216-R268 IonicContact OE1-CZ 2.82Å; E216-R268 IonicContact OE1-NH1 2.74Å; E216-R268 PolarHBondContact OE1-NH1 2.96Å; E216-R268 IonicContact OE1-NH2 3.76Å; E216-R268 PolarHBondContact OE1-NH2 3.43Å; E216-R268 VanDerWaalsContact OE1-NH2 3.13Å; E216-R268 IonicContact OE2-CZ 3.13Å; E216-R268 IonicContact OE2-NH1 2.73Å; E216-R268 IonicContact OE2-NH2 3.23Å; E216-R268 PolarHBondContact OE2-NH2 2.94Å
217V98.6Very high97.9Very high0 Ų058.6 Ų58.60%030%0.303CS..Hα-helixtrans-62.8-38.3175.6174.80000111.2V213 I214 K219 N220 S221 V228 L261 D265 L269V213-V217 WeakPolarHBondContact O-CG2 3.09Å; V213-V217 PolarHBondContact O-N 3.49Å; I214-V217 PolarHBondContact O-N 3.11Å; V217-K219 VanDerWaalsContact C-N 3.32Å; V217-K219 PolarHBondContact O-N 3.42Å; V217-N220 PolarHBondContact O-N 3.3Å; V217-S221 WeakPolarHBondContact O-CB 3.38Å; V217-S221 PolarHBondContact O-N 3.39Å; V217-S221 PolarHBondContact O-OG 3.35Å; V217-V228 HydrophobicContact CB-CG1 4.17Å; V217-V228 HydrophobicContact CG1-CG1 3.61Å; V217-V228 HydrophobicContact CG1-CG2 4.23Å; V217-L261 HydrophobicContact CG1-CD2 3.74Å; V217-D265 HydrophobicContact CG1-CB 3.78Å; V217-D265 HydrophobicContact CG2-CB 4.13Å; V217-L269 HydrophobicContact CG1-CD1 4.2Å; V217-L269 HydrophobicContact CG2-CD2 4.36Å; V217-L269 HydrophobicContact CG2-CG 4.31Å
218A98.4Very high98Very high6 Ų653 Ų535%0.0528%0.276CS..Hα-helixtrans-60.4-41.9174.400000111.9I214 L215 E216 S221 K222 R223 P225 V228I214-A218 VanDerWaalsContact O-CB 3.25Å; I214-A218 WeakPolarHBondContact O-CB 3.21Å; I214-A218 PolarHBondContact O-N 2.7Å; L215-A218 PolarHBondContact O-N 3.25Å; E216-A218 VanDerWaalsContact C-N 3.29Å; E216-A218 PolarHBondContact O-N 3.01Å; A218-S221 PolarHBondContact O-OG 3.43Å; A218-K222 WeakPolarHBondContact O-CA 3.29Å; A218-K222 PolarHBondContact O-N 2.91Å; A218-R223 CarbonylContact C-O 3.22Å; A218-R223 WeakPolarHBondContact CB-O 3.41Å; A218-R223 PolarHBondContact O-N 3.41Å; A218-P225 HydrophobicContact CB-CG 4.16Å; A218-V228 HydrophobicContact CB-CG2 3.85Å
219K97.9Very high98.1Very high171 Ų17152.9 Ų52.974%0.74328%0.276SS*.Hα-helixtrans-63.7-45.6174.1-175.5-177.8176.1-174.70111.8L215 E216 V217 S221 K222L215-K219 PolarHBondContact O-N 3.4Å; E216-K219 WeakPolarHBondContact O-CB 3.4Å; E216-K219 PolarHBondContact O-N 2.94Å; E216-K219 VanDerWaalsContact O-N 3.15Å; V217-K219 VanDerWaalsContact C-N 3.32Å; V217-K219 PolarHBondContact O-N 3.42Å; K219-S221 VanDerWaalsContact C-N 3.34Å; K219-S221 PolarHBondContact O-N 3.31Å; K219-K222 PolarHBondContact O-N 2.85Å
220N96.4Very high98.1Very high86 Ų8650.1 Ų50.146%0.4626%0.262SS..Hα-helixtrans-61.2-42.3179.3-67-12.4000112.1E216 V217 K222E216-N220 PolarHBondContact O-N 3.13Å; E216-N220 PolarHBondContact O-OD1 2.9Å; V217-N220 PolarHBondContact O-N 3.3Å; N220-K222 VanDerWaalsContact C-N 3.34Å
221S96.3Very high98.2Very high26 Ų2646.9 Ų46.918%0.18224%0.237CC..Hα-helixtrans-83.6-6.8-179.455.30000114.1V217 A218 K219 R223V217-S221 WeakPolarHBondContact O-CB 3.38Å; V217-S221 PolarHBondContact O-N 3.39Å; V217-S221 PolarHBondContact O-OG 3.35Å; A218-S221 PolarHBondContact O-OG 3.43Å; K219-S221 VanDerWaalsContact C-N 3.34Å; K219-S221 PolarHBondContact O-N 3.31Å; S221-R223 WeakPolarHBondContact O-CG 2.95Å; S221-R223 PolarHBondContact O-N 3Å
222K97.3Very high98.2Very high190 Ų19046.4 Ų46.483%0.82624%0.235SC*.THydrogen-bonded Turntrans55.139.9-172.7-56.4177.2-178174.70112.4A218 K219 N220A218-K222 WeakPolarHBondContact O-CA 3.29Å; A218-K222 PolarHBondContact O-N 2.91Å; K219-K222 PolarHBondContact O-N 2.85Å; N220-K222 VanDerWaalsContact C-N 3.34Å
223R97.9Very high98.2Very high58 Ų5841.7 Ų41.722%0.21920%0.204CC..SBendtrans-125.6170.5-178.8-65.3-67.1175169.5-2.7110.5A218 S221 Q227 V228 D258 F259A218-R223 CarbonylContact C-O 3.22Å; A218-R223 WeakPolarHBondContact CB-O 3.41Å; A218-R223 PolarHBondContact O-N 3.41Å; S221-R223 WeakPolarHBondContact O-CG 2.95Å; S221-R223 PolarHBondContact O-N 3Å; R223-Q227 HydrophobicContact CB-CB 4.06Å; R223-V228 HydrophobicContact CB-CG2 4.37Å; R223-D258 IonicContact CZ-OD1 2.76Å; R223-D258 VanDerWaalsContact CZ-OD1 3.31Å; R223-D258 IonicContact CZ-OD2 3.66Å; R223-D258 VanDerWaalsContact CZ-OD2 3.23Å; R223-D258 IonicContact NH1-OD1 3.23Å; R223-D258 PolarHBondContact NH1-OD1 3.4Å; R223-D258 VanDerWaalsContact NH1-OD1 3.1Å; R223-D258 IonicContact NH1-OD2 2.84Å; R223-D258 PolarHBondContact NH1-OD2 2.99Å; R223-D258 IonicContact NH2-OD1 3.38Å; R223-D258 PolarHBondContact NH2-OD1 3.5Å; R223-D258 IonicContact NH2-OD2 3.93Å; R223-D258 PolarHBondContact NH2-OD2 3.32Å; R223-F259 HydrophobicContact CB-CE1 4.49Å; R223-F259 HydrophobicContact CB-CE2 4.36Å; R223-F259 HydrophobicContact CB-CZ 4.13Å; R223-F259 HydrophobicContact CG-CD1 3.89Å; R223-F259 HydrophobicContact CG-CD2 3.88Å; R223-F259 HydrophobicContact CG-CE1 3.71Å; R223-F259 HydrophobicContact CG-CE2 3.72Å; R223-F259 HydrophobicContact CG-CG 3.96Å; R223-F259 HydrophobicContact CG-CZ 3.63Å; R223-F259 VanDerWaalsContact NE-CD1 3.27Å
224T98.2Very high98.2Very high45 Ų4540.4 Ų40.428%0.27620%0.197SC..  trans-78.5155.9172.664.70000111.1A226 Q227 V228T224-A226 PolarHBondContact O-N 3.08Å; T224-Q227 PolarHBondContact O-N 3.33Å; T224-Q227 VanDerWaalsContact O-N 3.08Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.45Å; T224-Q227 PolarHBondContact OG1-N 2.86Å; T224-Q227 PolarHBondContact OG1-OE1 3.38Å; T224-V228 PolarHBondContact O-N 2.95Å
225P98.4Very high98.2Very high28 Ų2843.3 Ų43.318%0.18221%0.21CC..Hα-helixtrans-53.8-37.5173-30.438.5000113.3L209 I214 L215 A218 V228 L229L209-P225 HydrophobicContact CB-CB 4.43Å; L209-P225 HydrophobicContact CD2-CB 4.03Å; I214-P225 HydrophobicContact CG2-CB 3.89Å; L215-P225 HydrophobicContact CD2-CG 3.76Å; A218-P225 HydrophobicContact CB-CG 4.16Å; P225-V228 PolarHBondContact O-N 3.06Å; P225-L229 WeakPolarHBondContact O-CD1 3.46Å; P225-L229 WeakPolarHBondContact O-CG 3.42Å; P225-L229 PolarHBondContact O-N 3.44Å
226A98.3Very high98.1Very high13 Ų1342.2 Ų42.211%0.10720%0.203CC..Hα-helixtrans-63.6-46.2176.300000111.9L203 L209 T224 V228 L229 L230L203-A226 HydrophobicContact CD1-CB 4.24Å; L203-A226 HydrophobicContact CD2-CB 4.12Å; L209-A226 HydrophobicContact CD2-CB 3.91Å; T224-A226 PolarHBondContact O-N 3.08Å; A226-V228 VanDerWaalsContact C-N 3.34Å; A226-V228 PolarHBondContact O-N 3.26Å; A226-L229 PolarHBondContact O-N 3.36Å; A226-L230 VanDerWaalsContact O-CG 3.25Å; A226-L230 WeakPolarHBondContact O-CG 3.46Å; A226-L230 PolarHBondContact O-N 3.1Å
227Q98.6Very high98Very high7 Ų739.7 Ų39.73%0.03320%0.201CC..Hα-helixtrans-62.3-39.9176.1-76.8164.4-34.700111.9R223 T224 L230 R231 R252 E255 V256 F259R223-Q227 HydrophobicContact CB-CB 4.06Å; T224-Q227 PolarHBondContact O-N 3.33Å; T224-Q227 VanDerWaalsContact O-N 3.08Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.45Å; T224-Q227 PolarHBondContact OG1-N 2.86Å; T224-Q227 PolarHBondContact OG1-OE1 3.38Å; Q227-L230 PolarHBondContact O-N 3.39Å; Q227-R231 WeakPolarHBondContact O-CB 3.34Å; Q227-R231 PolarHBondContact O-N 3.03Å; Q227-R252 WeakPolarHBondContact CG-O 3.39Å; Q227-R252 PolarHBondContact NE2-O 3.49Å; Q227-E255 PolarHBondContact NE2-O 2.93Å; Q227-E255 PolarHBondContact NE2-OE2 3.36Å; Q227-V256 HydrophobicContact CB-CG1 4.27Å; Q227-V256 HydrophobicContact CG-CG1 4.13Å; Q227-F259 HydrophobicContact CB-CE1 4.24Å; Q227-F259 HydrophobicContact CB-CZ 4.17Å
228V98.8Very high98Very high0 Ų040 Ų400%020%0.203CC..Hα-helixtrans-60.2-47.9175.2170.20000111.2I214 V217 A218 R223 T224 P225 A226 L230 R231 W232 L261 L269I214-V228 HydrophobicContact CG2-CG1 4.46Å; V217-V228 HydrophobicContact CB-CG1 4.17Å; V217-V228 HydrophobicContact CG1-CG1 3.61Å; V217-V228 HydrophobicContact CG1-CG2 4.23Å; A218-V228 HydrophobicContact CB-CG2 3.85Å; R223-V228 HydrophobicContact CB-CG2 4.37Å; T224-V228 PolarHBondContact O-N 2.95Å; P225-V228 PolarHBondContact O-N 3.06Å; A226-V228 VanDerWaalsContact C-N 3.34Å; A226-V228 PolarHBondContact O-N 3.26Å; V228-L230 PolarHBondContact O-N 2.91Å; V228-R231 PolarHBondContact O-N 3.4Å; V228-W232 VanDerWaalsContact O-CB 3.32Å; V228-W232 WeakPolarHBondContact O-CB 3.49Å; V228-W232 PolarHBondContact O-N 3.1Å; V228-L261 HydrophobicContact CG1-CD1 4.28Å; V228-L261 HydrophobicContact CG1-CD2 4.31Å; V228-L261 HydrophobicContact CG2-CD2 4.37Å; V228-L269 HydrophobicContact CG1-CD1 3.73Å; V228-L269 HydrophobicContact CG1-CD2 4.3Å
229L98.8Very high98Very high1 Ų139.7 Ų39.71%0.00520%0.2CC..Hα-helixtrans-62.9-43.3-179.3-75.2162.5000112.5P179 L203 L208 L209 I214 P225 A226P179-L229 VanDerWaalsContact CD-CD2 3.43Å; P179-L229 HydrophobicContact CG-CD2 3.57Å; L203-L229 HydrophobicContact CD2-CB 3.73Å; L203-L229 HydrophobicContact CD2-CD1 3.84Å; L203-L229 HydrophobicContact CD2-CG 4.43Å; L208-L229 HydrophobicContact CB-CD1 3.86Å; L208-L229 HydrophobicContact CB-CD2 4.42Å; L208-L229 HydrophobicContact CD1-CD2 4.26Å; L209-L229 HydrophobicContact CD2-CD1 4.08Å; I214-L229 HydrophobicContact CD1-CD1 4.25Å; I214-L229 HydrophobicContact CD1-CD2 3.6Å; I214-L229 HydrophobicContact CD1-CG 4.2Å; I214-L229 HydrophobicContact CG1-CD2 4.38Å; I214-L229 HydrophobicContact CG2-CD1 4.26Å; I214-L229 HydrophobicContact CG2-CG 4.12Å; P225-L229 WeakPolarHBondContact O-CD1 3.46Å; P225-L229 WeakPolarHBondContact O-CG 3.42Å; P225-L229 PolarHBondContact O-N 3.44Å; A226-L229 PolarHBondContact O-N 3.36Å
230L98.7Very high98Very high0 Ų031.6 Ų31.60%017%0.165CC..Hα-helixtrans-67.7-45.1176.4-64.6174000111.1L203 A226 Q227 V228 W232 A233 V234 V240 P242 N253 V256L203-L230 HydrophobicContact CD2-CD2 4.47Å; L203-L230 HydrophobicContact CD2-CG 4.35Å; A226-L230 VanDerWaalsContact O-CG 3.25Å; A226-L230 WeakPolarHBondContact O-CG 3.46Å; A226-L230 PolarHBondContact O-N 3.1Å; Q227-L230 PolarHBondContact O-N 3.39Å; V228-L230 PolarHBondContact O-N 2.91Å; L230-W232 VanDerWaalsContact C-N 3.32Å; L230-W232 PolarHBondContact O-N 2.68Å; L230-A233 PolarHBondContact O-N 2.79Å; L230-V234 WeakPolarHBondContact O-CG2 3.45Å; L230-V234 PolarHBondContact O-N 2.62Å; L230-V240 HydrophobicContact CB-CG2 4.49Å; L230-V240 HydrophobicContact CD2-CB 4Å; L230-V240 HydrophobicContact CD2-CG1 4.43Å; L230-V240 HydrophobicContact CD2-CG2 3.81Å; L230-P242 HydrophobicContact CD1-CB 4.13Å; L230-P242 HydrophobicContact CD1-CG 3.97Å; L230-P242 HydrophobicContact CD2-CB 3.96Å; L230-P242 HydrophobicContact CD2-CG 3.92Å; L230-N253 HydrophobicContact CD1-CB 3.82Å; L230-V256 HydrophobicContact CB-CG1 3.85Å; L230-V256 HydrophobicContact CD1-CG1 4.25Å
231R98.6Very high98.1Very high36 Ų3628 Ų2814%0.13615%0.146CC..Hα-helixtrans-59.4-43178.3-17967-161.8-175-6.3111.7Q227 V228 A233 V234 Q235 V256 F259 L261Q227-R231 WeakPolarHBondContact O-CB 3.34Å; Q227-R231 PolarHBondContact O-N 3.03Å; V228-R231 PolarHBondContact O-N 3.4Å; R231-A233 VanDerWaalsContact C-N 3.26Å; R231-A233 PolarHBondContact O-N 3.38Å; R231-V234 PolarHBondContact O-N 3.05Å; R231-Q235 WeakPolarHBondContact O-CB 3.47Å; R231-Q235 PolarHBondContact O-N 3.27Å; R231-V256 WeakPolarHBondContact CD-O 3.49Å; R231-V256 PolarHBondContact NH1-O 3.28Å; R231-F259 HydrophobicContact CB-CE1 4.19Å; R231-F259 HydrophobicContact CB-CE2 3.84Å; R231-F259 HydrophobicContact CB-CZ 3.43Å; R231-F259 VanDerWaalsContact CB-CZ 3.43Å; R231-F259 WeakPolarHBondContact CD-O 3.46Å; R231-F259 HydrophobicContact CG-CD2 4.27Å; R231-F259 HydrophobicContact CG-CE1 4.33Å; R231-F259 HydrophobicContact CG-CE2 3.62Å; R231-F259 HydrophobicContact CG-CZ 3.66Å; R231-F259 PolarHBondContact NE-O 3.02Å; R231-F259 PolarHBondContact NH1-O 3.45Å; R231-F259 VanDerWaalsContact NH1-O 3.15Å; R231-F259 PolarHBondContact NH2-O 3.44Å; R231-L261 HydrophobicContact CB-CD1 4.18Å; R231-L261 HydrophobicContact CB-CG 4.37Å; R231-L261 HydrophobicContact CG-CD1 4.02Å; R231-L261 HydrophobicContact CG-CG 3.81Å
232W98.7Very high98.2Very high1 Ų127.2 Ų27.20%0.00414%0.14CC..Hα-helixtrans-55.9-41.3178.5173.683.1000112.1F177 P179 V228 L230 Q236 L261 M266 L269 S270F177-W232 HydrophobicContact CD1-CH2 4.37Å; F177-W232 AromaticContact CD1-CZ3 3.78Å; F177-W232 HydrophobicContact CD1-CZ3 3.78Å; F177-W232 HydrophobicContact CD2-CH2 4.46Å; F177-W232 HydrophobicContact CE1-CE3 4.01Å; F177-W232 AromaticContact CE1-CH2 3.59Å; F177-W232 HydrophobicContact CE1-CH2 3.59Å; F177-W232 AromaticContact CE1-CZ3 3.16Å; F177-W232 HydrophobicContact CE1-CZ3 3.16Å; F177-W232 AromaticContact CE2-CH2 3.66Å; F177-W232 HydrophobicContact CE2-CH2 3.66Å; F177-W232 HydrophobicContact CE2-CZ3 4.05Å; F177-W232 HydrophobicContact CG-CZ3 4.48Å; F177-W232 HydrophobicContact CZ-CE3 4.37Å; F177-W232 AromaticContact CZ-CH2 3.17Å; F177-W232 HydrophobicContact CZ-CH2 3.17Å; F177-W232 HydrophobicContact CZ-CZ2 4.12Å; F177-W232 AromaticContact CZ-CZ3 3.33Å; F177-W232 HydrophobicContact CZ-CZ3 3.33Å; P179-W232 HydrophobicContact CG-CD2 4.07Å; P179-W232 HydrophobicContact CG-CE3 4.06Å; P179-W232 HydrophobicContact CG-CZ3 4.3Å; V228-W232 VanDerWaalsContact O-CB 3.32Å; V228-W232 WeakPolarHBondContact O-CB 3.49Å; V228-W232 PolarHBondContact O-N 3.1Å; L230-W232 VanDerWaalsContact C-N 3.32Å; L230-W232 PolarHBondContact O-N 2.68Å; W232-Q236 WeakPolarHBondContact O-CG 3.22Å; W232-Q236 PolarHBondContact O-NE2 2.88Å; W232-L261 HydrophobicContact CB-CD1 3.92Å; W232-M266 HydrophobicContact CB-SD 4.4Å; W232-M266 HydrophobicContact CG-CE 4.4Å; W232-M266 HydrophobicContact CG-SD 4.33Å; W232-M266 WeakPolarHBondContact O-CE 3.45Å; W232-L269 HydrophobicContact CB-CD1 3.94Å; W232-L269 HydrophobicContact CG-CB 4.24Å; W232-L269 HydrophobicContact CG-CD1 3.97Å; W232-S270 PolarHBondContact NE1-OG 3.41Å; W232-S270 VanDerWaalsContact NE1-OG 3.12Å
233A98.4Very high98.1Very high1 Ų121.9 Ų21.91%0.00812%0.117CC..Hα-helixtrans-73.9-51.2176.500000112.3F177 L230 R231 Q235 Q236 V238 V240F177-A233 HydrophobicContact CD1-CB 4.34Å; F177-A233 HydrophobicContact CE1-CB 4.02Å; L230-A233 PolarHBondContact O-N 2.79Å; R231-A233 VanDerWaalsContact C-N 3.26Å; R231-A233 PolarHBondContact O-N 3.38Å; A233-Q235 VanDerWaalsContact C-N 3.31Å; A233-Q235 PolarHBondContact O-N 2.8Å; A233-Q236 WeakPolarHBondContact O-CB 3.31Å; A233-Q236 PolarHBondContact O-N 2.93Å; A233-V238 CarbonylContact C-O 3.59Å; A233-V238 HydrophobicContact CB-CB 4.24Å; A233-V238 HydrophobicContact CB-CG1 4.39Å; A233-V238 WeakPolarHBondContact O-CB 3.49Å; A233-V238 PolarHBondContact O-N 2.96Å; A233-V238 VanDerWaalsContact O-N 3.08Å; A233-V240 HydrophobicContact CB-CG1 3.39Å
234V98.1Very high97.9Very high9 Ų919.4 Ų19.46%0.05511%0.108CC..Hα-helixtrans-67.8-29.1-175.2-57.80000113.1L16 L230 R231 Q236 G237 V238 V240 F257L16-V234 HydrophobicContact CB-CB 4.47Å; L16-V234 HydrophobicContact CB-CG1 4.25Å; L230-V234 WeakPolarHBondContact O-CG2 3.45Å; L230-V234 PolarHBondContact O-N 2.62Å; R231-V234 PolarHBondContact O-N 3.05Å; V234-Q236 PolarHBondContact O-N 3.37Å; V234-G237 PolarHBondContact O-N 3.15Å; V234-V238 WeakPolarHBondContact CA-O 3.39Å; V234-V240 HydrophobicContact CG1-CB 4.47Å; V234-V240 HydrophobicContact CG1-CG1 4.1Å; V234-V240 HydrophobicContact CG1-CG2 3.62Å; V234-F257 HydrophobicContact CB-CE1 4.36Å; V234-F257 HydrophobicContact CG2-CE1 4.18Å
235Q97.8Very high97.7Very high60 Ų6018.8 Ų18.828%0.2811%0.106SC..THydrogen-bonded Turntrans-66.6-20.3174.8-171.8164.1-62.600112.4R231 A233 G237 L261 M266R231-Q235 WeakPolarHBondContact O-CB 3.47Å; R231-Q235 PolarHBondContact O-N 3.27Å; A233-Q235 VanDerWaalsContact C-N 3.31Å; A233-Q235 PolarHBondContact O-N 2.8Å; Q235-G237 VanDerWaalsContact C-N 3.33Å; Q235-L261 PolarHBondContact NE2-O 3.49Å; Q235-M266 HydrophobicContact CB-CE 4.27Å; Q235-M266 HydrophobicContact CG-CE 4.43Å
236Q96.6Very high97.6Very high59 Ų5919.9 Ų19.928%0.27611%0.11SC..THydrogen-bonded Turntrans-93.58.4172.1-60.5177.474.600112.5W232 A233 V234 V238 M266W232-Q236 WeakPolarHBondContact O-CG 3.22Å; W232-Q236 PolarHBondContact O-NE2 2.88Å; A233-Q236 WeakPolarHBondContact O-CB 3.31Å; A233-Q236 PolarHBondContact O-N 2.93Å; V234-Q236 PolarHBondContact O-N 3.37Å; Q236-V238 VanDerWaalsContact C-N 3.29Å; Q236-V238 HydrophobicContact CB-CG2 4.4Å; Q236-V238 PolarHBondContact O-N 3.24Å; Q236-M266 HydrophobicContact CG-CE 3.58Å
237G96.8Very high97.6Very high37 Ų3721.6 Ų21.638%0.38112%0.12SC..THydrogen-bonded Turntrans73.117.6-17600000114.1V234 Q235 P239V234-G237 PolarHBondContact O-N 3.15Å; Q235-G237 VanDerWaalsContact C-N 3.33Å; G237-P239 WeakPolarHBondContact O-CD 3.32Å
238V98.5Very high97.5Very high6 Ų627.3 Ų27.34%0.03615%0.147CC..  trans-92.5114.4177.3177.10000109.3F177 F197 A199 A233 V234 Q236F177-V238 HydrophobicContact CD1-CG1 3.96Å; F177-V238 HydrophobicContact CE1-CB 4.29Å; F177-V238 HydrophobicContact CE1-CG1 4.02Å; F177-V238 HydrophobicContact CE1-CG2 4.19Å; F197-V238 HydrophobicContact CD1-CG1 3.91Å; F197-V238 HydrophobicContact CD1-CG2 4.16Å; F197-V238 HydrophobicContact CE1-CG1 4.35Å; A199-V238 HydrophobicContact CB-CG1 3.74Å; A233-V238 CarbonylContact C-O 3.59Å; A233-V238 HydrophobicContact CB-CB 4.24Å; A233-V238 HydrophobicContact CB-CG1 4.39Å; A233-V238 WeakPolarHBondContact O-CB 3.49Å; A233-V238 PolarHBondContact O-N 2.96Å; A233-V238 VanDerWaalsContact O-N 3.08Å; V234-V238 WeakPolarHBondContact CA-O 3.39Å; Q236-V238 VanDerWaalsContact C-N 3.29Å; Q236-V238 HydrophobicContact CB-CG2 4.4Å; Q236-V238 PolarHBondContact O-N 3.24Å
239P98.7Very high97.4Very high0 Ų033.3 Ų33.30%017%0.17CC..  trans-64.7144.3175.9-19.232.2000111.8V6 M14 L16 F197 Q198 A199 G237V6-P239 HydrophobicContact CG1-CG 4.32Å; V6-P239 HydrophobicContact CG2-CG 3.71Å; M14-P239 HydrophobicContact CE-CB 3.88Å; M14-P239 HydrophobicContact CE-CG 3.5Å; L16-P239 HydrophobicContact CD2-CB 4.45Å; L16-P239 HydrophobicContact CD2-CG 4.05Å; L16-P239 CarbonylContact O-C 3.58Å; L16-P239 WeakPolarHBondContact O-CA 3.49Å; F197-P239 VanDerWaalsContact O-CD 3.23Å; F197-P239 WeakPolarHBondContact O-CD 3.13Å; Q198-P239 HydrophobicContact CG-CB 4.12Å; A199-P239 PolarHBondContact N-O 3.42Å; G237-P239 WeakPolarHBondContact O-CD 3.32Å
240V98.7Very high97.4Very high0 Ų033.3 Ų33.30%017%0.17CC..BIsolated β-bridgetrans-125.6150.1-175.6-63.20000112.6L16 L17 G18 A199 L230 A233 V234 P242L16-V240 PolarHBondContact O-N 3.24Å; L17-V240 HydrophobicContact CD1-CG2 3.7Å; G18-V240 PolarHBondContact N-O 3.2Å; A199-V240 HydrophobicContact CB-CG1 4.25Å; L230-V240 HydrophobicContact CB-CG2 4.49Å; L230-V240 HydrophobicContact CD2-CB 4Å; L230-V240 HydrophobicContact CD2-CG1 4.43Å; L230-V240 HydrophobicContact CD2-CG2 3.81Å; A233-V240 HydrophobicContact CB-CG1 3.39Å; V234-V240 HydrophobicContact CG1-CB 4.47Å; V234-V240 HydrophobicContact CG1-CG1 4.1Å; V234-V240 HydrophobicContact CG1-CG2 3.62Å; V240-P242 VanDerWaalsContact C-CD 3.49Å
241L98.3Very high97.3Very high12 Ų1237.6 Ų37.66%0.06319%0.192CC..  trans-12761.6-175.7-60.6170.2000112.6G18 D46 Q174 Q198 A199 K243G18-L241 WeakPolarHBondContact O-CA 3.33Å; D46-L241 HydrophobicContact CB-CD1 3.7Å; D46-L241 HydrophobicContact CB-CD2 3.66Å; D46-L241 HydrophobicContact CB-CG 4.19Å; D46-L241 VanDerWaalsContact CG-CD1 3.49Å; Q174-L241 HydrophobicContact CG-CD1 4.39Å; Q198-L241 HydrophobicContact CG-CD1 4.22Å; A199-L241 PolarHBondContact O-N 3.21Å; L241-K243 PolarHBondContact O-N 2.92Å
242P97.3Very high97.2Very high8 Ų842 Ų425%0.05221%0.209CC..  trans-60.8134.6175.525.8-34000111L17 G18 G20 L230 V240 N253L17-P242 HydrophobicContact CD1-CG 3.67Å; G18-P242 WeakPolarHBondContact O-CD 3.5Å; G20-P242 PolarHBondContact N-O 3.37Å; L230-P242 HydrophobicContact CD1-CB 4.13Å; L230-P242 HydrophobicContact CD1-CG 3.97Å; L230-P242 HydrophobicContact CD2-CB 3.96Å; L230-P242 HydrophobicContact CD2-CG 3.92Å; V240-P242 VanDerWaalsContact C-CD 3.49Å; P242-N253 HydrophobicContact CG-CB 4.32Å
243K95.1Very high97.2Very high79 Ų7942.5 Ų42.534%0.34321%0.212SC..  trans-100.6136.4172.2-177.8-97179.1174.30110.7G20 Y22 K23 L241G20-K243 WeakPolarHBondContact O-CB 3.36Å; G20-K243 WeakPolarHBondContact O-CG 3.44Å; Y22-K243 WeakPolarHBondContact O-CD 3.42Å; Y22-K243 WeakPolarHBondContact O-CE 3.27Å; Y22-K243 WeakPolarHBondContact O-CG 3.23Å; K23-K243 WeakPolarHBondContact O-CE 3.2Å; K23-K243 PolarHBondContact O-NZ 3.06Å; L241-K243 PolarHBondContact O-N 2.92Å
244S94.9Very high97.1Very high5 Ų543.3 Ų43.34%0.03522%0.218CC..  trans-154.2145.6165.4178.90000109.8N246 R249 I250S244-N246 PolarHBondContact OG-N 3.45Å; S244-N246 PolarHBondContact OG-O 2.71Å; S244-N246 VanDerWaalsContact OG-O 3.08Å; S244-R249 WeakPolarHBondContact OG-CB 3.38Å; S244-R249 PolarHBondContact OG-NE 3.36Å; S244-R249 VanDerWaalsContact OG-NE 3.16Å; S244-I250 WeakPolarHBondContact O-CD1 3.41Å
245S93.9Very high97Very high33 Ų3346.7 Ų46.723%0.23123%0.233CC..SBendtrans-95.6-8.6164.9500000112.5P247S245-P247 WeakPolarHBondContact O-CD 3.34Å
246N96.4Very high97Very high51 Ų5143.8 Ų43.827%0.27322%0.22SC..  trans-91120.8178.8176.3-55.7000109.4S244 E248 R249 I250S244-N246 PolarHBondContact OG-N 3.45Å; S244-N246 PolarHBondContact OG-O 2.71Å; S244-N246 VanDerWaalsContact OG-O 3.08Å; N246-E248 PolarHBondContact O-N 3.32Å; N246-E248 WeakPolarHBondContact OD1-CA 3.2Å; N246-E248 WeakPolarHBondContact OD1-CB 3.36Å; N246-E248 PolarHBondContact OD1-N 3.3Å; N246-R249 HydrophobicContact CB-CB 4.32Å; N246-R249 HydrophobicContact CB-CG 4.32Å; N246-R249 VanDerWaalsContact CB-NH2 3.26Å; N246-R249 PolarHBondContact O-N 3.38Å; N246-R249 PolarHBondContact OD1-N 3.34Å; N246-R249 VanDerWaalsContact OD1-N 3.1Å; N246-I250 WeakPolarHBondContact O-CG1 3.29Å; N246-I250 PolarHBondContact O-N 3.34Å; N246-I250 VanDerWaalsContact O-N 3.13Å
247P97.3Very high97Very high48 Ų4843.6 Ų43.631%0.31222%0.218SC..Hα-helixtrans-56.5-41.5-180-30.538.1000115Q32 A36 S245 R249 I250 L251Q32-P247 HydrophobicContact CG-CG 3.73Å; A36-P247 HydrophobicContact CB-CB 3.76Å; A36-P247 HydrophobicContact CB-CG 4.25Å; S245-P247 WeakPolarHBondContact O-CD 3.34Å; P247-R249 VanDerWaalsContact C-N 3.32Å; P247-R249 PolarHBondContact O-N 3.1Å; P247-I250 WeakPolarHBondContact O-CB 3.19Å; P247-I250 PolarHBondContact O-N 3.38Å; P247-I250 VanDerWaalsContact O-N 3.16Å; P247-L251 PolarHBondContact O-N 3.36Å
248E97.6Very high96.9Very high128 Ų12846.5 Ų46.560%0.59823%0.225SC*.Hα-helixtrans-64.3-38.9-179.7-59179.6176.500111.5N246 L251 R252N246-E248 PolarHBondContact O-N 3.32Å; N246-E248 WeakPolarHBondContact OD1-CA 3.2Å; N246-E248 WeakPolarHBondContact OD1-CB 3.36Å; N246-E248 PolarHBondContact OD1-N 3.3Å; E248-L251 PolarHBondContact O-N 2.89Å; E248-R252 WeakPolarHBondContact O-CB 3.29Å; E248-R252 WeakPolarHBondContact O-CG 3.27Å; E248-R252 PolarHBondContact O-N 3.41Å
249R96.9Very high96.9Very high125 Ų12547.5 Ų47.547%0.47223%0.229SC..Hα-helixtrans-68-36.3174.8-72-165.6-61.9-105.83.4112S244 N246 P247 N253S244-R249 WeakPolarHBondContact OG-CB 3.38Å; S244-R249 PolarHBondContact OG-NE 3.36Å; S244-R249 VanDerWaalsContact OG-NE 3.16Å; N246-R249 HydrophobicContact CB-CB 4.32Å; N246-R249 HydrophobicContact CB-CG 4.32Å; N246-R249 VanDerWaalsContact CB-NH2 3.26Å; N246-R249 PolarHBondContact O-N 3.38Å; N246-R249 PolarHBondContact OD1-N 3.34Å; N246-R249 VanDerWaalsContact OD1-N 3.1Å; P247-R249 VanDerWaalsContact C-N 3.32Å; P247-R249 PolarHBondContact O-N 3.1Å; R249-N253 VanDerWaalsContact O-CB 3.32Å; R249-N253 WeakPolarHBondContact O-CB 3.35Å; R249-N253 PolarHBondContact O-N 3.32Å; R249-N253 PolarHBondContact O-ND2 3.28Å; R249-N253 PolarHBondContact O-OD1 3.01Å
250I98.1Very high96.8Very high1 Ų150.6 Ų50.61%0.00525%0.254CS..Hα-helixtrans-62.3-48.1175.7-67.5163.3000109.7L19 A33 A36 A37 Y42 S244 N246 P247 N253 A254L19-I250 HydrophobicContact CD1-CD1 4.42Å; L19-I250 HydrophobicContact CD1-CG1 4.28Å; A33-I250 HydrophobicContact CB-CD1 3.89Å; A36-I250 HydrophobicContact CB-CB 4.4Å; A36-I250 HydrophobicContact CB-CD1 3.96Å; A36-I250 HydrophobicContact CB-CG2 4.35Å; A37-I250 HydrophobicContact CB-CG2 3.87Å; Y42-I250 HydrophobicContact CD2-CG2 4.38Å; Y42-I250 HydrophobicContact CE2-CG2 3.87Å; S244-I250 WeakPolarHBondContact O-CD1 3.41Å; N246-I250 WeakPolarHBondContact O-CG1 3.29Å; N246-I250 PolarHBondContact O-N 3.34Å; N246-I250 VanDerWaalsContact O-N 3.13Å; P247-I250 WeakPolarHBondContact O-CB 3.19Å; P247-I250 PolarHBondContact O-N 3.38Å; P247-I250 VanDerWaalsContact O-N 3.16Å; I250-N253 PolarHBondContact O-N 3.11Å; I250-A254 PolarHBondContact O-N 3.07Å
251L97.4Very high96.8Very high90 Ų9050.9 Ų50.947%0.47126%0.256SS..Hα-helixtrans-59.1-49.7176.9-177.764000111.7A40 P247 E248 N253 A254A40-L251 HydrophobicContact CB-CD1 3.78Å; P247-L251 PolarHBondContact O-N 3.36Å; E248-L251 PolarHBondContact O-N 2.89Å; L251-N253 VanDerWaalsContact C-N 3.28Å; L251-N253 PolarHBondContact O-N 3.06Å; L251-A254 WeakPolarHBondContact O-CB 3.37Å; L251-A254 PolarHBondContact O-N 3.43Å
252R96.5Very high96.8Very high129 Ų12952.8 Ų52.849%0.48727%0.27SS..Hα-helixtrans-60.8-35.6178.3-73.3-179.9-174173.76.7113.2Q227 E248 A254 E255Q227-R252 WeakPolarHBondContact CG-O 3.39Å; Q227-R252 PolarHBondContact NE2-O 3.49Å; E248-R252 WeakPolarHBondContact O-CB 3.29Å; E248-R252 WeakPolarHBondContact O-CG 3.27Å; E248-R252 PolarHBondContact O-N 3.41Å; R252-A254 PolarHBondContact O-N 3.02Å; R252-E255 PolarHBondContact O-N 2.9Å
253N97.1Very high96.9Very high12 Ų1258.3 Ų58.36%0.06430%0.299CS..Hα-helixtrans-70-19.7176.5-71.3-14.3000112.7Y42 L230 P242 R249 I250 L251 V256Y42-N253 WeakPolarHBondContact OH-CB 3.25Å; L230-N253 HydrophobicContact CD1-CB 3.82Å; P242-N253 HydrophobicContact CG-CB 4.32Å; R249-N253 VanDerWaalsContact O-CB 3.32Å; R249-N253 WeakPolarHBondContact O-CB 3.35Å; R249-N253 PolarHBondContact O-N 3.32Å; R249-N253 PolarHBondContact O-ND2 3.28Å; R249-N253 PolarHBondContact O-OD1 3.01Å; I250-N253 PolarHBondContact O-N 3.11Å; L251-N253 VanDerWaalsContact C-N 3.28Å; L251-N253 PolarHBondContact O-N 3.06Å; N253-V256 VanDerWaalsContact O-CG1 3.31Å; N253-V256 WeakPolarHBondContact O-CG1 3.45Å
254A96.8Very high97Very high18 Ų1858.5 Ų58.515%0.14931%0.309CS..Hα-helixtrans-74.5-28.9173.600000113L17 A40 Y42 I250 L251 R252 V256L17-A254 HydrophobicContact CD2-CB 4.43Å; A40-A254 HydrophobicContact CB-CB 4.01Å; Y42-A254 HydrophobicContact CD2-CB 4.42Å; Y42-A254 HydrophobicContact CE2-CB 3.75Å; I250-A254 PolarHBondContact O-N 3.07Å; L251-A254 WeakPolarHBondContact O-CB 3.37Å; L251-A254 PolarHBondContact O-N 3.43Å; R252-A254 PolarHBondContact O-N 3.02Å; A254-V256 PolarHBondContact O-N 3.42Å
255E96.8Very high97.2Very high79 Ų7959 Ų5937%0.36931%0.311SS..THydrogen-bonded Turntrans-78.253.4-178.8-61.1168.1177.900111.6Q227 R252Q227-E255 PolarHBondContact NE2-O 2.93Å; Q227-E255 PolarHBondContact NE2-OE2 3.36Å; R252-E255 PolarHBondContact O-N 2.9Å
256V97.3Very high97.4Very high0 Ų058.3 Ų58.30%030%0.304CS..THydrogen-bonded Turntrans-115.10.7179.5-63.80000112.8L17 Q227 L230 R231 N253 A254L17-V256 HydrophobicContact CD2-CG2 4.2Å; Q227-V256 HydrophobicContact CB-CG1 4.27Å; Q227-V256 HydrophobicContact CG-CG1 4.13Å; L230-V256 HydrophobicContact CB-CG1 3.85Å; L230-V256 HydrophobicContact CD1-CG1 4.25Å; R231-V256 WeakPolarHBondContact CD-O 3.49Å; R231-V256 PolarHBondContact NH1-O 3.28Å; N253-V256 VanDerWaalsContact O-CG1 3.31Å; N253-V256 WeakPolarHBondContact O-CG1 3.45Å; A254-V256 PolarHBondContact O-N 3.42Å
257F96.8Very high97.5Very high55 Ų5561.1 Ų61.124%0.24132%0.319CS..SBendtrans-108.7-9.7-178.5-59.4-68.6000113.6H4 L16 L17 V234H4-F257 HydrophobicContact CB-CD1 3.91Å; H4-F257 HydrophobicContact CB-CE1 3.6Å; H4-F257 HydrophobicContact CB-CE2 4.4Å; H4-F257 HydrophobicContact CB-CG 4.44Å; H4-F257 HydrophobicContact CB-CZ 3.87Å; H4-F257 AromaticContact CD2-CD1 3.73Å; H4-F257 AromaticContact CD2-CD2 3.95Å; H4-F257 AromaticContact CD2-CG 3.55Å; H4-F257 AromaticContact CG-CD1 3.48Å; H4-F257 VanDerWaalsContact CG-CD1 3.48Å; H4-F257 AromaticContact CG-CE1 3.74Å; H4-F257 AromaticContact CG-CG 3.82Å; H4-F257 AromaticContact ND1-CD1 3.74Å; H4-F257 AromaticContact NE2-CG 3.9Å; L16-F257 HydrophobicContact CB-CE1 4.18Å; L16-F257 HydrophobicContact CB-CZ 4.11Å; L16-F257 HydrophobicContact CD1-CE1 4.35Å; L17-F257 HydrophobicContact CB-CE2 3.93Å; L17-F257 HydrophobicContact CB-CZ 3.84Å; L17-F257 HydrophobicContact CD2-CE2 3.95Å; V234-F257 HydrophobicContact CB-CE1 4.36Å; V234-F257 HydrophobicContact CG2-CE1 4.18Å
258D95.3Very high97.5Very high98 Ų9862.9 Ų62.952%0.52432%0.32SS..SBendtrans-94.48.3-17869.1-29.3000113.7R223R223-D258 IonicContact CZ-OD1 2.76Å; R223-D258 VanDerWaalsContact CZ-OD1 3.31Å; R223-D258 IonicContact CZ-OD2 3.66Å; R223-D258 VanDerWaalsContact CZ-OD2 3.23Å; R223-D258 IonicContact NH1-OD1 3.23Å; R223-D258 PolarHBondContact NH1-OD1 3.4Å; R223-D258 VanDerWaalsContact NH1-OD1 3.1Å; R223-D258 IonicContact NH1-OD2 2.84Å; R223-D258 PolarHBondContact NH1-OD2 2.99Å; R223-D258 IonicContact NH2-OD1 3.38Å; R223-D258 PolarHBondContact NH2-OD1 3.5Å; R223-D258 IonicContact NH2-OD2 3.93Å; R223-D258 PolarHBondContact NH2-OD2 3.32Å
259F97.3Very high97.6Very high27 Ų2756.8 Ų56.812%0.11829%0.291CS..  trans-147.6167.7171.675.5-76.9000111.2R223 Q227 R231 L261R223-F259 HydrophobicContact CB-CE1 4.49Å; R223-F259 HydrophobicContact CB-CE2 4.36Å; R223-F259 HydrophobicContact CB-CZ 4.13Å; R223-F259 HydrophobicContact CG-CD1 3.89Å; R223-F259 HydrophobicContact CG-CD2 3.88Å; R223-F259 HydrophobicContact CG-CE1 3.71Å; R223-F259 HydrophobicContact CG-CE2 3.72Å; R223-F259 HydrophobicContact CG-CG 3.96Å; R223-F259 HydrophobicContact CG-CZ 3.63Å; R223-F259 VanDerWaalsContact NE-CD1 3.27Å; Q227-F259 HydrophobicContact CB-CE1 4.24Å; Q227-F259 HydrophobicContact CB-CZ 4.17Å; R231-F259 HydrophobicContact CB-CE1 4.19Å; R231-F259 HydrophobicContact CB-CE2 3.84Å; R231-F259 HydrophobicContact CB-CZ 3.43Å; R231-F259 VanDerWaalsContact CB-CZ 3.43Å; R231-F259 WeakPolarHBondContact CD-O 3.46Å; R231-F259 HydrophobicContact CG-CD2 4.27Å; R231-F259 HydrophobicContact CG-CE1 4.33Å; R231-F259 HydrophobicContact CG-CE2 3.62Å; R231-F259 HydrophobicContact CG-CZ 3.66Å; R231-F259 PolarHBondContact NE-O 3.02Å; R231-F259 PolarHBondContact NH1-O 3.45Å; R231-F259 VanDerWaalsContact NH1-O 3.15Å; R231-F259 PolarHBondContact NH2-O 3.44Å; F259-L261 HydrophobicContact CE2-CD2 3.93Å; F259-L261 HydrophobicContact CE2-CG 4.22Å
260A97.7Very high97.6Very high65 Ų6552.8 Ų52.854%0.53728%0.283SS..  trans-127147.8170.400000110
261L98.4Very high97.6Very high6 Ų656.7 Ų56.73%0.03132%0.315CS..  trans-81.6141.7167.4-65.8172.6000108.5V217 V228 R231 W232 Q235 F259 D265 M266 L269V217-L261 HydrophobicContact CG1-CD2 3.74Å; V228-L261 HydrophobicContact CG1-CD1 4.28Å; V228-L261 HydrophobicContact CG1-CD2 4.31Å; V228-L261 HydrophobicContact CG2-CD2 4.37Å; R231-L261 HydrophobicContact CB-CD1 4.18Å; R231-L261 HydrophobicContact CB-CG 4.37Å; R231-L261 HydrophobicContact CG-CD1 4.02Å; R231-L261 HydrophobicContact CG-CG 3.81Å; W232-L261 HydrophobicContact CB-CD1 3.92Å; Q235-L261 PolarHBondContact NE2-O 3.49Å; F259-L261 HydrophobicContact CE2-CD2 3.93Å; F259-L261 HydrophobicContact CE2-CG 4.22Å; L261-D265 HydrophobicContact CB-CB 4.5Å; L261-M266 HydrophobicContact CB-CG 3.86Å; L261-M266 HydrophobicContact CB-SD 3.71Å; L261-M266 HydrophobicContact CD1-SD 3.67Å; L261-M266 HydrophobicContact CG-SD 4.32Å; L261-L269 HydrophobicContact CD1-CD1 3.84Å
262S98.3Very high97.6Very high52 Ų5254 Ų5436%0.36430%0.301SS..  trans-67.9155.3175.3720000110.8P264 D265 M266S262-P264 VanDerWaalsContact C-N 3.32Å; S262-D265 PolarHBondContact O-N 3.49Å; S262-D265 WeakPolarHBondContact OG-CB 3.47Å; S262-D265 PolarHBondContact OG-N 3.29Å; S262-D265 PolarHBondContact OG-OD2 3.46Å; S262-M266 WeakPolarHBondContact O-CG 3.37Å; S262-M266 PolarHBondContact O-N 3.19Å
263D98.3Very high97.7Very high123 Ų12350.9 Ų50.966%0.65829%0.294SS*.Hα-helixtrans-55.2-43.7175.8-59.6-26.4000111.9D265 M266 D267D263-D265 PolarHBondContact O-N 3.06Å; D263-M266 WeakPolarHBondContact O-CB 3.48Å; D263-M266 PolarHBondContact O-N 3.1Å; D263-D267 PolarHBondContact O-N 2.94Å
264P98.3Very high97.7Very high84 Ų8454.3 Ų54.355%0.54532%0.318SS..Hα-helixtrans-59.5-40.1173.4-25.835.7000114S262 D267 R268S262-P264 VanDerWaalsContact C-N 3.32Å; P264-D267 PolarHBondContact O-N 2.65Å; P264-R268 WeakPolarHBondContact O-CB 3.49Å; P264-R268 WeakPolarHBondContact O-CG 3.47Å; P264-R268 PolarHBondContact O-N 3.39Å
265D98.4Very high97.7Very high15 Ų1555.6 Ų55.68%0.0833%0.333CS..Hα-helixtrans-68.7-38.5177.3-68.7-42.9000111.4V217 L261 S262 D263 R268 L269V217-D265 HydrophobicContact CG1-CB 3.78Å; V217-D265 HydrophobicContact CG2-CB 4.13Å; L261-D265 HydrophobicContact CB-CB 4.5Å; S262-D265 PolarHBondContact O-N 3.49Å; S262-D265 WeakPolarHBondContact OG-CB 3.47Å; S262-D265 PolarHBondContact OG-N 3.29Å; S262-D265 PolarHBondContact OG-OD2 3.46Å; D263-D265 PolarHBondContact O-N 3.06Å; D265-R268 PolarHBondContact O-N 2.86Å; D265-L269 VanDerWaalsContact O-CG 3.27Å; D265-L269 WeakPolarHBondContact O-CG 3.39Å; D265-L269 PolarHBondContact O-N 3.34Å
266M98.5Very high97.7Very high18 Ų1855 Ų559%0.08933%0.33CS..Hα-helixtrans-61.1-44.1174.3-72.4-64.1-71.300111.6W232 Q235 Q236 L261 S262 D263 L269 S270W232-M266 HydrophobicContact CB-SD 4.4Å; W232-M266 HydrophobicContact CG-CE 4.4Å; W232-M266 HydrophobicContact CG-SD 4.33Å; W232-M266 WeakPolarHBondContact O-CE 3.45Å; Q235-M266 HydrophobicContact CB-CE 4.27Å; Q235-M266 HydrophobicContact CG-CE 4.43Å; Q236-M266 HydrophobicContact CG-CE 3.58Å; L261-M266 HydrophobicContact CB-CG 3.86Å; L261-M266 HydrophobicContact CB-SD 3.71Å; L261-M266 HydrophobicContact CD1-SD 3.67Å; L261-M266 HydrophobicContact CG-SD 4.32Å; S262-M266 WeakPolarHBondContact O-CG 3.37Å; S262-M266 PolarHBondContact O-N 3.19Å; D263-M266 WeakPolarHBondContact O-CB 3.48Å; D263-M266 PolarHBondContact O-N 3.1Å; M266-L269 PolarHBondContact O-N 2.91Å; M266-S270 WeakPolarHBondContact O-CB 3.47Å; M266-S270 PolarHBondContact O-N 3.25Å; M266-S270 PolarHBondContact O-OG 2.85Å
267D98.1Very high97.7Very high110 Ų11058.5 Ų58.559%0.58834%0.344SS*.Hα-helixtrans-64.8-45.1177.1-71.6-20.3000111.4D263 P264 L269 S270 A271D263-D267 PolarHBondContact O-N 2.94Å; P264-D267 PolarHBondContact O-N 2.65Å; D267-L269 VanDerWaalsContact C-N 3.33Å; D267-L269 PolarHBondContact O-N 2.93Å; D267-S270 PolarHBondContact O-N 3.06Å; D267-A271 WeakPolarHBondContact O-CB 3.36Å; D267-A271 PolarHBondContact O-N 2.83Å
268R98Very high97.6Very high85 Ų8557 Ų5732%0.32134%0.337SS..Hα-helixtrans-58.7-43.4176.9-75.5176.269.3174.19.7112.5V213 E216 P264 D265V213-R268 HydrophobicContact CG1-CB 4.32Å; E216-R268 IonicContact OE1-CZ 2.82Å; E216-R268 IonicContact OE1-NH1 2.74Å; E216-R268 PolarHBondContact OE1-NH1 2.96Å; E216-R268 IonicContact OE1-NH2 3.76Å; E216-R268 PolarHBondContact OE1-NH2 3.43Å; E216-R268 VanDerWaalsContact OE1-NH2 3.13Å; E216-R268 IonicContact OE2-CZ 3.13Å; E216-R268 IonicContact OE2-NH1 2.73Å; E216-R268 IonicContact OE2-NH2 3.23Å; E216-R268 PolarHBondContact OE2-NH2 2.94Å; P264-R268 WeakPolarHBondContact O-CB 3.49Å; P264-R268 WeakPolarHBondContact O-CG 3.47Å; P264-R268 PolarHBondContact O-N 3.39Å; D265-R268 PolarHBondContact O-N 2.86Å
269L98.5Very high97.6Very high0 Ų053.6 Ų53.60%032%0.321CS..Hα-helixtrans-66.7-44.2176.5-69.9170000110.9P179 I214 V217 V228 W232 L261 D265 M266 D267 A271 L272P179-L269 WeakPolarHBondContact CB-O 3.37Å; P179-L269 HydrophobicContact CG-CB 4.37Å; P179-L269 HydrophobicContact CG-CD2 4.42Å; I214-L269 HydrophobicContact CG1-CD2 3.81Å; V217-L269 HydrophobicContact CG1-CD1 4.2Å; V217-L269 HydrophobicContact CG2-CD2 4.36Å; V217-L269 HydrophobicContact CG2-CG 4.31Å; V228-L269 HydrophobicContact CG1-CD1 3.73Å; V228-L269 HydrophobicContact CG1-CD2 4.3Å; W232-L269 HydrophobicContact CB-CD1 3.94Å; W232-L269 HydrophobicContact CG-CB 4.24Å; W232-L269 HydrophobicContact CG-CD1 3.97Å; L261-L269 HydrophobicContact CD1-CD1 3.84Å; D265-L269 VanDerWaalsContact O-CG 3.27Å; D265-L269 WeakPolarHBondContact O-CG 3.39Å; D265-L269 PolarHBondContact O-N 3.34Å; M266-L269 PolarHBondContact O-N 2.91Å; D267-L269 VanDerWaalsContact C-N 3.33Å; D267-L269 PolarHBondContact O-N 2.93Å; L269-A271 PolarHBondContact O-N 3.42Å; L269-L272 HydrophobicContact CD2-CD1 4.28Å; L269-L272 VanDerWaalsContact O-CB 3.26Å; L269-L272 WeakPolarHBondContact O-CB 3.36Å; L269-L272 WeakPolarHBondContact O-CG 3.31Å; L269-L272 PolarHBondContact O-N 3.23Å
270S97.6Very high97.3Very high42 Ų4256.9 Ų56.929%0.29433%0.332SS..Hα-helixtrans-67.1-28.2-179.2-51.40000112.5W232 M266 D267 L272 D273W232-S270 PolarHBondContact NE1-OG 3.41Å; W232-S270 VanDerWaalsContact NE1-OG 3.12Å; M266-S270 WeakPolarHBondContact O-CB 3.47Å; M266-S270 PolarHBondContact O-N 3.25Å; M266-S270 PolarHBondContact O-OG 2.85Å; D267-S270 PolarHBondContact O-N 3.06Å; S270-L272 PolarHBondContact O-N 3.09Å; S270-D273 PolarHBondContact O-N 2.96Å
271A98Very high97Very high83 Ų8357 Ų5769%0.68632%0.324SS*.THydrogen-bonded Turntrans-71.9-8173.800000114.1D267 L269 D273D267-A271 WeakPolarHBondContact O-CB 3.36Å; D267-A271 PolarHBondContact O-N 2.83Å; L269-A271 PolarHBondContact O-N 3.42Å; A271-D273 PolarHBondContact O-N 2.93Å
272L98.3Very high96.7Very high33 Ų3357.2 Ų57.217%0.17333%0.326CS..THydrogen-bonded Turntrans-74.3-6.3172.4-64.3176.8000113P179 R180 V213 I214 L269 S270 C274P179-L272 HydrophobicContact CB-CB 4.06Å; P179-L272 HydrophobicContact CB-CD1 3.92Å; P179-L272 CarbonylContact O-C 3.55Å; P179-L272 VanDerWaalsContact O-C 3.26Å; R180-L272 HydrophobicContact CG-CB 4.43Å; V213-L272 HydrophobicContact CB-CD1 4.12Å; V213-L272 HydrophobicContact CB-CD2 3.99Å; V213-L272 HydrophobicContact CB-CG 4.5Å; V213-L272 HydrophobicContact CG1-CD1 4.14Å; V213-L272 HydrophobicContact CG1-CD2 4.24Å; V213-L272 HydrophobicContact CG1-CG 4.37Å; V213-L272 HydrophobicContact CG2-CD2 3.92Å; I214-L272 HydrophobicContact CD1-CD1 4.39Å; I214-L272 HydrophobicContact CG1-CD1 4.06Å; L269-L272 HydrophobicContact CD2-CD1 4.28Å; L269-L272 VanDerWaalsContact O-CB 3.26Å; L269-L272 WeakPolarHBondContact O-CB 3.36Å; L269-L272 WeakPolarHBondContact O-CG 3.31Å; L269-L272 PolarHBondContact O-N 3.23Å; S270-L272 PolarHBondContact O-N 3.09Å; L272-C274 PolarHBondContact O-N 2.94Å; L272-C274 VanDerWaalsContact O-N 3.15Å
273D98.1Very high96.3Very high63 Ų6357.7 Ų57.734%0.33733%0.329SS..  trans-59120.3-177.4-168.227.8000110.8P179 L181 C182 S270 A271P179-D273 VanDerWaalsContact O-CA 3.22Å; P179-D273 WeakPolarHBondContact O-CA 3.11Å; P179-D273 PolarHBondContact O-N 2.99Å; L181-D273 VanDerWaalsContact CA-OD1 3.26Å; L181-D273 WeakPolarHBondContact CA-OD1 3.46Å; L181-D273 PolarHBondContact N-OD1 2.97Å; C182-D273 HydrophobicContact CB-CB 4Å; C182-D273 PolarHBondContact N-OD1 3.04Å; S270-D273 PolarHBondContact O-N 2.96Å; A271-D273 PolarHBondContact O-N 2.93Å
274C97.3Very high95.9Very high84 Ų8458.2 Ų58.257%0.56833%0.327SS*.  trans-137.511179.663.20000111.9R180 L272 Q276R180-C274 PolarHBondContact O-N 2.94Å; L272-C274 PolarHBondContact O-N 2.94Å; L272-C274 VanDerWaalsContact O-N 3.15Å; C274-Q276 PolarHBondContact O-N 3.12Å
275G96.2Very high95.5Very high46 Ų4654.6 Ų54.647%0.47430%0.304SS..  trans69.611.2-177.300000114.4R180 R277R180-G275 PolarHBondContact O-N 3.43Å; R180-G275 VanDerWaalsContact O-N 3.11Å; G275-R277 PolarHBondContact O-N 3.03Å
276Q97.1Very high94.6Very high65 Ų6556.3 Ų56.330%0.30432%0.32SS..  trans-69.9120-178.7-178.1-179.810.100110.2H178 R180 C274 F278H178-Q276 PolarHBondContact CE1-O 2.91Å; H178-Q276 VanDerWaalsContact CE1-O 3.29Å; R180-Q276 HydrophobicContact CB-CB 4.21Å; R180-Q276 PolarHBondContact O-N 2.68Å; C274-Q276 PolarHBondContact O-N 3.12Å; Q276-F278 HydrophobicContact CG-CZ 4.36Å
277R96.6Very high94.4Very high75 Ų7558.2 Ų58.228%0.28333%0.331SS..  trans-95.1138.1170.4-57.8-177.5179.3-72.60110.4L181 G275 C279 D281L181-R277 HydrophobicContact CD1-CG 4.25Å; L181-R277 HydrophobicContact CD2-CG 3.99Å; G275-R277 PolarHBondContact O-N 3.03Å; R277-C279 WeakPolarHBondContact CB-O 3.44Å; R277-D281 IonicContact CZ-OD1 3.1Å; R277-D281 IonicContact CZ-OD2 3.82Å; R277-D281 IonicContact NE-OD1 3.61Å; R277-D281 PolarHBondContact NE-OD1 3.28Å; R277-D281 IonicContact NE-OD2 3.64Å; R277-D281 PolarHBondContact NE-OD2 3.47Å; R277-D281 IonicContact NH2-OD1 3.5Å; R277-D281 IonicContact NH2-OD2 3.29Å
278F96Very high94.3Very high23 Ų2355.5 Ų55.510%0.10132%0.318CS..SBendtrans-98.2-16.3164.9-61.4-81.6000111.4E176 H178 K205 E207 L208 Q276E176-F278 VanDerWaalsContact OE1-CA 3.31Å; E176-F278 WeakPolarHBondContact OE1-CA 3.27Å; E176-F278 WeakPolarHBondContact OE1-CB 3.5Å; E176-F278 PolarHBondContact OE1-N 3.29Å; H178-F278 AromaticContact CE1-CD2 3.68Å; H178-F278 AromaticContact CE1-CE2 3.72Å; H178-F278 AromaticContact NE2-CD2 3.43Å; H178-F278 WeakPolarHBondContact NE2-CD2 3.38Å; H178-F278 AromaticContact NE2-CE2 3.91Å; K205-F278 HydrophobicContact CD-CB 4.21Å; K205-F278 WeakPolarHBondContact CE-O 3.42Å; K205-F278 HydrophobicContact CG-CB 4.25Å; K205-F278 PolarHBondContact NZ-O 3.1Å; E207-F278 HydrophobicContact CB-CD1 4.35Å; E207-F278 HydrophobicContact CB-CE1 3.68Å; E207-F278 HydrophobicContact CB-CZ 4.18Å; E207-F278 HydrophobicContact CG-CD1 4.38Å; E207-F278 HydrophobicContact CG-CE1 4.1Å; E207-F278 WeakPolarHBondContact OE2-CE1 3.47Å; L208-F278 HydrophobicContact CD1-CE2 4.16Å; L208-F278 HydrophobicContact CD2-CE2 4.01Å; L208-F278 HydrophobicContact CD2-CZ 3.95Å; L208-F278 HydrophobicContact CG-CE2 3.96Å; L208-F278 HydrophobicContact CG-CZ 4.13Å; Q276-F278 HydrophobicContact CG-CZ 4.36Å
279C94.1Very high94Very high27 Ų2753.8 Ų53.818%0.18232%0.318CS..SBendtrans-100173168.8-67.60000111.7E176 Y200 R277E176-C279 PolarHBondContact OE1-N 3.42Å; E176-C279 WeakPolarHBondContact OE2-CB 3.18Å; E176-C279 PolarHBondContact OE2-N 2.91Å; E176-C279 VanDerWaalsContact OE2-N 3.16Å; Y200-C279 HydrophobicContact CE2-CB 4.29Å; R277-C279 WeakPolarHBondContact CB-O 3.44Å
280W91.3Very high93.8Very high96 Ų9657 Ų5736%0.36434%0.336SS..PPolyproline II helixtrans-60.416317480.2-49.8000112W113 P114 N153 P282 V285W113-W280 AromaticContact CD2-CZ2 3.96Å; W113-W280 HydrophobicContact CD2-CZ2 3.96Å; W113-W280 HydrophobicContact CE3-CD2 4.4Å; W113-W280 AromaticContact CE3-CE2 3.3Å; W113-W280 AromaticContact CE3-CH2 3.78Å; W113-W280 HydrophobicContact CE3-CH2 3.78Å; W113-W280 AromaticContact CE3-CZ2 2.92Å; W113-W280 HydrophobicContact CE3-CZ2 2.92Å; W113-W280 AromaticContact CE3-NE1 3.57Å; W113-W280 AromaticContact CH2-CD1 3.24Å; W113-W280 HydrophobicContact CH2-CD2 4.33Å; W113-W280 AromaticContact CH2-CE2 3.53Å; W113-W280 HydrophobicContact CH2-CG 4.25Å; W113-W280 HydrophobicContact CH2-CZ2 4.09Å; W113-W280 AromaticContact CH2-NE1 2.94Å; W113-W280 AromaticContact CZ3-CD1 3.5Å; W113-W280 HydrophobicContact CZ3-CD2 4.07Å; W113-W280 AromaticContact CZ3-CE2 2.93Å; W113-W280 HydrophobicContact CZ3-CG 4.39Å; W113-W280 HydrophobicContact CZ3-CH2 4.26Å; W113-W280 AromaticContact CZ3-CZ2 3.07Å; W113-W280 HydrophobicContact CZ3-CZ2 3.07Å; W113-W280 AromaticContact CZ3-NE1 2.66Å; P114-W280 HydrophobicContact CG-CH2 4.3Å; N153-W280 HydrophobicContact CB-CZ2 4.18Å; W280-P282 HydrophobicContact CH2-CB 3.73Å; W280-P282 HydrophobicContact CZ2-CB 3.59Å; W280-P282 HydrophobicContact CZ2-CG 4.4Å; W280-V285 HydrophobicContact CH2-CG2 3.89Å; W280-V285 HydrophobicContact CZ3-CG2 3.87Å
281D92Very high93.5Very high68 Ų6857.9 Ų57.936%0.36434%0.339SS..PPolyproline II helixtrans-102122.2-179.9-159.6-27.8000112R277 S283R277-D281 IonicContact CZ-OD1 3.1Å; R277-D281 IonicContact CZ-OD2 3.82Å; R277-D281 IonicContact NE-OD1 3.61Å; R277-D281 PolarHBondContact NE-OD1 3.28Å; R277-D281 IonicContact NE-OD2 3.64Å; R277-D281 PolarHBondContact NE-OD2 3.47Å; R277-D281 IonicContact NH2-OD1 3.5Å; R277-D281 IonicContact NH2-OD2 3.29Å; D281-S283 VanDerWaalsContact C-N 3.3Å; D281-S283 PolarHBondContact O-N 3.21Å; D281-S283 WeakPolarHBondContact OD1-CB 3.43Å; D281-S283 PolarHBondContact OD1-N 3.49Å; D281-S283 PolarHBondContact OD1-OG 2.7Å
282P92.2Very high93.3Very high10 Ų1056.3 Ų56.37%0.06532%0.316CS..G310 helixtrans-77.6-4.6174.731-35.4000115.1P114 N153 T155 W280 E284 V285P114-P282 HydrophobicContact CG-CB 4.11Å; N153-P282 WeakPolarHBondContact O-CB 3.27Å; N153-P282 WeakPolarHBondContact O-CG 3.4Å; T155-P282 HydrophobicContact CG2-CB 4.07Å; T155-P282 HydrophobicContact CG2-CG 4.01Å; W280-P282 HydrophobicContact CH2-CB 3.73Å; W280-P282 HydrophobicContact CZ2-CB 3.59Å; W280-P282 HydrophobicContact CZ2-CG 4.4Å; P282-E284 PolarHBondContact O-N 2.98Å; P282-V285 PolarHBondContact O-N 3.07Å; P282-V285 VanDerWaalsContact O-N 3.16Å
283S90.4Very high92.9Very high62 Ų6257.9 Ų57.943%0.43433%0.326SS..G310 helixtrans-58.8-32.7-173.563.80000114.2D281 V285D281-S283 VanDerWaalsContact C-N 3.3Å; D281-S283 PolarHBondContact O-N 3.21Å; D281-S283 WeakPolarHBondContact OD1-CB 3.43Å; D281-S283 PolarHBondContact OD1-N 3.49Å; D281-S283 PolarHBondContact OD1-OG 2.7Å; S283-V285 VanDerWaalsContact C-N 3.26Å; S283-V285 PolarHBondContact O-N 2.93Å
284E89.8Confident92.5Very high133 Ų13357.5 Ų57.562%0.62133%0.325SS*.G310 helixtrans-82.2-3.8-176.4-56.7-54.8118.800113.3V121 P282V121-E284 CarbonylContact C-O 3.5Å; V121-E284 HydrophobicContact CB-CB 4.49Å; V121-E284 WeakPolarHBondContact CB-O 3.41Å; V121-E284 HydrophobicContact CG2-CB 4.02Å; V121-E284 WeakPolarHBondContact CG2-O 3.19Å; P282-E284 PolarHBondContact O-N 2.98Å
285V89.4Confident92.1Very high8 Ų855.3 Ų55.35%0.04831%0.305CS..  trans-81.4121.2177.1-174.50000109P114 V121 N126 H158 W280 P282 S283P114-V285 HydrophobicContact CB-CB 4.45Å; P114-V285 HydrophobicContact CB-CG1 4.04Å; P114-V285 HydrophobicContact CG-CB 4.07Å; P114-V285 HydrophobicContact CG-CG1 4.09Å; P114-V285 HydrophobicContact CG-CG2 4.17Å; V121-V285 HydrophobicContact CB-CG2 4.24Å; V121-V285 HydrophobicContact CG1-CG2 4.37Å; V121-V285 CarbonylContact O-C 3.06Å; V121-V285 VanDerWaalsContact O-CA 3.29Å; V121-V285 WeakPolarHBondContact O-CA 3.4Å; N126-V285 HydrophobicContact CB-CG1 4.48Å; H158-V285 PolarHBondContact CE1-O 2.88Å; H158-V285 PolarHBondContact NE2-O 3.49Å; W280-V285 HydrophobicContact CH2-CG2 3.89Å; W280-V285 HydrophobicContact CZ3-CG2 3.87Å; P282-V285 PolarHBondContact O-N 3.07Å; P282-V285 VanDerWaalsContact O-N 3.16Å; S283-V285 VanDerWaalsContact C-N 3.26Å; S283-V285 PolarHBondContact O-N 2.93Å
286A80.2Confident91.7Very high51 Ų5156.2 Ų56.242%0.42129%0.29SS..  trans-65.80175.400000111.6V121 N126 R130V121-A286 PolarHBondContact O-N 2.82Å; N126-A286 VanDerWaalsContact CB-O 3.29Å; N126-A286 WeakPolarHBondContact CB-O 3.28Å; R130-A286 PolarHBondContact NH1-O 3.33Å; R130-A286 PolarHBondContact NH2-O 2.95Å; R130-A286 PolarHBondContact NH2-OXT 3.48Å

Retrieved 286 of 286 residues in 364.2 ms (Link to these results)

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