A0A077ZJ24_TRITR Loading...

Sigma54 activat and GAF domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJ24, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 481 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
1M47.1Very low67.7Low192 Ų19273.3 Ų73.395%0.94643%0.426SS*.  0128.90-90.1-165.5-89.600105.7F3M1-F3 PolarHBondContact O-N 2.83Å
2S57Low68.2Low106 Ų10669.8 Ų69.874%0.74141%0.412SS*.  trans-63.2132.417372.80000108.4S4 E145S2-S4 PolarHBondContact O-N 2.74Å; S2-S4 VanDerWaalsContact O-N 3.11Å; S2-E145 WeakPolarHBondContact CA-OE1 3.44Å
3F64.1Low68.7Low25 Ų2569.2 Ų69.211%0.1141%0.405CS..  trans-41.5123.7168.6-92-86.6000110.1M1 V5 V7 L8 V35 L36 F141 E145 I149M1-F3 PolarHBondContact O-N 2.83Å; F3-V5 PolarHBondContact O-N 2.73Å; F3-V7 HydrophobicContact CD1-CB 3.99Å; F3-V7 HydrophobicContact CD1-CG1 3.46Å; F3-V7 VanDerWaalsContact CD1-CG1 3.46Å; F3-V7 HydrophobicContact CE1-CG1 3.65Å; F3-L8 HydrophobicContact CB-CD1 3.82Å; F3-L8 HydrophobicContact CB-CD2 4.42Å; F3-L8 HydrophobicContact CB-CG 3.95Å; F3-L8 HydrophobicContact CD1-CD2 4.38Å; F3-L8 HydrophobicContact CD1-CG 4.38Å; F3-L8 HydrophobicContact CG-CD2 4.39Å; F3-L8 HydrophobicContact CG-CG 4.37Å; F3-V35 HydrophobicContact CD1-CG1 4.4Å; F3-V35 HydrophobicContact CE1-CG1 3.48Å; F3-V35 VanDerWaalsContact CE1-CG1 3.48Å; F3-V35 HydrophobicContact CZ-CG1 4.24Å; F3-L36 HydrophobicContact CE2-CD2 4.41Å; F3-L36 HydrophobicContact CZ-CD2 3.63Å; F3-F141 AromaticContact CE2-CD1 3.64Å; F3-F141 HydrophobicContact CE2-CD1 3.64Å; F3-F141 AromaticContact CE2-CE1 3.99Å; F3-F141 HydrophobicContact CE2-CE1 3.99Å; F3-F141 AromaticContact CZ-CD1 3.98Å; F3-F141 HydrophobicContact CZ-CD1 3.98Å; F3-F141 AromaticContact CZ-CE1 3.89Å; F3-F141 HydrophobicContact CZ-CE1 3.89Å; F3-E145 HydrophobicContact CD2-CB 3.56Å; F3-E145 HydrophobicContact CD2-CG 3.69Å; F3-E145 WeakPolarHBondContact CD2-OE1 3.42Å; F3-E145 HydrophobicContact CE2-CB 3.73Å; F3-E145 HydrophobicContact CE2-CG 4.31Å; F3-E145 PolarHBondContact N-OE1 2.97Å; F3-I149 HydrophobicContact CE1-CD1 4.07Å; F3-I149 HydrophobicContact CE2-CD1 3.81Å; F3-I149 HydrophobicContact CZ-CD1 3.4Å; F3-I149 VanDerWaalsContact CZ-CD1 3.4Å; F3-I149 HydrophobicContact CZ-CG1 4.39Å
4S70Confident68.7Low53 Ų5367.9 Ų67.937%0.37139%0.393SS..  trans-63.8143.8172.796.20000107.7S2 D6 V7 L8S2-S4 PolarHBondContact O-N 2.74Å; S2-S4 VanDerWaalsContact O-N 3.11Å; S4-D6 PolarHBondContact O-N 2.79Å; S4-D6 VanDerWaalsContact O-N 3.09Å; S4-D6 WeakPolarHBondContact OG-CB 3.34Å; S4-D6 PolarHBondContact OG-N 3.33Å; S4-V7 WeakPolarHBondContact O-CB 3.38Å; S4-V7 PolarHBondContact O-N 3.08Å; S4-V7 PolarHBondContact OG-N 3.08Å; S4-L8 PolarHBondContact O-N 2.75Å
5V70.8Confident68.4Low116 Ų11664.7 Ų64.770%0.70337%0.374SS*.Hα-helixtrans-54.1-31.7176177.90000110.3F3 V7 L8 A9F3-V5 PolarHBondContact O-N 2.73Å; V5-V7 PolarHBondContact O-N 3.27Å; V5-L8 PolarHBondContact O-N 3.08Å; V5-A9 WeakPolarHBondContact O-CB 3.16Å; V5-A9 PolarHBondContact O-N 2.95Å
6D71.7Confident68.3Low113 Ų11370.9 Ų70.960%0.60440%0.398SS*.Hα-helixtrans-65-36.9177.3-50.8-54.2000112.8S4 A9 N10S4-D6 PolarHBondContact O-N 2.79Å; S4-D6 VanDerWaalsContact O-N 3.09Å; S4-D6 WeakPolarHBondContact OG-CB 3.34Å; S4-D6 PolarHBondContact OG-N 3.33Å; D6-A9 PolarHBondContact O-N 2.82Å; D6-N10 WeakPolarHBondContact O-CB 3.48Å; D6-N10 PolarHBondContact O-N 3.36Å; D6-N10 PolarHBondContact O-ND2 3.21Å
7V71.8Confident68Low36 Ų3676 Ų7622%0.21841%0.41CS..Hα-helixtrans-67.9-46.5178.4174.40000110.6F3 S4 V5 A9 N10 I11 V35F3-V7 HydrophobicContact CD1-CB 3.99Å; F3-V7 HydrophobicContact CD1-CG1 3.46Å; F3-V7 VanDerWaalsContact CD1-CG1 3.46Å; F3-V7 HydrophobicContact CE1-CG1 3.65Å; S4-V7 WeakPolarHBondContact O-CB 3.38Å; S4-V7 PolarHBondContact O-N 3.08Å; S4-V7 PolarHBondContact OG-N 3.08Å; V5-V7 PolarHBondContact O-N 3.27Å; V7-A9 VanDerWaalsContact C-N 3.32Å; V7-A9 PolarHBondContact O-N 2.82Å; V7-N10 PolarHBondContact O-N 3.35Å; V7-I11 HydrophobicContact CG1-CD1 4.19Å; V7-I11 WeakPolarHBondContact O-CG1 3.23Å; V7-I11 PolarHBondContact O-N 2.78Å; V7-V35 HydrophobicContact CG1-CB 4.2Å; V7-V35 HydrophobicContact CG1-CG1 3.26Å; V7-V35 HydrophobicContact CG1-CG2 3.82Å
8L72.3Confident67.3Low32 Ų3273 Ų7317%0.16840%0.4CS..Hα-helixtrans-65.7-38.7176.8-67.7162.5000111.6F3 S4 V5 I11 A12 L148 L152F3-L8 HydrophobicContact CB-CD1 3.82Å; F3-L8 HydrophobicContact CB-CD2 4.42Å; F3-L8 HydrophobicContact CB-CG 3.95Å; F3-L8 HydrophobicContact CD1-CD2 4.38Å; F3-L8 HydrophobicContact CD1-CG 4.38Å; F3-L8 HydrophobicContact CG-CD2 4.39Å; F3-L8 HydrophobicContact CG-CG 4.37Å; S4-L8 PolarHBondContact O-N 2.75Å; V5-L8 PolarHBondContact O-N 3.08Å; L8-I11 PolarHBondContact O-N 3.31Å; L8-A12 WeakPolarHBondContact O-CB 3.29Å; L8-A12 PolarHBondContact O-N 2.9Å; L8-L148 HydrophobicContact CD1-CD2 3.29Å; L8-L148 HydrophobicContact CD2-CD2 3.42Å; L8-L148 VanDerWaalsContact CD2-CD2 3.42Å; L8-L148 HydrophobicContact CD2-CG 3.99Å; L8-L148 HydrophobicContact CG-CD2 3.93Å; L8-L152 HydrophobicContact CD2-CD1 4.06Å
9A74.1Confident66.7Low39 Ų3978.5 Ų78.532%0.32243%0.426SS..Hα-helixtrans-62.7-43173.600000111.3V5 D6 V7 A12 I13V5-A9 WeakPolarHBondContact O-CB 3.16Å; V5-A9 PolarHBondContact O-N 2.95Å; D6-A9 PolarHBondContact O-N 2.82Å; V7-A9 VanDerWaalsContact C-N 3.32Å; V7-A9 PolarHBondContact O-N 2.82Å; A9-A12 PolarHBondContact O-N 3.49Å; A9-I13 VanDerWaalsContact O-CB 3.32Å; A9-I13 WeakPolarHBondContact O-CB 3.48Å; A9-I13 WeakPolarHBondContact O-CD1 3.47Å; A9-I13 WeakPolarHBondContact O-CG1 3.35Å; A9-I13 PolarHBondContact O-N 3.21Å
10N73.7Confident66.6Low92 Ų9276 Ų7649%0.49242%0.42SS..Hα-helixtrans-62.7-44.8176.6-78.5-25.3000111.8D6 V7 A12 I13 E14D6-N10 WeakPolarHBondContact O-CB 3.48Å; D6-N10 PolarHBondContact O-N 3.36Å; D6-N10 PolarHBondContact O-ND2 3.21Å; V7-N10 PolarHBondContact O-N 3.35Å; N10-A12 VanDerWaalsContact C-N 3.35Å; N10-A12 PolarHBondContact O-N 3.16Å; N10-I13 PolarHBondContact O-N 3.11Å; N10-E14 WeakPolarHBondContact O-CB 3.43Å; N10-E14 WeakPolarHBondContact O-CG 3.43Å; N10-E14 PolarHBondContact O-N 3.05Å
11I71.5Confident66.7Low2 Ų274.9 Ų74.91%0.0141%0.412CS..Hα-helixtrans-58.1-49.4174.2-66.6164.8000109.8V7 L8 I13 E14 L15 L28 T31 L32 L152V7-I11 HydrophobicContact CG1-CD1 4.19Å; V7-I11 WeakPolarHBondContact O-CG1 3.23Å; V7-I11 PolarHBondContact O-N 2.78Å; L8-I11 PolarHBondContact O-N 3.31Å; I11-I13 PolarHBondContact O-N 3.24Å; I11-E14 PolarHBondContact O-N 2.94Å; I11-L15 HydrophobicContact CG2-CD1 4.06Å; I11-L15 WeakPolarHBondContact O-CB 3.49Å; I11-L15 WeakPolarHBondContact O-CG 3.43Å; I11-L15 PolarHBondContact O-N 3Å; I11-L28 HydrophobicContact CG2-CD1 3.77Å; I11-T31 HydrophobicContact CG1-CG2 4.06Å; I11-L32 HydrophobicContact CD1-CD2 3.76Å; I11-L32 HydrophobicContact CG1-CD2 4.31Å; I11-L152 HydrophobicContact CB-CD1 4.38Å; I11-L152 HydrophobicContact CG2-CB 4.37Å; I11-L152 HydrophobicContact CG2-CD1 3.95Å
12A73.7Confident67.8Low31 Ų3170.3 Ų70.326%0.25639%0.388SS..Hα-helixtrans-62.9-38.2179.800000113.2L8 A9 N10 Q16 L152L8-A12 WeakPolarHBondContact O-CB 3.29Å; L8-A12 PolarHBondContact O-N 2.9Å; A9-A12 PolarHBondContact O-N 3.49Å; N10-A12 VanDerWaalsContact C-N 3.35Å; N10-A12 PolarHBondContact O-N 3.16Å; A12-Q16 PolarHBondContact O-N 2.93Å; A12-L152 HydrophobicContact CB-CD2 4.28Å
13I74.6Confident68.6Low63 Ų6369.8 Ų69.832%0.32338%0.377SS..Hα-helixtrans-68.5-46.9178.3-72.9165.1000110.6A9 N10 I11 L15 Q16 R17A9-I13 VanDerWaalsContact O-CB 3.32Å; A9-I13 WeakPolarHBondContact O-CB 3.48Å; A9-I13 WeakPolarHBondContact O-CD1 3.47Å; A9-I13 WeakPolarHBondContact O-CG1 3.35Å; A9-I13 PolarHBondContact O-N 3.21Å; N10-I13 PolarHBondContact O-N 3.11Å; I11-I13 PolarHBondContact O-N 3.24Å; I13-L15 VanDerWaalsContact C-N 3.27Å; I13-L15 PolarHBondContact O-N 3.47Å; I13-Q16 PolarHBondContact O-N 2.77Å; I13-R17 HydrophobicContact CG2-CG 4.23Å; I13-R17 WeakPolarHBondContact O-CB 3.35Å; I13-R17 WeakPolarHBondContact O-CG 3.4Å; I13-R17 PolarHBondContact O-N 2.86Å
14E68.6Low69.3Low50 Ų5071.8 Ų71.823%0.23438%0.384CS..Hα-helixtrans-64.1-34.6178.7-73.2-58.8141.600111.6N10 I11 Q16 R17 R27N10-E14 WeakPolarHBondContact O-CB 3.43Å; N10-E14 WeakPolarHBondContact O-CG 3.43Å; N10-E14 PolarHBondContact O-N 3.05Å; I11-E14 PolarHBondContact O-N 2.94Å; E14-Q16 PolarHBondContact O-N 2.78Å; E14-R17 PolarHBondContact O-N 2.91Å; E14-R27 IonicContact OE2-NH1 2.83Å
15L65.2Low70.1Confident21 Ų2170 Ų7011%0.1137%0.369CS..Hα-helixtrans-59.8-31.9172.5-76.9174.4000113.5I11 I13 L28 L152 A156I11-L15 HydrophobicContact CG2-CD1 4.06Å; I11-L15 WeakPolarHBondContact O-CB 3.49Å; I11-L15 WeakPolarHBondContact O-CG 3.43Å; I11-L15 PolarHBondContact O-N 3Å; I13-L15 VanDerWaalsContact C-N 3.27Å; I13-L15 PolarHBondContact O-N 3.47Å; L15-L28 HydrophobicContact CD1-CD1 4.12Å; L15-L28 HydrophobicContact CD2-CB 3.98Å; L15-L28 HydrophobicContact CD2-CD1 3.52Å; L15-L28 HydrophobicContact CD2-CD2 3.68Å; L15-L28 HydrophobicContact CD2-CG 3.89Å; L15-L28 HydrophobicContact CG-CD1 3.82Å; L15-L152 HydrophobicContact CD1-CB 3.93Å; L15-L152 WeakPolarHBondContact CD1-O 3.41Å; L15-A156 HydrophobicContact CB-CB 4.2Å; L15-A156 HydrophobicContact CD1-CB 3.94Å; L15-A156 HydrophobicContact CD2-CB 3.17Å; L15-A156 HydrophobicContact CG-CB 3.94Å
16Q66.6Low70.9Confident163 Ų16367.7 Ų67.776%0.76235%0.351SS*.Hα-helixtrans-91-19179.3-68.2-178.2-1.700113.1A12 I13 E14A12-Q16 PolarHBondContact O-N 2.93Å; I13-Q16 PolarHBondContact O-N 2.77Å; E14-Q16 PolarHBondContact O-N 2.78Å
17R62.9Low71.4Confident158 Ų15867.9 Ų67.960%0.59634%0.343SS*.  trans-97.2102.9-177.1-74.6-176.2175.5172.2-0.7111.7I13 E14I13-R17 HydrophobicContact CG2-CG 4.23Å; I13-R17 WeakPolarHBondContact O-CB 3.35Å; I13-R17 WeakPolarHBondContact O-CG 3.4Å; I13-R17 PolarHBondContact O-N 2.86Å; E14-R17 PolarHBondContact O-N 2.91Å
18G56Low72Confident22 Ų2266.2 Ų66.223%0.22733%0.333CS..  trans177.3152.716600000114.2R24G18-R24 VanDerWaalsContact O-CZ 3.3Å; G18-R24 PolarHBondContact O-NE 2.97Å; G18-R24 PolarHBondContact O-NH2 3.28Å
19I56Low72.7Confident177 Ų17764.7 Ų64.791%0.90833%0.325SS*.SBendtrans-81.2-23.3-175.7-56.4171.7000111.3
20G64.3Low73.4Confident29 Ų2964.7 Ų64.730%0.29932%0.321SS..SBendtrans-150.2164.3176.300000113.9Q22 R24G20-Q22 PolarHBondContact O-N 2.98Å; G20-R24 WeakPolarHBondContact O-CG 3.41Å; G20-R24 PolarHBondContact O-N 2.82Å
21H68.8Low73.9Confident53 Ų5361.5 Ų61.525%0.24531%0.305CS..Hα-helixtrans-59.7-44.3-172.9-66.4-74.4000113.9R24 F25 A160H21-R24 PolarHBondContact O-N 2.92Å; H21-F25 HydrophobicContact CB-CE2 4.21Å; H21-F25 WeakPolarHBondContact O-CD2 3.41Å; H21-F25 WeakPolarHBondContact O-CG 3.14Å; H21-F25 PolarHBondContact O-N 3.23Å; H21-F25 VanDerWaalsContact O-N 3.13Å; H21-A160 VanDerWaalsContact CE1-CA 3.47Å; H21-A160 WeakPolarHBondContact CE1-CA 3.33Å; H21-A160 PolarHBondContact CE1-O 3.3Å; H21-A160 WeakPolarHBondContact ND1-CB 3.42Å
22Q70.5Confident74.5Confident95 Ų9561.4 Ų61.444%0.44431%0.305SS..Hα-helixtrans-64.3-44.2-177.4-74.7-162.7-47.400113.1G20 R24 F25 Q26G20-Q22 PolarHBondContact O-N 2.98Å; Q22-R24 VanDerWaalsContact C-N 3.29Å; Q22-R24 PolarHBondContact O-N 2.8Å; Q22-F25 PolarHBondContact O-N 3.34Å; Q22-Q26 WeakPolarHBondContact O-CB 3.44Å; Q22-Q26 PolarHBondContact O-N 3.18Å
23D74.1Confident75.2Confident96 Ų9663.8 Ų63.851%0.51331%0.307SS..Hα-helixtrans-63-37.9178.2-76.4-18.8000111.6Q26 R27D23-Q26 PolarHBondContact O-N 3.26Å; D23-R27 WeakPolarHBondContact O-CB 3.13Å; D23-R27 VanDerWaalsContact O-CG 3.25Å; D23-R27 WeakPolarHBondContact O-CG 3.18Å; D23-R27 PolarHBondContact O-N 3.04Å
24R78.4Confident75.7Confident67 Ų6767.7 Ų67.725%0.25332%0.324SS..Hα-helixtrans-62.3-47.2176.8-69.2178.6-167169.45.5111.2G18 G20 H21 Q22 R27 L28G18-R24 VanDerWaalsContact O-CZ 3.3Å; G18-R24 PolarHBondContact O-NE 2.97Å; G18-R24 PolarHBondContact O-NH2 3.28Å; G20-R24 WeakPolarHBondContact O-CG 3.41Å; G20-R24 PolarHBondContact O-N 2.82Å; H21-R24 PolarHBondContact O-N 2.92Å; Q22-R24 VanDerWaalsContact C-N 3.29Å; Q22-R24 PolarHBondContact O-N 2.8Å; R24-R27 PolarHBondContact O-N 3.43Å; R24-L28 PolarHBondContact O-N 2.84Å
25F86.2Confident76.3Confident15 Ų1567.4 Ų67.47%0.06633%0.325CS..Hα-helixtrans-68.2-37.6179.4-63.4-44.2000112.9H21 Q22 L28 I29 L43 L54 A55 L157 A160H21-F25 HydrophobicContact CB-CE2 4.21Å; H21-F25 WeakPolarHBondContact O-CD2 3.41Å; H21-F25 WeakPolarHBondContact O-CG 3.14Å; H21-F25 PolarHBondContact O-N 3.23Å; H21-F25 VanDerWaalsContact O-N 3.13Å; Q22-F25 PolarHBondContact O-N 3.34Å; F25-L28 WeakPolarHBondContact O-CB 3.43Å; F25-L28 PolarHBondContact O-N 3.06Å; F25-I29 WeakPolarHBondContact O-CG1 3.43Å; F25-I29 PolarHBondContact O-N 3.29Å; F25-L43 HydrophobicContact CB-CD2 3.88Å; F25-L43 HydrophobicContact CD1-CD2 3.25Å; F25-L43 HydrophobicContact CD2-CD2 4.39Å; F25-L43 HydrophobicContact CE1-CD2 3.76Å; F25-L43 HydrophobicContact CG-CD2 3.61Å; F25-L43 HydrophobicContact CZ-CD2 4.49Å; F25-L54 HydrophobicContact CD2-CB 4.29Å; F25-L54 HydrophobicContact CD2-CD1 4.25Å; F25-L54 HydrophobicContact CE2-CD1 3.92Å; F25-L54 HydrophobicContact CZ-CD1 4.27Å; F25-A55 HydrophobicContact CB-CB 3.66Å; F25-A55 WeakPolarHBondContact O-CB 3.47Å; F25-L157 HydrophobicContact CE1-CB 4.48Å; F25-L157 HydrophobicContact CE1-CD1 4.25Å; F25-L157 HydrophobicContact CE2-CD1 4.49Å; F25-L157 HydrophobicContact CZ-CD1 3.76Å; F25-A160 HydrophobicContact CE1-CB 4.26Å; F25-A160 HydrophobicContact CE2-CB 4.12Å; F25-A160 HydrophobicContact CZ-CB 3.41Å; F25-A160 VanDerWaalsContact CZ-CB 3.41Å
26Q86.9Confident77.2Confident68 Ų6866.5 Ų66.532%0.31832%0.321SS..Hα-helixtrans-64-43.6176.6-171.459.348.700111.3Q22 D23 I29 T30 I56Q22-Q26 WeakPolarHBondContact O-CB 3.44Å; Q22-Q26 PolarHBondContact O-N 3.18Å; D23-Q26 PolarHBondContact O-N 3.26Å; Q26-I29 PolarHBondContact O-N 3.4Å; Q26-T30 PolarHBondContact O-N 3.05Å; Q26-T30 PolarHBondContact O-OG1 3.36Å; Q26-I56 PolarHBondContact NE2-O 3.02Å; Q26-I56 PolarHBondContact OE1-O 3.18Å
27R83Confident78Confident116 Ų11666.1 Ų66.144%0.43832%0.319SS..Hα-helixtrans-62.3-45.5175.4-71.9174.8-171.3-157.11.8112.1E14 D23 R24 I29 T30 T31E14-R27 IonicContact OE2-NH1 2.83Å; D23-R27 WeakPolarHBondContact O-CB 3.13Å; D23-R27 VanDerWaalsContact O-CG 3.25Å; D23-R27 WeakPolarHBondContact O-CG 3.18Å; D23-R27 PolarHBondContact O-N 3.04Å; R24-R27 PolarHBondContact O-N 3.43Å; R27-I29 VanDerWaalsContact C-N 3.35Å; R27-I29 PolarHBondContact O-N 3.2Å; R27-T30 PolarHBondContact O-N 3.22Å; R27-T31 PolarHBondContact O-N 2.81Å; R27-T31 PolarHBondContact O-OG1 3.43Å; R27-T31 VanDerWaalsContact O-OG1 3.08Å
28L83.6Confident79Confident1 Ų158.9 Ų58.91%0.00529%0.292CS..Hα-helixtrans-51.8-54.9176174.566.6000111.2I11 L15 R24 F25 T30 T31 L32 L43 A153I11-L28 HydrophobicContact CG2-CD1 3.77Å; L15-L28 HydrophobicContact CD1-CD1 4.12Å; L15-L28 HydrophobicContact CD2-CB 3.98Å; L15-L28 HydrophobicContact CD2-CD1 3.52Å; L15-L28 HydrophobicContact CD2-CD2 3.68Å; L15-L28 HydrophobicContact CD2-CG 3.89Å; L15-L28 HydrophobicContact CG-CD1 3.82Å; R24-L28 PolarHBondContact O-N 2.84Å; F25-L28 WeakPolarHBondContact O-CB 3.43Å; F25-L28 PolarHBondContact O-N 3.06Å; L28-T30 VanDerWaalsContact C-N 3.34Å; L28-T30 PolarHBondContact O-N 3.34Å; L28-T31 PolarHBondContact O-N 3.07Å; L28-L32 HydrophobicContact CD1-CD1 3.95Å; L28-L32 HydrophobicContact CD1-CG 4.19Å; L28-L32 HydrophobicContact CG-CD1 3.91Å; L28-L32 HydrophobicContact CG-CG 4.47Å; L28-L32 WeakPolarHBondContact O-CB 3.21Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.39Å; L28-L32 PolarHBondContact O-N 2.87Å; L28-L43 HydrophobicContact CD2-CD2 4.38Å; L28-A153 HydrophobicContact CD2-CB 4.18Å
29I88.7Confident80.4Confident0 Ų060.1 Ų60.10%029%0.294CS..Hα-helixtrans-62.4-42-177.9-73.3-53.8000110.8F25 Q26 R27 T31 L32 R33 S41 L43 A55 D57 L128F25-I29 WeakPolarHBondContact O-CG1 3.43Å; F25-I29 PolarHBondContact O-N 3.29Å; Q26-I29 PolarHBondContact O-N 3.4Å; R27-I29 VanDerWaalsContact C-N 3.35Å; R27-I29 PolarHBondContact O-N 3.2Å; I29-T31 PolarHBondContact O-N 2.94Å; I29-L32 HydrophobicContact CD1-CD1 4.33Å; I29-L32 PolarHBondContact O-N 3.29Å; I29-R33 WeakPolarHBondContact O-CB 3.33Å; I29-R33 PolarHBondContact O-N 2.56Å; I29-S41 WeakPolarHBondContact CG2-OG 3.27Å; I29-L43 HydrophobicContact CD1-CB 3.82Å; I29-L43 HydrophobicContact CG1-CB 3.87Å; I29-A55 HydrophobicContact CB-CB 4.48Å; I29-A55 HydrophobicContact CG1-CB 3.95Å; I29-D57 HydrophobicContact CG2-CB 3.47Å; I29-D57 VanDerWaalsContact CG2-CB 3.47Å; I29-L128 HydrophobicContact CD1-CD1 3.34Å
30T87.8Confident82Confident40 Ų4051.7 Ų51.725%0.24525%0.251CS..Hα-helixtrans-64.8-40.5176.5-66.30000113Q26 R27 L28 R33 Q34 D57Q26-T30 PolarHBondContact O-N 3.05Å; Q26-T30 PolarHBondContact O-OG1 3.36Å; R27-T30 PolarHBondContact O-N 3.22Å; L28-T30 VanDerWaalsContact C-N 3.34Å; L28-T30 PolarHBondContact O-N 3.34Å; T30-R33 PolarHBondContact O-N 2.93Å; T30-Q34 WeakPolarHBondContact O-CG 3.37Å; T30-Q34 PolarHBondContact O-N 2.7Å; T30-Q34 VanDerWaalsContact O-N 3.12Å; T30-D57 VanDerWaalsContact CA-OD2 3.24Å; T30-D57 WeakPolarHBondContact CA-OD2 3.25Å; T30-D57 WeakPolarHBondContact CB-OD2 3.28Å; T30-D57 PolarHBondContact OG1-OD2 3.22Å
31T84.8Confident83.3Confident25 Ų2550.3 Ų50.315%0.15324%0.236CC..Hα-helixtrans-63.8-46174.3-59.60000110.9I11 R27 L28 I29 R33 Q34 V35I11-T31 HydrophobicContact CG1-CG2 4.06Å; R27-T31 PolarHBondContact O-N 2.81Å; R27-T31 PolarHBondContact O-OG1 3.43Å; R27-T31 VanDerWaalsContact O-OG1 3.08Å; L28-T31 PolarHBondContact O-N 3.07Å; I29-T31 PolarHBondContact O-N 2.94Å; T31-R33 VanDerWaalsContact C-N 3.31Å; T31-R33 PolarHBondContact O-N 2.97Å; T31-Q34 PolarHBondContact O-N 3.45Å; T31-V35 HydrophobicContact CG2-CG2 4.08Å; T31-V35 VanDerWaalsContact O-CB 3.26Å; T31-V35 WeakPolarHBondContact O-CB 3.4Å; T31-V35 WeakPolarHBondContact O-CG2 3.47Å; T31-V35 PolarHBondContact O-N 2.9Å
32L84.8Confident84.5Confident0 Ų047.8 Ų47.80%023%0.225CC..Hα-helixtrans-59.9-42.8177.6-72.7174.3000111.5I11 L28 I29 Q34 V35 L36 L128 I149I11-L32 HydrophobicContact CD1-CD2 3.76Å; I11-L32 HydrophobicContact CG1-CD2 4.31Å; L28-L32 HydrophobicContact CD1-CD1 3.95Å; L28-L32 HydrophobicContact CD1-CG 4.19Å; L28-L32 HydrophobicContact CG-CD1 3.91Å; L28-L32 HydrophobicContact CG-CG 4.47Å; L28-L32 WeakPolarHBondContact O-CB 3.21Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.39Å; L28-L32 PolarHBondContact O-N 2.87Å; I29-L32 HydrophobicContact CD1-CD1 4.33Å; I29-L32 PolarHBondContact O-N 3.29Å; L32-Q34 VanDerWaalsContact C-N 3.34Å; L32-Q34 PolarHBondContact O-N 3.08Å; L32-V35 PolarHBondContact O-N 2.89Å; L32-L36 HydrophobicContact CB-CD1 4.28Å; L32-L36 HydrophobicContact CD2-CD1 4.22Å; L32-L36 WeakPolarHBondContact O-CB 3.39Å; L32-L36 WeakPolarHBondContact O-CG 3.38Å; L32-L36 PolarHBondContact O-N 3.34Å; L32-L128 HydrophobicContact CD1-CD1 4.11Å; L32-L128 HydrophobicContact CD1-CD2 3.6Å; L32-I149 HydrophobicContact CD1-CG2 4.22Å; L32-I149 HydrophobicContact CD2-CD1 4.42Å; L32-I149 HydrophobicContact CD2-CG1 4.34Å; L32-I149 HydrophobicContact CD2-CG2 3.58Å
33R86.6Confident85.7Confident81 Ų8143.3 Ų43.331%0.30620%0.203SC..Hα-helixtrans-59.7-43.3177-168179.2175.6-116-9.9112.8I29 T30 T31 E37 C38 D39 D57I29-R33 WeakPolarHBondContact O-CB 3.33Å; I29-R33 PolarHBondContact O-N 2.56Å; T30-R33 PolarHBondContact O-N 2.93Å; T31-R33 VanDerWaalsContact C-N 3.31Å; T31-R33 PolarHBondContact O-N 2.97Å; R33-E37 CarbonylContact O-C 3.56Å; R33-E37 WeakPolarHBondContact O-CA 3.48Å; R33-E37 PolarHBondContact O-N 3.48Å; R33-E37 VanDerWaalsContact O-N 3.13Å; R33-C38 VanDerWaalsContact CA-SG 3.58Å; R33-C38 WeakPolarHBondContact CG-O 3.42Å; R33-C38 PolarHBondContact NE-O 3.12Å; R33-C38 PolarHBondContact O-N 2.79Å; R33-C38 VanDerWaalsContact O-N 3.12Å; R33-D39 VanDerWaalsContact CZ-O 3.26Å; R33-D39 PolarHBondContact NE-O 3.04Å; R33-D39 PolarHBondContact NH2-O 3.21Å; R33-D57 IonicContact NH1-OD1 3.49Å; R33-D57 PolarHBondContact NH1-OD1 3.49Å
34Q85.3Confident86.7Confident144 Ų14438.7 Ų38.767%0.67318%0.179SC*.Hα-helixtrans-68.5-41.5177.6-72.2175.7-3.700112.5T30 T31 L32T30-Q34 WeakPolarHBondContact O-CG 3.37Å; T30-Q34 PolarHBondContact O-N 2.7Å; T30-Q34 VanDerWaalsContact O-N 3.12Å; T31-Q34 PolarHBondContact O-N 3.45Å; L32-Q34 VanDerWaalsContact C-N 3.34Å; L32-Q34 PolarHBondContact O-N 3.08Å
35V82.7Confident87.4Confident45 Ų4538.1 Ų38.127%0.27318%0.177SC..Hα-helixtrans-75.1-40.7-174.3162.10000112.3F3 V7 T31 L32 E37F3-V35 HydrophobicContact CD1-CG1 4.4Å; F3-V35 HydrophobicContact CE1-CG1 3.48Å; F3-V35 VanDerWaalsContact CE1-CG1 3.48Å; F3-V35 HydrophobicContact CZ-CG1 4.24Å; V7-V35 HydrophobicContact CG1-CB 4.2Å; V7-V35 HydrophobicContact CG1-CG1 3.26Å; V7-V35 HydrophobicContact CG1-CG2 3.82Å; T31-V35 HydrophobicContact CG2-CG2 4.08Å; T31-V35 VanDerWaalsContact O-CB 3.26Å; T31-V35 WeakPolarHBondContact O-CB 3.4Å; T31-V35 WeakPolarHBondContact O-CG2 3.47Å; T31-V35 PolarHBondContact O-N 2.9Å; L32-V35 PolarHBondContact O-N 2.89Å; V35-E37 VanDerWaalsContact C-N 3.28Å
36L83.6Confident87.8Confident2 Ų240.3 Ų40.31%0.0119%0.185CC..THydrogen-bonded Turntrans-88.5-1.2179.7-65.7166.8000112.3F3 L32 C38 L130 F141 I149F3-L36 HydrophobicContact CE2-CD2 4.41Å; F3-L36 HydrophobicContact CZ-CD2 3.63Å; L32-L36 HydrophobicContact CB-CD1 4.28Å; L32-L36 HydrophobicContact CD2-CD1 4.22Å; L32-L36 WeakPolarHBondContact O-CB 3.39Å; L32-L36 WeakPolarHBondContact O-CG 3.38Å; L32-L36 PolarHBondContact O-N 3.34Å; L36-C38 HydrophobicContact CB-CB 4.5Å; L36-C38 PolarHBondContact O-N 2.73Å; L36-C38 VanDerWaalsContact O-N 3.1Å; L36-L130 HydrophobicContact CD1-CD1 3.62Å; L36-L130 HydrophobicContact CD1-CD2 3.77Å; L36-L130 HydrophobicContact CD1-CG 4.33Å; L36-F141 HydrophobicContact CB-CE2 4.44Å; L36-F141 HydrophobicContact CB-CZ 4.47Å; L36-F141 HydrophobicContact CD2-CD1 4.1Å; L36-F141 HydrophobicContact CD2-CD2 4.08Å; L36-F141 HydrophobicContact CD2-CE1 3.85Å; L36-F141 HydrophobicContact CD2-CE2 3.83Å; L36-F141 HydrophobicContact CD2-CG 4.21Å; L36-F141 HydrophobicContact CD2-CZ 3.72Å; L36-I149 HydrophobicContact CD1-CD1 4.12Å; L36-I149 HydrophobicContact CD2-CD1 3.87Å; L36-I149 HydrophobicContact CG-CD1 4.36Å
37E84.1Confident88Confident155 Ų15539.5 Ų39.572%0.72418%0.183SC*.THydrogen-bonded Turntrans50.232.1-173.5-58.5-174.9171.200112.7R33 V35 Q137R33-E37 CarbonylContact O-C 3.56Å; R33-E37 WeakPolarHBondContact O-CA 3.48Å; R33-E37 PolarHBondContact O-N 3.48Å; R33-E37 VanDerWaalsContact O-N 3.13Å; V35-E37 VanDerWaalsContact C-N 3.28Å; E37-Q137 PolarHBondContact O-NE2 3.45Å
38C84Confident88.1Confident5 Ų538.1 Ų38.13%0.03419%0.191CC..  trans-80.3151.8-177.578.60000111.6R33 L36 A40 F138R33-C38 VanDerWaalsContact CA-SG 3.58Å; R33-C38 WeakPolarHBondContact CG-O 3.42Å; R33-C38 PolarHBondContact NE-O 3.12Å; R33-C38 PolarHBondContact O-N 2.79Å; R33-C38 VanDerWaalsContact O-N 3.12Å; L36-C38 HydrophobicContact CB-CB 4.5Å; L36-C38 PolarHBondContact O-N 2.73Å; L36-C38 VanDerWaalsContact O-N 3.1Å; C38-A40 PolarHBondContact SG-O 3.01Å; C38-F138 HydrophobicContact CB-CE1 3.64Å; C38-F138 HydrophobicContact CB-CZ 3.73Å
39D85Confident88.5Confident49 Ų4946.4 Ų46.426%0.26222%0.222SC..SBendtrans-79.7-36.7-178.5-70.6-73.4000111.5R33 G58 D131 M133 Q137R33-D39 VanDerWaalsContact CZ-O 3.26Å; R33-D39 PolarHBondContact NE-O 3.04Å; R33-D39 PolarHBondContact NH2-O 3.21Å; D39-G58 WeakPolarHBondContact O-CA 3.35Å; D39-D131 PolarHBondContact N-O 3.11Å; D39-M133 HydrophobicContact CB-CG 3.98Å; D39-M133 WeakPolarHBondContact OD2-CB 3.39Å; D39-M133 WeakPolarHBondContact OD2-CG 3.38Å; D39-M133 PolarHBondContact OD2-N 2.98Å; D39-Q137 PolarHBondContact OD2-NE2 2.95Å; D39-Q137 VanDerWaalsContact OD2-NE2 3.12Å; D39-Q137 PolarHBondContact OD2-OE1 3.38Å
40A89.3Confident88.7Confident0 Ų048.5 Ų48.50%023%0.232CC..EExtended strand (participates in β ladder)trans-141.1151.5176.700000111.2C38 D57 L59 I102 D131C38-A40 PolarHBondContact SG-O 3.01Å; A40-D57 CarbonylContact C-O 3.54Å; A40-D57 VanDerWaalsContact CA-O 3.31Å; A40-D57 WeakPolarHBondContact CA-O 3.45Å; A40-L59 HydrophobicContact CB-CD2 3.69Å; A40-L59 HydrophobicContact CB-CG 3.78Å; A40-I102 HydrophobicContact CB-CD1 4.29Å; A40-I102 HydrophobicContact CB-CG1 4.3Å; A40-D131 HydrophobicContact CB-CB 4.06Å; A40-D131 PolarHBondContact N-O 2.62Å; A40-D131 VanDerWaalsContact N-O 3.1Å; A40-D131 PolarHBondContact O-N 2.72Å
41S92Very high89Confident0 Ų046.6 Ų46.60%022%0.22CC..EExtended strand (participates in β ladder)trans-150.6149.1172.9540000111.7I29 I56 D57 T129I29-S41 WeakPolarHBondContact CG2-OG 3.27Å; S41-I56 WeakPolarHBondContact O-CA 3.44Å; S41-D57 PolarHBondContact N-O 2.95Å; S41-D57 PolarHBondContact O-N 2.96Å; S41-T129 WeakPolarHBondContact CA-O 3.12Å; S41-T129 WeakPolarHBondContact CB-O 2.94Å
42A93.8Very high89.4Confident0 Ų045.7 Ų45.70%022%0.215CC..EExtended strand (participates in β ladder)trans-139.9135.2176.500000111.7L44 A55 I56 L59 L128 T129A42-L44 HydrophobicContact CB-CD2 4.21Å; A42-A55 WeakPolarHBondContact CA-O 3.3Å; A42-I56 HydrophobicContact CB-CG2 3.93Å; A42-L59 HydrophobicContact CB-CD1 3.93Å; A42-L128 WeakPolarHBondContact O-CA 3.47Å; A42-T129 WeakPolarHBondContact CB-OG1 3.11Å; A42-T129 PolarHBondContact N-O 3Å; A42-T129 PolarHBondContact O-N 3.25Å
43L94.6Very high89.9Confident0 Ų046.1 Ų46.10%022%0.217CC..EExtended strand (participates in β ladder)trans-95.4124.9165.8-176.165.9000108.7F25 L28 I29 L54 A55 L118F25-L43 HydrophobicContact CB-CD2 3.88Å; F25-L43 HydrophobicContact CD1-CD2 3.25Å; F25-L43 HydrophobicContact CD2-CD2 4.39Å; F25-L43 HydrophobicContact CE1-CD2 3.76Å; F25-L43 HydrophobicContact CG-CD2 3.61Å; F25-L43 HydrophobicContact CZ-CD2 4.49Å; L28-L43 HydrophobicContact CD2-CD2 4.38Å; I29-L43 HydrophobicContact CD1-CB 3.82Å; I29-L43 HydrophobicContact CG1-CB 3.87Å; L43-L54 HydrophobicContact CD2-CB 4.48Å; L43-L54 HydrophobicContact CD2-CD1 4.33Å; L43-L54 HydrophobicContact CG-CD1 4.47Å; L43-L54 PolarHBondContact O-N 2.75Å; L43-A55 HydrophobicContact CB-CB 4.39Å; L43-A55 PolarHBondContact N-O 2.96Å; L43-A55 PolarHBondContact O-N 3.39Å; L43-L118 HydrophobicContact CD1-CD1 3.48Å; L43-L118 VanDerWaalsContact CD1-CD1 3.48Å
44L95.2Very high90.1Very high0 Ų044 Ų440%021%0.211CC..EExtended strand (participates in β ladder)trans-118133.8-177.1-52.8174.6000110.1A42 F51 I52 P53 F68 L76 G126 A127 T129A42-L44 HydrophobicContact CB-CD2 4.21Å; L44-F51 HydrophobicContact CB-CB 4.03Å; L44-F51 HydrophobicContact CB-CD1 3.65Å; L44-F51 HydrophobicContact CB-CG 4.16Å; L44-F51 HydrophobicContact CD1-CB 3.92Å; L44-F51 HydrophobicContact CD1-CD1 4.19Å; L44-F51 HydrophobicContact CD1-CG 4.04Å; L44-F51 HydrophobicContact CG-CB 4.42Å; L44-I52 CarbonylContact C-O 3.55Å; L44-I52 WeakPolarHBondContact CA-O 3.36Å; L44-P53 HydrophobicContact CD2-CB 3.86Å; L44-P53 HydrophobicContact CD2-CG 3.65Å; L44-F68 HydrophobicContact CD2-CD2 4.47Å; L44-F68 HydrophobicContact CD2-CE2 4.44Å; L44-L76 HydrophobicContact CD1-CD2 3.66Å; L44-G126 CarbonylContact O-C 3.56Å; L44-G126 WeakPolarHBondContact O-CA 3.32Å; L44-A127 HydrophobicContact CB-CB 4.46Å; L44-A127 WeakPolarHBondContact CB-O 3.37Å; L44-A127 HydrophobicContact CD1-CB 4.36Å; L44-A127 PolarHBondContact N-O 3.49Å; L44-A127 PolarHBondContact O-N 3.37Å; L44-T129 HydrophobicContact CD1-CG2 4.09Å
45R94.2Very high90.5Very high54 Ų5437.1 Ų37.120%0.20418%0.179CC..EExtended strand (participates in β ladder)trans-84.8133.3164.4-176.5170.374-179.69.8109.3F51 I52 L54 L161 E164R45-F51 CarbonylContact O-C 3.55Å; R45-F51 WeakPolarHBondContact O-CA 3.34Å; R45-I52 HydrophobicContact CB-CB 4.44Å; R45-I52 PolarHBondContact N-O 3.15Å; R45-I52 PolarHBondContact O-N 3.43Å; R45-L54 HydrophobicContact CB-CD1 3.88Å; R45-L54 HydrophobicContact CB-CD2 4.09Å; R45-L54 HydrophobicContact CB-CG 3.92Å; R45-L161 HydrophobicContact CG-CD2 4.5Å; R45-E164 IonicContact NH1-OE1 3.82Å; R45-E164 IonicContact NH1-OE2 3.72Å
46Y94.2Very high90.9Very high61 Ų6135.5 Ų35.524%0.23917%0.169CC..EExtended strand (participates in β ladder)trans-90.3125.5169.2-176.3-106.9000109.3R49 F51 L70 L124 I125Y46-R49 WeakPolarHBondContact OH-CA 2.97Å; Y46-F51 HydrophobicContact CD2-CD1 4.18Å; Y46-F51 HydrophobicContact CD2-CD2 4.48Å; Y46-F51 AromaticContact CD2-CE1 3.86Å; Y46-F51 HydrophobicContact CD2-CE1 3.86Å; Y46-F51 HydrophobicContact CD2-CE2 4.2Å; Y46-F51 HydrophobicContact CD2-CG 4.49Å; Y46-F51 AromaticContact CD2-CZ 3.89Å; Y46-F51 HydrophobicContact CD2-CZ 3.89Å; Y46-F51 HydrophobicContact CG-CE1 4.23Å; Y46-L70 HydrophobicContact CE2-CD1 3.83Å; Y46-L70 HydrophobicContact CE2-CD2 4.37Å; Y46-L70 HydrophobicContact CE2-CG 4.2Å; Y46-L124 HydrophobicContact CD1-CB 4.23Å; Y46-L124 HydrophobicContact CD1-CD2 3.86Å; Y46-L124 HydrophobicContact CD1-CG 4.06Å; Y46-L124 WeakPolarHBondContact CD1-O 3.49Å; Y46-L124 HydrophobicContact CD2-CD2 3.91Å; Y46-L124 HydrophobicContact CE1-CD2 4.09Å; Y46-L124 HydrophobicContact CE2-CD2 4.16Å; Y46-L124 HydrophobicContact CG-CD2 3.74Å; Y46-L124 HydrophobicContact CG-CG 4.04Å; Y46-I125 PolarHBondContact N-O 3.41Å
47D89.8Confident91.3Very high52 Ų5237 Ų3728%0.27818%0.177SC..EExtended strand (participates in β ladder)trans-150.9132.9178.9175.713.7000108.3R49 Q50 I52D47-R49 VanDerWaalsContact C-N 3.3Å; D47-R49 PolarHBondContact O-N 3.09Å; D47-R49 VanDerWaalsContact O-N 3.08Å; D47-Q50 PolarHBondContact N-O 3.25Å; D47-Q50 WeakPolarHBondContact O-CG 3.33Å; D47-Q50 PolarHBondContact O-N 2.91Å; D47-I52 HydrophobicContact CB-CD1 3.89Å
48S86.7Confident91.6Very high86 Ų8630.4 Ų30.460%0.60115%0.151SC*.THydrogen-bonded Turntrans49.443169.2-57.90000115.5Q50S48-Q50 VanDerWaalsContact C-N 3.31Å; S48-Q50 PolarHBondContact O-N 2.88Å
49R90.9Very high91.8Very high176 Ų17630.9 Ų30.966%0.66415%0.153SC*.THydrogen-bonded Turntrans61.629.9-176.2-59.7-172.9171.9-171.2-1.9115.1Y46 D47 L70Y46-R49 WeakPolarHBondContact OH-CA 2.97Å; D47-R49 VanDerWaalsContact C-N 3.3Å; D47-R49 PolarHBondContact O-N 3.09Å; D47-R49 VanDerWaalsContact O-N 3.08Å; R49-L70 WeakPolarHBondContact O-CG 3.38Å; R49-L70 PolarHBondContact O-N 2.97Å
50Q92.5Very high92.1Very high44 Ų4428.6 Ų28.621%0.20614%0.142CC..EExtended strand (participates in β ladder)trans-138.4155.1171.254.6174.76.400110.9D47 S48 I52 F68D47-Q50 PolarHBondContact N-O 3.25Å; D47-Q50 WeakPolarHBondContact O-CG 3.33Å; D47-Q50 PolarHBondContact O-N 2.91Å; S48-Q50 VanDerWaalsContact C-N 3.31Å; S48-Q50 PolarHBondContact O-N 2.88Å; Q50-I52 HydrophobicContact CG-CG1 4.49Å; Q50-F68 CarbonylContact C-O 3.55Å; Q50-F68 VanDerWaalsContact CA-O 3.24Å; Q50-F68 WeakPolarHBondContact CA-O 3.3Å
51F94.8Very high92.1Very high0 Ų034 Ų340%017%0.165CC..EExtended strand (participates in β ladder)trans-98.3132.6166.8-75.8-72.1000111L44 R45 Y46 F68 L70 L76 A80 L124 A127L44-F51 HydrophobicContact CB-CB 4.03Å; L44-F51 HydrophobicContact CB-CD1 3.65Å; L44-F51 HydrophobicContact CB-CG 4.16Å; L44-F51 HydrophobicContact CD1-CB 3.92Å; L44-F51 HydrophobicContact CD1-CD1 4.19Å; L44-F51 HydrophobicContact CD1-CG 4.04Å; L44-F51 HydrophobicContact CG-CB 4.42Å; R45-F51 CarbonylContact O-C 3.55Å; R45-F51 WeakPolarHBondContact O-CA 3.34Å; Y46-F51 HydrophobicContact CD2-CD1 4.18Å; Y46-F51 HydrophobicContact CD2-CD2 4.48Å; Y46-F51 AromaticContact CD2-CE1 3.86Å; Y46-F51 HydrophobicContact CD2-CE1 3.86Å; Y46-F51 HydrophobicContact CD2-CE2 4.2Å; Y46-F51 HydrophobicContact CD2-CG 4.49Å; Y46-F51 AromaticContact CD2-CZ 3.89Å; Y46-F51 HydrophobicContact CD2-CZ 3.89Å; Y46-F51 HydrophobicContact CG-CE1 4.23Å; F51-F68 HydrophobicContact CB-CB 4.24Å; F51-F68 PolarHBondContact N-O 2.96Å; F51-F68 PolarHBondContact O-N 2.85Å; F51-L70 HydrophobicContact CD2-CD2 3.73Å; F51-L70 HydrophobicContact CE2-CD2 3.56Å; F51-L76 HydrophobicContact CB-CD1 4.46Å; F51-L76 HydrophobicContact CD2-CB 3.8Å; F51-L76 HydrophobicContact CD2-CD1 4.24Å; F51-L76 HydrophobicContact CD2-CD2 4.19Å; F51-L76 HydrophobicContact CD2-CG 4.31Å; F51-L76 HydrophobicContact CE2-CB 4Å; F51-L76 WeakPolarHBondContact CE2-O 3.28Å; F51-A80 HydrophobicContact CE2-CB 4.05Å; F51-A80 HydrophobicContact CZ-CB 4.06Å; F51-L124 HydrophobicContact CZ-CD2 4.27Å; F51-A127 HydrophobicContact CD1-CB 4.11Å; F51-A127 HydrophobicContact CE1-CB 3.45Å; F51-A127 VanDerWaalsContact CE1-CB 3.45Å; F51-A127 HydrophobicContact CZ-CB 3.76Å
52I93.8Very high92.1Very high6 Ų634 Ų343%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-116116.1180-56.5167.4000107.7L44 R45 D47 Q50 L54L44-I52 CarbonylContact C-O 3.55Å; L44-I52 WeakPolarHBondContact CA-O 3.36Å; R45-I52 HydrophobicContact CB-CB 4.44Å; R45-I52 PolarHBondContact N-O 3.15Å; R45-I52 PolarHBondContact O-N 3.43Å; D47-I52 HydrophobicContact CB-CD1 3.89Å; Q50-I52 HydrophobicContact CG-CG1 4.49Å; I52-L54 PolarHBondContact O-N 3.25Å
53P94.4Very high92Very high8 Ų834 Ų345%0.05217%0.165CC..EExtended strand (participates in β ladder)trans-64.2129.2176.8-24.337.3000112.2L44 I56 V63 L64 R66 F68L44-P53 HydrophobicContact CD2-CB 3.86Å; L44-P53 HydrophobicContact CD2-CG 3.65Å; P53-I56 HydrophobicContact CB-CG2 4.45Å; P53-V63 HydrophobicContact CB-CG1 4.48Å; P53-V63 HydrophobicContact CG-CG1 4.21Å; P53-V63 WeakPolarHBondContact CG-O 3.37Å; P53-L64 HydrophobicContact CB-CD2 4.3Å; P53-R66 WeakPolarHBondContact CD-O 3.42Å; P53-F68 HydrophobicContact CG-CD2 4.07Å; P53-F68 HydrophobicContact CG-CE2 3.59Å
54L91.8Very high91.9Very high36 Ų3635.6 Ų35.619%0.18817%0.173CC..EExtended strand (participates in β ladder)trans-102.1-40.3177.4-66.7-177.7000112F25 L43 R45 I52 L157F25-L54 HydrophobicContact CD2-CB 4.29Å; F25-L54 HydrophobicContact CD2-CD1 4.25Å; F25-L54 HydrophobicContact CE2-CD1 3.92Å; F25-L54 HydrophobicContact CZ-CD1 4.27Å; L43-L54 HydrophobicContact CD2-CB 4.48Å; L43-L54 HydrophobicContact CD2-CD1 4.33Å; L43-L54 HydrophobicContact CG-CD1 4.47Å; L43-L54 PolarHBondContact O-N 2.75Å; R45-L54 HydrophobicContact CB-CD1 3.88Å; R45-L54 HydrophobicContact CB-CD2 4.09Å; R45-L54 HydrophobicContact CB-CG 3.92Å; I52-L54 PolarHBondContact O-N 3.25Å; L54-L157 HydrophobicContact CD1-CD1 3.43Å; L54-L157 VanDerWaalsContact CD1-CD1 3.43Å
55A92.2Very high91.8Very high0 Ų035.6 Ų35.60%017%0.173CC..EExtended strand (participates in β ladder)trans-149.2148.6178.300000109.7F25 I29 A42 L43F25-A55 HydrophobicContact CB-CB 3.66Å; F25-A55 WeakPolarHBondContact O-CB 3.47Å; I29-A55 HydrophobicContact CB-CB 4.48Å; I29-A55 HydrophobicContact CG1-CB 3.95Å; A42-A55 WeakPolarHBondContact CA-O 3.3Å; L43-A55 HydrophobicContact CB-CB 4.39Å; L43-A55 PolarHBondContact N-O 2.96Å; L43-A55 PolarHBondContact O-N 3.39Å
56I93Very high91.8Very high11 Ų1133.2 Ų33.26%0.05616%0.164CC..EExtended strand (participates in β ladder)trans-142.4149.3179.362.5172.7000110.2Q26 S41 A42 P53 L59 A60 V63 L64Q26-I56 PolarHBondContact NE2-O 3.02Å; Q26-I56 PolarHBondContact OE1-O 3.18Å; S41-I56 WeakPolarHBondContact O-CA 3.44Å; A42-I56 HydrophobicContact CB-CG2 3.93Å; P53-I56 HydrophobicContact CB-CG2 4.45Å; I56-L59 HydrophobicContact CB-CB 4.21Å; I56-L59 HydrophobicContact CB-CD1 4.31Å; I56-L59 HydrophobicContact CD1-CB 4.07Å; I56-L59 HydrophobicContact CG2-CD1 4.15Å; I56-A60 VanDerWaalsContact CD1-O 3.25Å; I56-A60 WeakPolarHBondContact CD1-O 3.45Å; I56-V63 HydrophobicContact CD1-CB 4.05Å; I56-V63 HydrophobicContact CG2-CB 4.5Å; I56-V63 HydrophobicContact CG2-CG1 3.99Å; I56-L64 HydrophobicContact CD1-CD1 4.18Å; I56-L64 HydrophobicContact CD1-CD2 4.49Å; I56-L64 HydrophobicContact CD1-CG 3.75Å; I56-L64 HydrophobicContact CG1-CD1 4.1Å; I56-L64 HydrophobicContact CG1-CD2 4.09Å; I56-L64 HydrophobicContact CG1-CG 3.8Å; I56-L64 HydrophobicContact CG2-CD2 4.06Å; I56-L64 HydrophobicContact CG2-CG 4.39Å
57D91.5Very high91.7Very high33 Ų3331.6 Ų31.618%0.17616%0.158CC..EExtended strand (participates in β ladder)trans-142.2142.7167.6-165.4-7.4000108.8I29 T30 R33 A40 S41 L59I29-D57 HydrophobicContact CG2-CB 3.47Å; I29-D57 VanDerWaalsContact CG2-CB 3.47Å; T30-D57 VanDerWaalsContact CA-OD2 3.24Å; T30-D57 WeakPolarHBondContact CA-OD2 3.25Å; T30-D57 WeakPolarHBondContact CB-OD2 3.28Å; T30-D57 PolarHBondContact OG1-OD2 3.22Å; R33-D57 IonicContact NH1-OD1 3.49Å; R33-D57 PolarHBondContact NH1-OD1 3.49Å; A40-D57 CarbonylContact C-O 3.54Å; A40-D57 VanDerWaalsContact CA-O 3.31Å; A40-D57 WeakPolarHBondContact CA-O 3.45Å; S41-D57 PolarHBondContact N-O 2.95Å; S41-D57 PolarHBondContact O-N 2.96Å; D57-L59 PolarHBondContact O-N 3.34Å; D57-L59 VanDerWaalsContact O-N 3.17Å
58G89Confident91.9Very high18 Ų1829.1 Ų29.119%0.18615%0.145CC..SBendtrans72.9-7.5-172.200000115.7D39 P103D39-G58 WeakPolarHBondContact O-CA 3.35Å; G58-P103 VanDerWaalsContact O-CD 3.28Å; G58-P103 WeakPolarHBondContact O-CD 3.19Å
59L89.9Confident92.1Very high14 Ų1426.6 Ų26.67%0.07313%0.129CC..SBendtrans-100.2159.1177-66.5171.1000112.4A40 A42 I56 D57 V63 Y98 I102A40-L59 HydrophobicContact CB-CD2 3.69Å; A40-L59 HydrophobicContact CB-CG 3.78Å; A42-L59 HydrophobicContact CB-CD1 3.93Å; I56-L59 HydrophobicContact CB-CB 4.21Å; I56-L59 HydrophobicContact CB-CD1 4.31Å; I56-L59 HydrophobicContact CD1-CB 4.07Å; I56-L59 HydrophobicContact CG2-CD1 4.15Å; D57-L59 PolarHBondContact O-N 3.34Å; D57-L59 VanDerWaalsContact O-N 3.17Å; L59-V63 HydrophobicContact CB-CG2 4.23Å; L59-V63 HydrophobicContact CD1-CG1 4.29Å; L59-Y98 HydrophobicContact CD1-CD1 3.86Å; L59-Y98 HydrophobicContact CD1-CE1 3.95Å; L59-Y98 HydrophobicContact CD1-CG 4.24Å; L59-Y98 HydrophobicContact CD2-CD1 4.17Å; L59-Y98 HydrophobicContact CD2-CG 4.04Å; L59-I102 HydrophobicContact CD2-CG1 4.12Å
60A89.7Confident92.2Very high2 Ų219 Ų192%0.01710%0.102CC..  trans-63.614017300000113I56 D62 V63 L101I56-A60 VanDerWaalsContact CD1-O 3.25Å; I56-A60 WeakPolarHBondContact CD1-O 3.45Å; A60-D62 VanDerWaalsContact CB-OD1 3.26Å; A60-D62 WeakPolarHBondContact CB-OD1 3.39Å; A60-D62 PolarHBondContact O-N 3.37Å; A60-V63 VanDerWaalsContact O-CB 3.28Å; A60-V63 WeakPolarHBondContact O-CB 3.46Å; A60-V63 WeakPolarHBondContact O-CG2 3.39Å; A60-V63 PolarHBondContact O-N 2.85Å; A60-L101 WeakPolarHBondContact CB-O 3.3Å; A60-L101 PolarHBondContact N-O 2.86Å
61K90Very high92Very high112 Ų11225.1 Ų25.149%0.48713%0.13SC..G310 helixtrans-53.4-30.8-179.5-73-170.3170.7-1680114.5V63 L64 D363 I366K61-V63 PolarHBondContact O-N 3.46Å; K61-L64 PolarHBondContact O-N 3.23Å; K61-D363 IonicContact NZ-OD2 3.09Å; K61-D363 PolarHBondContact NZ-OD2 3.34Å; K61-I366 HydrophobicContact CB-CG2 3.81Å
62D91.6Very high91.5Very high0 Ų026 Ų260%014%0.14CC..G310 helixtrans-67.1-18.8179.363.2-77000113A60 L64 G65 R66 I366 G370 L387 R392A60-D62 VanDerWaalsContact CB-OD1 3.26Å; A60-D62 WeakPolarHBondContact CB-OD1 3.39Å; A60-D62 PolarHBondContact O-N 3.37Å; D62-L64 VanDerWaalsContact C-N 3.27Å; D62-L64 PolarHBondContact O-N 3.36Å; D62-G65 PolarHBondContact O-N 3.3Å; D62-R66 IonicContact OD2-CZ 2.72Å; D62-R66 IonicContact OD2-NE 3.52Å; D62-R66 PolarHBondContact OD2-NE 3.14Å; D62-R66 IonicContact OD2-NH2 2.83Å; D62-R66 PolarHBondContact OD2-NH2 2.95Å; D62-I366 HydrophobicContact CB-CG2 3.82Å; D62-I366 WeakPolarHBondContact CB-O 3.27Å; D62-G370 WeakPolarHBondContact O-CA 3.45Å; D62-L387 HydrophobicContact CB-CD1 4.07Å; D62-R392 IonicContact OD1-CZ 2.77Å; D62-R392 IonicContact OD1-NE 2.99Å; D62-R392 PolarHBondContact OD1-NE 3.37Å; D62-R392 IonicContact OD1-NH2 2.62Å; D62-R392 PolarHBondContact OD1-NH2 3.35Å
63V92.8Very high91.4Very high0 Ų026 Ų260%014%0.14CC..G310 helixtrans-57.6-39.3174.3174.90000111.5P53 I56 L59 A60 K61 G65 R66 F68 Y98 L101P53-V63 HydrophobicContact CB-CG1 4.48Å; P53-V63 HydrophobicContact CG-CG1 4.21Å; P53-V63 WeakPolarHBondContact CG-O 3.37Å; I56-V63 HydrophobicContact CD1-CB 4.05Å; I56-V63 HydrophobicContact CG2-CB 4.5Å; I56-V63 HydrophobicContact CG2-CG1 3.99Å; L59-V63 HydrophobicContact CB-CG2 4.23Å; L59-V63 HydrophobicContact CD1-CG1 4.29Å; A60-V63 VanDerWaalsContact O-CB 3.28Å; A60-V63 WeakPolarHBondContact O-CB 3.46Å; A60-V63 WeakPolarHBondContact O-CG2 3.39Å; A60-V63 PolarHBondContact O-N 2.85Å; K61-V63 PolarHBondContact O-N 3.46Å; V63-G65 PolarHBondContact O-N 3.11Å; V63-R66 WeakPolarHBondContact O-CB 3.26Å; V63-R66 PolarHBondContact O-N 3.15Å; V63-F68 HydrophobicContact CG1-CE2 4.39Å; V63-F68 HydrophobicContact CG1-CZ 4.22Å; V63-Y98 HydrophobicContact CG1-CD1 4.26Å; V63-Y98 HydrophobicContact CG1-CE1 3.91Å; V63-L101 HydrophobicContact CG2-CB 3.95Å; V63-L101 HydrophobicContact CG2-CD1 3.62Å; V63-L101 HydrophobicContact CG2-CG 4.32Å
64L92.4Very high91.1Very high35 Ų3527.8 Ų27.818%0.18315%0.151CC..G310 helixtrans-57.8-25.4178.2-74.9170.3000113.5P53 I56 K61 D62 R67 L367P53-L64 HydrophobicContact CB-CD2 4.3Å; I56-L64 HydrophobicContact CD1-CD1 4.18Å; I56-L64 HydrophobicContact CD1-CD2 4.49Å; I56-L64 HydrophobicContact CD1-CG 3.75Å; I56-L64 HydrophobicContact CG1-CD1 4.1Å; I56-L64 HydrophobicContact CG1-CD2 4.09Å; I56-L64 HydrophobicContact CG1-CG 3.8Å; I56-L64 HydrophobicContact CG2-CD2 4.06Å; I56-L64 HydrophobicContact CG2-CG 4.39Å; K61-L64 PolarHBondContact O-N 3.23Å; D62-L64 VanDerWaalsContact C-N 3.27Å; D62-L64 PolarHBondContact O-N 3.36Å; L64-R67 PolarHBondContact O-NH1 3.26Å; L64-R67 VanDerWaalsContact O-NH1 3.15Å; L64-L367 HydrophobicContact CB-CD2 3.43Å; L64-L367 VanDerWaalsContact CB-CD2 3.43Å; L64-L367 HydrophobicContact CD1-CD2 4.45Å
65G91.7Very high91Very high0 Ų026.7 Ų26.70%014%0.144CC..G310 helixtrans-84.9-17.4175.900000115.4D62 V63 R67 L367 Y371D62-G65 PolarHBondContact O-N 3.3Å; V63-G65 PolarHBondContact O-N 3.11Å; G65-R67 PolarHBondContact O-NH1 3.05Å; G65-L367 WeakPolarHBondContact CA-O 3.39Å; G65-Y371 WeakPolarHBondContact O-CA 3.29Å; G65-Y371 VanDerWaalsContact O-CB 3.28Å; G65-Y371 WeakPolarHBondContact O-CB 3.39Å
66R94.2Very high91Very high4 Ų426.7 Ų26.72%0.01514%0.144CC..  trans-71.9153.1-175.5-63.8-176.3-177.2-128.9-2.7111.6P53 D62 V63 F68 L101 G370 E374 V385P53-R66 WeakPolarHBondContact CD-O 3.42Å; D62-R66 IonicContact OD2-CZ 2.72Å; D62-R66 IonicContact OD2-NE 3.52Å; D62-R66 PolarHBondContact OD2-NE 3.14Å; D62-R66 IonicContact OD2-NH2 2.83Å; D62-R66 PolarHBondContact OD2-NH2 2.95Å; V63-R66 WeakPolarHBondContact O-CB 3.26Å; V63-R66 PolarHBondContact O-N 3.15Å; R66-F68 HydrophobicContact CB-CD1 4.3Å; R66-F68 HydrophobicContact CB-CE1 3.71Å; R66-F68 HydrophobicContact CB-CE2 4.26Å; R66-F68 HydrophobicContact CB-CZ 3.69Å; R66-F68 HydrophobicContact CG-CE1 4.37Å; R66-F68 HydrophobicContact CG-CZ 4.4Å; R66-L101 VanDerWaalsContact CZ-CD1 3.48Å; R66-G370 WeakPolarHBondContact CG-O 3.15Å; R66-E374 HydrophobicContact CB-CB 4.27Å; R66-E374 HydrophobicContact CB-CG 4.49Å; R66-E374 HydrophobicContact CG-CB 4.17Å; R66-E374 IonicContact NH1-OE2 4Å; R66-V385 PolarHBondContact NH1-O 3.45Å; R66-V385 PolarHBondContact NH2-O 3.25Å
67R93Very high91Very high27 Ų2728.7 Ų28.710%0.10215%0.153CC..  trans-127.8110.4175.1-60.7-61.6177-102.87.4108.2L64 G65 A69 Y371 E374L64-R67 PolarHBondContact O-NH1 3.26Å; L64-R67 VanDerWaalsContact O-NH1 3.15Å; G65-R67 PolarHBondContact O-NH1 3.05Å; R67-A69 PolarHBondContact O-N 2.89Å; R67-Y371 HydrophobicContact CB-CD2 4.43Å; R67-Y371 HydrophobicContact CB-CE2 4.34Å; R67-Y371 HydrophobicContact CG-CD2 3.74Å; R67-Y371 HydrophobicContact CG-CE2 3.77Å; R67-E374 WeakPolarHBondContact O-CG 3.46Å
68F93.6Very high91Very high0 Ų028.7 Ų28.70%016%0.158CC..EExtended strand (participates in β ladder)trans-96.289.7-170.7-57-59.2000109.8L44 Q50 F51 P53 V63 R66 H73 L76 P97 Y98 E374L44-F68 HydrophobicContact CD2-CD2 4.47Å; L44-F68 HydrophobicContact CD2-CE2 4.44Å; Q50-F68 CarbonylContact C-O 3.55Å; Q50-F68 VanDerWaalsContact CA-O 3.24Å; Q50-F68 WeakPolarHBondContact CA-O 3.3Å; F51-F68 HydrophobicContact CB-CB 4.24Å; F51-F68 PolarHBondContact N-O 2.96Å; F51-F68 PolarHBondContact O-N 2.85Å; P53-F68 HydrophobicContact CG-CD2 4.07Å; P53-F68 HydrophobicContact CG-CE2 3.59Å; V63-F68 HydrophobicContact CG1-CE2 4.39Å; V63-F68 HydrophobicContact CG1-CZ 4.22Å; R66-F68 HydrophobicContact CB-CD1 4.3Å; R66-F68 HydrophobicContact CB-CE1 3.71Å; R66-F68 HydrophobicContact CB-CE2 4.26Å; R66-F68 HydrophobicContact CB-CZ 3.69Å; R66-F68 HydrophobicContact CG-CE1 4.37Å; R66-F68 HydrophobicContact CG-CZ 4.4Å; F68-H73 AromaticContact CD1-CE1 3.48Å; F68-H73 VanDerWaalsContact CD1-CE1 3.48Å; F68-H73 WeakPolarHBondContact CD1-CE1 3.47Å; F68-H73 AromaticContact CD1-NE2 3.4Å; F68-H73 WeakPolarHBondContact CD1-NE2 3.5Å; F68-L76 HydrophobicContact CB-CD1 3.41Å; F68-L76 VanDerWaalsContact CB-CD1 3.41Å; F68-L76 HydrophobicContact CD2-CD1 4Å; F68-L76 HydrophobicContact CG-CD1 3.77Å; F68-P97 HydrophobicContact CE1-CB 4.38Å; F68-Y98 AromaticContact CE2-CE1 3.92Å; F68-Y98 HydrophobicContact CE2-CE1 3.92Å; F68-Y98 HydrophobicContact CZ-CD1 4.42Å; F68-Y98 AromaticContact CZ-CE1 3.89Å; F68-Y98 HydrophobicContact CZ-CE1 3.89Å; F68-E374 HydrophobicContact CD1-CG 4.48Å
69A92Very high91.2Very high33 Ų3327.9 Ų27.927%0.27315%0.149SC..EExtended strand (participates in β ladder)trans-65.5131.8173.900000110.6R67 E71 G72 H73R67-A69 PolarHBondContact O-N 2.89Å; A69-E71 PolarHBondContact O-N 2.94Å; A69-E71 VanDerWaalsContact O-N 3.17Å; A69-G72 PolarHBondContact O-N 3.44Å; A69-H73 PolarHBondContact O-CD2 3.17Å; A69-H73 VanDerWaalsContact O-CD2 3.29Å; A69-H73 PolarHBondContact O-N 3.42Å
70L91.8Very high91.3Very high17 Ų1728 Ų289%0.08915%0.152CC..G310 helixtrans-54.5-40.8-174.8-68.6-172.6000112.8Y46 R49 F51 G72 H73 L76 E77 A80Y46-L70 HydrophobicContact CE2-CD1 3.83Å; Y46-L70 HydrophobicContact CE2-CD2 4.37Å; Y46-L70 HydrophobicContact CE2-CG 4.2Å; R49-L70 WeakPolarHBondContact O-CG 3.38Å; R49-L70 PolarHBondContact O-N 2.97Å; F51-L70 HydrophobicContact CD2-CD2 3.73Å; F51-L70 HydrophobicContact CE2-CD2 3.56Å; L70-G72 PolarHBondContact O-N 2.63Å; L70-G72 VanDerWaalsContact O-N 3.09Å; L70-H73 CarbonylContact O-C 3.54Å; L70-H73 PolarHBondContact O-N 3.36Å; L70-L76 HydrophobicContact CD2-CB 4.5Å; L70-E77 HydrophobicContact CB-CB 4.39Å; L70-A80 HydrophobicContact CD1-CB 4.23Å; L70-A80 HydrophobicContact CD2-CB 4.17Å
71E87.9Confident91.5Very high171 Ų17136.8 Ų36.880%0.79919%0.185SC*.G310 helixtrans-58.8-24.5-179.7-65175.7-17400113.6A69A69-E71 PolarHBondContact O-N 2.94Å; A69-E71 VanDerWaalsContact O-N 3.17Å
72G86.3Confident91.4Very high20 Ų2034.2 Ų34.221%0.20618%0.184CC..G310 helixtrans-1020.6179.600000114.7A69 L70 R377A69-G72 PolarHBondContact O-N 3.44Å; L70-G72 PolarHBondContact O-N 2.63Å; L70-G72 VanDerWaalsContact O-N 3.09Å; G72-R377 PolarHBondContact O-NH2 3.24Å
73H90.8Very high91.2Very high6 Ų636.4 Ų36.43%0.02821%0.208CC..  trans-14083.3-171.1-70.6-76.4000112F68 A69 L70 R75 L76 E77 E374 R377F68-H73 AromaticContact CD1-CE1 3.48Å; F68-H73 VanDerWaalsContact CD1-CE1 3.48Å; F68-H73 WeakPolarHBondContact CD1-CE1 3.47Å; F68-H73 AromaticContact CD1-NE2 3.4Å; F68-H73 WeakPolarHBondContact CD1-NE2 3.5Å; A69-H73 PolarHBondContact O-CD2 3.17Å; A69-H73 VanDerWaalsContact O-CD2 3.29Å; A69-H73 PolarHBondContact O-N 3.42Å; L70-H73 CarbonylContact O-C 3.54Å; L70-H73 PolarHBondContact O-N 3.36Å; H73-R75 VanDerWaalsContact C-N 3.34Å; H73-R75 PolarHBondContact O-N 2.94Å; H73-L76 HydrophobicContact CB-CB 3.97Å; H73-L76 HydrophobicContact CB-CD1 3.91Å; H73-L76 HydrophobicContact CB-CG 4.23Å; H73-L76 PolarHBondContact O-N 3.21Å; H73-L76 VanDerWaalsContact O-N 3.15Å; H73-E77 PolarHBondContact O-N 2.84Å; H73-E374 IonicContact CD2-OE1 3.52Å; H73-E374 IonicContact CE1-OE1 3.51Å; H73-E374 PolarHBondContact CE1-OE1 3.19Å; H73-E374 VanDerWaalsContact CE1-OE1 3.25Å; H73-E374 IonicContact NE2-OE1 3.05Å; H73-E374 PolarHBondContact NE2-OE1 3.34Å; H73-R377 PolarHBondContact CE1-NH2 3.44Å; H73-R377 PolarHBondContact NE2-NH2 3.1Å
74P88.9Confident91.2Very high44 Ų4439.3 Ų39.329%0.28622%0.223SC..Hα-helixtrans-58.3-37.4-175-27.135.6000114.9E77 A78 L94 P95P74-E77 PolarHBondContact O-N 3.36Å; P74-A78 WeakPolarHBondContact O-CB 3.4Å; P74-A78 PolarHBondContact O-N 3Å; P74-L94 HydrophobicContact CB-CD2 3.88Å; P74-P95 HydrophobicContact CG-CG 4.28Å
75R89.3Confident91.2Very high13 Ų1338.7 Ų38.75%0.04922%0.22CC..Hα-helixtrans-64.5-46.1176.4-70.4-165.5-174-168.1-5.3111.6H73 E77 A78 I79 F88 L94 D96H73-R75 VanDerWaalsContact C-N 3.34Å; H73-R75 PolarHBondContact O-N 2.94Å; R75-E77 VanDerWaalsContact C-N 3.31Å; R75-E77 PolarHBondContact O-N 2.97Å; R75-A78 PolarHBondContact O-N 3.46Å; R75-I79 WeakPolarHBondContact O-CG1 3.47Å; R75-I79 PolarHBondContact O-N 3.07Å; R75-F88 HydrophobicContact CB-CE1 4.04Å; R75-F88 HydrophobicContact CB-CE2 4.12Å; R75-F88 HydrophobicContact CB-CZ 3.76Å; R75-F88 HydrophobicContact CG-CD1 3.99Å; R75-F88 HydrophobicContact CG-CE1 3.81Å; R75-F88 HydrophobicContact CG-CE2 4.4Å; R75-F88 HydrophobicContact CG-CG 4.36Å; R75-F88 HydrophobicContact CG-CZ 4.03Å; R75-F88 WeakPolarHBondContact O-CZ 3.13Å; R75-L94 HydrophobicContact CG-CB 3.73Å; R75-L94 HydrophobicContact CG-CD1 4.41Å; R75-L94 PolarHBondContact NE-O 3.3Å; R75-L94 PolarHBondContact NH2-O 3.43Å; R75-D96 IonicContact CZ-OD2 2.84Å; R75-D96 IonicContact NH1-OD2 3.2Å; R75-D96 PolarHBondContact NH1-OD2 3.48Å
76L92.2Very high91.2Very high1 Ų139.7 Ų39.71%0.00523%0.226CC..Hα-helixtrans-66-36.1177.4-68175.6000111.6L44 F51 F68 L70 H73 I79 A80 P97 T129L44-L76 HydrophobicContact CD1-CD2 3.66Å; F51-L76 HydrophobicContact CB-CD1 4.46Å; F51-L76 HydrophobicContact CD2-CB 3.8Å; F51-L76 HydrophobicContact CD2-CD1 4.24Å; F51-L76 HydrophobicContact CD2-CD2 4.19Å; F51-L76 HydrophobicContact CD2-CG 4.31Å; F51-L76 HydrophobicContact CE2-CB 4Å; F51-L76 WeakPolarHBondContact CE2-O 3.28Å; F68-L76 HydrophobicContact CB-CD1 3.41Å; F68-L76 VanDerWaalsContact CB-CD1 3.41Å; F68-L76 HydrophobicContact CD2-CD1 4Å; F68-L76 HydrophobicContact CG-CD1 3.77Å; L70-L76 HydrophobicContact CD2-CB 4.5Å; H73-L76 HydrophobicContact CB-CB 3.97Å; H73-L76 HydrophobicContact CB-CD1 3.91Å; H73-L76 HydrophobicContact CB-CG 4.23Å; H73-L76 PolarHBondContact O-N 3.21Å; H73-L76 VanDerWaalsContact O-N 3.15Å; L76-I79 HydrophobicContact CD2-CD1 4.22Å; L76-I79 PolarHBondContact O-N 3.44Å; L76-A80 WeakPolarHBondContact O-CB 3.31Å; L76-A80 PolarHBondContact O-N 2.68Å; L76-P97 HydrophobicContact CD1-CB 4.09Å; L76-P97 HydrophobicContact CD1-CG 4.25Å; L76-P97 HydrophobicContact CD2-CG 4.47Å; L76-P97 HydrophobicContact CG-CB 4.46Å; L76-P97 HydrophobicContact CG-CG 4.12Å; L76-T129 HydrophobicContact CD2-CG2 4.17Å
77E92.8Very high91Very high52 Ų5243.3 Ų43.324%0.24324%0.24CC..Hα-helixtrans-63.2-42.5172.1-177.2171.7-14000112.4L70 H73 P74 R75 A80 R81L70-E77 HydrophobicContact CB-CB 4.39Å; H73-E77 PolarHBondContact O-N 2.84Å; P74-E77 PolarHBondContact O-N 3.36Å; R75-E77 VanDerWaalsContact C-N 3.31Å; R75-E77 PolarHBondContact O-N 2.97Å; E77-A80 PolarHBondContact O-N 3.33Å; E77-R81 HydrophobicContact CG-CG 4.44Å; E77-R81 WeakPolarHBondContact O-CB 3.32Å; E77-R81 WeakPolarHBondContact O-CG 3.38Å; E77-R81 PolarHBondContact O-N 3.48Å; E77-R81 IonicContact OE1-CZ 2.93Å; E77-R81 IonicContact OE1-NE 3.06Å; E77-R81 PolarHBondContact OE1-NE 3.26Å; E77-R81 IonicContact OE1-NH2 2.56Å; E77-R81 PolarHBondContact OE1-NH2 3.48Å
78A92.1Very high90.6Very high33 Ų3342.8 Ų42.827%0.27324%0.239SC..Hα-helixtrans-61.6-43.6175.300000111.6P74 R75 A80 R81 A82 F88P74-A78 WeakPolarHBondContact O-CB 3.4Å; P74-A78 PolarHBondContact O-N 3Å; R75-A78 PolarHBondContact O-N 3.46Å; A78-A80 PolarHBondContact O-N 3.1Å; A78-R81 PolarHBondContact O-N 2.69Å; A78-A82 VanDerWaalsContact O-CB 3.31Å; A78-A82 WeakPolarHBondContact O-CB 3.44Å; A78-A82 PolarHBondContact O-N 3.28Å; A78-F88 HydrophobicContact CB-CE1 4.11Å; A78-F88 HydrophobicContact CB-CZ 3.96Å
79I92.5Very high89.7Confident1 Ų146.3 Ų46.31%0.00526%0.262CS..Hα-helixtrans-59.4-47.4174.5-63.8163.6000110.7R75 L76 R81 V86 F88 P117 A127 T129R75-I79 WeakPolarHBondContact O-CG1 3.47Å; R75-I79 PolarHBondContact O-N 3.07Å; L76-I79 HydrophobicContact CD2-CD1 4.22Å; L76-I79 PolarHBondContact O-N 3.44Å; I79-R81 PolarHBondContact O-N 3.02Å; I79-V86 HydrophobicContact CG1-CB 4.23Å; I79-V86 HydrophobicContact CG1-CG2 4.36Å; I79-F88 HydrophobicContact CD1-CE2 3.98Å; I79-F88 HydrophobicContact CG1-CE2 3.87Å; I79-F88 HydrophobicContact CG1-CZ 4.09Å; I79-P117 HydrophobicContact CG2-CB 4.13Å; I79-A127 HydrophobicContact CG2-CB 3.92Å; I79-T129 HydrophobicContact CD1-CG2 4.14Å
80A92.6Very high88.7Confident17 Ų1746.8 Ų46.814%0.1427%0.266CS..Hα-helixtrans-61.9-31.1179.800000113.1F51 L70 L76 E77 A78 L124F51-A80 HydrophobicContact CE2-CB 4.05Å; F51-A80 HydrophobicContact CZ-CB 4.06Å; L70-A80 HydrophobicContact CD1-CB 4.23Å; L70-A80 HydrophobicContact CD2-CB 4.17Å; L76-A80 WeakPolarHBondContact O-CB 3.31Å; L76-A80 PolarHBondContact O-N 2.68Å; E77-A80 PolarHBondContact O-N 3.33Å; A78-A80 PolarHBondContact O-N 3.1Å; A80-L124 HydrophobicContact CB-CD2 3.64Å
81R92.1Very high87.8Confident187 Ų18752.3 Ų52.371%0.70630%0.295SS*.Hα-helixtrans-93-25.2-176.5-70.4-179.3-178.6-164.42.3114.6E77 A78 I79 G83E77-R81 HydrophobicContact CG-CG 4.44Å; E77-R81 WeakPolarHBondContact O-CB 3.32Å; E77-R81 WeakPolarHBondContact O-CG 3.38Å; E77-R81 PolarHBondContact O-N 3.48Å; E77-R81 IonicContact OE1-CZ 2.93Å; E77-R81 IonicContact OE1-NE 3.06Å; E77-R81 PolarHBondContact OE1-NE 3.26Å; E77-R81 IonicContact OE1-NH2 2.56Å; E77-R81 PolarHBondContact OE1-NH2 3.48Å; A78-R81 PolarHBondContact O-N 2.69Å; I79-R81 PolarHBondContact O-N 3.02Å; R81-G83 VanDerWaalsContact C-N 3.32Å; R81-G83 PolarHBondContact O-N 2.99Å
82A88.7Confident87.1Confident57 Ų5745.3 Ų45.347%0.47127%0.265SS..Hα-helixtrans-65.8-33.4-171.100000113.6A78 D84 V86A78-A82 VanDerWaalsContact O-CB 3.31Å; A78-A82 WeakPolarHBondContact O-CB 3.44Å; A78-A82 PolarHBondContact O-N 3.28Å; A82-D84 PolarHBondContact O-N 2.79Å; A82-V86 HydrophobicContact CB-CG2 3.22Å
83G87.6Confident86.3Confident47 Ų4753.7 Ų53.749%0.48530%0.299SS..SBendtrans74-6.6-175.800000114.8R81R81-G83 VanDerWaalsContact C-N 3.32Å; R81-G83 PolarHBondContact O-N 2.99Å
84D91.8Very high85.4Confident60 Ų6056.7 Ų56.732%0.32132%0.315SS..SBendtrans-147.2179.7179-159.11.1000110.1A82 V86 P117 R147A82-D84 PolarHBondContact O-N 2.79Å; D84-V86 WeakPolarHBondContact O-CG2 3.4Å; D84-V86 PolarHBondContact O-N 2.95Å; D84-P117 VanDerWaalsContact O-CD 3.27Å; D84-P117 WeakPolarHBondContact O-CD 3.37Å; D84-P117 WeakPolarHBondContact O-CG 3.35Å; D84-R147 VanDerWaalsContact CG-NE 3.32Å; D84-R147 WeakPolarHBondContact OD1-CD 3.38Å; D84-R147 WeakPolarHBondContact OD1-CG 3.26Å; D84-R147 IonicContact OD1-CZ 3.67Å; D84-R147 IonicContact OD1-NE 3.16Å; D84-R147 PolarHBondContact OD1-NE 3.32Å; D84-R147 IonicContact OD1-NH2 3.15Å; D84-R147 IonicContact OD2-CZ 3.02Å; D84-R147 VanDerWaalsContact OD2-CZ 3.3Å; D84-R147 IonicContact OD2-NE 3.34Å; D84-R147 PolarHBondContact OD2-NE 2.85Å; D84-R147 IonicContact OD2-NH2 2.62Å; D84-R147 PolarHBondContact OD2-NH2 3.02Å
85V92.4Very high84.7Confident22 Ų2257.4 Ų57.413%0.13332%0.32CS..  trans-48.9129.3177.2-178.80000111.2R87 V114 L116 L146 R147V85-R87 HydrophobicContact CG1-CG 4.44Å; V85-V114 HydrophobicContact CG1-CG1 4.13Å; V85-L116 HydrophobicContact CB-CD2 4.14Å; V85-L116 HydrophobicContact CG1-CD2 3.77Å; V85-L116 HydrophobicContact CG2-CD2 3.7Å; V85-L146 HydrophobicContact CG1-CB 4.34Å; V85-L146 HydrophobicContact CG1-CD1 3.86Å; V85-L146 HydrophobicContact CG2-CB 3.98Å; V85-R147 HydrophobicContact CG2-CG 3.81Å
86V92.2Very high84.1Confident21 Ų2157.3 Ų57.313%0.12732%0.32CS..EExtended strand (participates in β ladder)trans-114.6121.6174.7-172.50000109.3I79 A82 D84 F88 V114 G115I79-V86 HydrophobicContact CG1-CB 4.23Å; I79-V86 HydrophobicContact CG1-CG2 4.36Å; A82-V86 HydrophobicContact CB-CG2 3.22Å; D84-V86 WeakPolarHBondContact O-CG2 3.4Å; D84-V86 PolarHBondContact O-N 2.95Å; V86-F88 HydrophobicContact CB-CE2 4.23Å; V86-F88 HydrophobicContact CB-CZ 4.39Å; V86-F88 HydrophobicContact CG1-CD2 4.23Å; V86-F88 HydrophobicContact CG1-CE1 3.94Å; V86-F88 HydrophobicContact CG1-CE2 3.62Å; V86-F88 HydrophobicContact CG1-CZ 3.46Å; V86-F88 VanDerWaalsContact CG1-CZ 3.46Å; V86-V114 WeakPolarHBondContact O-CA 3.4Å; V86-G115 PolarHBondContact N-O 3.08Å; V86-G115 PolarHBondContact O-N 3.24Å
87R90.1Very high83.4Confident81 Ų8157.8 Ų57.831%0.30632%0.323SS..EExtended strand (participates in β ladder)trans-104.3120.4171.3-61.7-179.2-179.7-113.9-5.8109V85 V114 F138 D139 F141 D143 L146V85-R87 HydrophobicContact CG1-CG 4.44Å; R87-V114 HydrophobicContact CG-CG2 4.26Å; R87-F138 PolarHBondContact NH1-O 2.86Å; R87-D139 IonicContact NH1-OD1 3.32Å; R87-F141 PolarHBondContact NH2-O 2.95Å; R87-D143 IonicContact CZ-OD1 2.95Å; R87-D143 VanDerWaalsContact CZ-OD1 3.31Å; R87-D143 IonicContact NE-OD1 3.65Å; R87-D143 PolarHBondContact NE-OD1 2.81Å; R87-D143 IonicContact NH2-OD1 3.83Å; R87-D143 PolarHBondContact NH2-OD1 3.42Å; R87-L146 VanDerWaalsContact NH2-CD1 3.35Å
88F85.2Confident82.8Confident16 Ų1655.4 Ų55.47%0.0731%0.312CS..EExtended strand (participates in β ladder)trans-93.8124.8171.3-61.1-82.2000108.9R75 A78 I79 V86 L94 C113R75-F88 HydrophobicContact CB-CE1 4.04Å; R75-F88 HydrophobicContact CB-CE2 4.12Å; R75-F88 HydrophobicContact CB-CZ 3.76Å; R75-F88 HydrophobicContact CG-CD1 3.99Å; R75-F88 HydrophobicContact CG-CE1 3.81Å; R75-F88 HydrophobicContact CG-CE2 4.4Å; R75-F88 HydrophobicContact CG-CG 4.36Å; R75-F88 HydrophobicContact CG-CZ 4.03Å; R75-F88 WeakPolarHBondContact O-CZ 3.13Å; A78-F88 HydrophobicContact CB-CE1 4.11Å; A78-F88 HydrophobicContact CB-CZ 3.96Å; I79-F88 HydrophobicContact CD1-CE2 3.98Å; I79-F88 HydrophobicContact CG1-CE2 3.87Å; I79-F88 HydrophobicContact CG1-CZ 4.09Å; V86-F88 HydrophobicContact CB-CE2 4.23Å; V86-F88 HydrophobicContact CB-CZ 4.39Å; V86-F88 HydrophobicContact CG1-CD2 4.23Å; V86-F88 HydrophobicContact CG1-CE1 3.94Å; V86-F88 HydrophobicContact CG1-CE2 3.62Å; V86-F88 HydrophobicContact CG1-CZ 3.46Å; V86-F88 VanDerWaalsContact CG1-CZ 3.46Å; F88-L94 HydrophobicContact CD1-CD1 4.3Å; F88-L94 HydrophobicContact CE1-CD1 3.95Å; F88-C113 HydrophobicContact CB-CB 4.16Å; F88-C113 HydrophobicContact CD2-CB 4.14Å; F88-C113 PolarHBondContact N-O 2.9Å
89P74.6Confident82Confident74 Ų7455.1 Ų55.148%0.48131%0.306SS..  trans-69.7160.5177.632.2-37.2000111D91 S92P89-D91 WeakPolarHBondContact CB-OD1 3.39Å; P89-D91 PolarHBondContact O-N 3.29Å; P89-S92 WeakPolarHBondContact O-CB 3.47Å; P89-S92 PolarHBondContact O-N 2.98Å
90A71.2Confident81Confident43 Ų4355.1 Ų55.136%0.35531%0.306SS..THydrogen-bonded Turntrans-58.9-29.3-177.700000115H111 P135A90-H111 WeakPolarHBondContact CA-O 3.28Å; A90-H111 HydrophobicContact CB-CB 4.22Å; A90-H111 WeakPolarHBondContact CB-O 3.44Å; A90-H111 PolarHBondContact N-O 3.25Å; A90-P135 HydrophobicContact CB-CB 3.9Å; A90-P135 HydrophobicContact CB-CG 4.21Å
91D71.7Confident80.4Confident133 Ų13354.4 Ų54.471%0.71130%0.3SS*.THydrogen-bonded Turntrans-95.811.9179.162.4-16.9000112.8P89 E93P89-D91 WeakPolarHBondContact CB-OD1 3.39Å; P89-D91 PolarHBondContact O-N 3.29Å; D91-E93 PolarHBondContact O-N 3.26Å; D91-E93 VanDerWaalsContact O-N 3.09Å
92S73.2Confident79.6Confident24 Ų2446.3 Ų46.317%0.16827%0.271CS..  trans-55.6117.8177.8167.40000111.3P89 L94P89-S92 WeakPolarHBondContact O-CB 3.47Å; P89-S92 PolarHBondContact O-N 2.98Å; S92-L94 PolarHBondContact O-N 3.25Å; S92-L94 PolarHBondContact OG-N 3.12Å
93E70.3Confident78.6Confident196 Ų19647.1 Ų47.192%0.91627%0.271SS*.  trans-66.8-15.9175-61.9-170167.400113.2D91D91-E93 PolarHBondContact O-N 3.26Å; D91-E93 VanDerWaalsContact O-N 3.09Å
94L72.3Confident77.5Confident68 Ų6848.5 Ų48.536%0.35629%0.286SS..SBendtrans-67.2125.7176.7-59.6179.9000110.2P74 R75 F88 S92 D96P74-L94 HydrophobicContact CB-CD2 3.88Å; R75-L94 HydrophobicContact CG-CB 3.73Å; R75-L94 HydrophobicContact CG-CD1 4.41Å; R75-L94 PolarHBondContact NE-O 3.3Å; R75-L94 PolarHBondContact NH2-O 3.43Å; F88-L94 HydrophobicContact CD1-CD1 4.3Å; F88-L94 HydrophobicContact CE1-CD1 3.95Å; S92-L94 PolarHBondContact O-N 3.25Å; S92-L94 PolarHBondContact OG-N 3.12Å; L94-D96 PolarHBondContact O-N 3.37Å
95P74.5Confident76.1Confident60 Ų6048.6 Ų48.639%0.3928%0.284SS..PPolyproline II helixtrans-62.4133.8-178.423.4-31.4000110.9P74P74-P95 HydrophobicContact CG-CG 4.28Å
96D75.2Confident74.4Confident10 Ų1049.7 Ų49.75%0.05329%0.288CS..PPolyproline II helixtrans-79.6129.3178.5-164.9-53.5000110.4R75 L94 Y98 D99R75-D96 IonicContact CZ-OD2 2.84Å; R75-D96 IonicContact NH1-OD2 3.2Å; R75-D96 PolarHBondContact NH1-OD2 3.48Å; L94-D96 PolarHBondContact O-N 3.37Å; D96-Y98 PolarHBondContact O-N 2.72Å; D96-Y98 VanDerWaalsContact O-N 3.15Å; D96-Y98 WeakPolarHBondContact OD1-CA 3.11Å; D96-Y98 WeakPolarHBondContact OD1-CB 3.28Å; D96-Y98 PolarHBondContact OD1-N 3.39Å; D96-D99 HydrophobicContact CB-CB 4.23Å; D96-D99 PolarHBondContact O-N 3.02Å
97P77.5Confident72.5Confident12 Ų1253.7 Ų53.78%0.07832%0.316CS..THydrogen-bonded Turntrans-60.4-20.8176.626.4-36.6000113.9F68 L76F68-P97 HydrophobicContact CE1-CB 4.38Å; L76-P97 HydrophobicContact CD1-CB 4.09Å; L76-P97 HydrophobicContact CD1-CG 4.25Å; L76-P97 HydrophobicContact CD2-CG 4.47Å; L76-P97 HydrophobicContact CG-CB 4.46Å; L76-P97 HydrophobicContact CG-CG 4.12Å
98Y80.5Confident70.7Confident1 Ų153.7 Ų53.70%0.00432%0.322CS..THydrogen-bonded Turntrans-107.36.1-176.3-50.6-59000114.1L59 V63 F68 D96 G100 L101 T129 D131L59-Y98 HydrophobicContact CD1-CD1 3.86Å; L59-Y98 HydrophobicContact CD1-CE1 3.95Å; L59-Y98 HydrophobicContact CD1-CG 4.24Å; L59-Y98 HydrophobicContact CD2-CD1 4.17Å; L59-Y98 HydrophobicContact CD2-CG 4.04Å; V63-Y98 HydrophobicContact CG1-CD1 4.26Å; V63-Y98 HydrophobicContact CG1-CE1 3.91Å; F68-Y98 AromaticContact CE2-CE1 3.92Å; F68-Y98 HydrophobicContact CE2-CE1 3.92Å; F68-Y98 HydrophobicContact CZ-CD1 4.42Å; F68-Y98 AromaticContact CZ-CE1 3.89Å; F68-Y98 HydrophobicContact CZ-CE1 3.89Å; D96-Y98 PolarHBondContact O-N 2.72Å; D96-Y98 VanDerWaalsContact O-N 3.15Å; D96-Y98 WeakPolarHBondContact OD1-CA 3.11Å; D96-Y98 WeakPolarHBondContact OD1-CB 3.28Å; D96-Y98 PolarHBondContact OD1-N 3.39Å; Y98-G100 PolarHBondContact O-N 2.84Å; Y98-G100 VanDerWaalsContact O-N 3.12Å; Y98-L101 WeakPolarHBondContact O-CA 3.45Å; Y98-L101 VanDerWaalsContact O-CB 3.3Å; Y98-L101 WeakPolarHBondContact O-CB 3.09Å; Y98-L101 PolarHBondContact O-N 2.82Å; Y98-T129 HydrophobicContact CE2-CG2 4.2Å; Y98-T129 VanDerWaalsContact CE2-OG1 3.3Å; Y98-T129 WeakPolarHBondContact CE2-OG1 3.17Å; Y98-T129 PolarHBondContact OH-OG1 3.02Å; Y98-D131 WeakPolarHBondContact CD2-OD2 3.5Å
99D75.7Confident69.3Low27 Ų2759.7 Ų59.714%0.14435%0.348CS..THydrogen-bonded Turntrans-56.2120.3-179.3-96.2-20.9000111.9D96 L101 V110 R384D96-D99 HydrophobicContact CB-CB 4.23Å; D96-D99 PolarHBondContact O-N 3.02Å; D99-L101 VanDerWaalsContact C-N 3.27Å; D99-L101 PolarHBondContact O-N 2.94Å; D99-V110 PolarHBondContact OD1-N 3.39Å; D99-R384 WeakPolarHBondContact O-CD 3.31Å
100G72.5Confident68.5Low2 Ų256.5 Ų56.52%0.02133%0.327CS..THydrogen-bonded Turntrans75.57.5-176.300000115.3Y98 V386Y98-G100 PolarHBondContact O-N 2.84Å; Y98-G100 VanDerWaalsContact O-N 3.12Å; G100-V386 WeakPolarHBondContact O-CG1 3.27Å
101L78.4Confident68.1Low2 Ų257.6 Ų57.61%0.0133%0.325CS..  trans-96.70.7176.6-53.7-178.5000113.3A60 V63 R66 Y98 D99 P103 V386A60-L101 WeakPolarHBondContact CB-O 3.3Å; A60-L101 PolarHBondContact N-O 2.86Å; V63-L101 HydrophobicContact CG2-CB 3.95Å; V63-L101 HydrophobicContact CG2-CD1 3.62Å; V63-L101 HydrophobicContact CG2-CG 4.32Å; R66-L101 VanDerWaalsContact CZ-CD1 3.48Å; Y98-L101 WeakPolarHBondContact O-CA 3.45Å; Y98-L101 VanDerWaalsContact O-CB 3.3Å; Y98-L101 WeakPolarHBondContact O-CB 3.09Å; Y98-L101 PolarHBondContact O-N 2.82Å; D99-L101 VanDerWaalsContact C-N 3.27Å; D99-L101 PolarHBondContact O-N 2.94Å; L101-P103 WeakPolarHBondContact O-CD 3.5Å; L101-V386 HydrophobicContact CD2-CB 4.47Å; L101-V386 HydrophobicContact CD2-CG1 4.35Å; L101-V386 HydrophobicContact CD2-CG2 4.02Å
102I76.6Confident68.3Low16 Ų1651.6 Ų51.68%0.08229%0.294CS..SBendtrans-83.6117168.7-57.5176.8000108.5A40 L59 G104 Q105 V110 M133A40-I102 HydrophobicContact CB-CD1 4.29Å; A40-I102 HydrophobicContact CB-CG1 4.3Å; L59-I102 HydrophobicContact CD2-CG1 4.12Å; I102-G104 PolarHBondContact O-N 2.89Å; I102-Q105 HydrophobicContact CG2-CB 4.47Å; I102-Q105 PolarHBondContact O-N 2.9Å; I102-V110 HydrophobicContact CD1-CG2 3.99Å; I102-M133 HydrophobicContact CD1-SD 4.22Å
103P68.2Low68.9Low75 Ų7550.6 Ų50.649%0.48729%0.287SS..THydrogen-bonded Turntrans-56.4129.9-177.4-25.134.7000112.7G58 L101 Q105G58-P103 VanDerWaalsContact O-CD 3.28Å; G58-P103 WeakPolarHBondContact O-CD 3.19Å; L101-P103 WeakPolarHBondContact O-CD 3.5Å; P103-Q105 VanDerWaalsContact C-N 3.3Å; P103-Q105 PolarHBondContact O-N 3.18Å
104G63.8Low69.8Low76 Ų7641.4 Ų41.478%0.78424%0.244SC*.THydrogen-bonded Turntrans85.3-5.4178.400000115.2I102I102-G104 PolarHBondContact O-N 2.89Å
105Q62.8Low70.8Confident62 Ų6238.2 Ų38.229%0.2923%0.227SC..  trans-127.839.1179.8-69.1178.1-17.700111.6I102 P103 S107 L108 M133I102-Q105 HydrophobicContact CG2-CB 4.47Å; I102-Q105 PolarHBondContact O-N 2.9Å; P103-Q105 VanDerWaalsContact C-N 3.3Å; P103-Q105 PolarHBondContact O-N 3.18Å; Q105-S107 PolarHBondContact O-N 3.01Å; Q105-L108 HydrophobicContact CB-CB 4.4Å; Q105-L108 HydrophobicContact CB-CD1 4.19Å; Q105-L108 HydrophobicContact CG-CD1 3.99Å; Q105-L108 PolarHBondContact O-N 3.31Å; Q105-L108 VanDerWaalsContact O-N 3.11Å; Q105-M133 HydrophobicContact CG-CE 4.4Å; Q105-M133 PolarHBondContact OE1-SD 3.26Å
106E57Low71.7Confident44 Ų4435.3 Ų35.321%0.20621%0.209CC..THydrogen-bonded Turntrans-58.3-22.5-176.7-61.4173178.900112.7R384 V386 I428E106-R384 PolarHBondContact O-NH1 3Å; E106-R384 PolarHBondContact O-NH2 3.04Å; E106-V386 HydrophobicContact CG-CG1 4.41Å; E106-I428 HydrophobicContact CB-CD1 4.39Å
107S51.5Low72.7Confident105 Ų10535.4 Ų35.473%0.73421%0.21SC*.THydrogen-bonded Turntrans-99-8.2-179.157.80000115.8Q105Q105-S107 PolarHBondContact O-N 3.01Å
108L51.9Low73.6Confident82 Ų8234.9 Ų34.943%0.42921%0.206SC..PPolyproline II helixtrans-98.4129.3-177.2-75.8151.8000109.7Q105 M133Q105-L108 HydrophobicContact CB-CB 4.4Å; Q105-L108 HydrophobicContact CB-CD1 4.19Å; Q105-L108 HydrophobicContact CG-CD1 3.99Å; Q105-L108 PolarHBondContact O-N 3.31Å; Q105-L108 VanDerWaalsContact O-N 3.11Å; L108-M133 HydrophobicContact CB-CE 3.97Å; L108-M133 HydrophobicContact CD1-CE 4.04Å; L108-M133 HydrophobicContact CG-CE 4.5Å
109K55.9Low74.2Confident141 Ų14138 Ų3861%0.61322%0.22SC*.PPolyproline II helixtrans-70141.5169.1-69-174.9174.3-172.10108.7H111K109-H111 PolarHBondContact O-CE1 3.43Å; K109-H111 PolarHBondContact O-ND1 3.47Å
110V57.7Low74.9Confident7 Ų738.3 Ų38.34%0.04223%0.227CC..PPolyproline II helixtrans-66.6135.5175.3-178.60000109.5D99 I102 D131D99-V110 PolarHBondContact OD1-N 3.39Å; I102-V110 HydrophobicContact CD1-CG2 3.99Å; V110-D131 HydrophobicContact CG1-CB 3.87Å
111H63.6Low75.6Confident66 Ų6641.8 Ų41.831%0.30626%0.262SS..SBendtrans-102-19.6-171.9-65.959.7000113.3A90 K109 G132 P135A90-H111 WeakPolarHBondContact CA-O 3.28Å; A90-H111 HydrophobicContact CB-CB 4.22Å; A90-H111 WeakPolarHBondContact CB-O 3.44Å; A90-H111 PolarHBondContact N-O 3.25Å; K109-H111 PolarHBondContact O-CE1 3.43Å; K109-H111 PolarHBondContact O-ND1 3.47Å; H111-G132 PolarHBondContact N-O 3.37Å; H111-P135 HydrophobicContact CB-CG 4.13Å
112A75.8Confident76Confident7 Ų750.6 Ų50.66%0.05830%0.303CS..EExtended strand (participates in β ladder)trans-142.8128.6170.700000108.9D131 G132 Q134 F138A112-D131 WeakPolarHBondContact O-CA 3.5Å; A112-G132 PolarHBondContact N-O 3.14Å; A112-G132 PolarHBondContact O-N 3.47Å; A112-Q134 VanDerWaalsContact CB-O 3.27Å; A112-Q134 WeakPolarHBondContact CB-O 3.35Å; A112-F138 HydrophobicContact CB-CD2 3.77Å; A112-F138 HydrophobicContact CB-CE2 3.95Å
113C85.5Confident76.7Confident4 Ų455.5 Ų55.53%0.02733%0.329CS..EExtended strand (participates in β ladder)trans-129.7126.1176.7179.10000108.9F88 L130 D131F88-C113 HydrophobicContact CB-CB 4.16Å; F88-C113 HydrophobicContact CD2-CB 4.14Å; F88-C113 PolarHBondContact N-O 2.9Å; C113-L130 WeakPolarHBondContact CA-O 3.31Å; C113-D131 WeakPolarHBondContact CB-OD1 3.21Å; C113-D131 PolarHBondContact SG-OD1 3.26Å
114V89.5Confident78Confident3 Ų353.3 Ų53.32%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-114.6126.4172.6176.80000108.5V85 V86 R87 L116 T129 L130 F138 L146V85-V114 HydrophobicContact CG1-CG1 4.13Å; V86-V114 WeakPolarHBondContact O-CA 3.4Å; R87-V114 HydrophobicContact CG-CG2 4.26Å; V114-L116 HydrophobicContact CG1-CD2 3.87Å; V114-L116 HydrophobicContact CG1-CG 4.28Å; V114-T129 WeakPolarHBondContact O-CA 3.44Å; V114-L130 HydrophobicContact CB-CB 4.34Å; V114-L130 HydrophobicContact CB-CD1 4.49Å; V114-L130 HydrophobicContact CG1-CD1 4.47Å; V114-L130 PolarHBondContact N-O 3.3Å; V114-L130 PolarHBondContact O-N 3.43Å; V114-F138 HydrophobicContact CB-CD2 4.42Å; V114-F138 HydrophobicContact CG2-CB 3.71Å; V114-F138 HydrophobicContact CG2-CD2 3.55Å; V114-F138 HydrophobicContact CG2-CE2 4.36Å; V114-F138 HydrophobicContact CG2-CG 3.75Å; V114-L146 HydrophobicContact CG1-CD1 3.96Å
115G92.8Very high79.4Confident0 Ų050.6 Ų50.60%028%0.281CS..EExtended strand (participates in β ladder)trans-112.7127.7175.300000111.4V86V86-G115 PolarHBondContact N-O 3.08Å; V86-G115 PolarHBondContact O-N 3.24Å
116L94.4Very high81Confident0 Ų047.7 Ų47.70%027%0.267CS..EExtended strand (participates in β ladder)trans-114.6106.4-179.2-55.2178.3000108.8V85 V114 A127 L128 L130 L146 I149 A150V85-L116 HydrophobicContact CB-CD2 4.14Å; V85-L116 HydrophobicContact CG1-CD2 3.77Å; V85-L116 HydrophobicContact CG2-CD2 3.7Å; V114-L116 HydrophobicContact CG1-CD2 3.87Å; V114-L116 HydrophobicContact CG1-CG 4.28Å; L116-A127 CarbonylContact O-C 3.55Å; L116-A127 VanDerWaalsContact O-CA 3.29Å; L116-A127 WeakPolarHBondContact O-CA 3.27Å; L116-L128 HydrophobicContact CB-CB 4.16Å; L116-L128 HydrophobicContact CD1-CD2 3.82Å; L116-L128 HydrophobicContact CD1-CG 4.26Å; L116-L128 PolarHBondContact N-O 3.04Å; L116-L128 PolarHBondContact O-N 2.92Å; L116-L130 HydrophobicContact CD1-CD1 4.1Å; L116-L146 HydrophobicContact CD2-CB 3.84Å; L116-I149 HydrophobicContact CD1-CG2 4.26Å; L116-A150 HydrophobicContact CB-CB 3.97Å; L116-A150 HydrophobicContact CD1-CB 4.41Å
117P95.7Very high82.8Confident11 Ų1145.6 Ų45.67%0.07126%0.257CS..EExtended strand (participates in β ladder)trans-69.7137.2175.229.5-33.2000110.4I79 D84 F119 L124I79-P117 HydrophobicContact CG2-CB 4.13Å; D84-P117 VanDerWaalsContact O-CD 3.27Å; D84-P117 WeakPolarHBondContact O-CD 3.37Å; D84-P117 WeakPolarHBondContact O-CG 3.35Å; P117-F119 HydrophobicContact CB-CD2 4.28Å; P117-F119 HydrophobicContact CB-CE2 3.56Å; P117-F119 HydrophobicContact CB-CZ 4.15Å; P117-F119 HydrophobicContact CG-CE2 3.81Å; P117-L124 HydrophobicContact CB-CD1 3.92Å
118L95.6Very high84.9Confident1 Ų140.6 Ų40.61%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-107.9118.9-177.2-53.6-179000109.4L43 I125 G126 L128 A150 A153 A154 L157L43-L118 HydrophobicContact CD1-CD1 3.48Å; L43-L118 VanDerWaalsContact CD1-CD1 3.48Å; L118-I125 HydrophobicContact CB-CG1 4.23Å; L118-I125 WeakPolarHBondContact O-CG1 3.37Å; L118-I125 PolarHBondContact O-N 3.08Å; L118-G126 WeakPolarHBondContact CB-O 3.13Å; L118-G126 PolarHBondContact N-O 2.98Å; L118-G126 PolarHBondContact O-N 2.82Å; L118-L128 HydrophobicContact CD1-CB 4.43Å; L118-L128 HydrophobicContact CD2-CB 4.31Å; L118-A150 HydrophobicContact CD2-CB 4.12Å; L118-A150 VanDerWaalsContact CD2-O 3.29Å; L118-A150 WeakPolarHBondContact CD2-O 3.31Å; L118-A153 HydrophobicContact CD1-CB 4.21Å; L118-A153 HydrophobicContact CD2-CB 3.93Å; L118-A154 HydrophobicContact CB-CB 3.87Å; L118-A154 HydrophobicContact CD2-CB 4.21Å; L118-L157 HydrophobicContact CD1-CD2 4.03Å
119F93.3Very high86.9Confident67 Ų6736.7 Ų36.729%0.29420%0.202SC..EExtended strand (participates in β ladder)trans-115.6137.7-177.1-68.8-85.6000112.3P117 N123 L124P117-F119 HydrophobicContact CB-CD2 4.28Å; P117-F119 HydrophobicContact CB-CE2 3.56Å; P117-F119 HydrophobicContact CB-CZ 4.15Å; P117-F119 HydrophobicContact CG-CE2 3.81Å; F119-N123 WeakPolarHBondContact CA-O 3.37Å; F119-L124 HydrophobicContact CD1-CB 4.15Å; F119-L124 HydrophobicContact CD1-CD1 4.42Å; F119-L124 HydrophobicContact CE1-CB 3.77Å; F119-L124 HydrophobicContact CE1-CD1 3.97Å; F119-L124 HydrophobicContact CE1-CG 4.49Å; F119-L124 HydrophobicContact CE2-CD1 4.29Å; F119-L124 HydrophobicContact CZ-CB 4.47Å; F119-L124 HydrophobicContact CZ-CD1 3.88Å
120A90.8Very high88.5Confident34 Ų3430 Ų3028%0.28117%0.173SC..EExtended strand (participates in β ladder)trans-103.299.6160.200000108.2Q122 N123 I125A120-Q122 PolarHBondContact O-N 3.42Å; A120-N123 PolarHBondContact N-O 3.18Å; A120-N123 PolarHBondContact O-N 2.87Å; A120-N123 VanDerWaalsContact O-N 3.14Å; A120-I125 HydrophobicContact CB-CD1 4.06Å; A120-I125 HydrophobicContact CB-CG1 4.43Å; A120-I125 HydrophobicContact CB-CG2 3.75Å
121G87.6Confident89.9Confident74 Ų7429.7 Ų29.776%0.76317%0.171SC*.THydrogen-bonded Turntrans65.7-116.9-168.800000110.8
122Q86.7Confident90.8Very high188 Ų18826.5 Ų26.588%0.87916%0.157SC*.THydrogen-bonded Turntrans-97.6-4.5175.9-64.6-173.9-0.800113.4A120A120-Q122 PolarHBondContact O-N 3.42Å
123N91.1Very high90.8Very high118 Ų11827.8 Ų27.863%0.63116%0.162SC*.EExtended strand (participates in β ladder)trans-91.6122.3-175.7-69.4-12.1000110.2F119 A120 I125F119-N123 WeakPolarHBondContact CA-O 3.37Å; A120-N123 PolarHBondContact N-O 3.18Å; A120-N123 PolarHBondContact O-N 2.87Å; A120-N123 VanDerWaalsContact O-N 3.14Å; N123-I125 PolarHBondContact O-N 3.43Å
124L94.4Very high90.4Very high30 Ų3033.5 Ų33.516%0.15719%0.188CC..EExtended strand (participates in β ladder)trans-65.9118.1169.8-177.371.7000108.5Y46 F51 A80 P117 F119 G126Y46-L124 HydrophobicContact CD1-CB 4.23Å; Y46-L124 HydrophobicContact CD1-CD2 3.86Å; Y46-L124 HydrophobicContact CD1-CG 4.06Å; Y46-L124 WeakPolarHBondContact CD1-O 3.49Å; Y46-L124 HydrophobicContact CD2-CD2 3.91Å; Y46-L124 HydrophobicContact CE1-CD2 4.09Å; Y46-L124 HydrophobicContact CE2-CD2 4.16Å; Y46-L124 HydrophobicContact CG-CD2 3.74Å; Y46-L124 HydrophobicContact CG-CG 4.04Å; F51-L124 HydrophobicContact CZ-CD2 4.27Å; A80-L124 HydrophobicContact CB-CD2 3.64Å; P117-L124 HydrophobicContact CB-CD1 3.92Å; F119-L124 HydrophobicContact CD1-CB 4.15Å; F119-L124 HydrophobicContact CD1-CD1 4.42Å; F119-L124 HydrophobicContact CE1-CB 3.77Å; F119-L124 HydrophobicContact CE1-CD1 3.97Å; F119-L124 HydrophobicContact CE1-CG 4.49Å; F119-L124 HydrophobicContact CE2-CD1 4.29Å; F119-L124 HydrophobicContact CZ-CB 4.47Å; F119-L124 HydrophobicContact CZ-CD1 3.88Å; L124-G126 VanDerWaalsContact CD1-O 3.3Å; L124-G126 WeakPolarHBondContact CD1-O 3.38Å
125I94.6Very high89.6Confident19 Ų1936.8 Ų36.810%0.09721%0.209CC..EExtended strand (participates in β ladder)trans-109.1-15.3179.156.6163.9000112.4Y46 L118 A120 N123 A154 L157 L161Y46-I125 PolarHBondContact N-O 3.41Å; L118-I125 HydrophobicContact CB-CG1 4.23Å; L118-I125 WeakPolarHBondContact O-CG1 3.37Å; L118-I125 PolarHBondContact O-N 3.08Å; A120-I125 HydrophobicContact CB-CD1 4.06Å; A120-I125 HydrophobicContact CB-CG1 4.43Å; A120-I125 HydrophobicContact CB-CG2 3.75Å; N123-I125 PolarHBondContact O-N 3.43Å; I125-A154 WeakPolarHBondContact CD1-O 3.44Å; I125-L157 HydrophobicContact CB-CD2 4.49Å; I125-L157 HydrophobicContact CD1-CB 4.06Å; I125-L157 HydrophobicContact CD1-CD2 4.1Å; I125-L157 HydrophobicContact CD1-CG 3.99Å; I125-L157 HydrophobicContact CG1-CD2 4.15Å; I125-L161 HydrophobicContact CB-CD1 4.15Å; I125-L161 HydrophobicContact CG2-CD1 4.43Å
126G95.5Very high88.8Confident0 Ų041.1 Ų41.10%023%0.233CC..EExtended strand (participates in β ladder)trans179.9-173.1-176.600000114.2L44 L118 L124L44-G126 CarbonylContact O-C 3.56Å; L44-G126 WeakPolarHBondContact O-CA 3.32Å; L118-G126 WeakPolarHBondContact CB-O 3.13Å; L118-G126 PolarHBondContact N-O 2.98Å; L118-G126 PolarHBondContact O-N 2.82Å; L124-G126 VanDerWaalsContact CD1-O 3.3Å; L124-G126 WeakPolarHBondContact CD1-O 3.38Å
127A96.4Very high88.1Confident0 Ų042.7 Ų42.70%024%0.24CC..EExtended strand (participates in β ladder)trans-145.3148172.200000109.4L44 F51 I79 L116L44-A127 HydrophobicContact CB-CB 4.46Å; L44-A127 WeakPolarHBondContact CB-O 3.37Å; L44-A127 HydrophobicContact CD1-CB 4.36Å; L44-A127 PolarHBondContact N-O 3.49Å; L44-A127 PolarHBondContact O-N 3.37Å; F51-A127 HydrophobicContact CD1-CB 4.11Å; F51-A127 HydrophobicContact CE1-CB 3.45Å; F51-A127 VanDerWaalsContact CE1-CB 3.45Å; F51-A127 HydrophobicContact CZ-CB 3.76Å; I79-A127 HydrophobicContact CG2-CB 3.92Å; L116-A127 CarbonylContact O-C 3.55Å; L116-A127 VanDerWaalsContact O-CA 3.29Å; L116-A127 WeakPolarHBondContact O-CA 3.27Å
128L94.7Very high87.5Confident0 Ų042.4 Ų42.40%024%0.238CC..EExtended strand (participates in β ladder)trans-112.2122167.8168.465.3000107.5I29 L32 A42 L116 L118 L130 I149 A153I29-L128 HydrophobicContact CD1-CD1 3.34Å; L32-L128 HydrophobicContact CD1-CD1 4.11Å; L32-L128 HydrophobicContact CD1-CD2 3.6Å; A42-L128 WeakPolarHBondContact O-CA 3.47Å; L116-L128 HydrophobicContact CB-CB 4.16Å; L116-L128 HydrophobicContact CD1-CD2 3.82Å; L116-L128 HydrophobicContact CD1-CG 4.26Å; L116-L128 PolarHBondContact N-O 3.04Å; L116-L128 PolarHBondContact O-N 2.92Å; L118-L128 HydrophobicContact CD1-CB 4.43Å; L118-L128 HydrophobicContact CD2-CB 4.31Å; L128-L130 HydrophobicContact CD1-CD2 4.36Å; L128-L130 HydrophobicContact CG-CD2 4.42Å; L128-I149 HydrophobicContact CD2-CG2 3.75Å; L128-A153 HydrophobicContact CD2-CB 4.4Å
129T93.3Very high86.9Confident1 Ų147.7 Ų47.71%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-107.8140.8176.162.60000110S41 A42 L44 L76 I79 Y98 V114S41-T129 WeakPolarHBondContact CA-O 3.12Å; S41-T129 WeakPolarHBondContact CB-O 2.94Å; A42-T129 WeakPolarHBondContact CB-OG1 3.11Å; A42-T129 PolarHBondContact N-O 3Å; A42-T129 PolarHBondContact O-N 3.25Å; L44-T129 HydrophobicContact CD1-CG2 4.09Å; L76-T129 HydrophobicContact CD2-CG2 4.17Å; I79-T129 HydrophobicContact CD1-CG2 4.14Å; Y98-T129 HydrophobicContact CE2-CG2 4.2Å; Y98-T129 VanDerWaalsContact CE2-OG1 3.3Å; Y98-T129 WeakPolarHBondContact CE2-OG1 3.17Å; Y98-T129 PolarHBondContact OH-OG1 3.02Å; V114-T129 WeakPolarHBondContact O-CA 3.44Å
130L90.4Very high86.5Confident0 Ų049 Ų490%028%0.279CS..EExtended strand (participates in β ladder)trans-130.4123.9179.9-56.1166.1000107.5L36 C113 V114 L116 L128 F138 L146L36-L130 HydrophobicContact CD1-CD1 3.62Å; L36-L130 HydrophobicContact CD1-CD2 3.77Å; L36-L130 HydrophobicContact CD1-CG 4.33Å; C113-L130 WeakPolarHBondContact CA-O 3.31Å; V114-L130 HydrophobicContact CB-CB 4.34Å; V114-L130 HydrophobicContact CB-CD1 4.49Å; V114-L130 HydrophobicContact CG1-CD1 4.47Å; V114-L130 PolarHBondContact N-O 3.3Å; V114-L130 PolarHBondContact O-N 3.43Å; L116-L130 HydrophobicContact CD1-CD1 4.1Å; L128-L130 HydrophobicContact CD1-CD2 4.36Å; L128-L130 HydrophobicContact CG-CD2 4.42Å; L130-F138 HydrophobicContact CB-CE1 4.4Å; L130-F138 HydrophobicContact CB-CZ 4.12Å; L130-L146 HydrophobicContact CD1-CD2 4.33Å
131D86.7Confident86.2Confident0 Ų049 Ų490%027%0.273CS..EExtended strand (participates in β ladder)trans-120.6136.3-176.9-64.8-53.6000110.3D39 A40 Y98 V110 A112 C113D39-D131 PolarHBondContact N-O 3.11Å; A40-D131 HydrophobicContact CB-CB 4.06Å; A40-D131 PolarHBondContact N-O 2.62Å; A40-D131 VanDerWaalsContact N-O 3.1Å; A40-D131 PolarHBondContact O-N 2.72Å; Y98-D131 WeakPolarHBondContact CD2-OD2 3.5Å; V110-D131 HydrophobicContact CG1-CB 3.87Å; A112-D131 WeakPolarHBondContact O-CA 3.5Å; C113-D131 WeakPolarHBondContact CB-OD1 3.21Å; C113-D131 PolarHBondContact SG-OD1 3.26Å
132G82.6Confident86.3Confident0 Ų047.9 Ų47.90%025%0.253CS..EExtended strand (participates in β ladder)trans-128.5143.4-177.800000111.1H111 A112H111-G132 PolarHBondContact N-O 3.37Å; A112-G132 PolarHBondContact N-O 3.14Å; A112-G132 PolarHBondContact O-N 3.47Å
133M75.1Confident86.4Confident33 Ų3342 Ų4216%0.16323%0.228CC..SBendtrans-82.5-17.4175.8-67-61.5-66.200112.2D39 I102 Q105 L108 Q137D39-M133 HydrophobicContact CB-CG 3.98Å; D39-M133 WeakPolarHBondContact OD2-CB 3.39Å; D39-M133 WeakPolarHBondContact OD2-CG 3.38Å; D39-M133 PolarHBondContact OD2-N 2.98Å; I102-M133 HydrophobicContact CD1-SD 4.22Å; Q105-M133 HydrophobicContact CG-CE 4.4Å; Q105-M133 PolarHBondContact OE1-SD 3.26Å; L108-M133 HydrophobicContact CB-CE 3.97Å; L108-M133 HydrophobicContact CD1-CE 4.04Å; L108-M133 HydrophobicContact CG-CE 4.5Å; M133-Q137 VanDerWaalsContact N-OE1 3.08Å
134Q76.6Confident86.3Confident124 Ų12443.6 Ų43.658%0.57923%0.231SC*.SBendtrans-100.2133.5174-61.5-169.8-12.200111.1A112 D136 Q137A112-Q134 VanDerWaalsContact CB-O 3.27Å; A112-Q134 WeakPolarHBondContact CB-O 3.35Å; Q134-D136 PolarHBondContact O-N 2.89Å; Q134-D136 VanDerWaalsContact O-N 3.15Å; Q134-Q137 HydrophobicContact CB-CB 4.12Å; Q134-Q137 WeakPolarHBondContact O-CB 3.25Å; Q134-Q137 PolarHBondContact O-N 3.41Å
135P72.7Confident86Confident72 Ų7243.3 Ų43.347%0.46823%0.23SC..THydrogen-bonded Turntrans-53.7-33.4-177.8-28.334.8000115.5A90 H111A90-P135 HydrophobicContact CB-CB 3.9Å; A90-P135 HydrophobicContact CB-CG 4.21Å; H111-P135 HydrophobicContact CB-CG 4.13Å
136D77.1Confident85.8Confident92 Ų9242.4 Ų42.449%0.49223%0.225SC..THydrogen-bonded Turntrans-109.67.4-170.956.5-28.6000113Q134 F138 D139Q134-D136 PolarHBondContact O-N 2.89Å; Q134-D136 VanDerWaalsContact O-N 3.15Å; D136-F138 PolarHBondContact O-N 2.99Å; D136-D139 WeakPolarHBondContact O-CB 3.42Å; D136-D139 PolarHBondContact O-N 2.85Å
137Q80.5Confident85.6Confident33 Ų3347.5 Ų47.515%0.15424%0.244CC..THydrogen-bonded Turntrans-54.2-33.3-175.8-165.1162.8-1700113.1E37 D39 M133 Q134E37-Q137 PolarHBondContact O-NE2 3.45Å; D39-Q137 PolarHBondContact OD2-NE2 2.95Å; D39-Q137 VanDerWaalsContact OD2-NE2 3.12Å; D39-Q137 PolarHBondContact OD2-OE1 3.38Å; M133-Q137 VanDerWaalsContact N-OE1 3.08Å; Q134-Q137 HydrophobicContact CB-CB 4.12Å; Q134-Q137 WeakPolarHBondContact O-CB 3.25Å; Q134-Q137 PolarHBondContact O-N 3.41Å
138F81.8Confident85.2Confident5 Ų551.4 Ų51.42%0.02227%0.265CS..THydrogen-bonded Turntrans-100.4-3.2-177.8-53.9-54.5000114C38 R87 A112 V114 L130 D136 V140 F141C38-F138 HydrophobicContact CB-CE1 3.64Å; C38-F138 HydrophobicContact CB-CZ 3.73Å; R87-F138 PolarHBondContact NH1-O 2.86Å; A112-F138 HydrophobicContact CB-CD2 3.77Å; A112-F138 HydrophobicContact CB-CE2 3.95Å; V114-F138 HydrophobicContact CB-CD2 4.42Å; V114-F138 HydrophobicContact CG2-CB 3.71Å; V114-F138 HydrophobicContact CG2-CD2 3.55Å; V114-F138 HydrophobicContact CG2-CE2 4.36Å; V114-F138 HydrophobicContact CG2-CG 3.75Å; L130-F138 HydrophobicContact CB-CE1 4.4Å; L130-F138 HydrophobicContact CB-CZ 4.12Å; D136-F138 PolarHBondContact O-N 2.99Å; F138-V140 PolarHBondContact O-N 3.03Å; F138-F141 PolarHBondContact O-N 3.06Å
139D82.3Confident84.9Confident112 Ų11251.5 Ų51.560%0.59927%0.265SS*.THydrogen-bonded Turntrans-68.8-18.9-179.6-71.1-11000112.4R87 D136 F141R87-D139 IonicContact NH1-OD1 3.32Å; D136-D139 WeakPolarHBondContact O-CB 3.42Å; D136-D139 PolarHBondContact O-N 2.85Å; D139-F141 VanDerWaalsContact C-N 3.28Å; D139-F141 PolarHBondContact O-N 3.28Å
140V85.1Confident84.8Confident94 Ų9452 Ų5257%0.5727%0.269SS*.THydrogen-bonded Turntrans-69.6-26.1176.7-174.90000112.4F138F138-V140 PolarHBondContact O-N 3.03Å
141F85.1Confident84.8Confident33 Ų3354.8 Ų54.815%0.14529%0.292CS..SBendtrans-93.7134.6179.7-58-72.9000109.9F3 L36 R87 F138 D139 L146F3-F141 AromaticContact CE2-CD1 3.64Å; F3-F141 HydrophobicContact CE2-CD1 3.64Å; F3-F141 AromaticContact CE2-CE1 3.99Å; F3-F141 HydrophobicContact CE2-CE1 3.99Å; F3-F141 AromaticContact CZ-CD1 3.98Å; F3-F141 HydrophobicContact CZ-CD1 3.98Å; F3-F141 AromaticContact CZ-CE1 3.89Å; F3-F141 HydrophobicContact CZ-CE1 3.89Å; L36-F141 HydrophobicContact CB-CE2 4.44Å; L36-F141 HydrophobicContact CB-CZ 4.47Å; L36-F141 HydrophobicContact CD2-CD1 4.1Å; L36-F141 HydrophobicContact CD2-CD2 4.08Å; L36-F141 HydrophobicContact CD2-CE1 3.85Å; L36-F141 HydrophobicContact CD2-CE2 3.83Å; L36-F141 HydrophobicContact CD2-CG 4.21Å; L36-F141 HydrophobicContact CD2-CZ 3.72Å; R87-F141 PolarHBondContact NH2-O 2.95Å; F138-F141 PolarHBondContact O-N 3.06Å; D139-F141 VanDerWaalsContact C-N 3.28Å; D139-F141 PolarHBondContact O-N 3.28Å; F141-L146 HydrophobicContact CB-CD2 4.34Å; F141-L146 HydrophobicContact CB-CG 4.26Å
142S88.8Confident84.8Confident51 Ų5157.1 Ų57.136%0.35730%0.304SS..  trans-76.8156.9172.364.10000111.3E144 E145 L146S142-E144 PolarHBondContact O-N 2.91Å; S142-E145 PolarHBondContact N-OE2 3.06Å; S142-E145 WeakPolarHBondContact O-CB 3.23Å; S142-E145 PolarHBondContact O-N 3.23Å; S142-E145 VanDerWaalsContact OG-CD 3.32Å; S142-E145 WeakPolarHBondContact OG-CG 3.41Å; S142-E145 PolarHBondContact OG-N 2.62Å; S142-E145 PolarHBondContact OG-OE2 2.92Å; S142-L146 PolarHBondContact O-N 3.04Å; S142-L146 VanDerWaalsContact O-N 3.16Å
143D89.8Confident85.1Confident64 Ų6457.1 Ų57.134%0.34230%0.304SS..Hα-helixtrans-63.4-28.6175.4-66.8-11000112.1R87 E145 L146 R147R87-D143 IonicContact CZ-OD1 2.95Å; R87-D143 VanDerWaalsContact CZ-OD1 3.31Å; R87-D143 IonicContact NE-OD1 3.65Å; R87-D143 PolarHBondContact NE-OD1 2.81Å; R87-D143 IonicContact NH2-OD1 3.83Å; R87-D143 PolarHBondContact NH2-OD1 3.42Å; D143-E145 VanDerWaalsContact C-N 3.35Å; D143-L146 PolarHBondContact O-N 3Å; D143-R147 WeakPolarHBondContact O-CB 3.14Å; D143-R147 VanDerWaalsContact O-CG 3.26Å; D143-R147 WeakPolarHBondContact O-CG 3.5Å; D143-R147 PolarHBondContact O-N 2.79Å
144E88.9Confident85.9Confident152 Ų15255.8 Ų55.871%0.7130%0.299SS*.Hα-helixtrans-64.1-39.9175.6-170169.5-169.300112.2S142 R147 L148S142-E144 PolarHBondContact O-N 2.91Å; E144-R147 PolarHBondContact O-N 3.1Å; E144-L148 PolarHBondContact O-N 3.27Å; E144-L148 VanDerWaalsContact O-N 3.14Å
145E87.7Confident86.5Confident25 Ų2551.5 Ų51.512%0.11729%0.288CS..Hα-helixtrans-68.9-42.6176.2-72.9171.8125.800112.7S2 F3 S142 D143 R147 L148 I149S2-E145 WeakPolarHBondContact CA-OE1 3.44Å; F3-E145 HydrophobicContact CD2-CB 3.56Å; F3-E145 HydrophobicContact CD2-CG 3.69Å; F3-E145 WeakPolarHBondContact CD2-OE1 3.42Å; F3-E145 HydrophobicContact CE2-CB 3.73Å; F3-E145 HydrophobicContact CE2-CG 4.31Å; F3-E145 PolarHBondContact N-OE1 2.97Å; S142-E145 PolarHBondContact N-OE2 3.06Å; S142-E145 WeakPolarHBondContact O-CB 3.23Å; S142-E145 PolarHBondContact O-N 3.23Å; S142-E145 VanDerWaalsContact OG-CD 3.32Å; S142-E145 WeakPolarHBondContact OG-CG 3.41Å; S142-E145 PolarHBondContact OG-N 2.62Å; S142-E145 PolarHBondContact OG-OE2 2.92Å; D143-E145 VanDerWaalsContact C-N 3.35Å; E145-R147 VanDerWaalsContact C-N 3.32Å; E145-R147 PolarHBondContact O-N 2.9Å; E145-L148 WeakPolarHBondContact O-CB 3.48Å; E145-L148 PolarHBondContact O-N 3.33Å; E145-L148 VanDerWaalsContact O-N 3.14Å; E145-I149 PolarHBondContact O-N 3.18Å; E145-I149 VanDerWaalsContact O-N 3.14Å
146L90.4Very high87.1Confident0 Ų048.9 Ų48.90%027%0.272CS..Hα-helixtrans-64.5-37.6175.9-69.3174.3000111.6V85 R87 V114 L116 L130 F141 S142 D143 L148 I149 A150V85-L146 HydrophobicContact CG1-CB 4.34Å; V85-L146 HydrophobicContact CG1-CD1 3.86Å; V85-L146 HydrophobicContact CG2-CB 3.98Å; R87-L146 VanDerWaalsContact NH2-CD1 3.35Å; V114-L146 HydrophobicContact CG1-CD1 3.96Å; L116-L146 HydrophobicContact CD2-CB 3.84Å; L130-L146 HydrophobicContact CD1-CD2 4.33Å; F141-L146 HydrophobicContact CB-CD2 4.34Å; F141-L146 HydrophobicContact CB-CG 4.26Å; S142-L146 PolarHBondContact O-N 3.04Å; S142-L146 VanDerWaalsContact O-N 3.16Å; D143-L146 PolarHBondContact O-N 3Å; L146-L148 VanDerWaalsContact C-N 3.28Å; L146-L148 PolarHBondContact O-N 2.9Å; L146-I149 PolarHBondContact O-N 3.34Å; L146-A150 WeakPolarHBondContact O-CB 3.32Å; L146-A150 PolarHBondContact O-N 3.3Å
147R91.1Very high87.6Confident107 Ų10744.5 Ų44.540%0.40425%0.249SC..Hα-helixtrans-60.7-38.2171.6-77.8-179-157.6115.43.9112.1D84 V85 D143 E144 E145 A150 A151D84-R147 VanDerWaalsContact CG-NE 3.32Å; D84-R147 WeakPolarHBondContact OD1-CD 3.38Å; D84-R147 WeakPolarHBondContact OD1-CG 3.26Å; D84-R147 IonicContact OD1-CZ 3.67Å; D84-R147 IonicContact OD1-NE 3.16Å; D84-R147 PolarHBondContact OD1-NE 3.32Å; D84-R147 IonicContact OD1-NH2 3.15Å; D84-R147 IonicContact OD2-CZ 3.02Å; D84-R147 VanDerWaalsContact OD2-CZ 3.3Å; D84-R147 IonicContact OD2-NE 3.34Å; D84-R147 PolarHBondContact OD2-NE 2.85Å; D84-R147 IonicContact OD2-NH2 2.62Å; D84-R147 PolarHBondContact OD2-NH2 3.02Å; V85-R147 HydrophobicContact CG2-CG 3.81Å; D143-R147 WeakPolarHBondContact O-CB 3.14Å; D143-R147 VanDerWaalsContact O-CG 3.26Å; D143-R147 WeakPolarHBondContact O-CG 3.5Å; D143-R147 PolarHBondContact O-N 2.79Å; E144-R147 PolarHBondContact O-N 3.1Å; E145-R147 VanDerWaalsContact C-N 3.32Å; E145-R147 PolarHBondContact O-N 2.9Å; R147-A150 WeakPolarHBondContact O-CB 3.4Å; R147-A150 PolarHBondContact O-N 3.35Å; R147-A151 WeakPolarHBondContact O-CB 3.31Å; R147-A151 PolarHBondContact O-N 2.91Å
148L88.4Confident88.1Confident82 Ų8244.9 Ų44.943%0.42926%0.255SS..Hα-helixtrans-65.5-42.2178.5-167.170.7000111.5L8 E144 E145 L146 A151 L152L8-L148 HydrophobicContact CD1-CD2 3.29Å; L8-L148 HydrophobicContact CD2-CD2 3.42Å; L8-L148 VanDerWaalsContact CD2-CD2 3.42Å; L8-L148 HydrophobicContact CD2-CG 3.99Å; L8-L148 HydrophobicContact CG-CD2 3.93Å; E144-L148 PolarHBondContact O-N 3.27Å; E144-L148 VanDerWaalsContact O-N 3.14Å; E145-L148 WeakPolarHBondContact O-CB 3.48Å; E145-L148 PolarHBondContact O-N 3.33Å; E145-L148 VanDerWaalsContact O-N 3.14Å; L146-L148 VanDerWaalsContact C-N 3.28Å; L146-L148 PolarHBondContact O-N 2.9Å; L148-A151 PolarHBondContact O-N 2.83Å; L148-L152 WeakPolarHBondContact O-CG 3.38Å; L148-L152 PolarHBondContact O-N 3.08Å; L148-L152 VanDerWaalsContact O-N 3.07Å
149I88.1Confident88.3Confident1 Ų149.3 Ų49.31%0.00528%0.279CS..Hα-helixtrans-61-46.1172.2-70.8162.8000110.8F3 L32 L36 L116 L128 E145 L146 A151 L152 A153F3-I149 HydrophobicContact CE1-CD1 4.07Å; F3-I149 HydrophobicContact CE2-CD1 3.81Å; F3-I149 HydrophobicContact CZ-CD1 3.4Å; F3-I149 VanDerWaalsContact CZ-CD1 3.4Å; F3-I149 HydrophobicContact CZ-CG1 4.39Å; L32-I149 HydrophobicContact CD1-CG2 4.22Å; L32-I149 HydrophobicContact CD2-CD1 4.42Å; L32-I149 HydrophobicContact CD2-CG1 4.34Å; L32-I149 HydrophobicContact CD2-CG2 3.58Å; L36-I149 HydrophobicContact CD1-CD1 4.12Å; L36-I149 HydrophobicContact CD2-CD1 3.87Å; L36-I149 HydrophobicContact CG-CD1 4.36Å; L116-I149 HydrophobicContact CD1-CG2 4.26Å; L128-I149 HydrophobicContact CD2-CG2 3.75Å; E145-I149 PolarHBondContact O-N 3.18Å; E145-I149 VanDerWaalsContact O-N 3.14Å; L146-I149 PolarHBondContact O-N 3.34Å; I149-A151 VanDerWaalsContact C-N 3.3Å; I149-A151 PolarHBondContact O-N 3.44Å; I149-L152 PolarHBondContact O-N 2.95Å; I149-A153 WeakPolarHBondContact O-CB 3.5Å; I149-A153 PolarHBondContact O-N 2.99Å
150A91.2Very high88.4Confident11 Ų1144.3 Ų44.39%0.09125%0.253CS..Hα-helixtrans-58.2-43.6177.600000111.2L116 L118 L146 R147 L152 A153 A154L116-A150 HydrophobicContact CB-CB 3.97Å; L116-A150 HydrophobicContact CD1-CB 4.41Å; L118-A150 HydrophobicContact CD2-CB 4.12Å; L118-A150 VanDerWaalsContact CD2-O 3.29Å; L118-A150 WeakPolarHBondContact CD2-O 3.31Å; L146-A150 WeakPolarHBondContact O-CB 3.32Å; L146-A150 PolarHBondContact O-N 3.3Å; R147-A150 WeakPolarHBondContact O-CB 3.4Å; R147-A150 PolarHBondContact O-N 3.35Å; A150-L152 PolarHBondContact O-N 2.93Å; A150-A153 PolarHBondContact O-N 3.27Å; A150-A154 WeakPolarHBondContact O-CB 3.45Å; A150-A154 PolarHBondContact O-N 2.86Å
151A89.9Confident88.3Confident60 Ų6042 Ų4250%0.49624%0.237SC..Hα-helixtrans-62.9-41.1177.700000112.5R147 L148 I149 G155R147-A151 WeakPolarHBondContact O-CB 3.31Å; R147-A151 PolarHBondContact O-N 2.91Å; L148-A151 PolarHBondContact O-N 2.83Å; I149-A151 VanDerWaalsContact C-N 3.3Å; I149-A151 PolarHBondContact O-N 3.44Å; A151-G155 PolarHBondContact O-N 2.99Å
152L87.1Confident88.3Confident48 Ų4844.7 Ų44.725%0.25125%0.253SS..Hα-helixtrans-65.3-48.2175.9-70.4172.4000111.7L8 I11 A12 L15 L148 I149 A150 A154 G155 A156L8-L152 HydrophobicContact CD2-CD1 4.06Å; I11-L152 HydrophobicContact CB-CD1 4.38Å; I11-L152 HydrophobicContact CG2-CB 4.37Å; I11-L152 HydrophobicContact CG2-CD1 3.95Å; A12-L152 HydrophobicContact CB-CD2 4.28Å; L15-L152 HydrophobicContact CD1-CB 3.93Å; L15-L152 WeakPolarHBondContact CD1-O 3.41Å; L148-L152 WeakPolarHBondContact O-CG 3.38Å; L148-L152 PolarHBondContact O-N 3.08Å; L148-L152 VanDerWaalsContact O-N 3.07Å; I149-L152 PolarHBondContact O-N 2.95Å; A150-L152 PolarHBondContact O-N 2.93Å; L152-A154 VanDerWaalsContact C-N 3.33Å; L152-A154 PolarHBondContact O-N 3.42Å; L152-G155 PolarHBondContact O-N 3.33Å; L152-A156 PolarHBondContact O-N 3.05Å
153A89.2Confident87.9Confident0 Ų045.1 Ų45.10%025%0.25CS..Hα-helixtrans-62.7-40.6177.500000111.7L28 L118 L128 I149 A150 A156 L157L28-A153 HydrophobicContact CD2-CB 4.18Å; L118-A153 HydrophobicContact CD1-CB 4.21Å; L118-A153 HydrophobicContact CD2-CB 3.93Å; L128-A153 HydrophobicContact CD2-CB 4.4Å; I149-A153 WeakPolarHBondContact O-CB 3.5Å; I149-A153 PolarHBondContact O-N 2.99Å; A150-A153 PolarHBondContact O-N 3.27Å; A153-A156 PolarHBondContact O-N 3.3Å; A153-L157 WeakPolarHBondContact O-CB 3.5Å; A153-L157 PolarHBondContact O-N 2.9Å
154A92Very high87.3Confident6 Ų646.7 Ų46.75%0.0526%0.256CS..Hα-helixtrans-63.8-44.4175.600000111.6L118 I125 A150 L152 A156 L157 S158L118-A154 HydrophobicContact CB-CB 3.87Å; L118-A154 HydrophobicContact CD2-CB 4.21Å; I125-A154 WeakPolarHBondContact CD1-O 3.44Å; A150-A154 WeakPolarHBondContact O-CB 3.45Å; A150-A154 PolarHBondContact O-N 2.86Å; L152-A154 VanDerWaalsContact C-N 3.33Å; L152-A154 PolarHBondContact O-N 3.42Å; A154-A156 VanDerWaalsContact C-N 3.34Å; A154-A156 PolarHBondContact O-N 3.38Å; A154-L157 PolarHBondContact O-N 3.29Å; A154-S158 WeakPolarHBondContact O-CB 3.43Å; A154-S158 PolarHBondContact O-N 3.08Å
155G88.7Confident86.7Confident33 Ų3344.7 Ų44.734%0.3425%0.247SC..Hα-helixtrans-60-43.917600000112.3A151 L152 S158 N159A151-G155 PolarHBondContact O-N 2.99Å; L152-G155 PolarHBondContact O-N 3.33Å; G155-S158 PolarHBondContact O-N 3.47Å; G155-N159 WeakPolarHBondContact O-CB 3.49Å; G155-N159 PolarHBondContact O-N 2.94Å; G155-N159 PolarHBondContact O-ND2 3.04Å
156A84.9Confident86.2Confident17 Ų1747.5 Ų47.514%0.1426%0.262CS..Hα-helixtrans-66.1-44.1176.500000113.6L15 L152 A153 A154 N159 A160L15-A156 HydrophobicContact CB-CB 4.2Å; L15-A156 HydrophobicContact CD1-CB 3.94Å; L15-A156 HydrophobicContact CD2-CB 3.17Å; L15-A156 HydrophobicContact CG-CB 3.94Å; L152-A156 PolarHBondContact O-N 3.05Å; A153-A156 PolarHBondContact O-N 3.3Å; A154-A156 VanDerWaalsContact C-N 3.34Å; A154-A156 PolarHBondContact O-N 3.38Å; A156-N159 PolarHBondContact O-N 2.79Å; A156-A160 WeakPolarHBondContact O-CB 2.93Å; A156-A160 PolarHBondContact O-N 3.08Å
157L88.9Confident85.2Confident1 Ų153 Ų531%0.00529%0.288CS..Hα-helixtrans-63.4-44.2176.1-179.357.9000110.9F25 L54 L118 I125 A153 A154 N159 A160 L161F25-L157 HydrophobicContact CE1-CB 4.48Å; F25-L157 HydrophobicContact CE1-CD1 4.25Å; F25-L157 HydrophobicContact CE2-CD1 4.49Å; F25-L157 HydrophobicContact CZ-CD1 3.76Å; L54-L157 HydrophobicContact CD1-CD1 3.43Å; L54-L157 VanDerWaalsContact CD1-CD1 3.43Å; L118-L157 HydrophobicContact CD1-CD2 4.03Å; I125-L157 HydrophobicContact CB-CD2 4.49Å; I125-L157 HydrophobicContact CD1-CB 4.06Å; I125-L157 HydrophobicContact CD1-CD2 4.1Å; I125-L157 HydrophobicContact CD1-CG 3.99Å; I125-L157 HydrophobicContact CG1-CD2 4.15Å; A153-L157 WeakPolarHBondContact O-CB 3.5Å; A153-L157 PolarHBondContact O-N 2.9Å; A154-L157 PolarHBondContact O-N 3.29Å; L157-N159 VanDerWaalsContact C-N 3.35Å; L157-N159 PolarHBondContact O-N 3.34Å; L157-A160 WeakPolarHBondContact O-CB 3.23Å; L157-A160 PolarHBondContact O-N 3.27Å; L157-L161 HydrophobicContact CD1-CD1 4.25Å; L157-L161 HydrophobicContact CD1-CG 4.19Å; L157-L161 HydrophobicContact CG-CD1 4.09Å; L157-L161 HydrophobicContact CG-CG 4.46Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.4Å; L157-L161 PolarHBondContact O-N 3Å
158S90.4Very high83.9Confident40 Ų4051.3 Ų51.328%0.2829%0.292SS..Hα-helixtrans-59.4-45176.8-171.60000111.7A154 G155 A160 L161 L162A154-S158 WeakPolarHBondContact O-CB 3.43Å; A154-S158 PolarHBondContact O-N 3.08Å; G155-S158 PolarHBondContact O-N 3.47Å; S158-A160 VanDerWaalsContact C-N 3.31Å; S158-A160 PolarHBondContact O-N 3.23Å; S158-L161 PolarHBondContact O-N 2.97Å; S158-L162 WeakPolarHBondContact O-CB 3.33Å; S158-L162 PolarHBondContact O-N 3.24Å
159N86.1Confident82.7Confident98 Ų9853 Ų5352%0.52430%0.298SS..Hα-helixtrans-63.7-39.2177-73.3-16.4000111.7G155 A156 L157 L162 I163G155-N159 WeakPolarHBondContact O-CB 3.49Å; G155-N159 PolarHBondContact O-N 2.94Å; G155-N159 PolarHBondContact O-ND2 3.04Å; A156-N159 PolarHBondContact O-N 2.79Å; L157-N159 VanDerWaalsContact C-N 3.35Å; L157-N159 PolarHBondContact O-N 3.34Å; N159-L162 PolarHBondContact O-N 2.89Å; N159-I163 WeakPolarHBondContact O-CD1 3.45Å; N159-I163 VanDerWaalsContact O-CG1 3.27Å; N159-I163 WeakPolarHBondContact O-CG1 3.45Å; N159-I163 PolarHBondContact O-N 3.03Å
160A83.5Confident81.1Confident8 Ų859.5 Ų59.57%0.06633%0.332CS..Hα-helixtrans-63.5-47.7177.400000112.2H21 F25 A156 L157 S158 L162 I163 E164H21-A160 VanDerWaalsContact CE1-CA 3.47Å; H21-A160 WeakPolarHBondContact CE1-CA 3.33Å; H21-A160 PolarHBondContact CE1-O 3.3Å; H21-A160 WeakPolarHBondContact ND1-CB 3.42Å; F25-A160 HydrophobicContact CE1-CB 4.26Å; F25-A160 HydrophobicContact CE2-CB 4.12Å; F25-A160 HydrophobicContact CZ-CB 3.41Å; F25-A160 VanDerWaalsContact CZ-CB 3.41Å; A156-A160 WeakPolarHBondContact O-CB 2.93Å; A156-A160 PolarHBondContact O-N 3.08Å; L157-A160 WeakPolarHBondContact O-CB 3.23Å; L157-A160 PolarHBondContact O-N 3.27Å; S158-A160 VanDerWaalsContact C-N 3.31Å; S158-A160 PolarHBondContact O-N 3.23Å; A160-L162 VanDerWaalsContact C-N 3.3Å; A160-L162 PolarHBondContact O-N 2.8Å; A160-I163 PolarHBondContact O-N 3.09Å; A160-E164 PolarHBondContact O-N 3.49Å
161L84.1Confident79.3Confident44 Ų4462.9 Ų62.923%0.2335%0.347CS..Hα-helixtrans-63.4-37.4177.6-65.4173.2000111.7R45 I125 L157 S158 E164 Q165R45-L161 HydrophobicContact CG-CD2 4.5Å; I125-L161 HydrophobicContact CB-CD1 4.15Å; I125-L161 HydrophobicContact CG2-CD1 4.43Å; L157-L161 HydrophobicContact CD1-CD1 4.25Å; L157-L161 HydrophobicContact CD1-CG 4.19Å; L157-L161 HydrophobicContact CG-CD1 4.09Å; L157-L161 HydrophobicContact CG-CG 4.46Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.4Å; L157-L161 PolarHBondContact O-N 3Å; S158-L161 PolarHBondContact O-N 2.97Å; L161-E164 PolarHBondContact O-N 3.2Å; L161-Q165 WeakPolarHBondContact O-CB 3.24Å; L161-Q165 PolarHBondContact O-N 3.5Å
162L84.8Confident77Confident91 Ų9164.6 Ų64.648%0.47635%0.348SS..Hα-helixtrans-65.5-42176.4-17368.6000111.7S158 N159 A160 Q165 L166S158-L162 WeakPolarHBondContact O-CB 3.33Å; S158-L162 PolarHBondContact O-N 3.24Å; N159-L162 PolarHBondContact O-N 2.89Å; A160-L162 VanDerWaalsContact C-N 3.3Å; A160-L162 PolarHBondContact O-N 2.8Å; L162-Q165 PolarHBondContact O-N 2.74Å; L162-L166 HydrophobicContact CG-CD1 4.21Å; L162-L166 WeakPolarHBondContact O-CB 3.44Å; L162-L166 VanDerWaalsContact O-CG 3.26Å; L162-L166 WeakPolarHBondContact O-CG 3.45Å; L162-L166 PolarHBondContact O-N 3.17Å
163I81.5Confident74.5Confident59 Ų5968.8 Ų68.830%0.30338%0.378SS..Hα-helixtrans-63.5-45.6175.8-68.6164000110.2N159 A160 Q165 L166 E167N159-I163 WeakPolarHBondContact O-CD1 3.45Å; N159-I163 VanDerWaalsContact O-CG1 3.27Å; N159-I163 WeakPolarHBondContact O-CG1 3.45Å; N159-I163 PolarHBondContact O-N 3.03Å; A160-I163 PolarHBondContact O-N 3.09Å; I163-Q165 VanDerWaalsContact C-N 3.27Å; I163-Q165 PolarHBondContact O-N 3Å; I163-L166 PolarHBondContact O-N 3.1Å; I163-L166 VanDerWaalsContact O-N 3.08Å; I163-E167 HydrophobicContact CG2-CG 4.22Å; I163-E167 WeakPolarHBondContact O-CB 3.43Å; I163-E167 WeakPolarHBondContact O-CG 3.5Å; I163-E167 PolarHBondContact O-N 3.18Å
164E77.1Confident72Confident98 Ų9871.6 Ų71.646%0.45841%0.407SS..Hα-helixtrans-57-41.6175.5-171.8178.4-17500111.4R45 A160 L161 S168R45-E164 IonicContact NH1-OE1 3.82Å; R45-E164 IonicContact NH1-OE2 3.72Å; A160-E164 PolarHBondContact O-N 3.49Å; L161-E164 PolarHBondContact O-N 3.2Å; E164-S168 WeakPolarHBondContact O-CB 3.42Å; E164-S168 PolarHBondContact O-N 3.2Å; E164-S168 PolarHBondContact O-OG 3.43Å
165Q76Confident69.3Low110 Ų11079.1 Ų79.151%0.51445%0.446SS..Hα-helixtrans-67.7-36.8175.5-168.8177.6-1600112.9L161 L162 I163 S168 Q169L161-Q165 WeakPolarHBondContact O-CB 3.24Å; L161-Q165 PolarHBondContact O-N 3.5Å; L162-Q165 PolarHBondContact O-N 2.74Å; I163-Q165 VanDerWaalsContact C-N 3.27Å; I163-Q165 PolarHBondContact O-N 3Å; Q165-S168 WeakPolarHBondContact CA-OG 3.49Å; Q165-S168 PolarHBondContact O-OG 3.02Å; Q165-Q169 VanDerWaalsContact O-CG 3.27Å; Q165-Q169 WeakPolarHBondContact O-CG 3.37Å; Q165-Q169 PolarHBondContact O-N 3.18Å
166L76.6Confident66.9Low84 Ų8482.1 Ų82.144%0.4447%0.468SS..Hα-helixtrans-73-38177.3-71.9169.4000112.1L162 I163 Q169 N170L162-L166 HydrophobicContact CG-CD1 4.21Å; L162-L166 WeakPolarHBondContact O-CB 3.44Å; L162-L166 VanDerWaalsContact O-CG 3.26Å; L162-L166 WeakPolarHBondContact O-CG 3.45Å; L162-L166 PolarHBondContact O-N 3.17Å; I163-L166 PolarHBondContact O-N 3.1Å; I163-L166 VanDerWaalsContact O-N 3.08Å; L166-Q169 PolarHBondContact O-N 3.19Å; L166-N170 WeakPolarHBondContact O-CB 3.41Å; L166-N170 PolarHBondContact O-N 2.93Å; L166-N170 PolarHBondContact O-ND2 2.99Å
167E69.7Low64.6Low116 Ų11685.3 Ų85.354%0.54249%0.486SS..Hα-helixtrans-64.7-44176.4-74.1-178.9168.800110.9I163 Q169 N170 M171I163-E167 HydrophobicContact CG2-CG 4.22Å; I163-E167 WeakPolarHBondContact O-CB 3.43Å; I163-E167 WeakPolarHBondContact O-CG 3.5Å; I163-E167 PolarHBondContact O-N 3.18Å; E167-Q169 VanDerWaalsContact C-N 3.31Å; E167-Q169 PolarHBondContact O-N 2.84Å; E167-N170 PolarHBondContact O-N 3.26Å; E167-M171 PolarHBondContact O-N 3.3Å
168S64.7Low62Low70 Ų7091.5 Ų91.549%0.4953%0.526SS..Hα-helixtrans-63.3-34.717552.10000113E164 Q165E164-S168 WeakPolarHBondContact O-CB 3.42Å; E164-S168 PolarHBondContact O-N 3.2Å; E164-S168 PolarHBondContact O-OG 3.43Å; Q165-S168 WeakPolarHBondContact CA-OG 3.49Å; Q165-S168 PolarHBondContact O-OG 3.02Å
169Q62.6Low59.6Low118 Ų11894.3 Ų94.355%0.55153%0.533SS*.Hα-helixtrans-74-32.3176.2-74.71792.600113.7Q165 L166 E167 M171Q165-Q169 VanDerWaalsContact O-CG 3.27Å; Q165-Q169 WeakPolarHBondContact O-CG 3.37Å; Q165-Q169 PolarHBondContact O-N 3.18Å; L166-Q169 PolarHBondContact O-N 3.19Å; E167-Q169 VanDerWaalsContact C-N 3.31Å; E167-Q169 PolarHBondContact O-N 2.84Å; Q169-M171 VanDerWaalsContact C-N 3.32Å; Q169-M171 PolarHBondContact O-N 3.27Å
170N55.1Low57.3Low137 Ų13798 Ų9873%0.73355%0.548SS*.Hα-helixtrans-79.4-11-177.7-79.9-30.3000113.9L166 E167 L172L166-N170 WeakPolarHBondContact O-CB 3.41Å; L166-N170 PolarHBondContact O-N 2.93Å; L166-N170 PolarHBondContact O-ND2 2.99Å; E167-N170 PolarHBondContact O-N 3.26Å; N170-L172 VanDerWaalsContact C-N 3.33Å; N170-L172 PolarHBondContact O-N 3.07Å
171M51.4Low55.2Low82 Ų82102.7 Ų102.740%0.40459%0.586SS.*THydrogen-bonded Turntrans-75.1-11.8-175.6-78.7-129.5-89.600115.1E167 Q169 E202 I203E167-M171 PolarHBondContact O-N 3.3Å; Q169-M171 VanDerWaalsContact C-N 3.32Å; Q169-M171 PolarHBondContact O-N 3.27Å; M171-E202 HydrophobicContact CE-CB 4.03Å; M171-E202 VanDerWaalsContact CE-OE2 3.31Å; M171-E202 WeakPolarHBondContact CE-OE2 3.43Å; M171-I203 HydrophobicContact CE-CG1 4.19Å; M171-I203 HydrophobicContact SD-CD1 4.42Å; M171-I203 HydrophobicContact SD-CG1 3.95Å
172L43.7Very low53.4Low96 Ų96103.4 Ų103.450%0.50359%0.592SS.*  trans-165130.2163.3-93.3138.4000111.5N170 G174 A206N170-L172 VanDerWaalsContact C-N 3.33Å; N170-L172 PolarHBondContact O-N 3.07Å; L172-G174 PolarHBondContact O-N 3.42Å; L172-A206 HydrophobicContact CD1-CB 3.54Å
173P33.5Very low51.9Low137 Ų137107.7 Ų107.789%0.8961%0.607SS**  trans-8293.7169.631.5-28.4000109.4
174G37.7Very low51.1Low59 Ų59112.8 Ų112.861%0.60863%0.629SS**SBendtrans-157.3109.8170.500000109.6L172 A176L172-G174 PolarHBondContact O-N 3.42Å; G174-A176 PolarHBondContact O-N 3.36Å
175D35.3Very low50.9Low164 Ų164109.1 Ų109.188%0.87761%0.614SS**  trans9.571.8172-68.5-27.7000115.8T177D175-T177 PolarHBondContact O-N 2.9Å
176A36.9Very low51.2Low96 Ų96106.8 Ų106.879%0.79360%0.603SS**  trans-75.781168.800000108.1G174G174-A176 PolarHBondContact O-N 3.36Å
177T36.5Very low51.9Low83 Ų83104.3 Ų104.351%0.50959%0.589SS.*  trans-56.3128.4157.9420000107.3D175 F179D175-T177 PolarHBondContact O-N 2.9Å; T177-F179 PolarHBondContact O-N 3.07Å; T177-F179 VanDerWaalsContact OG1-CD2 3.3Å; T177-F179 WeakPolarHBondContact OG1-CD2 3.44Å; T177-F179 WeakPolarHBondContact OG1-CE2 3.48Å
178P35.7Very low52.9Low131 Ų13199.5 Ų99.585%0.85157%0.567SS**  trans-69.784.2177.229.1-32.5000107.6E180P178-E180 PolarHBondContact O-N 3.43Å
179F40.1Very low54.1Low100 Ų10096.3 Ų96.344%0.43955%0.545SS..  trans-63.7134.9171.4-83.8-74.6000107.9T177 A181 V236T177-F179 PolarHBondContact O-N 3.07Å; T177-F179 VanDerWaalsContact OG1-CD2 3.3Å; T177-F179 WeakPolarHBondContact OG1-CD2 3.44Å; T177-F179 WeakPolarHBondContact OG1-CE2 3.48Å; F179-A181 PolarHBondContact O-N 3.22Å; F179-V236 HydrophobicContact CD1-CB 4.41Å; F179-V236 HydrophobicContact CD1-CG1 3.38Å; F179-V236 HydrophobicContact CD1-CG2 4.13Å; F179-V236 HydrophobicContact CE1-CB 4.4Å; F179-V236 HydrophobicContact CE1-CG1 3.8Å; F179-V236 HydrophobicContact CE1-CG2 3.67Å; F179-V236 HydrophobicContact CG-CG1 4.26Å; F179-V236 HydrophobicContact CZ-CG2 4.33Å
180E36.4Very low55.4Low176 Ų17693.9 Ų93.982%0.82254%0.536SS*.  trans-45.1138.2178.3-72.1-179.7145.500110.3P178 V182P178-E180 PolarHBondContact O-N 3.43Å; E180-V182 VanDerWaalsContact C-N 3.26Å; E180-V182 PolarHBondContact O-N 2.82Å
181A40.7Very low57.1Low106 Ų10688 Ų8888%0.87651%0.505SS*.  trans-6185.8-176.800000111.1F179 K183F179-A181 PolarHBondContact O-N 3.22Å; A181-K183 PolarHBondContact O-N 3.07Å
182V46.2Very low59Low58 Ų5889.4 Ų89.435%0.35252%0.521SS..  trans-59.6133.6165.5-177.70000106.3E180 Q184 E230E180-V182 VanDerWaalsContact C-N 3.26Å; E180-V182 PolarHBondContact O-N 2.82Å; V182-Q184 PolarHBondContact O-N 2.99Å; V182-E230 HydrophobicContact CG1-CG 4.23Å
183K52.5Low61.4Low181 Ų18186.5 Ų86.579%0.78751%0.514SS*.  trans-53.896.7-172.7-146-178.7-167.1-179.50110.2A181 T185A181-K183 PolarHBondContact O-N 3.07Å; K183-T185 PolarHBondContact O-N 2.75Å
184Q64.9Low64.3Low166 Ų16680.3 Ų80.378%0.77647%0.473SS*.  trans-60.6127.9-170.1-73.2-173.8-12.600111.3V182 Q186V182-Q184 PolarHBondContact O-N 2.99Å; Q184-Q186 PolarHBondContact O-N 3.16Å; Q184-Q186 VanDerWaalsContact O-N 3.11Å
185T73.2Confident66.8Low22 Ų2280.1 Ų80.114%0.13546%0.46CS..  trans-62.5113.5175.3-65.50000109.3K183 M187 L223 K226 E230K183-T185 PolarHBondContact O-N 2.75Å; T185-M187 PolarHBondContact O-N 3.48Å; T185-L223 HydrophobicContact CG2-CB 4.17Å; T185-L223 HydrophobicContact CG2-CD2 3.65Å; T185-K226 HydrophobicContact CG2-CD 4.42Å; T185-K226 WeakPolarHBondContact OG1-CD 3.44Å; T185-K226 WeakPolarHBondContact OG1-CE 3.15Å; T185-K226 VanDerWaalsContact OG1-CG 3.31Å; T185-K226 WeakPolarHBondContact OG1-CG 3.22Å; T185-E230 WeakPolarHBondContact CA-OE2 3.27Å; T185-E230 WeakPolarHBondContact CB-OE2 3.44Å; T185-E230 PolarHBondContact N-OE2 2.72Å; T185-E230 VanDerWaalsContact OG1-CD 3.24Å; T185-E230 PolarHBondContact OG1-OE1 3.02Å; T185-E230 PolarHBondContact OG1-OE2 3.29Å
186Q82.4Confident69.6Low60 Ų6076.8 Ų76.828%0.2844%0.44SS..  trans-83.9110.8-175.2-162.9173.64100111.5Q184Q184-Q186 PolarHBondContact O-N 3.16Å; Q184-Q186 VanDerWaalsContact O-N 3.11Å
187M89.9Confident72.4Confident32 Ų3272.4 Ų72.416%0.15840%0.402CS..  trans-89.4110.7172.6-71.5-175-72.500111.1T185 M194 K198 I201 V224 A227T185-M187 PolarHBondContact O-N 3.48Å; M187-M194 HydrophobicContact CB-CE 4.32Å; M187-K198 HydrophobicContact CE-CG 4.03Å; M187-K198 WeakPolarHBondContact O-CE 3.5Å; M187-K198 PolarHBondContact O-NZ 3.18Å; M187-I201 HydrophobicContact CE-CD1 3.43Å; M187-I201 VanDerWaalsContact CE-CD1 3.43Å; M187-I201 HydrophobicContact SD-CD1 3.68Å; M187-V224 HydrophobicContact SD-CG2 4.23Å; M187-A227 HydrophobicContact CE-CB 3.65Å; M187-A227 HydrophobicContact SD-CB 4.2Å
188I91Very high75.1Confident15 Ų1571 Ų718%0.07739%0.389CS..  trans-87.6126.1179.7-54.8-179.3000109.5L367 L368 Y371I188-L367 HydrophobicContact CG2-CB 4.05Å; I188-L368 HydrophobicContact CB-CD2 3.95Å; I188-L368 HydrophobicContact CG2-CD2 4.19Å; I188-Y371 HydrophobicContact CD1-CD1 3.8Å; I188-Y371 HydrophobicContact CD1-CD2 3.18Å; I188-Y371 HydrophobicContact CD1-CE1 4.29Å; I188-Y371 HydrophobicContact CD1-CE2 3.74Å; I188-Y371 HydrophobicContact CD1-CG 3.2Å
189G90.9Very high77.7Confident3 Ų369.9 Ų69.93%0.03137%0.371CS..  trans151.8137.8-17900000111K198 D364G189-K198 PolarHBondContact O-NZ 3.49Å; G189-D364 VanDerWaalsContact CA-CG 3.47Å; G189-D364 WeakPolarHBondContact CA-OD1 3.3Å; G189-D364 WeakPolarHBondContact CA-OD2 3.45Å
190L88.7Confident80.3Confident68 Ų6867.6 Ų67.636%0.35636%0.362SS..  trans-121.8-3.5-179.4-60.1179.3000111.9D364 L367L190-D364 PolarHBondContact N-OD1 3.25Å; L190-D364 PolarHBondContact N-OD2 3.49Å; L190-L367 HydrophobicContact CB-CD1 4.15Å; L190-L367 HydrophobicContact CD1-CD1 3.8Å; L190-L367 HydrophobicContact CG-CD1 3.74Å
191S92.3Very high83Confident12 Ų1259.5 Ų59.58%0.08432%0.324CS..SBendtrans-56.4152.4174.760.10000111.8G193 M194 T195 R361 D364S191-G193 PolarHBondContact O-N 2.99Å; S191-M194 PolarHBondContact O-N 3.31Å; S191-M194 VanDerWaalsContact O-N 3.1Å; S191-M194 WeakPolarHBondContact OG-CB 3.44Å; S191-M194 WeakPolarHBondContact OG-CG 3.22Å; S191-M194 PolarHBondContact OG-N 2.91Å; S191-T195 PolarHBondContact O-N 2.97Å; S191-T195 PolarHBondContact O-OG1 3.49Å; S191-R361 WeakPolarHBondContact CB-O 3.44Å; S191-D364 WeakPolarHBondContact CB-OD2 3.35Å; S191-D364 PolarHBondContact N-OD1 2.77Å; S191-D364 PolarHBondContact N-OD2 2.62Å; S191-D364 PolarHBondContact OG-OD2 2.99Å
192P91.5Very high85.4Confident113 Ų11359 Ų5973%0.73430%0.304SS*.Hα-helixtrans-53.7-40.5176.8-27.735.3000112.7T195 Q196P192-T195 PolarHBondContact O-N 3.42Å; P192-Q196 WeakPolarHBondContact O-CB 3.47Å; P192-Q196 PolarHBondContact O-N 3.44Å
193G92.6Very high87.5Confident35 Ų3559.9 Ų59.936%0.36131%0.305SS..Hα-helixtrans-63.8-43.117700000113.2S191 L197S191-G193 PolarHBondContact O-N 2.99Å; G193-L197 WeakPolarHBondContact O-CB 3.27Å; G193-L197 PolarHBondContact O-N 2.8Å
194M94.5Very high89.5Confident7 Ų751.3 Ų51.33%0.03427%0.268CS..Hα-helixtrans-68.7-36.1175.5-76.7-61.4-56.800112.7M187 S191 L197 K198 P356 R361 D364M187-M194 HydrophobicContact CB-CE 4.32Å; S191-M194 PolarHBondContact O-N 3.31Å; S191-M194 VanDerWaalsContact O-N 3.1Å; S191-M194 WeakPolarHBondContact OG-CB 3.44Å; S191-M194 WeakPolarHBondContact OG-CG 3.22Å; S191-M194 PolarHBondContact OG-N 2.91Å; M194-L197 HydrophobicContact CE-CD2 4.48Å; M194-L197 PolarHBondContact O-N 3.42Å; M194-L197 HydrophobicContact SD-CD2 4.14Å; M194-K198 VanDerWaalsContact O-CG 3.32Å; M194-K198 WeakPolarHBondContact O-CG 3.3Å; M194-K198 PolarHBondContact O-N 3.46Å; M194-P356 HydrophobicContact SD-CG 4.46Å; M194-R361 HydrophobicContact CG-CG 4.45Å; M194-R361 PolarHBondContact SD-NH1 3.39Å; M194-D364 WeakPolarHBondContact CG-OD2 3.49Å
195T91.4Very high90.9Very high54 Ų5443.4 Ų43.433%0.33123%0.231SC..Hα-helixtrans-66.6-42.9177.4-57.60000111S191 P192 K198 K199S191-T195 PolarHBondContact O-N 2.97Å; S191-T195 PolarHBondContact O-OG1 3.49Å; P192-T195 PolarHBondContact O-N 3.42Å; T195-K198 PolarHBondContact O-N 3.43Å; T195-K199 WeakPolarHBondContact O-CG 3.19Å; T195-K199 PolarHBondContact O-N 2.99Å
196Q93.5Very high91.7Very high95 Ų9544.7 Ų44.744%0.44425%0.245SC..Hα-helixtrans-63.4-46.2174.5-1785925.600111.3P192 K198 K199 E200P192-Q196 WeakPolarHBondContact O-CB 3.47Å; P192-Q196 PolarHBondContact O-N 3.44Å; Q196-K198 VanDerWaalsContact C-N 3.31Å; Q196-K198 PolarHBondContact O-N 3.37Å; Q196-K199 WeakPolarHBondContact O-CB 2.98Å; Q196-K199 PolarHBondContact O-N 3.38Å; Q196-K199 VanDerWaalsContact O-N 3.14Å; Q196-E200 WeakPolarHBondContact CG-OE1 3.48Å; Q196-E200 PolarHBondContact NE2-OE1 3.14Å; Q196-E200 WeakPolarHBondContact O-CG 3.48Å; Q196-E200 PolarHBondContact O-N 3.26Å
197L95.1Very high92.2Very high3 Ų343.4 Ų43.42%0.01624%0.242CC..Hα-helixtrans-57-42.9177.317761.9000112.2G193 M194 K199 E200 I201 V224 L353 V355G193-L197 WeakPolarHBondContact O-CB 3.27Å; G193-L197 PolarHBondContact O-N 2.8Å; M194-L197 HydrophobicContact CE-CD2 4.48Å; M194-L197 PolarHBondContact O-N 3.42Å; M194-L197 HydrophobicContact SD-CD2 4.14Å; L197-K199 PolarHBondContact O-N 3.19Å; L197-E200 PolarHBondContact O-N 2.87Å; L197-I201 HydrophobicContact CD1-CD1 4.11Å; L197-I201 HydrophobicContact CD1-CG1 4.31Å; L197-I201 HydrophobicContact CG-CD1 3.93Å; L197-I201 WeakPolarHBondContact O-CD1 3.44Å; L197-I201 VanDerWaalsContact O-CG1 3.23Å; L197-I201 WeakPolarHBondContact O-CG1 3.46Å; L197-I201 PolarHBondContact O-N 3.28Å; L197-V224 HydrophobicContact CD2-CG2 4.06Å; L197-L353 HydrophobicContact CD1-CB 4.43Å; L197-L353 HydrophobicContact CD1-CD1 4.49Å; L197-L353 HydrophobicContact CD1-CD2 4.16Å; L197-V355 HydrophobicContact CD2-CG1 4.29Å; L197-V355 HydrophobicContact CD2-CG2 4.3Å
198K92.7Very high92.3Very high54 Ų5446.4 Ų46.424%0.23526%0.259CS..Hα-helixtrans-58.7-45.7176.1-76.1167.9177.1-179.70112.1M187 G189 M194 T195 Q196 I201 E202M187-K198 HydrophobicContact CE-CG 4.03Å; M187-K198 WeakPolarHBondContact O-CE 3.5Å; M187-K198 PolarHBondContact O-NZ 3.18Å; G189-K198 PolarHBondContact O-NZ 3.49Å; M194-K198 VanDerWaalsContact O-CG 3.32Å; M194-K198 WeakPolarHBondContact O-CG 3.3Å; M194-K198 PolarHBondContact O-N 3.46Å; T195-K198 PolarHBondContact O-N 3.43Å; Q196-K198 VanDerWaalsContact C-N 3.31Å; Q196-K198 PolarHBondContact O-N 3.37Å; K198-I201 WeakPolarHBondContact O-CB 3.34Å; K198-I201 PolarHBondContact O-N 2.94Å; K198-E202 WeakPolarHBondContact O-CG 3.31Å; K198-E202 PolarHBondContact O-N 3.47Å; K198-E202 VanDerWaalsContact O-N 3.08Å
199K91.3Very high92.4Very high108 Ų10849.3 Ų49.347%0.4727%0.274SS..Hα-helixtrans-62.9-43.3177.3-67.9175.7178.2-175.60112.1T195 Q196 L197 I201 E202 I203T195-K199 WeakPolarHBondContact O-CG 3.19Å; T195-K199 PolarHBondContact O-N 2.99Å; Q196-K199 WeakPolarHBondContact O-CB 2.98Å; Q196-K199 PolarHBondContact O-N 3.38Å; Q196-K199 VanDerWaalsContact O-N 3.14Å; L197-K199 PolarHBondContact O-N 3.19Å; K199-I201 VanDerWaalsContact C-N 3.31Å; K199-I201 PolarHBondContact O-N 2.84Å; K199-E202 PolarHBondContact O-N 3.34Å; K199-I203 VanDerWaalsContact O-CG1 3.31Å; K199-I203 WeakPolarHBondContact O-CG1 3.34Å; K199-I203 PolarHBondContact O-N 3.45Å; K199-I203 VanDerWaalsContact O-N 3.08Å
200E94.4Very high92.6Very high52 Ų5250.3 Ų50.324%0.24328%0.278CS..Hα-helixtrans-65.3-36.2178.1-68172.3179.900112.1Q196 L197 I203 V204 F351 L353Q196-E200 WeakPolarHBondContact CG-OE1 3.48Å; Q196-E200 PolarHBondContact NE2-OE1 3.14Å; Q196-E200 WeakPolarHBondContact O-CG 3.48Å; Q196-E200 PolarHBondContact O-N 3.26Å; L197-E200 PolarHBondContact O-N 2.87Å; E200-I203 PolarHBondContact O-N 2.85Å; E200-V204 WeakPolarHBondContact O-CG1 3.48Å; E200-V204 PolarHBondContact O-N 2.94Å; E200-F351 HydrophobicContact CB-CE1 4.38Å; E200-L353 HydrophobicContact CB-CD2 3.53Å; E200-L353 HydrophobicContact CG-CD2 4.48Å; E200-L353 WeakPolarHBondContact OE2-CD2 3.45Å
201I94.1Very high93Very high5 Ų547 Ų473%0.02626%0.262CS..Hα-helixtrans-60.5-48172.9-72.4165.4000110.7M187 L197 K198 K199 I203 V204 A205 V224 A227 I228 L353M187-I201 HydrophobicContact CE-CD1 3.43Å; M187-I201 VanDerWaalsContact CE-CD1 3.43Å; M187-I201 HydrophobicContact SD-CD1 3.68Å; L197-I201 HydrophobicContact CD1-CD1 4.11Å; L197-I201 HydrophobicContact CD1-CG1 4.31Å; L197-I201 HydrophobicContact CG-CD1 3.93Å; L197-I201 WeakPolarHBondContact O-CD1 3.44Å; L197-I201 VanDerWaalsContact O-CG1 3.23Å; L197-I201 WeakPolarHBondContact O-CG1 3.46Å; L197-I201 PolarHBondContact O-N 3.28Å; K198-I201 WeakPolarHBondContact O-CB 3.34Å; K198-I201 PolarHBondContact O-N 2.94Å; K199-I201 VanDerWaalsContact C-N 3.31Å; K199-I201 PolarHBondContact O-N 2.84Å; I201-I203 VanDerWaalsContact C-N 3.33Å; I201-I203 PolarHBondContact O-N 3.29Å; I201-V204 PolarHBondContact O-N 3.48Å; I201-A205 WeakPolarHBondContact O-CB 3.14Å; I201-A205 PolarHBondContact O-N 2.81Å; I201-V224 HydrophobicContact CD1-CB 4.39Å; I201-V224 HydrophobicContact CD1-CG1 3.78Å; I201-V224 HydrophobicContact CD1-CG2 4.32Å; I201-V224 HydrophobicContact CG1-CG1 4.13Å; I201-A227 HydrophobicContact CG2-CB 4.19Å; I201-I228 HydrophobicContact CB-CG1 4.33Å; I201-I228 HydrophobicContact CG1-CG1 4.08Å; I201-I228 HydrophobicContact CG2-CG1 3.79Å; I201-L353 HydrophobicContact CG1-CD1 4.01Å
202E89.9Confident93.2Very high96 Ų9646.7 Ų46.745%0.44926%0.259SS..Hα-helixtrans-59.1-44.2178-71.7166.7-169.300111.8M171 K198 K199M171-E202 HydrophobicContact CE-CB 4.03Å; M171-E202 VanDerWaalsContact CE-OE2 3.31Å; M171-E202 WeakPolarHBondContact CE-OE2 3.43Å; K198-E202 WeakPolarHBondContact O-CG 3.31Å; K198-E202 PolarHBondContact O-N 3.47Å; K198-E202 VanDerWaalsContact O-N 3.08Å; K199-E202 PolarHBondContact O-N 3.34Å
203I91.8Very high93.5Very high76 Ų7641.3 Ų41.339%0.3922%0.224SC..Hα-helixtrans-62-49.3178.4-67164.1000111M171 K199 E200 I201M171-I203 HydrophobicContact CE-CG1 4.19Å; M171-I203 HydrophobicContact SD-CD1 4.42Å; M171-I203 HydrophobicContact SD-CG1 3.95Å; K199-I203 VanDerWaalsContact O-CG1 3.31Å; K199-I203 WeakPolarHBondContact O-CG1 3.34Å; K199-I203 PolarHBondContact O-N 3.45Å; K199-I203 VanDerWaalsContact O-N 3.08Å; E200-I203 PolarHBondContact O-N 2.85Å; I201-I203 VanDerWaalsContact C-N 3.33Å; I201-I203 PolarHBondContact O-N 3.29Å
204V94.5Very high93.7Very high1 Ų141.5 Ų41.51%0.00622%0.22CC..Hα-helixtrans-76.2-28-17577.30000112.5E200 I201 A206 S207 V211 I228 R322 F351 L353E200-V204 WeakPolarHBondContact O-CG1 3.48Å; E200-V204 PolarHBondContact O-N 2.94Å; I201-V204 PolarHBondContact O-N 3.48Å; V204-A206 VanDerWaalsContact C-N 3.27Å; V204-A206 PolarHBondContact O-N 2.85Å; V204-S207 PolarHBondContact O-N 3.02Å; V204-S207 VanDerWaalsContact O-N 3.07Å; V204-S207 PolarHBondContact O-OG 2.99Å; V204-V211 HydrophobicContact CG1-CG2 4.16Å; V204-V211 HydrophobicContact CG2-CG2 3.51Å; V204-I228 HydrophobicContact CG1-CD1 4.28Å; V204-I228 HydrophobicContact CG1-CG1 4.15Å; V204-I228 HydrophobicContact CG1-CG2 4.29Å; V204-R322 PolarHBondContact O-NH2 2.93Å; V204-F351 HydrophobicContact CB-CD1 3.77Å; V204-F351 HydrophobicContact CB-CD2 4.29Å; V204-F351 HydrophobicContact CB-CE1 3.73Å; V204-F351 HydrophobicContact CB-CE2 4.25Å; V204-F351 HydrophobicContact CB-CG 4.05Å; V204-F351 HydrophobicContact CB-CZ 3.98Å; V204-F351 HydrophobicContact CG1-CD1 4.26Å; V204-F351 HydrophobicContact CG1-CE1 4.21Å; V204-F351 HydrophobicContact CG2-CB 3.79Å; V204-F351 HydrophobicContact CG2-CD1 3.57Å; V204-F351 HydrophobicContact CG2-CD2 3.87Å; V204-F351 HydrophobicContact CG2-CE1 4.06Å; V204-F351 HydrophobicContact CG2-CE2 4.34Å; V204-F351 HydrophobicContact CG2-CG 3.45Å; V204-F351 VanDerWaalsContact CG2-CG 3.45Å; V204-F351 HydrophobicContact CG2-CZ 4.42Å; V204-L353 HydrophobicContact CG1-CD1 4.36Å
205A93.3Very high93.8Very high0 Ų042 Ų420%023%0.226CC..Hα-helixtrans-59.8-38.1-178.900000112.4I201 S207 I228 A231 S232 R322I201-A205 WeakPolarHBondContact O-CB 3.14Å; I201-A205 PolarHBondContact O-N 2.81Å; A205-S207 PolarHBondContact O-N 2.8Å; A205-I228 HydrophobicContact CB-CG2 4.45Å; A205-I228 WeakPolarHBondContact CB-O 3.35Å; A205-A231 HydrophobicContact CB-CB 3.5Å; A205-A231 VanDerWaalsContact CB-CB 3.5Å; A205-S232 VanDerWaalsContact O-CA 3.28Å; A205-S232 WeakPolarHBondContact O-CA 3.32Å; A205-S232 WeakPolarHBondContact O-CB 3.34Å; A205-R322 PolarHBondContact O-NH1 2.88Å; A205-R322 VanDerWaalsContact O-NH1 3.1Å
206A90.7Very high94Very high50 Ų5042.3 Ų42.341%0.41322%0.224SC..THydrogen-bonded Turntrans-70.1-7.5177.700000114.6L172 V204L172-A206 HydrophobicContact CD1-CB 3.54Å; V204-A206 VanDerWaalsContact C-N 3.27Å; V204-A206 PolarHBondContact O-N 2.85Å
207S92.5Very high94Very high32 Ų3241 Ų4122%0.22422%0.222CC..SBendtrans-108.5159.4176.678.10000112.1V204 A205 L209 R322V204-S207 PolarHBondContact O-N 3.02Å; V204-S207 VanDerWaalsContact O-N 3.07Å; V204-S207 PolarHBondContact O-OG 2.99Å; A205-S207 PolarHBondContact O-N 2.8Å; S207-L209 PolarHBondContact O-N 3.47Å; S207-L209 WeakPolarHBondContact OG-CB 3.44Å; S207-L209 WeakPolarHBondContact OG-CG 3.47Å; S207-L209 PolarHBondContact OG-N 3.22Å; S207-R322 PolarHBondContact O-NH1 2.97Å; S207-R322 PolarHBondContact O-NH2 3.4Å
208D90.9Very high93.9Very high95 Ų9541.4 Ų41.451%0.50823%0.227SC..  trans-87.815.2169.8-83.1-35.1000113R234D208-R234 IonicContact OD1-CZ 3.53Å; D208-R234 IonicContact OD1-NE 3.67Å; D208-R234 PolarHBondContact OD1-NE 3.34Å; D208-R234 IonicContact OD1-NH2 3.31Å; D208-R234 IonicContact OD2-NH2 2.73Å
209L93.6Very high94.1Very high77 Ų7739 Ų3940%0.40322%0.217SC..  trans-65.2145.7-179-61.1176.9000111.5S207 R322 V350S207-L209 PolarHBondContact O-N 3.47Å; S207-L209 WeakPolarHBondContact OG-CB 3.44Å; S207-L209 WeakPolarHBondContact OG-CG 3.47Å; S207-L209 PolarHBondContact OG-N 3.22Å; L209-R322 PolarHBondContact O-NE 3.22Å; L209-R322 PolarHBondContact O-NH2 3.27Å; L209-V350 HydrophobicContact CB-CG1 4.38Å; L209-V350 HydrophobicContact CD1-CG1 4.37Å; L209-V350 HydrophobicContact CD2-CG1 3.95Å; L209-V350 HydrophobicContact CG-CG1 4.46Å
210N94.7Very high94.2Very high23 Ų2335 Ų3512%0.12321%0.206CC..  trans-66.5137.5167.4-66.1-27.2000109.6V323 R347 F351N210-V323 WeakPolarHBondContact CA-O 3.38Å; N210-R347 PolarHBondContact ND2-O 2.97Å; N210-F351 PolarHBondContact O-N 3.12Å
211V97.4Very high94.3Very high0 Ų033.1 Ų33.10%020%0.197CC..EExtended strand (participates in β ladder)trans-119.1131.5-179.6-170.90000109.6V204 I213 I228 V323 L324 A325 F351 L353V204-V211 HydrophobicContact CG1-CG2 4.16Å; V204-V211 HydrophobicContact CG2-CG2 3.51Å; V211-I213 HydrophobicContact CG1-CG1 4.07Å; V211-I228 HydrophobicContact CB-CD1 4.45Å; V211-I228 HydrophobicContact CG1-CD1 3.98Å; V211-I228 HydrophobicContact CG2-CD1 4.47Å; V211-V323 PolarHBondContact N-O 3.28Å; V211-L324 HydrophobicContact CB-CD2 3.63Å; V211-L324 HydrophobicContact CG2-CD2 3.56Å; V211-A325 PolarHBondContact O-N 2.89Å; V211-F351 WeakPolarHBondContact CA-O 3.28Å; V211-F351 HydrophobicContact CG1-CD1 4.49Å; V211-F351 WeakPolarHBondContact CG1-O 3.48Å; V211-L353 HydrophobicContact CG1-CB 4.36Å; V211-L353 HydrophobicContact CG1-CD1 3.69Å; V211-L353 HydrophobicContact CG1-CG 3.86Å
212L97.6Very high94.3Very high4 Ų437.9 Ų37.92%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-105.6113.4171.2177.664.8000109.1I288 A325 T327 L331 F345 F351 P352 L353L212-I288 HydrophobicContact CD1-CG2 4.49Å; L212-A325 CarbonylContact C-O 3.54Å; L212-A325 WeakPolarHBondContact CA-O 3.18Å; L212-A325 HydrophobicContact CD1-CB 4.13Å; L212-T327 HydrophobicContact CD1-CG2 4.13Å; L212-L331 HydrophobicContact CD1-CD1 3.85Å; L212-L331 HydrophobicContact CD2-CD1 3.9Å; L212-F345 HydrophobicContact CD2-CE2 4.14Å; L212-F351 PolarHBondContact N-O 3.19Å; L212-P352 CarbonylContact O-C 3.54Å; L212-P352 WeakPolarHBondContact O-CA 3.44Å; L212-L353 PolarHBondContact O-N 3.11Å
213I97.9Very high94.5Very high0 Ų037.6 Ų37.60%022%0.221CC..EExtended strand (participates in β ladder)trans-98.7103.2-179.2-53.5166000108.7V211 K221 V224 A225 I228 F284 A325 A326 T327 L353 V355V211-I213 HydrophobicContact CG1-CG1 4.07Å; I213-K221 HydrophobicContact CG2-CB 3.92Å; I213-K221 HydrophobicContact CG2-CD 4.29Å; I213-K221 HydrophobicContact CG2-CG 3.97Å; I213-V224 HydrophobicContact CD1-CB 4.42Å; I213-V224 HydrophobicContact CD1-CG1 3.95Å; I213-V224 HydrophobicContact CG1-CG1 4.24Å; I213-V224 HydrophobicContact CG2-CB 4.38Å; I213-V224 HydrophobicContact CG2-CG1 4.09Å; I213-A225 HydrophobicContact CD1-CB 3.71Å; I213-I228 HydrophobicContact CD1-CD1 4.17Å; I213-F284 HydrophobicContact CD1-CE2 4.29Å; I213-A325 PolarHBondContact N-O 3.45Å; I213-A326 HydrophobicContact CB-CB 4.28Å; I213-A326 VanDerWaalsContact O-CA 3.25Å; I213-A326 WeakPolarHBondContact O-CA 3.39Å; I213-T327 PolarHBondContact O-N 3.32Å; I213-T327 VanDerWaalsContact O-N 3.1Å; I213-L353 CarbonylContact C-O 3.58Å; I213-L353 WeakPolarHBondContact CA-O 3.45Å; I213-V355 HydrophobicContact CG2-CG2 3.61Å
214S96.8Very high94.7Very high40 Ų4034.2 Ų34.228%0.2820%0.204SC..EExtended strand (participates in β ladder)trans-94.2143.3177.2-63.40000110.8L353 V355S214-L353 PolarHBondContact N-O 3.39Å; S214-V355 PolarHBondContact O-N 3.02Å
215G95.8Very high94.8Very high16 Ų1634.2 Ų34.217%0.16520%0.203CC..  trans162.8160.7171.700000112.5K221 T327 N328G215-K221 PolarHBondContact O-NZ 3.4Å; G215-T327 PolarHBondContact N-O 3.29Å; G215-N328 WeakPolarHBondContact O-CA 3.4Å
216E95.7Very high94.9Very high62 Ų6237.8 Ų37.829%0.2922%0.219SC..  trans-58.6164.5-178.4-67.8178.7-168.800113.1G218 T219 K221 R359 N403E216-G218 PolarHBondContact O-N 2.95Å; E216-T219 HydrophobicContact CB-CG2 3.83Å; E216-T219 WeakPolarHBondContact O-CG2 3.32Å; E216-T219 PolarHBondContact O-OG1 2.99Å; E216-K221 PolarHBondContact O-NZ 2.68Å; E216-K221 VanDerWaalsContact O-NZ 3.07Å; E216-R359 VanDerWaalsContact CD-NH1 3.26Å; E216-R359 IonicContact OE1-CZ 3.52Å; E216-R359 IonicContact OE1-NH1 2.79Å; E216-R359 PolarHBondContact OE1-NH1 2.91Å; E216-R359 IonicContact OE1-NH2 3.36Å; E216-R359 PolarHBondContact OE1-NH2 3.15Å; E216-R359 IonicContact OE2-CZ 3.48Å; E216-R359 IonicContact OE2-NH1 3.52Å; E216-R359 PolarHBondContact OE2-NH1 2.95Å; E216-N403 WeakPolarHBondContact CB-ND2 3.07Å; E216-N403 PolarHBondContact OE2-ND2 3.41Å
217T93.6Very high95Very high66 Ų6635.8 Ų35.841%0.40520%0.203SC..THydrogen-bonded Turntrans-61.8138.7172.8-170.70000110.8T219 N403T217-T219 VanDerWaalsContact C-N 3.34Å; T217-T219 PolarHBondContact O-N 2.83Å; T217-N403 PolarHBondContact O-ND2 2.86Å
218G93.6Very high95.2Very high12 Ų1234.3 Ų34.312%0.12419%0.192CC..THydrogen-bonded Turntrans75.89.4177.600000116.3E216 N403 V404 R405E216-G218 PolarHBondContact O-N 2.95Å; G218-N403 WeakPolarHBondContact O-CB 3.4Å; G218-V404 WeakPolarHBondContact O-CB 3.46Å; G218-V404 PolarHBondContact O-N 3.49Å; G218-R405 PolarHBondContact O-N 3.44Å
219T95.8Very high95.4Very high4 Ų430.2 Ų30.23%0.02517%0.17CC..SBendtrans-78.8-14178.154.20000114.9E216 T217 R361 N403E216-T219 HydrophobicContact CB-CG2 3.83Å; E216-T219 WeakPolarHBondContact O-CG2 3.32Å; E216-T219 PolarHBondContact O-OG1 2.99Å; T217-T219 VanDerWaalsContact C-N 3.34Å; T217-T219 PolarHBondContact O-N 2.83Å; T219-R361 PolarHBondContact O-NH2 3.27Å; T219-N403 HydrophobicContact CG2-CB 3.87Å; T219-N403 VanDerWaalsContact CG2-CG 3.45Å
220G94.2Very high95.3Very high23 Ų2328.1 Ų28.124%0.23716%0.158CC..  trans100.627.6-179.600000115.5E222 L223 V224G220-E222 PolarHBondContact O-N 3.29Å; G220-L223 WeakPolarHBondContact O-CB 3.42Å; G220-L223 PolarHBondContact O-N 3.46Å; G220-V224 PolarHBondContact O-N 3.38Å
221K95.7Very high95.1Very high13 Ų1329.8 Ų29.86%0.05718%0.175CC..Hα-helixtrans-52.6-36.7177.5-60.1-170-68.7-86.80113.7I213 G215 E216 L223 V224 A225 A326 V355I213-K221 HydrophobicContact CG2-CB 3.92Å; I213-K221 HydrophobicContact CG2-CD 4.29Å; I213-K221 HydrophobicContact CG2-CG 3.97Å; G215-K221 PolarHBondContact O-NZ 3.4Å; E216-K221 PolarHBondContact O-NZ 2.68Å; E216-K221 VanDerWaalsContact O-NZ 3.07Å; K221-L223 PolarHBondContact O-N 2.98Å; K221-V224 WeakPolarHBondContact O-CB 3.5Å; K221-V224 PolarHBondContact O-N 3.22Å; K221-A225 PolarHBondContact O-N 2.93Å; K221-A326 HydrophobicContact CB-CB 4.14Å; K221-A326 HydrophobicContact CD-CB 4.02Å; K221-V355 HydrophobicContact CG-CG2 4.31Å
222E94.5Very high94.9Very high105 Ų10530.1 Ų30.149%0.49118%0.178SC..Hα-helixtrans-62.8-40.2176.3-166.1-172.4159.500112.5G220 V224 A225 K226 Y241 F284G220-E222 PolarHBondContact O-N 3.29Å; E222-V224 VanDerWaalsContact C-N 3.31Å; E222-V224 PolarHBondContact O-N 2.94Å; E222-A225 PolarHBondContact O-N 2.8Å; E222-K226 WeakPolarHBondContact O-CB 3.41Å; E222-K226 PolarHBondContact O-N 3.34Å; E222-Y241 HydrophobicContact CG-CD1 4.21Å; E222-Y241 HydrophobicContact CG-CE1 3.57Å; E222-F284 HydrophobicContact CB-CE1 4.42Å; E222-F284 HydrophobicContact CG-CE1 4.23Å
223L94.2Very high94.6Very high91 Ų9133.5 Ų33.548%0.47620%0.199SC..Hα-helixtrans-66.7-36.2176.1-68172.2000111.3T185 G220 K221 K226 A227T185-L223 HydrophobicContact CG2-CB 4.17Å; T185-L223 HydrophobicContact CG2-CD2 3.65Å; G220-L223 WeakPolarHBondContact O-CB 3.42Å; G220-L223 PolarHBondContact O-N 3.46Å; K221-L223 PolarHBondContact O-N 2.98Å; L223-K226 PolarHBondContact O-N 3.18Å; L223-A227 WeakPolarHBondContact O-CB 3.41Å; L223-A227 PolarHBondContact O-N 3.19Å
224V96.3Very high94.3Very high5 Ų534.4 Ų34.43%0.0320%0.203CC..Hα-helixtrans-64-47.6174.9171.40000110.5M187 L197 I201 I213 G220 K221 E222 K226 A227 I228 L353 V355M187-V224 HydrophobicContact SD-CG2 4.23Å; L197-V224 HydrophobicContact CD2-CG2 4.06Å; I201-V224 HydrophobicContact CD1-CB 4.39Å; I201-V224 HydrophobicContact CD1-CG1 3.78Å; I201-V224 HydrophobicContact CD1-CG2 4.32Å; I201-V224 HydrophobicContact CG1-CG1 4.13Å; I213-V224 HydrophobicContact CD1-CB 4.42Å; I213-V224 HydrophobicContact CD1-CG1 3.95Å; I213-V224 HydrophobicContact CG1-CG1 4.24Å; I213-V224 HydrophobicContact CG2-CB 4.38Å; I213-V224 HydrophobicContact CG2-CG1 4.09Å; G220-V224 PolarHBondContact O-N 3.38Å; K221-V224 WeakPolarHBondContact O-CB 3.5Å; K221-V224 PolarHBondContact O-N 3.22Å; E222-V224 VanDerWaalsContact C-N 3.31Å; E222-V224 PolarHBondContact O-N 2.94Å; V224-K226 VanDerWaalsContact C-N 3.31Å; V224-K226 PolarHBondContact O-N 2.85Å; V224-A227 PolarHBondContact O-N 3.05Å; V224-I228 HydrophobicContact CG1-CD1 4.08Å; V224-I228 WeakPolarHBondContact O-CG1 3.39Å; V224-I228 PolarHBondContact O-N 3Å; V224-L353 HydrophobicContact CG1-CD1 4.11Å; V224-V355 HydrophobicContact CG2-CG2 3.88Å
225A95.8Very high94.1Very high0 Ų033.1 Ų33.10%020%0.195CC..Hα-helixtrans-60.4-42.5176.800000112.3I213 K221 E222 I228 H229 F284 L324I213-A225 HydrophobicContact CD1-CB 3.71Å; K221-A225 PolarHBondContact O-N 2.93Å; E222-A225 PolarHBondContact O-N 2.8Å; A225-I228 PolarHBondContact O-N 3.3Å; A225-H229 PolarHBondContact O-N 3.41Å; A225-H229 VanDerWaalsContact O-N 3.08Å; A225-F284 HydrophobicContact CB-CD2 3.29Å; A225-F284 HydrophobicContact CB-CE2 3.38Å; A225-F284 HydrophobicContact CB-CG 3.94Å; A225-F284 HydrophobicContact CB-CZ 4.08Å; A225-L324 HydrophobicContact CB-CD1 4.06Å; A225-L324 WeakPolarHBondContact O-CD1 3.36Å
226K95.3Very high93.8Very high75 Ų7536.2 Ų36.233%0.32621%0.21SC..Hα-helixtrans-62.9-44.4176.7-168.5178.1167.9-166.40111.9T185 E222 L223 V224 I228 H229 E230 L239T185-K226 HydrophobicContact CG2-CD 4.42Å; T185-K226 WeakPolarHBondContact OG1-CD 3.44Å; T185-K226 WeakPolarHBondContact OG1-CE 3.15Å; T185-K226 VanDerWaalsContact OG1-CG 3.31Å; T185-K226 WeakPolarHBondContact OG1-CG 3.22Å; E222-K226 WeakPolarHBondContact O-CB 3.41Å; E222-K226 PolarHBondContact O-N 3.34Å; L223-K226 PolarHBondContact O-N 3.18Å; V224-K226 VanDerWaalsContact C-N 3.31Å; V224-K226 PolarHBondContact O-N 2.85Å; K226-I228 PolarHBondContact O-N 2.93Å; K226-H229 PolarHBondContact O-N 3.45Å; K226-E230 WeakPolarHBondContact CE-OE1 3.26Å; K226-E230 HydrophobicContact CG-CG 4.48Å; K226-E230 IonicContact NZ-OE1 3.36Å; K226-E230 WeakPolarHBondContact O-CG 3.3Å; K226-E230 PolarHBondContact O-N 3.49Å; K226-L239 HydrophobicContact CB-CD2 4.32Å; K226-L239 HydrophobicContact CG-CD2 4.18Å
227A94.1Very high93.7Very high9 Ų936.1 Ų36.17%0.07421%0.212CC..Hα-helixtrans-62-40.8176.800000112.3M187 I201 L223 V224 H229 A231M187-A227 HydrophobicContact CE-CB 3.65Å; M187-A227 HydrophobicContact SD-CB 4.2Å; I201-A227 HydrophobicContact CG2-CB 4.19Å; L223-A227 WeakPolarHBondContact O-CB 3.41Å; L223-A227 PolarHBondContact O-N 3.19Å; V224-A227 PolarHBondContact O-N 3.05Å; A227-H229 VanDerWaalsContact C-N 3.35Å; A227-H229 PolarHBondContact O-N 3.42Å; A227-A231 WeakPolarHBondContact O-CB 3.42Å; A227-A231 PolarHBondContact O-N 3.11Å; A227-A231 VanDerWaalsContact O-N 3.1Å
228I95.3Very high93.7Very high0 Ų036 Ų360%021%0.212CC..Hα-helixtrans-60.1-46.2174.6-67.4163.7000110.9I201 V204 A205 V211 I213 V224 A225 K226 A231 S232 L324 L353I201-I228 HydrophobicContact CB-CG1 4.33Å; I201-I228 HydrophobicContact CG1-CG1 4.08Å; I201-I228 HydrophobicContact CG2-CG1 3.79Å; V204-I228 HydrophobicContact CG1-CD1 4.28Å; V204-I228 HydrophobicContact CG1-CG1 4.15Å; V204-I228 HydrophobicContact CG1-CG2 4.29Å; A205-I228 HydrophobicContact CB-CG2 4.45Å; A205-I228 WeakPolarHBondContact CB-O 3.35Å; V211-I228 HydrophobicContact CB-CD1 4.45Å; V211-I228 HydrophobicContact CG1-CD1 3.98Å; V211-I228 HydrophobicContact CG2-CD1 4.47Å; I213-I228 HydrophobicContact CD1-CD1 4.17Å; V224-I228 HydrophobicContact CG1-CD1 4.08Å; V224-I228 WeakPolarHBondContact O-CG1 3.39Å; V224-I228 PolarHBondContact O-N 3Å; A225-I228 PolarHBondContact O-N 3.3Å; K226-I228 PolarHBondContact O-N 2.93Å; I228-A231 PolarHBondContact O-N 3.28Å; I228-S232 WeakPolarHBondContact O-CB 3.43Å; I228-S232 PolarHBondContact O-N 3.46Å; I228-L324 HydrophobicContact CB-CD1 4.18Å; I228-L324 HydrophobicContact CG2-CD1 4.11Å; I228-L324 HydrophobicContact CG2-CD2 4Å; I228-L353 HydrophobicContact CD1-CD1 3.62Å; I228-L353 HydrophobicContact CG1-CD1 4.46Å
229H95.1Very high93.7Very high9 Ų937 Ų374%0.04221%0.214CC..Hα-helixtrans-65.4-46.6-178.7174.177.9000112.2A225 K226 A227 A231 S232 R234 N237 L239 T282A225-H229 PolarHBondContact O-N 3.41Å; A225-H229 VanDerWaalsContact O-N 3.08Å; K226-H229 PolarHBondContact O-N 3.45Å; A227-H229 VanDerWaalsContact C-N 3.35Å; A227-H229 PolarHBondContact O-N 3.42Å; H229-A231 PolarHBondContact O-N 2.99Å; H229-S232 WeakPolarHBondContact O-CB 3.45Å; H229-S232 PolarHBondContact O-N 2.93Å; H229-S232 PolarHBondContact O-OG 3.4Å; H229-R234 PolarHBondContact CE1-O 3.33Å; H229-N237 PolarHBondContact CE1-O 3.45Å; H229-N237 VanDerWaalsContact CE1-O 3.25Å; H229-N237 PolarHBondContact NE2-O 2.78Å; H229-N237 VanDerWaalsContact NE2-O 3.15Å; H229-L239 HydrophobicContact CB-CD1 4.12Å; H229-L239 HydrophobicContact CB-CD2 3.95Å; H229-L239 HydrophobicContact CB-CG 4.49Å; H229-T282 WeakPolarHBondContact ND1-CB 3.38Å; H229-T282 PolarHBondContact ND1-OG1 3.37Å
230E92.5Very high93.7Very high34 Ų3437.4 Ų37.416%0.15922%0.217CC..Hα-helixtrans-64.7-28179.8-73174.7163.700113.2V182 T185 K226 S232 A235V182-E230 HydrophobicContact CG1-CG 4.23Å; T185-E230 WeakPolarHBondContact CA-OE2 3.27Å; T185-E230 WeakPolarHBondContact CB-OE2 3.44Å; T185-E230 PolarHBondContact N-OE2 2.72Å; T185-E230 VanDerWaalsContact OG1-CD 3.24Å; T185-E230 PolarHBondContact OG1-OE1 3.02Å; T185-E230 PolarHBondContact OG1-OE2 3.29Å; K226-E230 WeakPolarHBondContact CE-OE1 3.26Å; K226-E230 HydrophobicContact CG-CG 4.48Å; K226-E230 IonicContact NZ-OE1 3.36Å; K226-E230 WeakPolarHBondContact O-CG 3.3Å; K226-E230 PolarHBondContact O-N 3.49Å; E230-S232 VanDerWaalsContact C-N 3.34Å; E230-A235 VanDerWaalsContact O-CB 3.32Å; E230-A235 WeakPolarHBondContact O-CB 3.26Å
231A90.8Very high93.7Very high58 Ų5840 Ų4048%0.47922%0.22SC..THydrogen-bonded Turntrans-88.10.4174.600000113.4A205 A227 I228 H229A205-A231 HydrophobicContact CB-CB 3.5Å; A205-A231 VanDerWaalsContact CB-CB 3.5Å; A227-A231 WeakPolarHBondContact O-CB 3.42Å; A227-A231 PolarHBondContact O-N 3.11Å; A227-A231 VanDerWaalsContact O-N 3.1Å; I228-A231 PolarHBondContact O-N 3.28Å; H229-A231 PolarHBondContact O-N 2.99Å
232S92.3Very high93.5Very high7 Ų740.1 Ų40.15%0.04922%0.221CC..SBendtrans-94.2162-177.178.80000113A205 I228 H229 E230 R234 A235 R322A205-S232 VanDerWaalsContact O-CA 3.28Å; A205-S232 WeakPolarHBondContact O-CA 3.32Å; A205-S232 WeakPolarHBondContact O-CB 3.34Å; I228-S232 WeakPolarHBondContact O-CB 3.43Å; I228-S232 PolarHBondContact O-N 3.46Å; H229-S232 WeakPolarHBondContact O-CB 3.45Å; H229-S232 PolarHBondContact O-N 2.93Å; H229-S232 PolarHBondContact O-OG 3.4Å; E230-S232 VanDerWaalsContact C-N 3.34Å; S232-R234 PolarHBondContact O-N 3.01Å; S232-R234 PolarHBondContact OG-N 2.94Å; S232-A235 VanDerWaalsContact O-CB 3.31Å; S232-A235 WeakPolarHBondContact O-CB 3.4Å; S232-A235 PolarHBondContact O-N 3.47Å; S232-R322 VanDerWaalsContact CB-NH1 3.31Å
233P91.3Very high93.3Very high74 Ų7439 Ų3948%0.48122%0.219SC..THydrogen-bonded Turntrans-57.8-17.7170.4-24.234.6000113.9
234R92.5Very high93Very high19 Ų1935.1 Ų35.17%0.07220%0.199CC..THydrogen-bonded Turntrans-92.210.3179-58.2-177.3-179.5-122-7.6113.2D208 H229 S232 V236 N237 N280 G281 D320D208-R234 IonicContact OD1-CZ 3.53Å; D208-R234 IonicContact OD1-NE 3.67Å; D208-R234 PolarHBondContact OD1-NE 3.34Å; D208-R234 IonicContact OD1-NH2 3.31Å; D208-R234 IonicContact OD2-NH2 2.73Å; H229-R234 PolarHBondContact CE1-O 3.33Å; S232-R234 PolarHBondContact O-N 3.01Å; S232-R234 PolarHBondContact OG-N 2.94Å; R234-V236 PolarHBondContact O-N 3.22Å; R234-V236 VanDerWaalsContact O-N 3.12Å; R234-N237 HydrophobicContact CB-CB 4.42Å; R234-N237 WeakPolarHBondContact O-CA 3.44Å; R234-N237 WeakPolarHBondContact O-CB 3.46Å; R234-N237 PolarHBondContact O-N 3.41Å; R234-N280 VanDerWaalsContact NH1-C 3.29Å; R234-N280 PolarHBondContact NH1-O 3.07Å; R234-G281 WeakPolarHBondContact CD-O 3.48Å; R234-G281 PolarHBondContact NH1-O 3.47Å; R234-D320 IonicContact CZ-OD1 3.3Å; R234-D320 IonicContact CZ-OD2 2.93Å; R234-D320 PolarHBondContact NH1-O 3.03Å; R234-D320 IonicContact NH1-OD1 3.33Å; R234-D320 IonicContact NH1-OD2 3.88Å; R234-D320 VanDerWaalsContact NH2-CG 3.25Å; R234-D320 IonicContact NH2-OD1 3.9Å; R234-D320 PolarHBondContact NH2-OD1 2.91Å; R234-D320 IonicContact NH2-OD2 2.68Å; R234-D320 PolarHBondContact NH2-OD2 3.47Å
235A91.2Very high92.4Very high13 Ų1336.7 Ų36.711%0.10721%0.213CC..THydrogen-bonded Turntrans-58.7-25.8-174.800000115.1E230 S232E230-A235 VanDerWaalsContact O-CB 3.32Å; E230-A235 WeakPolarHBondContact O-CB 3.26Å; S232-A235 VanDerWaalsContact O-CB 3.31Å; S232-A235 WeakPolarHBondContact O-CB 3.4Å; S232-A235 PolarHBondContact O-N 3.47Å
236V90Very high91.3Very high81 Ų8141.6 Ų41.649%0.49125%0.253SS..THydrogen-bonded Turntrans-83.4-15.2175-65.80000113.5F179 R234F179-V236 HydrophobicContact CD1-CB 4.41Å; F179-V236 HydrophobicContact CD1-CG1 3.38Å; F179-V236 HydrophobicContact CD1-CG2 4.13Å; F179-V236 HydrophobicContact CE1-CB 4.4Å; F179-V236 HydrophobicContact CE1-CG1 3.8Å; F179-V236 HydrophobicContact CE1-CG2 3.67Å; F179-V236 HydrophobicContact CG-CG1 4.26Å; F179-V236 HydrophobicContact CZ-CG2 4.33Å; R234-V236 PolarHBondContact O-N 3.22Å; R234-V236 VanDerWaalsContact O-N 3.12Å
237N93.4Very high90.4Very high61 Ų6141.2 Ų41.233%0.32625%0.254SS..SBendtrans-89.3164-179.3-66.1-23.9000110.1H229 R234 L239 N280H229-N237 PolarHBondContact CE1-O 3.45Å; H229-N237 VanDerWaalsContact CE1-O 3.25Å; H229-N237 PolarHBondContact NE2-O 2.78Å; H229-N237 VanDerWaalsContact NE2-O 3.15Å; R234-N237 HydrophobicContact CB-CB 4.42Å; R234-N237 WeakPolarHBondContact O-CA 3.44Å; R234-N237 WeakPolarHBondContact O-CB 3.46Å; R234-N237 PolarHBondContact O-N 3.41Å; N237-L239 PolarHBondContact O-N 2.98Å; N237-N280 WeakPolarHBondContact CB-O 3.47Å; N237-N280 PolarHBondContact ND2-O 2.73Å
238P93.1Very high90Very high62 Ų6244.5 Ų44.540%0.40328%0.275SS..  trans-66.2135.1-174.324.2-34.4000113V240 M277 G281 T282P238-V240 HydrophobicContact CB-CG2 4.23Å; P238-M277 WeakPolarHBondContact CG-O 3.38Å; P238-G281 WeakPolarHBondContact O-CA 3.4Å; P238-T282 PolarHBondContact O-N 2.87Å
239L94.9Very high89.5Confident34 Ų3449 Ų4918%0.17830%0.296CS..EExtended strand (participates in β ladder)trans-95.6108.1159.8-179.459000109.4K226 H229 N237 Y241 T282 F284K226-L239 HydrophobicContact CB-CD2 4.32Å; K226-L239 HydrophobicContact CG-CD2 4.18Å; H229-L239 HydrophobicContact CB-CD1 4.12Å; H229-L239 HydrophobicContact CB-CD2 3.95Å; H229-L239 HydrophobicContact CB-CG 4.49Å; N237-L239 PolarHBondContact O-N 2.98Å; L239-Y241 HydrophobicContact CB-CE2 4.35Å; L239-Y241 HydrophobicContact CD2-CE2 3.7Å; L239-Y241 WeakPolarHBondContact CD2-OH 3.46Å; L239-Y241 HydrophobicContact CG-CD2 4.28Å; L239-Y241 HydrophobicContact CG-CE2 3.58Å; L239-T282 WeakPolarHBondContact CA-O 3.36Å; L239-T282 HydrophobicContact CD1-CG2 3.72Å; L239-F284 HydrophobicContact CD1-CB 4.29Å
240V95.2Very high89Confident13 Ų1352 Ų528%0.07932%0.318CS..EExtended strand (participates in β ladder)trans-99130.1-178.5-178.60000109.8P238 K274 M277 A278 T282 L283 F284P238-V240 HydrophobicContact CB-CG2 4.23Å; V240-K274 HydrophobicContact CG1-CB 4.05Å; V240-K274 HydrophobicContact CG1-CD 3.53Å; V240-K274 HydrophobicContact CG1-CG 4.32Å; V240-M277 HydrophobicContact CG2-CB 4.1Å; V240-A278 HydrophobicContact CB-CB 3.92Å; V240-A278 HydrophobicContact CG2-CB 3.68Å; V240-T282 PolarHBondContact N-O 3.17Å; V240-L283 HydrophobicContact CB-CD1 4Å; V240-L283 HydrophobicContact CG1-CD1 3.9Å; V240-F284 PolarHBondContact O-N 2.76Å
241Y94Very high88.8Confident78 Ų7853.1 Ų53.131%0.30633%0.327SS..EExtended strand (participates in β ladder)trans-102.3137.2-180-68.5-100.1000111.3E222 L239 F284E222-Y241 HydrophobicContact CG-CD1 4.21Å; E222-Y241 HydrophobicContact CG-CE1 3.57Å; L239-Y241 HydrophobicContact CB-CE2 4.35Å; L239-Y241 HydrophobicContact CD2-CE2 3.7Å; L239-Y241 WeakPolarHBondContact CD2-OH 3.46Å; L239-Y241 HydrophobicContact CG-CD2 4.28Å; L239-Y241 HydrophobicContact CG-CE2 3.58Å; Y241-F284 HydrophobicContact CD1-CB 4.26Å; Y241-F284 AromaticContact CD1-CD1 3.47Å; Y241-F284 HydrophobicContact CD1-CD1 3.47Å; Y241-F284 VanDerWaalsContact CD1-CD1 3.47Å; Y241-F284 HydrophobicContact CD1-CE1 4.22Å; Y241-F284 HydrophobicContact CD1-CG 4.26Å; Y241-F284 HydrophobicContact CE1-CB 4.44Å; Y241-F284 AromaticContact CE1-CD1 3.76Å; Y241-F284 HydrophobicContact CE1-CD1 3.76Å; Y241-F284 HydrophobicContact CE1-CE1 4.39Å; Y241-F284 HydrophobicContact CE1-CG 4.36Å; Y241-F284 HydrophobicContact CG-CD1 4.48Å
242L92.2Very high88.6Confident15 Ų1550.7 Ų50.78%0.07931%0.306CS..EExtended strand (participates in β ladder)trans-139.3127166.2-17969.9000110.1L247 E255 L256 K274 F284 L285 D286L242-L247 HydrophobicContact CD1-CD1 4.42Å; L242-E255 HydrophobicContact CD1-CB 4.11Å; L242-L256 HydrophobicContact CD2-CD1 4.36Å; L242-L256 HydrophobicContact CD2-CD2 3.22Å; L242-L256 HydrophobicContact CD2-CG 3.49Å; L242-L256 VanDerWaalsContact CD2-CG 3.49Å; L242-K274 HydrophobicContact CD1-CG 4.45Å; L242-F284 PolarHBondContact N-O 2.81Å; L242-L285 HydrophobicContact CB-CD2 4.21Å; L242-L285 HydrophobicContact CD2-CD2 4Å; L242-D286 PolarHBondContact O-N 3.01Å
243N90.7Very high88.5Confident82 Ų8252.1 Ų52.144%0.43931%0.312SS..EExtended strand (participates in β ladder)trans-96.5121.6169.7-173.3-20.2000109.1A245 L247N243-A245 VanDerWaalsContact C-N 3.33Å; N243-A245 WeakPolarHBondContact OD1-CB 3.14Å; N243-A245 PolarHBondContact OD1-N 2.83Å; N243-L247 WeakPolarHBondContact O-CD1 3.46Å
244C87.7Confident88.5Confident9 Ų948.9 Ų48.96%0.06129%0.292CS..  trans-84.4-6.5-178.6-62.30000113.2D286 E287 L291C244-D286 VanDerWaalsContact CB-O 3.3Å; C244-D286 WeakPolarHBondContact CB-O 3.47Å; C244-D286 PolarHBondContact N-O 2.67Å; C244-E287 WeakPolarHBondContact CB-O 3.29Å; C244-L291 HydrophobicContact CB-CD2 4.26Å; C244-L291 HydrophobicContact CB-CG 3.97Å
245A83.8Confident88.4Confident38 Ų3849.7 Ų49.731%0.31430%0.296SS..THydrogen-bonded Turntrans-68.8132.1-17900000112.1N243 L247 E287N243-A245 VanDerWaalsContact C-N 3.33Å; N243-A245 WeakPolarHBondContact OD1-CB 3.14Å; N243-A245 PolarHBondContact OD1-N 2.83Å; A245-L247 PolarHBondContact O-N 3.14Å; A245-E287 HydrophobicContact CB-CB 4.24Å; A245-E287 HydrophobicContact CB-CG 4.35Å
246A71.8Confident88.4Confident103 Ų10349.1 Ų49.185%0.85129%0.291SS*.THydrogen-bonded Turntrans58.915.916800000116.8
247L77.2Confident88.5Confident66 Ų6645.5 Ų45.535%0.34627%0.269SS..  trans-82132.6171.1-69.7175000110.4L242 N243 A245 V251 A252L242-L247 HydrophobicContact CD1-CD1 4.42Å; N243-L247 WeakPolarHBondContact O-CD1 3.46Å; A245-L247 PolarHBondContact O-N 3.14Å; L247-V251 HydrophobicContact CD2-CG1 4.21Å; L247-A252 HydrophobicContact CB-CB 4.02Å; L247-A252 HydrophobicContact CD1-CB 4.45Å
248P85.3Confident88.5Confident78 Ų7842.6 Ų42.651%0.50625%0.254SS..  trans-55.9142.7166.5-21.932.4000110.4S250 V251 A252P248-S250 VanDerWaalsContact C-N 3.29Å; P248-S250 PolarHBondContact O-N 3.43Å; P248-V251 HydrophobicContact CB-CG2 4.18Å; P248-V251 HydrophobicContact CG-CG2 4.25Å; P248-V251 WeakPolarHBondContact O-CA 3.45Å; P248-V251 WeakPolarHBondContact O-CB 3.39Å; P248-V251 PolarHBondContact O-N 2.9Å; P248-A252 PolarHBondContact O-N 3.47Å
249E85.3Confident88.4Confident95 Ų9540.3 Ų40.344%0.44424%0.238SC..Hα-helixtrans-53-43.2-172.9-179.5167.5-150.800113.5V251 A252 E253 S292 A294 L295E249-V251 VanDerWaalsContact C-N 3.33Å; E249-V251 PolarHBondContact O-N 3.48Å; E249-A252 PolarHBondContact O-N 3.44Å; E249-E253 WeakPolarHBondContact O-CB 3.42Å; E249-E253 PolarHBondContact O-N 2.85Å; E249-S292 WeakPolarHBondContact OE1-CB 3.29Å; E249-S292 PolarHBondContact OE1-OG 3.14Å; E249-A294 WeakPolarHBondContact OE1-CB 3.5Å; E249-L295 HydrophobicContact CG-CD1 4.23Å; E249-L295 HydrophobicContact CG-CG 4.32Å
250S85.1Confident88.3Confident72 Ų7239.9 Ų39.950%0.50324%0.236SC..Hα-helixtrans-64.9-35.1178.256.20000113.4P248 S254P248-S250 VanDerWaalsContact C-N 3.29Å; P248-S250 PolarHBondContact O-N 3.43Å; S250-S254 WeakPolarHBondContact O-CB 3.33Å; S250-S254 PolarHBondContact O-N 2.8Å; S250-S254 VanDerWaalsContact O-N 3.08Å
251V86.7Confident88.1Confident58 Ų5846.2 Ų46.235%0.35226%0.263SS..Hα-helixtrans-72.8-44.4177.1-179.50000109.8L247 P248 E249 E253 S254 E255L247-V251 HydrophobicContact CD2-CG1 4.21Å; P248-V251 HydrophobicContact CB-CG2 4.18Å; P248-V251 HydrophobicContact CG-CG2 4.25Å; P248-V251 WeakPolarHBondContact O-CA 3.45Å; P248-V251 WeakPolarHBondContact O-CB 3.39Å; P248-V251 PolarHBondContact O-N 2.9Å; E249-V251 VanDerWaalsContact C-N 3.33Å; E249-V251 PolarHBondContact O-N 3.48Å; V251-E253 VanDerWaalsContact C-N 3.31Å; V251-E253 PolarHBondContact O-N 3.4Å; V251-S254 PolarHBondContact O-N 3.4Å; V251-E255 HydrophobicContact CG1-CG 4.39Å; V251-E255 WeakPolarHBondContact O-CG 3.45Å; V251-E255 PolarHBondContact O-N 2.92Å
252A88.1Confident87.8Confident6 Ų645.5 Ų45.55%0.0528%0.279CS..Hα-helixtrans-60.1-42.417600000111.5L247 P248 E249 E255 L256 L295L247-A252 HydrophobicContact CB-CB 4.02Å; L247-A252 HydrophobicContact CD1-CB 4.45Å; P248-A252 PolarHBondContact O-N 3.47Å; E249-A252 PolarHBondContact O-N 3.44Å; A252-E255 PolarHBondContact O-N 2.9Å; A252-L256 WeakPolarHBondContact O-CB 3.41Å; A252-L256 WeakPolarHBondContact O-CG 3.42Å; A252-L256 PolarHBondContact O-N 3.45Å; A252-L295 HydrophobicContact CB-CD1 3.62Å
253E89.9Confident87.4Confident37 Ų3746.4 Ų46.417%0.17329%0.288CS..Hα-helixtrans-60.1-49.9175.2-161.9177.1151.400112E249 V251 E255 L256 F257 L295 K298 V311E249-E253 WeakPolarHBondContact O-CB 3.42Å; E249-E253 PolarHBondContact O-N 2.85Å; V251-E253 VanDerWaalsContact C-N 3.31Å; V251-E253 PolarHBondContact O-N 3.4Å; E253-E255 VanDerWaalsContact C-N 3.34Å; E253-E255 PolarHBondContact O-N 3.13Å; E253-L256 PolarHBondContact O-N 3.29Å; E253-F257 HydrophobicContact CG-CD2 3.73Å; E253-F257 HydrophobicContact CG-CE2 4.18Å; E253-F257 WeakPolarHBondContact O-CD2 3.37Å; E253-F257 PolarHBondContact O-N 2.85Å; E253-L295 HydrophobicContact CB-CD2 3.68Å; E253-L295 HydrophobicContact CG-CD2 3.78Å; E253-K298 IonicContact OE1-NZ 3.76Å; E253-K298 PolarHBondContact OE1-NZ 2.91Å; E253-K298 IonicContact OE2-NZ 2.91Å; E253-K298 PolarHBondContact OE2-NZ 2.98Å; E253-V311 HydrophobicContact CB-CG2 4.44Å; E253-V311 HydrophobicContact CG-CG2 3.74Å; E253-V311 WeakPolarHBondContact OE1-CG2 3.25Å
254S90.7Very high87.2Confident7 Ų746.1 Ų46.15%0.04928%0.283CS..Hα-helixtrans-62.8-38.3179.8167.40000112.4S250 V251 G258 H259S250-S254 WeakPolarHBondContact O-CB 3.33Å; S250-S254 PolarHBondContact O-N 2.8Å; S250-S254 VanDerWaalsContact O-N 3.08Å; V251-S254 PolarHBondContact O-N 3.4Å; S254-G258 WeakPolarHBondContact O-CA 3.14Å; S254-G258 PolarHBondContact O-N 2.91Å; S254-H259 PolarHBondContact OG-CE1 2.79Å; S254-H259 PolarHBondContact OG-ND1 2.89Å
255E90.8Very high86.7Confident36 Ų3652.7 Ų52.717%0.16832%0.323CS..Hα-helixtrans-68-48.6175.4-71.9-67.9147.600110.4L242 V251 A252 E253 R271 G273 K274L242-E255 HydrophobicContact CD1-CB 4.11Å; V251-E255 HydrophobicContact CG1-CG 4.39Å; V251-E255 WeakPolarHBondContact O-CG 3.45Å; V251-E255 PolarHBondContact O-N 2.92Å; A252-E255 PolarHBondContact O-N 2.9Å; E253-E255 VanDerWaalsContact C-N 3.34Å; E253-E255 PolarHBondContact O-N 3.13Å; E255-R271 VanDerWaalsContact CD-NH2 3.32Å; E255-R271 IonicContact OE1-CZ 3.62Å; E255-R271 IonicContact OE1-NH1 2.92Å; E255-R271 PolarHBondContact OE1-NH1 3.21Å; E255-R271 IonicContact OE1-NH2 3.66Å; E255-R271 PolarHBondContact OE1-NH2 3.04Å; E255-R271 IonicContact OE2-CZ 3.82Å; E255-R271 IonicContact OE2-NH2 3.01Å; E255-R271 PolarHBondContact OE2-NH2 3.32Å; E255-G273 CarbonylContact O-C 3.57Å; E255-G273 WeakPolarHBondContact O-CA 3.28Å; E255-K274 VanDerWaalsContact O-CG 3.26Å; E255-K274 WeakPolarHBondContact O-CG 3.4Å; E255-K274 PolarHBondContact O-N 3.06Å; E255-K274 VanDerWaalsContact OE2-CE 3.29Å; E255-K274 WeakPolarHBondContact OE2-CE 3.02Å
256L91.5Very high86.6Confident1 Ų153.6 Ų53.61%0.00534%0.337CS..Hα-helixtrans-60.6-54.4-178.3-80.3165.2000112.6L242 A252 E253 G273 K274 F275 L285 L291L242-L256 HydrophobicContact CD2-CD1 4.36Å; L242-L256 HydrophobicContact CD2-CD2 3.22Å; L242-L256 HydrophobicContact CD2-CG 3.49Å; L242-L256 VanDerWaalsContact CD2-CG 3.49Å; A252-L256 WeakPolarHBondContact O-CB 3.41Å; A252-L256 WeakPolarHBondContact O-CG 3.42Å; A252-L256 PolarHBondContact O-N 3.45Å; E253-L256 PolarHBondContact O-N 3.29Å; L256-G273 CarbonylContact O-C 3.46Å; L256-G273 WeakPolarHBondContact O-CA 3.38Å; L256-K274 PolarHBondContact O-N 2.9Å; L256-K274 VanDerWaalsContact O-N 3.07Å; L256-F275 HydrophobicContact CD2-CD2 4.42Å; L256-F275 HydrophobicContact CD2-CE2 3.94Å; L256-F275 PolarHBondContact O-N 2.62Å; L256-L285 HydrophobicContact CD2-CD2 3.94Å; L256-L291 HydrophobicContact CD1-CD2 4.24Å
257F92.2Very high87.1Confident5 Ų549 Ų492%0.02230%0.299CS..Hα-helixtrans-106.3-12.5-167.1-50.9-64.6000113.8E253 F275 L295 K298 V302 R310E253-F257 HydrophobicContact CG-CD2 3.73Å; E253-F257 HydrophobicContact CG-CE2 4.18Å; E253-F257 WeakPolarHBondContact O-CD2 3.37Å; E253-F257 PolarHBondContact O-N 2.85Å; F257-F275 HydrophobicContact CD1-CD2 4.02Å; F257-F275 HydrophobicContact CD1-CE2 4.41Å; F257-F275 AromaticContact CE1-CD2 3.95Å; F257-F275 HydrophobicContact CE1-CD2 3.95Å; F257-F275 AromaticContact CE1-CE2 3.87Å; F257-F275 HydrophobicContact CE1-CE2 3.87Å; F257-L295 HydrophobicContact CE2-CD2 4.14Å; F257-K298 HydrophobicContact CD2-CD 4.42Å; F257-K298 HydrophobicContact CE1-CB 4.33Å; F257-K298 HydrophobicContact CE2-CB 3.71Å; F257-K298 HydrophobicContact CE2-CD 3.94Å; F257-K298 HydrophobicContact CE2-CG 4.45Å; F257-K298 HydrophobicContact CZ-CB 3.48Å; F257-K298 VanDerWaalsContact CZ-CB 3.48Å; F257-V302 HydrophobicContact CD1-CG2 4.35Å; F257-V302 HydrophobicContact CE1-CG2 3.75Å; F257-R310 WeakPolarHBondContact O-CG 3.48Å
258G91.8Very high87.5Confident0 Ų052.8 Ų52.80%032%0.318CS..EExtended strand (participates in β ladder)trans79.2171.3-174.300000112.3S254 R271 V311S254-G258 WeakPolarHBondContact O-CA 3.14Å; S254-G258 PolarHBondContact O-N 2.91Å; G258-R271 CarbonylContact C-O 3.55Å; G258-R271 WeakPolarHBondContact CA-O 3.49Å; G258-V311 WeakPolarHBondContact O-CG2 3.41Å; G258-V311 PolarHBondContact O-N 2.83Å
259H91.6Very high87.6Confident14 Ų1452.1 Ų52.17%0.06532%0.315CS..EExtended strand (participates in β ladder)trans-142.4153.9179.262.7-98.4000111.8S254 A263 F264 S269 N270 R271 V311S254-H259 PolarHBondContact OG-CE1 2.79Å; S254-H259 PolarHBondContact OG-ND1 2.89Å; H259-A263 HydrophobicContact CB-CB 4.16Å; H259-F264 HydrophobicContact CB-CE1 3.99Å; H259-F264 AromaticContact CG-CE1 3.92Å; H259-S269 PolarHBondContact CD2-O 2.89Å; H259-S269 VanDerWaalsContact CD2-O 3.24Å; H259-S269 PolarHBondContact NE2-O 3.1Å; H259-S269 VanDerWaalsContact NE2-O 3.11Å; H259-N270 WeakPolarHBondContact O-CA 3.21Å; H259-R271 PolarHBondContact N-O 3.15Å; H259-R271 PolarHBondContact O-N 3.23Å; H259-V311 HydrophobicContact CB-CB 4.14Å
260V92.5Very high87.8Confident24 Ų2452.5 Ų52.515%0.14532%0.32CS..  trans-90.3154.6164.8-64.20000110.7G262 A263 N270 V311 G312 D313V260-G262 PolarHBondContact O-N 3.37Å; V260-A263 HydrophobicContact CG2-CB 4.4Å; V260-A263 VanDerWaalsContact O-CB 3.23Å; V260-A263 WeakPolarHBondContact O-CB 3.34Å; V260-A263 PolarHBondContact O-N 3.46Å; V260-A263 VanDerWaalsContact O-N 3.08Å; V260-N270 WeakPolarHBondContact CA-OD1 3.35Å; V260-V311 WeakPolarHBondContact CG2-O 3.4Å; V260-V311 PolarHBondContact N-O 2.81Å; V260-V311 VanDerWaalsContact N-O 3.16Å; V260-G312 VanDerWaalsContact CG2-C 3.48Å; V260-G312 WeakPolarHBondContact CG2-O 3.48Å; V260-D313 HydrophobicContact CG1-CB 3.87Å; V260-D313 HydrophobicContact CG2-CB 4.44Å
261K90.6Very high88Confident147 Ų14754.4 Ų54.464%0.63932%0.316SS*.THydrogen-bonded Turntrans-54.2127.4174.5179.3179178.7-178.80109.2A267 N270K261-A267 WeakPolarHBondContact CA-O 3.43Å; K261-N270 WeakPolarHBondContact CB-OD1 3.48Å; K261-N270 PolarHBondContact N-OD1 3.36Å
262G87.5Confident88.1Confident63 Ų6354.1 Ų54.165%0.64932%0.317SS*.THydrogen-bonded Turntrans87.92.5-179.200000115.8V260 F264 A267V260-G262 PolarHBondContact O-N 3.37Å; G262-F264 VanDerWaalsContact C-N 3.28Å; G262-F264 PolarHBondContact O-N 2.81Å; G262-A267 PolarHBondContact N-O 3.45Å
263A85Confident88.3Confident33 Ų3353.8 Ų53.827%0.27331%0.314SS..SBendtrans-61.8-32.2178.300000114H259 V260 A267 V311H259-A263 HydrophobicContact CB-CB 4.16Å; V260-A263 HydrophobicContact CG2-CB 4.4Å; V260-A263 VanDerWaalsContact O-CB 3.23Å; V260-A263 WeakPolarHBondContact O-CB 3.34Å; V260-A263 PolarHBondContact O-N 3.46Å; V260-A263 VanDerWaalsContact O-N 3.08Å; A263-A267 HydrophobicContact CB-CB 4.45Å; A263-V311 HydrophobicContact CB-CB 4.32Å; A263-V311 HydrophobicContact CB-CG1 4.12Å; A263-V311 WeakPolarHBondContact CB-O 3.47Å
264F85.6Confident88.5Confident76 Ų7654 Ų5433%0.33332%0.315SS..SBendtrans-154.5171.7175.357.6-90.8000110.8H259 G262 G266 A267H259-F264 HydrophobicContact CB-CE1 3.99Å; H259-F264 AromaticContact CG-CE1 3.92Å; G262-F264 VanDerWaalsContact C-N 3.28Å; G262-F264 PolarHBondContact O-N 2.81Å; F264-G266 PolarHBondContact O-N 3.02Å; F264-A267 HydrophobicContact CD1-CB 4.23Å; F264-A267 HydrophobicContact CD2-CB 4.49Å; F264-A267 HydrophobicContact CE1-CB 4.18Å; F264-A267 HydrophobicContact CE2-CB 4.43Å; F264-A267 HydrophobicContact CG-CB 4.39Å; F264-A267 HydrophobicContact CZ-CB 4.27Å; F264-A267 WeakPolarHBondContact O-CB 3.49Å; F264-A267 PolarHBondContact O-N 2.75Å
265T78.1Confident88.6Confident147 Ų14753.7 Ų53.790%0.90231%0.312SS*.THydrogen-bonded Turntrans-63.1103.8176.245.60000110.6
266G80.6Confident88.7Confident58 Ų5855 Ų5560%0.59832%0.319SS*.THydrogen-bonded Turntrans119.9-10.9-175.800000114.8F264 I268F264-G266 PolarHBondContact O-N 3.02Å; G266-I268 PolarHBondContact O-N 3.35Å
267A83.4Confident88.8Confident7 Ų759.6 Ų59.66%0.05834%0.341CS..  trans-74.372.7174.900000111.7K261 G262 A263 F264 S269K261-A267 WeakPolarHBondContact CA-O 3.43Å; G262-A267 PolarHBondContact N-O 3.45Å; A263-A267 HydrophobicContact CB-CB 4.45Å; F264-A267 HydrophobicContact CD1-CB 4.23Å; F264-A267 HydrophobicContact CD2-CB 4.49Å; F264-A267 HydrophobicContact CE1-CB 4.18Å; F264-A267 HydrophobicContact CE2-CB 4.43Å; F264-A267 HydrophobicContact CG-CB 4.39Å; F264-A267 HydrophobicContact CZ-CB 4.27Å; F264-A267 WeakPolarHBondContact O-CB 3.49Å; F264-A267 PolarHBondContact O-N 2.75Å; A267-S269 VanDerWaalsContact C-N 3.35Å
268I85.9Confident88.9Confident144 Ų14459.3 Ų59.374%0.73834%0.34SS*.  trans-74.6-22.3-176.656.6172.4000113.7G266G266-I268 PolarHBondContact O-N 3.35Å
269S87.5Confident89Confident65 Ų6562.1 Ų62.146%0.45536%0.355SS..SBendtrans-141.9166179.959.50000110.7H259 A267H259-S269 PolarHBondContact CD2-O 2.89Å; H259-S269 VanDerWaalsContact CD2-O 3.24Å; H259-S269 PolarHBondContact NE2-O 3.1Å; H259-S269 VanDerWaalsContact NE2-O 3.11Å; A267-S269 VanDerWaalsContact C-N 3.35Å
270N89Confident89.1Confident102 Ų10265.2 Ų65.255%0.54537%0.372SS..  trans-71.1144.4166.7-62.8-19.8000109.3H259 V260 K261H259-N270 WeakPolarHBondContact O-CA 3.21Å; V260-N270 WeakPolarHBondContact CA-OD1 3.35Å; K261-N270 WeakPolarHBondContact CB-OD1 3.48Å; K261-N270 PolarHBondContact N-OD1 3.36Å
271R89Confident89.2Confident113 Ų11364 Ų6443%0.42637%0.365SS..EExtended strand (participates in β ladder)trans-139130.6174.5-169.6172.4179.1-163.5-10.9110.2E255 G258 H259E255-R271 VanDerWaalsContact CD-NH2 3.32Å; E255-R271 IonicContact OE1-CZ 3.62Å; E255-R271 IonicContact OE1-NH1 2.92Å; E255-R271 PolarHBondContact OE1-NH1 3.21Å; E255-R271 IonicContact OE1-NH2 3.66Å; E255-R271 PolarHBondContact OE1-NH2 3.04Å; E255-R271 IonicContact OE2-CZ 3.82Å; E255-R271 IonicContact OE2-NH2 3.01Å; E255-R271 PolarHBondContact OE2-NH2 3.32Å; G258-R271 CarbonylContact C-O 3.55Å; G258-R271 WeakPolarHBondContact CA-O 3.49Å; H259-R271 PolarHBondContact N-O 3.15Å; H259-R271 PolarHBondContact O-N 3.23Å
272S89Confident89.5Confident51 Ų5157 Ų5736%0.35733%0.334SS..EExtended strand (participates in β ladder)trans-70.8143.1173.253.40000110.8E276S272-E276 WeakPolarHBondContact CB-OE2 3.46Å
273G92.3Very high89.9Confident0 Ų054 Ų540%030%0.303CS..  trans-79.2165.5176.800000113E255 L256 F275 E276 M277E255-G273 CarbonylContact O-C 3.57Å; E255-G273 WeakPolarHBondContact O-CA 3.28Å; L256-G273 CarbonylContact O-C 3.46Å; L256-G273 WeakPolarHBondContact O-CA 3.38Å; G273-F275 VanDerWaalsContact C-N 3.25Å; G273-F275 PolarHBondContact O-N 2.82Å; G273-E276 PolarHBondContact O-N 3.21Å; G273-M277 WeakPolarHBondContact O-CG 3.47Å; G273-M277 PolarHBondContact O-N 3.06Å
274K93.2Very high90.5Very high41 Ų4152.6 Ų52.618%0.17829%0.291CS..Hα-helixtrans-61.3-33.3175.2-65.1-68.2176168.30112.5V240 L242 E255 L256 M277 A278 L283V240-K274 HydrophobicContact CG1-CB 4.05Å; V240-K274 HydrophobicContact CG1-CD 3.53Å; V240-K274 HydrophobicContact CG1-CG 4.32Å; L242-K274 HydrophobicContact CD1-CG 4.45Å; E255-K274 VanDerWaalsContact O-CG 3.26Å; E255-K274 WeakPolarHBondContact O-CG 3.4Å; E255-K274 PolarHBondContact O-N 3.06Å; E255-K274 VanDerWaalsContact OE2-CE 3.29Å; E255-K274 WeakPolarHBondContact OE2-CE 3.02Å; L256-K274 PolarHBondContact O-N 2.9Å; L256-K274 VanDerWaalsContact O-N 3.07Å; K274-M277 HydrophobicContact CD-SD 4.27Å; K274-M277 PolarHBondContact O-N 3.25Å; K274-A278 VanDerWaalsContact O-CB 3.27Å; K274-A278 WeakPolarHBondContact O-CB 3.46Å; K274-A278 PolarHBondContact O-N 3.02Å; K274-L283 HydrophobicContact CB-CD1 3.92Å
275F94.2Very high90.9Very high1 Ų149 Ų490%0.00428%0.275CS..Hα-helixtrans-62.5-43.9173.6-86.8-72.3000112.7L256 F257 G273 M277 A278 D279 L283 L299 V302 I308 V321 V323L256-F275 HydrophobicContact CD2-CD2 4.42Å; L256-F275 HydrophobicContact CD2-CE2 3.94Å; L256-F275 PolarHBondContact O-N 2.62Å; F257-F275 HydrophobicContact CD1-CD2 4.02Å; F257-F275 HydrophobicContact CD1-CE2 4.41Å; F257-F275 AromaticContact CE1-CD2 3.95Å; F257-F275 HydrophobicContact CE1-CD2 3.95Å; F257-F275 AromaticContact CE1-CE2 3.87Å; F257-F275 HydrophobicContact CE1-CE2 3.87Å; G273-F275 VanDerWaalsContact C-N 3.25Å; G273-F275 PolarHBondContact O-N 2.82Å; F275-M277 VanDerWaalsContact C-N 3.34Å; F275-A278 CarbonylContact O-C 3.58Å; F275-A278 PolarHBondContact O-N 3.26Å; F275-D279 PolarHBondContact O-N 3.44Å; F275-L283 HydrophobicContact CD1-CD2 3.76Å; F275-L283 HydrophobicContact CD2-CD2 4.08Å; F275-L283 HydrophobicContact CE1-CD2 3.46Å; F275-L283 VanDerWaalsContact CE1-CD2 3.46Å; F275-L283 HydrophobicContact CE2-CD2 3.81Å; F275-L283 HydrophobicContact CG-CD2 4.04Å; F275-L283 HydrophobicContact CZ-CD2 3.47Å; F275-L283 VanDerWaalsContact CZ-CD2 3.47Å; F275-L299 HydrophobicContact CE2-CD1 3.95Å; F275-L299 HydrophobicContact CZ-CD1 3.44Å; F275-L299 VanDerWaalsContact CZ-CD1 3.44Å; F275-V302 HydrophobicContact CD1-CG1 3.65Å; F275-V302 HydrophobicContact CD2-CG1 4.47Å; F275-V302 HydrophobicContact CE1-CB 4.36Å; F275-V302 HydrophobicContact CE1-CG1 3.54Å; F275-V302 HydrophobicContact CE2-CG1 4.37Å; F275-V302 HydrophobicContact CE2-CG2 4.47Å; F275-V302 HydrophobicContact CG-CG1 4.15Å; F275-V302 HydrophobicContact CZ-CB 4.28Å; F275-V302 HydrophobicContact CZ-CG1 3.93Å; F275-I308 HydrophobicContact CB-CD1 4.31Å; F275-I308 HydrophobicContact CB-CG2 3.84Å; F275-I308 HydrophobicContact CG-CG2 4.11Å; F275-V321 HydrophobicContact CD1-CB 4.23Å; F275-V321 HydrophobicContact CD1-CG1 4.24Å; F275-V321 HydrophobicContact CD1-CG2 4.14Å; F275-V321 HydrophobicContact CE1-CG1 4.43Å; F275-V321 WeakPolarHBondContact O-CG2 3.3Å; F275-V323 HydrophobicContact CE1-CG2 4.25Å
276E93.1Very high91.8Very high64 Ų6443.4 Ų43.430%0.29924%0.24SC..Hα-helixtrans-67.1-38.1178.1-170179.9165.200111.2S272 G273 A278 D279 I308 R310S272-E276 WeakPolarHBondContact CB-OE2 3.46Å; G273-E276 PolarHBondContact O-N 3.21Å; E276-A278 PolarHBondContact O-N 3.44Å; E276-D279 WeakPolarHBondContact O-CB 3.5Å; E276-D279 PolarHBondContact O-N 2.89Å; E276-I308 HydrophobicContact CB-CD1 4.03Å; E276-R310 IonicContact OE1-CZ 3.99Å; E276-R310 IonicContact OE1-NH2 2.79Å; E276-R310 PolarHBondContact OE1-NH2 2.91Å; E276-R310 IonicContact OE2-CZ 3.44Å; E276-R310 IonicContact OE2-NE 3.69Å; E276-R310 PolarHBondContact OE2-NE 3.29Å; E276-R310 IonicContact OE2-NH2 2.74Å; E276-R310 PolarHBondContact OE2-NH2 3.49Å
277M92.8Very high92.4Very high96 Ų9641.5 Ų41.547%0.47322%0.215SC..Hα-helixtrans-66.4-24.8174.3-66176.566.700113.4P238 V240 G273 K274 F275P238-M277 WeakPolarHBondContact CG-O 3.38Å; V240-M277 HydrophobicContact CG2-CB 4.1Å; G273-M277 WeakPolarHBondContact O-CG 3.47Å; G273-M277 PolarHBondContact O-N 3.06Å; K274-M277 HydrophobicContact CD-SD 4.27Å; K274-M277 PolarHBondContact O-N 3.25Å; F275-M277 VanDerWaalsContact C-N 3.34Å
278A94.1Very high92.9Very high0 Ų041.2 Ų41.20%021%0.213CC..THydrogen-bonded Turntrans-96.68.3-178.200000112.8V240 K274 F275 E276 N280 G281 L283 V321V240-A278 HydrophobicContact CB-CB 3.92Å; V240-A278 HydrophobicContact CG2-CB 3.68Å; K274-A278 VanDerWaalsContact O-CB 3.27Å; K274-A278 WeakPolarHBondContact O-CB 3.46Å; K274-A278 PolarHBondContact O-N 3.02Å; F275-A278 CarbonylContact O-C 3.58Å; F275-A278 PolarHBondContact O-N 3.26Å; E276-A278 PolarHBondContact O-N 3.44Å; A278-N280 PolarHBondContact O-N 2.99Å; A278-G281 CarbonylContact O-C 3.56Å; A278-G281 VanDerWaalsContact O-CA 3.27Å; A278-G281 WeakPolarHBondContact O-CA 3.32Å; A278-G281 PolarHBondContact O-N 3.43Å; A278-L283 HydrophobicContact CB-CB 4.04Å; A278-V321 HydrophobicContact CB-CG1 3.81Å; A278-V321 HydrophobicContact CB-CG2 4.26Å
279D93.8Very high93.2Very high59 Ų5934.6 Ų34.632%0.31618%0.18SC..THydrogen-bonded Turntrans-58.4133.7-178.4-170.242.4000111.5F275 E276 G281 V319 D320F275-D279 PolarHBondContact O-N 3.44Å; E276-D279 WeakPolarHBondContact O-CB 3.5Å; E276-D279 PolarHBondContact O-N 2.89Å; D279-G281 PolarHBondContact O-N 3Å; D279-V319 HydrophobicContact CB-CG1 4.49Å; D279-V319 VanDerWaalsContact OD1-CA 3.29Å; D279-V319 WeakPolarHBondContact OD1-CA 3.13Å; D279-D320 PolarHBondContact OD1-N 3.25Å
280N93.5Very high93.4Very high78 Ų7835.3 Ų35.342%0.41718%0.176SC..THydrogen-bonded Turntrans60.2-1.2-167.5-53.5-78.1000115.3R234 N237 A278 D320R234-N280 VanDerWaalsContact NH1-C 3.29Å; R234-N280 PolarHBondContact NH1-O 3.07Å; N237-N280 WeakPolarHBondContact CB-O 3.47Å; N237-N280 PolarHBondContact ND2-O 2.73Å; A278-N280 PolarHBondContact O-N 2.99Å; N280-D320 WeakPolarHBondContact CA-O 3.45Å; N280-D320 PolarHBondContact N-O 3.37Å
281G94.8Very high93.6Very high0 Ų031 Ų310%015%0.153CC..SBendtrans-106.5-142.8-178.800000112.9R234 P238 A278 D279 R322R234-G281 WeakPolarHBondContact CD-O 3.48Å; R234-G281 PolarHBondContact NH1-O 3.47Å; P238-G281 WeakPolarHBondContact O-CA 3.4Å; A278-G281 CarbonylContact O-C 3.56Å; A278-G281 VanDerWaalsContact O-CA 3.27Å; A278-G281 WeakPolarHBondContact O-CA 3.32Å; A278-G281 PolarHBondContact O-N 3.43Å; D279-G281 PolarHBondContact O-N 3Å; G281-R322 PolarHBondContact O-N 3.01Å
282T96.5Very high93.7Very high0 Ų027.3 Ų27.30%015%0.145CC..EExtended strand (participates in β ladder)trans-134.8134.9-178.6-57.40000110.3H229 P238 L239 V240 R322 L324H229-T282 WeakPolarHBondContact ND1-CB 3.38Å; H229-T282 PolarHBondContact ND1-OG1 3.37Å; P238-T282 PolarHBondContact O-N 2.87Å; L239-T282 WeakPolarHBondContact CA-O 3.36Å; L239-T282 HydrophobicContact CD1-CG2 3.72Å; V240-T282 PolarHBondContact N-O 3.17Å; T282-R322 CarbonylContact C-O 3.49Å; T282-R322 VanDerWaalsContact CA-O 3.3Å; T282-R322 WeakPolarHBondContact CA-O 3.48Å; T282-R322 HydrophobicContact CG2-CB 4.43Å; T282-L324 HydrophobicContact CG2-CD1 3.65Å; T282-L324 HydrophobicContact CG2-CG 3.64Å
283L96.5Very high93.9Very high0 Ų028.9 Ų28.90%015%0.149CC..EExtended strand (participates in β ladder)trans-106.3120.2172.3-178.865.6000109.6V240 K274 F275 A278 L285 V321 R322 L324V240-L283 HydrophobicContact CB-CD1 4Å; V240-L283 HydrophobicContact CG1-CD1 3.9Å; K274-L283 HydrophobicContact CB-CD1 3.92Å; F275-L283 HydrophobicContact CD1-CD2 3.76Å; F275-L283 HydrophobicContact CD2-CD2 4.08Å; F275-L283 HydrophobicContact CE1-CD2 3.46Å; F275-L283 VanDerWaalsContact CE1-CD2 3.46Å; F275-L283 HydrophobicContact CE2-CD2 3.81Å; F275-L283 HydrophobicContact CG-CD2 4.04Å; F275-L283 HydrophobicContact CZ-CD2 3.47Å; F275-L283 VanDerWaalsContact CZ-CD2 3.47Å; A278-L283 HydrophobicContact CB-CB 4.04Å; L283-L285 HydrophobicContact CD1-CD2 4.47Å; L283-L285 HydrophobicContact CD2-CD2 3.88Å; L283-L285 HydrophobicContact CD2-CG 4.31Å; L283-L285 HydrophobicContact CG-CD2 3.96Å; L283-L285 HydrophobicContact CG-CG 4.22Å; L283-V321 HydrophobicContact CB-CG1 3.57Å; L283-R322 PolarHBondContact N-O 3.42Å; L283-L324 PolarHBondContact O-N 2.8Å
284F97.2Very high93.9Very high3 Ų331.3 Ų31.31%0.01317%0.169CC..EExtended strand (participates in β ladder)trans-96.7120.4172178.5-112.9000110.9I213 E222 A225 L239 V240 Y241 L242 D286 L324 A326I213-F284 HydrophobicContact CD1-CE2 4.29Å; E222-F284 HydrophobicContact CB-CE1 4.42Å; E222-F284 HydrophobicContact CG-CE1 4.23Å; A225-F284 HydrophobicContact CB-CD2 3.29Å; A225-F284 HydrophobicContact CB-CE2 3.38Å; A225-F284 HydrophobicContact CB-CG 3.94Å; A225-F284 HydrophobicContact CB-CZ 4.08Å; L239-F284 HydrophobicContact CD1-CB 4.29Å; V240-F284 PolarHBondContact O-N 2.76Å; Y241-F284 HydrophobicContact CD1-CB 4.26Å; Y241-F284 AromaticContact CD1-CD1 3.47Å; Y241-F284 HydrophobicContact CD1-CD1 3.47Å; Y241-F284 VanDerWaalsContact CD1-CD1 3.47Å; Y241-F284 HydrophobicContact CD1-CE1 4.22Å; Y241-F284 HydrophobicContact CD1-CG 4.26Å; Y241-F284 HydrophobicContact CE1-CB 4.44Å; Y241-F284 AromaticContact CE1-CD1 3.76Å; Y241-F284 HydrophobicContact CE1-CD1 3.76Å; Y241-F284 HydrophobicContact CE1-CE1 4.39Å; Y241-F284 HydrophobicContact CE1-CG 4.36Å; Y241-F284 HydrophobicContact CG-CD1 4.48Å; L242-F284 PolarHBondContact N-O 2.81Å; F284-D286 HydrophobicContact CD1-CB 4.43Å; F284-D286 HydrophobicContact CE1-CB 3.7Å; F284-D286 HydrophobicContact CZ-CB 4.07Å; F284-L324 CarbonylContact C-O 3.41Å; F284-L324 VanDerWaalsContact CA-O 3.28Å; F284-L324 WeakPolarHBondContact CA-O 3.47Å; F284-L324 HydrophobicContact CD2-CB 3.99Å; F284-L324 WeakPolarHBondContact CD2-O 3.2Å; F284-A326 HydrophobicContact CE2-CB 3.57Å; F284-A326 HydrophobicContact CZ-CB 3.57Å
285L95.6Very high93.8Very high0 Ų029.5 Ų29.50%016%0.161CC..EExtended strand (participates in β ladder)trans-108.399.9179.4-61.1174.7000109.6L242 L256 L283 I288 L299 V323 L324 A325 A326L242-L285 HydrophobicContact CB-CD2 4.21Å; L242-L285 HydrophobicContact CD2-CD2 4Å; L256-L285 HydrophobicContact CD2-CD2 3.94Å; L283-L285 HydrophobicContact CD1-CD2 4.47Å; L283-L285 HydrophobicContact CD2-CD2 3.88Å; L283-L285 HydrophobicContact CD2-CG 4.31Å; L283-L285 HydrophobicContact CG-CD2 3.96Å; L283-L285 HydrophobicContact CG-CG 4.22Å; L285-I288 HydrophobicContact CB-CD1 3.71Å; L285-I288 HydrophobicContact CD1-CD1 3.58Å; L285-I288 HydrophobicContact CG-CD1 4.23Å; L285-L299 HydrophobicContact CD1-CD1 4.02Å; L285-L299 HydrophobicContact CD1-CD2 3.94Å; L285-V323 HydrophobicContact CD1-CG1 3.82Å; L285-V323 HydrophobicContact CG-CG1 4.42Å; L285-L324 PolarHBondContact N-O 3.38Å; L285-A325 CarbonylContact O-C 3.56Å; L285-A325 WeakPolarHBondContact O-CA 3.43Å; L285-A326 PolarHBondContact O-N 3.16Å
286D95Very high93.9Very high30 Ų3029.4 Ų29.416%0.1616%0.161CC..EExtended strand (participates in β ladder)trans-84.2146.3176.5-160.216.7000111.7L242 C244 F284 I288L242-D286 PolarHBondContact O-N 3.01Å; C244-D286 VanDerWaalsContact CB-O 3.3Å; C244-D286 WeakPolarHBondContact CB-O 3.47Å; C244-D286 PolarHBondContact N-O 2.67Å; F284-D286 HydrophobicContact CD1-CB 4.43Å; F284-D286 HydrophobicContact CE1-CB 3.7Å; F284-D286 HydrophobicContact CZ-CB 4.07Å; D286-I288 VanDerWaalsContact C-N 3.34Å; D286-I288 PolarHBondContact O-N 3.4Å
287E94.3Very high93.8Very high18 Ų1828 Ų288%0.08416%0.16CC..THydrogen-bonded Turntrans5048.7-175.6-57.4-62.9177.600113.4C244 A245 G289 E290 A326 N328C244-E287 WeakPolarHBondContact CB-O 3.29Å; A245-E287 HydrophobicContact CB-CB 4.24Å; A245-E287 HydrophobicContact CB-CG 4.35Å; E287-G289 PolarHBondContact O-N 3.22Å; E287-E290 HydrophobicContact CB-CG 4.05Å; E287-E290 WeakPolarHBondContact O-CB 3.41Å; E287-E290 PolarHBondContact O-N 2.89Å; E287-A326 WeakPolarHBondContact CA-O 3.18Å; E287-A326 PolarHBondContact N-O 3.14Å; E287-N328 PolarHBondContact OE1-ND2 2.81Å; E287-N328 PolarHBondContact OE2-N 3.01Å; E287-N328 PolarHBondContact OE2-ND2 3.21Å; E287-N328 VanDerWaalsContact OE2-ND2 3.07Å
288I94.5Very high93.8Very high0 Ų027.3 Ų27.30%015%0.154CC..G310 helixtrans-55.6-28.2-179-163.780000113L212 L285 D286 E290 L291 L299 A325 A326 L331 F340 L348L212-I288 HydrophobicContact CD1-CG2 4.49Å; L285-I288 HydrophobicContact CB-CD1 3.71Å; L285-I288 HydrophobicContact CD1-CD1 3.58Å; L285-I288 HydrophobicContact CG-CD1 4.23Å; D286-I288 VanDerWaalsContact C-N 3.34Å; D286-I288 PolarHBondContact O-N 3.4Å; I288-E290 PolarHBondContact O-N 3.29Å; I288-L291 HydrophobicContact CD1-CD1 3.3Å; I288-L291 HydrophobicContact CG1-CD1 3.97Å; I288-L291 PolarHBondContact O-N 3.32Å; I288-L299 HydrophobicContact CD1-CD2 3.78Å; I288-A325 HydrophobicContact CB-CB 4.31Å; I288-A325 HydrophobicContact CG1-CB 4.43Å; I288-A325 HydrophobicContact CG2-CB 4.26Å; I288-A326 PolarHBondContact N-O 3.19Å; I288-L331 HydrophobicContact CG2-CD1 4.12Å; I288-F340 HydrophobicContact CG1-CE2 4.34Å; I288-F340 HydrophobicContact CG1-CZ 4.37Å; I288-L348 HydrophobicContact CG1-CD1 4Å
289G92.2Very high93.7Very high5 Ų527.3 Ų27.35%0.05215%0.154CC..G310 helixtrans-65.5-11.717700000114.7E287E287-G289 PolarHBondContact O-N 3.22Å
290E91.5Very high93.7Very high81 Ų8125 Ų2538%0.37914%0.142SC..G310 helixtrans-89.9-8.2177-60.5-64.8162.600113.5E287 I288 R329E287-E290 HydrophobicContact CB-CG 4.05Å; E287-E290 WeakPolarHBondContact O-CB 3.41Å; E287-E290 PolarHBondContact O-N 2.89Å; I288-E290 PolarHBondContact O-N 3.29Å; E290-R329 IonicContact OE1-CZ 2.7Å; E290-R329 IonicContact OE1-NE 2.95Å; E290-R329 PolarHBondContact OE1-NE 3.01Å; E290-R329 IonicContact OE1-NH2 3.72Å; E290-R329 PolarHBondContact OE1-NH2 3.48Å; E290-R329 IonicContact OE2-CZ 2.79Å; E290-R329 IonicContact OE2-NH2 3.64Å; E290-R329 PolarHBondContact OE2-NH2 2.83Å
291L92Very high93.5Very high11 Ų1129.4 Ų29.46%0.05815%0.152CC..SBendtrans-67.4141.8-179.2-81.2165.5000112.2C244 L256 I288 L295 Q296 L299C244-L291 HydrophobicContact CB-CD2 4.26Å; C244-L291 HydrophobicContact CB-CG 3.97Å; L256-L291 HydrophobicContact CD1-CD2 4.24Å; I288-L291 HydrophobicContact CD1-CD1 3.3Å; I288-L291 HydrophobicContact CG1-CD1 3.97Å; I288-L291 PolarHBondContact O-N 3.32Å; L291-L295 HydrophobicContact CD2-CB 3.97Å; L291-L295 HydrophobicContact CD2-CD1 3.79Å; L291-Q296 HydrophobicContact CB-CG 4.01Å; L291-Q296 PolarHBondContact O-NE2 2.91Å; L291-L299 HydrophobicContact CD1-CD2 4.16Å
292S92.1Very high93.4Very high36 Ų3629.9 Ų29.925%0.25216%0.155SC..  trans-64.9152.6172.578.90000111.8E249 A294 L295 Q296E249-S292 WeakPolarHBondContact OE1-CB 3.29Å; E249-S292 PolarHBondContact OE1-OG 3.14Å; S292-A294 PolarHBondContact O-N 2.89Å; S292-L295 PolarHBondContact O-N 3.48Å; S292-L295 VanDerWaalsContact O-N 3.14Å; S292-L295 WeakPolarHBondContact OG-CG 3.35Å; S292-L295 PolarHBondContact OG-N 2.91Å; S292-Q296 VanDerWaalsContact O-CG 3.28Å; S292-Q296 WeakPolarHBondContact O-CG 3.24Å; S292-Q296 PolarHBondContact O-N 3.2Å
293L93Very high93.2Very high83 Ų8330.8 Ų30.844%0.43516%0.16SC..Hα-helixtrans-57.8-31.6177.5-70.3174.1000113.2A297 R339 R341L293-A297 PolarHBondContact O-N 3.38Å; L293-A297 VanDerWaalsContact O-N 3.11Å; L293-R339 WeakPolarHBondContact CD2-O 3.41Å; L293-R341 HydrophobicContact CD2-CG 3.93Å
294A91.6Very high92.9Very high51 Ų5134.4 Ų34.442%0.42118%0.177SC..Hα-helixtrans-70.9-42.9177.900000111.6E249 S292 A297 K298E249-A294 WeakPolarHBondContact OE1-CB 3.5Å; S292-A294 PolarHBondContact O-N 2.89Å; A294-A297 PolarHBondContact O-N 2.89Å; A294-K298 PolarHBondContact O-N 3.47Å
295L92.5Very high92.5Very high3 Ų340.7 Ų40.72%0.01620%0.202CC..Hα-helixtrans-66.8-38.3174.2-68.4177.9000111.8E249 A252 E253 F257 L291 S292 A297 K298 L299E249-L295 HydrophobicContact CG-CD1 4.23Å; E249-L295 HydrophobicContact CG-CG 4.32Å; A252-L295 HydrophobicContact CB-CD1 3.62Å; E253-L295 HydrophobicContact CB-CD2 3.68Å; E253-L295 HydrophobicContact CG-CD2 3.78Å; F257-L295 HydrophobicContact CE2-CD2 4.14Å; L291-L295 HydrophobicContact CD2-CB 3.97Å; L291-L295 HydrophobicContact CD2-CD1 3.79Å; S292-L295 PolarHBondContact O-N 3.48Å; S292-L295 VanDerWaalsContact O-N 3.14Å; S292-L295 WeakPolarHBondContact OG-CG 3.35Å; S292-L295 PolarHBondContact OG-N 2.91Å; L295-A297 VanDerWaalsContact C-N 3.27Å; L295-A297 PolarHBondContact O-N 3.24Å; L295-K298 PolarHBondContact O-N 3.28Å; L295-K298 VanDerWaalsContact O-N 3.15Å; L295-L299 WeakPolarHBondContact O-CB 3.45Å; L295-L299 PolarHBondContact O-N 2.83Å
296Q94.6Very high92.2Very high0 Ų041.4 Ų41.40%021%0.209CC..Hα-helixtrans-57.2-41.1173.4-70.7175.432.900111.6L291 S292 L299 L300 R339 F340 R341 L344L291-Q296 HydrophobicContact CB-CG 4.01Å; L291-Q296 PolarHBondContact O-NE2 2.91Å; S292-Q296 VanDerWaalsContact O-CG 3.28Å; S292-Q296 WeakPolarHBondContact O-CG 3.24Å; S292-Q296 PolarHBondContact O-N 3.2Å; Q296-L299 PolarHBondContact O-N 3.44Å; Q296-L300 WeakPolarHBondContact O-CB 3.27Å; Q296-L300 PolarHBondContact O-N 3.48Å; Q296-R339 PolarHBondContact NE2-O 3.01Å; Q296-F340 HydrophobicContact CG-CE2 4.35Å; Q296-R341 HydrophobicContact CB-CG 4.31Å; Q296-L344 HydrophobicContact CB-CD2 3.57Å; Q296-L344 HydrophobicContact CG-CD2 3.7Å
297A92.5Very high92Very high34 Ų3442.8 Ų42.828%0.28122%0.216SC..Hα-helixtrans-65.3-39.3176.600000112.6L293 A294 L295 R301L293-A297 PolarHBondContact O-N 3.38Å; L293-A297 VanDerWaalsContact O-N 3.11Å; A294-A297 PolarHBondContact O-N 2.89Å; L295-A297 VanDerWaalsContact C-N 3.27Å; L295-A297 PolarHBondContact O-N 3.24Å; A297-R301 PolarHBondContact O-N 3.36Å
298K91.4Very high91.9Very high81 Ų8142 Ų4235%0.35221%0.213SC..Hα-helixtrans-67.4-45.4175.4-69.4178.9179.9172.90111.4E253 F257 A294 L295 L300 R301 V302E253-K298 IonicContact OE1-NZ 3.76Å; E253-K298 PolarHBondContact OE1-NZ 2.91Å; E253-K298 IonicContact OE2-NZ 2.91Å; E253-K298 PolarHBondContact OE2-NZ 2.98Å; F257-K298 HydrophobicContact CD2-CD 4.42Å; F257-K298 HydrophobicContact CE1-CB 4.33Å; F257-K298 HydrophobicContact CE2-CB 3.71Å; F257-K298 HydrophobicContact CE2-CD 3.94Å; F257-K298 HydrophobicContact CE2-CG 4.45Å; F257-K298 HydrophobicContact CZ-CB 3.48Å; F257-K298 VanDerWaalsContact CZ-CB 3.48Å; A294-K298 PolarHBondContact O-N 3.47Å; L295-K298 PolarHBondContact O-N 3.28Å; L295-K298 VanDerWaalsContact O-N 3.15Å; K298-L300 VanDerWaalsContact C-N 3.28Å; K298-L300 PolarHBondContact O-N 3.1Å; K298-R301 WeakPolarHBondContact O-CB 3.41Å; K298-R301 PolarHBondContact O-N 3.17Å; K298-V302 PolarHBondContact O-N 3.27Å
299L93.3Very high91.7Very high0 Ų046.5 Ų46.50%023%0.234CC..Hα-helixtrans-56.3-42.8175.6177.759.8000111.8F275 L285 I288 L291 L295 Q296 R301 V302 L303 L344F275-L299 HydrophobicContact CE2-CD1 3.95Å; F275-L299 HydrophobicContact CZ-CD1 3.44Å; F275-L299 VanDerWaalsContact CZ-CD1 3.44Å; L285-L299 HydrophobicContact CD1-CD1 4.02Å; L285-L299 HydrophobicContact CD1-CD2 3.94Å; I288-L299 HydrophobicContact CD1-CD2 3.78Å; L291-L299 HydrophobicContact CD1-CD2 4.16Å; L295-L299 WeakPolarHBondContact O-CB 3.45Å; L295-L299 PolarHBondContact O-N 2.83Å; Q296-L299 PolarHBondContact O-N 3.44Å; L299-R301 VanDerWaalsContact C-N 3.3Å; L299-R301 PolarHBondContact O-N 3.14Å; L299-V302 PolarHBondContact O-N 3.36Å; L299-L303 HydrophobicContact CD1-CD1 4.35Å; L299-L303 HydrophobicContact CD1-CG 4.3Å; L299-L303 HydrophobicContact CG-CD1 4.1Å; L299-L303 HydrophobicContact CG-CG 4.48Å; L299-L303 WeakPolarHBondContact O-CG 3.37Å; L299-L303 PolarHBondContact O-N 2.83Å; L299-L344 HydrophobicContact CD2-CD1 4.15Å; L299-L344 HydrophobicContact CD2-CD2 4.14Å; L299-L344 HydrophobicContact CG-CD1 4.11Å
300L93.5Very high91.6Very high11 Ų1148.5 Ų48.56%0.05824%0.24CC..Hα-helixtrans-57.9-41.3175.8-178.365.9000112.3Q296 K298 V302 L303 Q304 D343 L344 R347Q296-L300 WeakPolarHBondContact O-CB 3.27Å; Q296-L300 PolarHBondContact O-N 3.48Å; K298-L300 VanDerWaalsContact C-N 3.28Å; K298-L300 PolarHBondContact O-N 3.1Å; L300-V302 VanDerWaalsContact C-N 3.34Å; L300-V302 PolarHBondContact O-N 3.15Å; L300-L303 PolarHBondContact O-N 3.47Å; L300-Q304 HydrophobicContact CD1-CG 4.14Å; L300-Q304 HydrophobicContact CG-CG 4.36Å; L300-Q304 WeakPolarHBondContact O-CB 3.2Å; L300-Q304 VanDerWaalsContact O-CG 3.28Å; L300-Q304 WeakPolarHBondContact O-CG 3.45Å; L300-Q304 PolarHBondContact O-N 3.37Å; L300-D343 HydrophobicContact CD2-CB 4.07Å; L300-D343 WeakPolarHBondContact CD2-OD2 3.35Å; L300-L344 HydrophobicContact CB-CD1 4.37Å; L300-L344 HydrophobicContact CD1-CD1 4.4Å; L300-R347 HydrophobicContact CD1-CB 4.34Å
301R89.9Confident91.5Very high170 Ų17046.1 Ų46.164%0.64223%0.23SC*.Hα-helixtrans-63.2-41.9178.1-64.6-172.790163.45.6111.4A297 K298 L299 Q304 Y305A297-R301 PolarHBondContact O-N 3.36Å; K298-R301 WeakPolarHBondContact O-CB 3.41Å; K298-R301 PolarHBondContact O-N 3.17Å; L299-R301 VanDerWaalsContact C-N 3.3Å; L299-R301 PolarHBondContact O-N 3.14Å; R301-Q304 PolarHBondContact O-N 2.92Å; R301-Y305 WeakPolarHBondContact O-CD2 3.49Å; R301-Y305 PolarHBondContact O-N 3.15Å
302V91.9Very high91.3Very high10 Ų1048.5 Ų48.56%0.06126%0.258CS..Hα-helixtrans-63.1-47176.2-173.80000110.7F257 F275 K298 L299 L300 Q304 G306 I308 V319F257-V302 HydrophobicContact CD1-CG2 4.35Å; F257-V302 HydrophobicContact CE1-CG2 3.75Å; F275-V302 HydrophobicContact CD1-CG1 3.65Å; F275-V302 HydrophobicContact CD2-CG1 4.47Å; F275-V302 HydrophobicContact CE1-CB 4.36Å; F275-V302 HydrophobicContact CE1-CG1 3.54Å; F275-V302 HydrophobicContact CE2-CG1 4.37Å; F275-V302 HydrophobicContact CE2-CG2 4.47Å; F275-V302 HydrophobicContact CG-CG1 4.15Å; F275-V302 HydrophobicContact CZ-CB 4.28Å; F275-V302 HydrophobicContact CZ-CG1 3.93Å; K298-V302 PolarHBondContact O-N 3.27Å; L299-V302 PolarHBondContact O-N 3.36Å; L300-V302 VanDerWaalsContact C-N 3.34Å; L300-V302 PolarHBondContact O-N 3.15Å; V302-Q304 VanDerWaalsContact C-N 3.25Å; V302-Q304 PolarHBondContact O-N 3.2Å; V302-G306 VanDerWaalsContact O-CA 3.25Å; V302-G306 WeakPolarHBondContact O-CA 3.42Å; V302-G306 PolarHBondContact O-N 2.94Å; V302-I308 HydrophobicContact CB-CG2 4.38Å; V302-I308 HydrophobicContact CG1-CG2 3.7Å; V302-I308 HydrophobicContact CG2-CG2 3.73Å; V302-V319 HydrophobicContact CG1-CG2 4.39Å
303L91.7Very high91.1Very high19 Ų1948.5 Ų48.510%0.09926%0.255CS..Hα-helixtrans-63.7-29.2179.1-72.4174.1000113.6L299 L300 V323 L344 R347 L348L299-L303 HydrophobicContact CD1-CD1 4.35Å; L299-L303 HydrophobicContact CD1-CG 4.3Å; L299-L303 HydrophobicContact CG-CD1 4.1Å; L299-L303 HydrophobicContact CG-CG 4.48Å; L299-L303 WeakPolarHBondContact O-CG 3.37Å; L299-L303 PolarHBondContact O-N 2.83Å; L300-L303 PolarHBondContact O-N 3.47Å; L303-V323 HydrophobicContact CD2-CB 3.79Å; L303-V323 HydrophobicContact CD2-CG1 4.26Å; L303-V323 HydrophobicContact CD2-CG2 3.49Å; L303-V323 VanDerWaalsContact CD2-CG2 3.49Å; L303-L344 HydrophobicContact CD1-CD1 3.58Å; L303-R347 HydrophobicContact CB-CG 4Å; L303-R347 HydrophobicContact CD1-CG 4.25Å; L303-R347 PolarHBondContact O-NE 3.16Å; L303-R347 PolarHBondContact O-NH2 2.95Å; L303-L348 HydrophobicContact CD1-CD2 3.7Å; L303-L348 HydrophobicContact CD1-CG 4.23Å
304Q90Very high90.8Very high76 Ų7651.7 Ų51.736%0.35527%0.273SS..Hα-helixtrans-84.2-44.5-178.8-76.2-179.9-8.900113.2L300 R301 V302L300-Q304 HydrophobicContact CD1-CG 4.14Å; L300-Q304 HydrophobicContact CG-CG 4.36Å; L300-Q304 WeakPolarHBondContact O-CB 3.2Å; L300-Q304 VanDerWaalsContact O-CG 3.28Å; L300-Q304 WeakPolarHBondContact O-CG 3.45Å; L300-Q304 PolarHBondContact O-N 3.37Å; R301-Q304 PolarHBondContact O-N 2.92Å; V302-Q304 VanDerWaalsContact C-N 3.25Å; V302-Q304 PolarHBondContact O-N 3.2Å
305Y90.2Very high90.6Very high136 Ų13658.3 Ų58.353%0.53329%0.286SS..Hα-helixtrans-115.7-15.9-168-56.2-71.6000114.1R301 D307 R318R301-Y305 WeakPolarHBondContact O-CD2 3.49Å; R301-Y305 PolarHBondContact O-N 3.15Å; Y305-D307 PolarHBondContact O-N 2.83Å; Y305-R318 PolarHBondContact O-NH1 3.42Å
306G88.5Confident90.4Very high15 Ų1562.2 Ų62.216%0.15531%0.313CS..  trans75.47.8-17200000113.7V302 R318 V319V302-G306 VanDerWaalsContact O-CA 3.25Å; V302-G306 WeakPolarHBondContact O-CA 3.42Å; V302-G306 PolarHBondContact O-N 2.94Å; G306-R318 CarbonylContact O-C 3.59Å; G306-R318 WeakPolarHBondContact O-CA 3.44Å; G306-V319 PolarHBondContact O-N 2.79Å
307D90.5Very high90.2Very high58 Ų5865.2 Ų65.231%0.3133%0.329SS..EExtended strand (participates in β ladder)trans-97.2124.4-175.4-59.8-30.9000110.7Y305 L317 R318Y305-D307 PolarHBondContact O-N 2.83Å; D307-L317 CarbonylContact C-O 3.58Å; D307-L317 WeakPolarHBondContact CA-O 3.21Å; D307-R318 IonicContact OD1-NH1 3.53Å
308I92.3Very high90.2Very high2 Ų272.6 Ų72.61%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-108.6148.9172.567.1172.8000110.3F275 E276 V302 C316 L317 V319F275-I308 HydrophobicContact CB-CD1 4.31Å; F275-I308 HydrophobicContact CB-CG2 3.84Å; F275-I308 HydrophobicContact CG-CG2 4.11Å; E276-I308 HydrophobicContact CB-CD1 4.03Å; V302-I308 HydrophobicContact CB-CG2 4.38Å; V302-I308 HydrophobicContact CG1-CG2 3.7Å; V302-I308 HydrophobicContact CG2-CG2 3.73Å; I308-C316 CarbonylContact O-C 3.58Å; I308-C316 WeakPolarHBondContact O-CA 3.44Å; I308-L317 HydrophobicContact CD1-CB 4.2Å; I308-L317 HydrophobicContact CD1-CD1 4.36Å; I308-L317 HydrophobicContact CG1-CB 3.7Å; I308-L317 HydrophobicContact CG1-CD1 4.42Å; I308-L317 WeakPolarHBondContact CG1-O 3.42Å; I308-L317 PolarHBondContact N-O 3.32Å; I308-L317 PolarHBondContact O-N 3.07Å; I308-V319 HydrophobicContact CD1-CG1 3.83Å; I308-V319 HydrophobicContact CG1-CG1 4.25Å; I308-V319 HydrophobicContact CG2-CG2 3.82Å
309Q90Very high90.3Very high94 Ų9469.5 Ų69.544%0.43934%0.337SS..EExtended strand (participates in β ladder)trans-129.1124.4174.1-175178.96.200108.2D313Q309-D313 WeakPolarHBondContact CG-O 3.46Å; Q309-D313 PolarHBondContact NE2-O 3.4Å
310R90.5Very high90.3Very high48 Ų4873.3 Ų73.318%0.18136%0.358CS..  trans-68.5147.7176.7-69.7176.9177.9170.9-1.2109.8F257 E276 G312 D313 L317F257-R310 WeakPolarHBondContact O-CG 3.48Å; E276-R310 IonicContact OE1-CZ 3.99Å; E276-R310 IonicContact OE1-NH2 2.79Å; E276-R310 PolarHBondContact OE1-NH2 2.91Å; E276-R310 IonicContact OE2-CZ 3.44Å; E276-R310 IonicContact OE2-NE 3.69Å; E276-R310 PolarHBondContact OE2-NE 3.29Å; E276-R310 IonicContact OE2-NH2 2.74Å; E276-R310 PolarHBondContact OE2-NH2 3.49Å; R310-G312 PolarHBondContact O-N 3.18Å; R310-D313 HydrophobicContact CB-CB 3.95Å; R310-D313 PolarHBondContact O-N 3.39Å; R310-D313 VanDerWaalsContact O-N 3.08Å; R310-L317 HydrophobicContact CG-CD1 4.34Å
311V89.6Confident90.4Very high30 Ų3073.8 Ų73.818%0.18236%0.361CS..BIsolated β-bridgetrans-62.7124.3175.8-169.10000109.1E253 G258 H259 V260 A263E253-V311 HydrophobicContact CB-CG2 4.44Å; E253-V311 HydrophobicContact CG-CG2 3.74Å; E253-V311 WeakPolarHBondContact OE1-CG2 3.25Å; G258-V311 WeakPolarHBondContact O-CG2 3.41Å; G258-V311 PolarHBondContact O-N 2.83Å; H259-V311 HydrophobicContact CB-CB 4.14Å; V260-V311 WeakPolarHBondContact CG2-O 3.4Å; V260-V311 PolarHBondContact N-O 2.81Å; V260-V311 VanDerWaalsContact N-O 3.16Å; A263-V311 HydrophobicContact CB-CB 4.32Å; A263-V311 HydrophobicContact CB-CG1 4.12Å; A263-V311 WeakPolarHBondContact CB-O 3.47Å
312G87.9Confident90.7Very high61 Ų6165.9 Ų65.963%0.62933%0.331SS*.THydrogen-bonded Turntrans81.85.9-178.800000115.3V260 R310V260-G312 VanDerWaalsContact CG2-C 3.48Å; V260-G312 WeakPolarHBondContact CG2-O 3.48Å; R310-G312 PolarHBondContact O-N 3.18Å
313D88.2Confident90.9Very high37 Ų3765.5 Ų65.520%0.19833%0.329CS..  trans-114.5144174-159.5-17.6000109.9V260 Q309 R310 R315V260-D313 HydrophobicContact CG1-CB 3.87Å; V260-D313 HydrophobicContact CG2-CB 4.44Å; Q309-D313 WeakPolarHBondContact CG-O 3.46Å; Q309-D313 PolarHBondContact NE2-O 3.4Å; R310-D313 HydrophobicContact CB-CB 3.95Å; R310-D313 PolarHBondContact O-N 3.39Å; R310-D313 VanDerWaalsContact O-N 3.08Å; D313-R315 WeakPolarHBondContact OD1-CG 3.49Å; D313-R315 PolarHBondContact OD1-N 2.98Å; D313-R315 VanDerWaalsContact OD1-N 3.08Å
314D86Confident91.1Very high150 Ų15064.6 Ų64.680%0.80232%0.324SS*.  trans-93-8.6176.1-68.4-30000112.3
315R88.1Confident91.5Very high189 Ų18961 Ų6171%0.71331%0.307SS*.  trans-79124.3-179.6-64.1176-178.3-174.81.4110.8D313D313-R315 WeakPolarHBondContact OD1-CG 3.49Å; D313-R315 PolarHBondContact OD1-N 2.98Å; D313-R315 VanDerWaalsContact OD1-N 3.08Å
316C88.1Confident91.8Very high86 Ų8654.5 Ų54.558%0.58128%0.282SS*.EExtended strand (participates in β ladder)trans-79134.8165.5-63.80000110.1I308I308-C316 CarbonylContact O-C 3.58Å; I308-C316 WeakPolarHBondContact O-CA 3.44Å
317L90.4Very high92.2Very high63 Ų6353.8 Ų53.833%0.3328%0.275SS..EExtended strand (participates in β ladder)trans-111.6138.9170.2-61.5156.9000107.5D307 I308 R310D307-L317 CarbonylContact C-O 3.58Å; D307-L317 WeakPolarHBondContact CA-O 3.21Å; I308-L317 HydrophobicContact CD1-CB 4.2Å; I308-L317 HydrophobicContact CD1-CD1 4.36Å; I308-L317 HydrophobicContact CG1-CB 3.7Å; I308-L317 HydrophobicContact CG1-CD1 4.42Å; I308-L317 WeakPolarHBondContact CG1-O 3.42Å; I308-L317 PolarHBondContact N-O 3.32Å; I308-L317 PolarHBondContact O-N 3.07Å; R310-L317 HydrophobicContact CG-CD1 4.34Å
318R92.6Very high92.4Very high189 Ų18954.3 Ų54.371%0.71328%0.277SS*.EExtended strand (participates in β ladder)trans-100.1133.6178.2-165.4167175.9108.9-5.4109.5Y305 G306 D307Y305-R318 PolarHBondContact O-NH1 3.42Å; G306-R318 CarbonylContact O-C 3.59Å; G306-R318 WeakPolarHBondContact O-CA 3.44Å; D307-R318 IonicContact OD1-NH1 3.53Å
319V93.4Very high92.4Very high15 Ų1557.8 Ų57.89%0.09129%0.29CS..  trans-131.9149.4-179.4-61.90000110.4D279 V302 G306 I308 V321D279-V319 HydrophobicContact CB-CG1 4.49Å; D279-V319 VanDerWaalsContact OD1-CA 3.29Å; D279-V319 WeakPolarHBondContact OD1-CA 3.13Å; V302-V319 HydrophobicContact CG1-CG2 4.39Å; G306-V319 PolarHBondContact O-N 2.79Å; I308-V319 HydrophobicContact CD1-CG1 3.83Å; I308-V319 HydrophobicContact CG1-CG1 4.25Å; I308-V319 HydrophobicContact CG2-CG2 3.82Å; V319-V321 HydrophobicContact CB-CG2 3.95Å; V319-V321 HydrophobicContact CG2-CG2 3.85Å
320D93.7Very high92.6Very high80 Ų8057.6 Ų57.643%0.42829%0.292SS..  trans-111.994.1172.4176.719.1000110R234 D279 N280R234-D320 IonicContact CZ-OD1 3.3Å; R234-D320 IonicContact CZ-OD2 2.93Å; R234-D320 PolarHBondContact NH1-O 3.03Å; R234-D320 IonicContact NH1-OD1 3.33Å; R234-D320 IonicContact NH1-OD2 3.88Å; R234-D320 VanDerWaalsContact NH2-CG 3.25Å; R234-D320 IonicContact NH2-OD1 3.9Å; R234-D320 PolarHBondContact NH2-OD1 2.91Å; R234-D320 IonicContact NH2-OD2 2.68Å; R234-D320 PolarHBondContact NH2-OD2 3.47Å; D279-D320 PolarHBondContact OD1-N 3.25Å; N280-D320 WeakPolarHBondContact CA-O 3.45Å; N280-D320 PolarHBondContact N-O 3.37Å
321V94.9Very high92.7Very high22 Ų2255.6 Ų55.613%0.13329%0.285CS..  trans-124.4123.1-173.2-1760000110.3F275 A278 L283 V319 V323F275-V321 HydrophobicContact CD1-CB 4.23Å; F275-V321 HydrophobicContact CD1-CG1 4.24Å; F275-V321 HydrophobicContact CD1-CG2 4.14Å; F275-V321 HydrophobicContact CE1-CG1 4.43Å; F275-V321 WeakPolarHBondContact O-CG2 3.3Å; A278-V321 HydrophobicContact CB-CG1 3.81Å; A278-V321 HydrophobicContact CB-CG2 4.26Å; L283-V321 HydrophobicContact CB-CG1 3.57Å; V319-V321 HydrophobicContact CB-CG2 3.95Å; V319-V321 HydrophobicContact CG2-CG2 3.85Å; V321-V323 HydrophobicContact CG1-CG2 4.42Å
322R95.6Very high92.9Very high4 Ų459.3 Ų59.32%0.01530%0.3CS..EExtended strand (participates in β ladder)trans-74.7133.2166.3-175179.7-179.6179.75.7109.7V204 A205 S207 L209 S232 G281 T282 L283V204-R322 PolarHBondContact O-NH2 2.93Å; A205-R322 PolarHBondContact O-NH1 2.88Å; A205-R322 VanDerWaalsContact O-NH1 3.1Å; S207-R322 PolarHBondContact O-NH1 2.97Å; S207-R322 PolarHBondContact O-NH2 3.4Å; L209-R322 PolarHBondContact O-NE 3.22Å; L209-R322 PolarHBondContact O-NH2 3.27Å; S232-R322 VanDerWaalsContact CB-NH1 3.31Å; G281-R322 PolarHBondContact O-N 3.01Å; T282-R322 CarbonylContact C-O 3.49Å; T282-R322 VanDerWaalsContact CA-O 3.3Å; T282-R322 WeakPolarHBondContact CA-O 3.48Å; T282-R322 HydrophobicContact CG2-CB 4.43Å; L283-R322 PolarHBondContact N-O 3.42Å
323V96.1Very high93.2Very high1 Ų162.3 Ų62.31%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-110.6126.5-178.9178.50000111.6N210 V211 F275 L285 L303 V321 L348N210-V323 WeakPolarHBondContact CA-O 3.38Å; V211-V323 PolarHBondContact N-O 3.28Å; F275-V323 HydrophobicContact CE1-CG2 4.25Å; L285-V323 HydrophobicContact CD1-CG1 3.82Å; L285-V323 HydrophobicContact CG-CG1 4.42Å; L303-V323 HydrophobicContact CD2-CB 3.79Å; L303-V323 HydrophobicContact CD2-CG1 4.26Å; L303-V323 HydrophobicContact CD2-CG2 3.49Å; L303-V323 VanDerWaalsContact CD2-CG2 3.49Å; V321-V323 HydrophobicContact CG1-CG2 4.42Å; V323-L348 HydrophobicContact CG1-CD2 4.12Å
324L97.7Very high93.6Very high0 Ų061.4 Ų61.40%029%0.292CS..EExtended strand (participates in β ladder)trans-112.7120.7168.8-53.8-180000107.5V211 A225 I228 T282 L283 F284 L285V211-L324 HydrophobicContact CB-CD2 3.63Å; V211-L324 HydrophobicContact CG2-CD2 3.56Å; A225-L324 HydrophobicContact CB-CD1 4.06Å; A225-L324 WeakPolarHBondContact O-CD1 3.36Å; I228-L324 HydrophobicContact CB-CD1 4.18Å; I228-L324 HydrophobicContact CG2-CD1 4.11Å; I228-L324 HydrophobicContact CG2-CD2 4Å; T282-L324 HydrophobicContact CG2-CD1 3.65Å; T282-L324 HydrophobicContact CG2-CG 3.64Å; L283-L324 PolarHBondContact O-N 2.8Å; F284-L324 CarbonylContact C-O 3.41Å; F284-L324 VanDerWaalsContact CA-O 3.28Å; F284-L324 WeakPolarHBondContact CA-O 3.47Å; F284-L324 HydrophobicContact CD2-CB 3.99Å; F284-L324 WeakPolarHBondContact CD2-O 3.2Å; L285-L324 PolarHBondContact N-O 3.38Å
325A97.2Very high94Very high0 Ų056 Ų560%027%0.265CS..EExtended strand (participates in β ladder)trans-110.9143.8179.200000110.4V211 L212 I213 L285 I288 L348V211-A325 PolarHBondContact O-N 2.89Å; L212-A325 CarbonylContact C-O 3.54Å; L212-A325 WeakPolarHBondContact CA-O 3.18Å; L212-A325 HydrophobicContact CD1-CB 4.13Å; I213-A325 PolarHBondContact N-O 3.45Å; L285-A325 CarbonylContact O-C 3.56Å; L285-A325 WeakPolarHBondContact O-CA 3.43Å; I288-A325 HydrophobicContact CB-CB 4.31Å; I288-A325 HydrophobicContact CG1-CB 4.43Å; I288-A325 HydrophobicContact CG2-CB 4.26Å; A325-L348 HydrophobicContact CB-CD1 4.33Å; A325-L348 HydrophobicContact CB-CD2 4.13Å
326A97.2Very high94.4Very high0 Ų053.3 Ų53.30%026%0.264CS..EExtended strand (participates in β ladder)trans-126.9148.8174.200000111.8I213 K221 F284 L285 E287 I288I213-A326 HydrophobicContact CB-CB 4.28Å; I213-A326 VanDerWaalsContact O-CA 3.25Å; I213-A326 WeakPolarHBondContact O-CA 3.39Å; K221-A326 HydrophobicContact CB-CB 4.14Å; K221-A326 HydrophobicContact CD-CB 4.02Å; F284-A326 HydrophobicContact CE2-CB 3.57Å; F284-A326 HydrophobicContact CZ-CB 3.57Å; L285-A326 PolarHBondContact O-N 3.16Å; E287-A326 WeakPolarHBondContact CA-O 3.18Å; E287-A326 PolarHBondContact N-O 3.14Å; I288-A326 PolarHBondContact N-O 3.19Å
327T95.9Very high94.8Very high1 Ų151.7 Ų51.71%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-151.7147.3179.2-1780000111.3L212 I213 G215 R329 L331L212-T327 HydrophobicContact CD1-CG2 4.13Å; I213-T327 PolarHBondContact O-N 3.32Å; I213-T327 VanDerWaalsContact O-N 3.1Å; G215-T327 PolarHBondContact N-O 3.29Å; T327-R329 WeakPolarHBondContact CG2-O 3.33Å; T327-R329 PolarHBondContact OG1-N 3.45Å; T327-R329 PolarHBondContact OG1-O 3.39Å; T327-L331 HydrophobicContact CG2-CD1 4.11Å; T327-L331 HydrophobicContact CG2-CD2 4.49Å; T327-L331 HydrophobicContact CG2-CG 4Å
328N94.1Very high95Very high69 Ų6951 Ų5137%0.36926%0.264SS..SBendtrans-97.6-9.4164.869.731.6000113.9G215 E287G215-N328 WeakPolarHBondContact O-CA 3.4Å; E287-N328 PolarHBondContact OE1-ND2 2.81Å; E287-N328 PolarHBondContact OE2-N 3.01Å; E287-N328 PolarHBondContact OE2-ND2 3.21Å; E287-N328 VanDerWaalsContact OE2-ND2 3.07Å
329R93.1Very high95.1Very high75 Ų7548.2 Ų48.228%0.28325%0.254SS..SBendtrans-91151.7179.1-58.1-173.4178.4-165.3-2.9111.3E290 T327 L331 E334E290-R329 IonicContact OE1-CZ 2.7Å; E290-R329 IonicContact OE1-NE 2.95Å; E290-R329 PolarHBondContact OE1-NE 3.01Å; E290-R329 IonicContact OE1-NH2 3.72Å; E290-R329 PolarHBondContact OE1-NH2 3.48Å; E290-R329 IonicContact OE2-CZ 2.79Å; E290-R329 IonicContact OE2-NH2 3.64Å; E290-R329 PolarHBondContact OE2-NH2 2.83Å; T327-R329 WeakPolarHBondContact CG2-O 3.33Å; T327-R329 PolarHBondContact OG1-N 3.45Å; T327-R329 PolarHBondContact OG1-O 3.39Å; R329-L331 PolarHBondContact O-N 3.32Å; R329-E334 HydrophobicContact CB-CG 4.18Å; R329-E334 IonicContact NH1-OE1 2.83Å; R329-E334 IonicContact NH1-OE2 3.22Å; R329-E334 PolarHBondContact NH1-OE2 3.06Å; R329-E334 VanDerWaalsContact NH1-OE2 3.16Å
330D93.7Very high95.2Very high90 Ų9047.8 Ų47.848%0.48125%0.251SS..  trans-74.1102.2165.4-170.6-27.1000109.6H332 E333 E334D330-H332 PolarHBondContact O-N 2.69Å; D330-H332 WeakPolarHBondContact OD1-CA 3.33Å; D330-H332 WeakPolarHBondContact OD1-CB 3.28Å; D330-H332 PolarHBondContact OD1-N 3.06Å; D330-E333 HydrophobicContact CB-CB 4.17Å; D330-E333 HydrophobicContact CB-CG 4.07Å; D330-E333 PolarHBondContact O-N 2.92Å; D330-E333 PolarHBondContact OD1-N 2.85Å; D330-E334 WeakPolarHBondContact O-CG 3.33Å; D330-E334 PolarHBondContact O-N 3.26Å
331L93.6Very high95.3Very high6 Ų648.4 Ų48.43%0.03125%0.247CC..Hα-helixtrans-64.9-24.2-179.9-64.8-176.2000112.8L212 I288 T327 R329 E334 V335 F340 F345L212-L331 HydrophobicContact CD1-CD1 3.85Å; L212-L331 HydrophobicContact CD2-CD1 3.9Å; I288-L331 HydrophobicContact CG2-CD1 4.12Å; T327-L331 HydrophobicContact CG2-CD1 4.11Å; T327-L331 HydrophobicContact CG2-CD2 4.49Å; T327-L331 HydrophobicContact CG2-CG 4Å; R329-L331 PolarHBondContact O-N 3.32Å; L331-E334 PolarHBondContact O-N 3.02Å; L331-V335 WeakPolarHBondContact O-CB 3.14Å; L331-V335 VanDerWaalsContact O-CG2 3.23Å; L331-V335 WeakPolarHBondContact O-CG2 3.46Å; L331-V335 PolarHBondContact O-N 2.87Å; L331-F340 HydrophobicContact CD1-CE1 4.47Å; L331-F340 HydrophobicContact CD1-CZ 4.36Å; L331-F340 HydrophobicContact CD2-CD2 4.05Å; L331-F340 HydrophobicContact CD2-CE2 4.16Å; L331-F340 HydrophobicContact CD2-CG 4.32Å; L331-F345 HydrophobicContact CB-CD2 3.72Å; L331-F345 HydrophobicContact CB-CE2 3.9Å; L331-F345 HydrophobicContact CD1-CD2 4.12Å
332H92.7Very high95.3Very high108 Ų10849.6 Ų49.650%0.526%0.259SS..Hα-helixtrans-66.4-44.7174.4-173.4-77.2000110.3D330 V335 L336D330-H332 PolarHBondContact O-N 2.69Å; D330-H332 WeakPolarHBondContact OD1-CA 3.33Å; D330-H332 WeakPolarHBondContact OD1-CB 3.28Å; D330-H332 PolarHBondContact OD1-N 3.06Å; H332-V335 PolarHBondContact O-N 2.84Å; H332-L336 WeakPolarHBondContact O-CG 3.34Å; H332-L336 PolarHBondContact O-N 3.26Å
333E95.6Very high95.3Very high124 Ų12452.3 Ų52.358%0.57927%0.274SS*.Hα-helixtrans-64.9-39.5173.7-66.3-165.8156.200112.4D330 V335 L336 A337D330-E333 HydrophobicContact CB-CB 4.17Å; D330-E333 HydrophobicContact CB-CG 4.07Å; D330-E333 PolarHBondContact O-N 2.92Å; D330-E333 PolarHBondContact OD1-N 2.85Å; E333-V335 VanDerWaalsContact C-N 3.3Å; E333-V335 PolarHBondContact O-N 3.09Å; E333-L336 PolarHBondContact O-N 3.18Å; E333-A337 WeakPolarHBondContact O-CB 3.34Å; E333-A337 PolarHBondContact O-N 2.86Å
334E95.8Very high95.3Very high17 Ų1752.3 Ų52.38%0.07927%0.274CS..Hα-helixtrans-64.5-34.2176.7-65.2-64.7123.500112.5R329 D330 L331 A337 G338 R339 F340R329-E334 HydrophobicContact CB-CG 4.18Å; R329-E334 IonicContact NH1-OE1 2.83Å; R329-E334 IonicContact NH1-OE2 3.22Å; R329-E334 PolarHBondContact NH1-OE2 3.06Å; R329-E334 VanDerWaalsContact NH1-OE2 3.16Å; D330-E334 WeakPolarHBondContact O-CG 3.33Å; D330-E334 PolarHBondContact O-N 3.26Å; L331-E334 PolarHBondContact O-N 3.02Å; E334-A337 PolarHBondContact O-N 2.99Å; E334-G338 PolarHBondContact O-N 3.12Å; E334-R339 PolarHBondContact O-N 3.45Å; E334-R339 IonicContact OE1-CZ 3.59Å; E334-R339 IonicContact OE1-NE 2.68Å; E334-R339 PolarHBondContact OE1-NE 2.96Å; E334-R339 IonicContact OE1-NH2 2.87Å; E334-R339 PolarHBondContact OE1-NH2 2.88Å; E334-R339 WeakPolarHBondContact OE2-CB 3.45Å; E334-R339 IonicContact OE2-CZ 3.69Å; E334-R339 IonicContact OE2-NE 3.31Å; E334-R339 PolarHBondContact OE2-NE 3.19Å; E334-R339 IonicContact OE2-NH2 2.89Å; E334-F340 HydrophobicContact CB-CB 3.81Å; E334-F340 PolarHBondContact O-N 2.96Å; E334-F340 VanDerWaalsContact O-N 3.1Å
335V95.6Very high95.2Very high36 Ų3654 Ų5422%0.21828%0.282CS..Hα-helixtrans-66.1-47.7172.3168.80000110.7L331 H332 E333 A337 G338 F340 A342 F345L331-V335 WeakPolarHBondContact O-CB 3.14Å; L331-V335 VanDerWaalsContact O-CG2 3.23Å; L331-V335 WeakPolarHBondContact O-CG2 3.46Å; L331-V335 PolarHBondContact O-N 2.87Å; H332-V335 PolarHBondContact O-N 2.84Å; E333-V335 VanDerWaalsContact C-N 3.3Å; E333-V335 PolarHBondContact O-N 3.09Å; V335-A337 PolarHBondContact O-N 3.32Å; V335-G338 PolarHBondContact O-N 3.32Å; V335-F340 WeakPolarHBondContact CA-O 3.28Å; V335-F340 HydrophobicContact CG2-CB 4.02Å; V335-F340 HydrophobicContact CG2-CD1 4.02Å; V335-A342 HydrophobicContact CG1-CB 3.82Å; V335-F345 HydrophobicContact CG2-CB 3.99Å; V335-F345 HydrophobicContact CG2-CG 4.32Å
336L95.3Very high95.1Very high134 Ų13460.4 Ų60.470%0.70231%0.311SS*.Hα-helixtrans-60.6-34.2177.2-69.9175.3000112.2H332 E333 G338H332-L336 WeakPolarHBondContact O-CG 3.34Å; H332-L336 PolarHBondContact O-N 3.26Å; E333-L336 PolarHBondContact O-N 3.18Å; L336-G338 VanDerWaalsContact C-N 3.25Å; L336-G338 PolarHBondContact O-N 3.13Å
337A96.1Very high94.9Very high52 Ų5265.1 Ų65.143%0.4333%0.329SS..THydrogen-bonded Turntrans-80.6-0.2176.400000114.2E333 E334 V335 R339E333-A337 WeakPolarHBondContact O-CB 3.34Å; E333-A337 PolarHBondContact O-N 2.86Å; E334-A337 PolarHBondContact O-N 2.99Å; V335-A337 PolarHBondContact O-N 3.32Å; A337-R339 VanDerWaalsContact CB-NH1 3.33Å; A337-R339 PolarHBondContact O-N 3.23Å
338G94.4Very high94.8Very high47 Ų4765 Ų6549%0.48533%0.328SS..THydrogen-bonded Turntrans70.314.7-18000000114.7E334 V335 L336E334-G338 PolarHBondContact O-N 3.12Å; V335-G338 PolarHBondContact O-N 3.32Å; L336-G338 VanDerWaalsContact C-N 3.25Å; L336-G338 PolarHBondContact O-N 3.13Å
339R94.7Very high94.7Very high131 Ų13163.3 Ų63.349%0.49432%0.322SS..SBendtrans-92-17.2178.1-66-169.3-65-91.10.6112.8L293 Q296 E334 A337L293-R339 WeakPolarHBondContact CD2-O 3.41Å; Q296-R339 PolarHBondContact NE2-O 3.01Å; E334-R339 PolarHBondContact O-N 3.45Å; E334-R339 IonicContact OE1-CZ 3.59Å; E334-R339 IonicContact OE1-NE 2.68Å; E334-R339 PolarHBondContact OE1-NE 2.96Å; E334-R339 IonicContact OE1-NH2 2.87Å; E334-R339 PolarHBondContact OE1-NH2 2.88Å; E334-R339 WeakPolarHBondContact OE2-CB 3.45Å; E334-R339 IonicContact OE2-CZ 3.69Å; E334-R339 IonicContact OE2-NE 3.31Å; E334-R339 PolarHBondContact OE2-NE 3.19Å; E334-R339 IonicContact OE2-NH2 2.89Å; A337-R339 VanDerWaalsContact CB-NH1 3.33Å; A337-R339 PolarHBondContact O-N 3.23Å
340F96.2Very high94.8Very high6 Ų663.2 Ų63.23%0.02633%0.329CS..SBendtrans-129.1140.9175.2-156-90.8000110.9I288 Q296 L331 E334 V335 L344 F345 L348I288-F340 HydrophobicContact CG1-CE2 4.34Å; I288-F340 HydrophobicContact CG1-CZ 4.37Å; Q296-F340 HydrophobicContact CG-CE2 4.35Å; L331-F340 HydrophobicContact CD1-CE1 4.47Å; L331-F340 HydrophobicContact CD1-CZ 4.36Å; L331-F340 HydrophobicContact CD2-CD2 4.05Å; L331-F340 HydrophobicContact CD2-CE2 4.16Å; L331-F340 HydrophobicContact CD2-CG 4.32Å; E334-F340 HydrophobicContact CB-CB 3.81Å; E334-F340 PolarHBondContact O-N 2.96Å; E334-F340 VanDerWaalsContact O-N 3.1Å; V335-F340 WeakPolarHBondContact CA-O 3.28Å; V335-F340 HydrophobicContact CG2-CB 4.02Å; V335-F340 HydrophobicContact CG2-CD1 4.02Å; F340-L344 HydrophobicContact CE1-CB 4.14Å; F340-L344 HydrophobicContact CE1-CD2 4.04Å; F340-L344 HydrophobicContact CE1-CG 3.99Å; F340-L344 HydrophobicContact CE2-CD2 4.34Å; F340-L344 HydrophobicContact CZ-CD2 3.66Å; F340-L344 HydrophobicContact CZ-CG 3.97Å; F340-F345 HydrophobicContact CD1-CB 3.98Å; F340-F345 HydrophobicContact CE1-CB 3.9Å; F340-L348 HydrophobicContact CZ-CD1 4.14Å
341R95.9Very high94.9Very high94 Ų9461.2 Ų61.236%0.35532%0.317SS..  trans-78.8131.7-180-58.2175.55997.40.9111.1L293 Q296 D343 L344 F345L293-R341 HydrophobicContact CD2-CG 3.93Å; Q296-R341 HydrophobicContact CB-CG 4.31Å; R341-D343 VanDerWaalsContact C-N 3.33Å; R341-D343 WeakPolarHBondContact CB-OD1 3.13Å; R341-D343 IonicContact CZ-OD1 2.67Å; R341-D343 IonicContact CZ-OD2 2.83Å; R341-D343 IonicContact NE-OD1 2.81Å; R341-D343 PolarHBondContact NE-OD1 2.68Å; R341-D343 IonicContact NE-OD2 3.25Å; R341-D343 PolarHBondContact NE-OD2 3.31Å; R341-D343 IonicContact NH2-OD1 3.66Å; R341-D343 IonicContact NH2-OD2 3.18Å; R341-D343 PolarHBondContact NH2-OD2 2.75Å; R341-D343 PolarHBondContact O-N 3.18Å; R341-L344 HydrophobicContact CB-CB 4.28Å; R341-L344 PolarHBondContact O-N 3.15Å; R341-F345 PolarHBondContact O-N 2.79Å
342A95.6Very high95Very high46 Ų4664.7 Ų64.738%0.3834%0.339SS..Hα-helixtrans-61.1-39.4179.200000112.9V335 F345 H346V335-A342 HydrophobicContact CG1-CB 3.82Å; A342-F345 WeakPolarHBondContact O-CB 3.46Å; A342-F345 PolarHBondContact O-N 2.96Å; A342-H346 PolarHBondContact O-CD2 2.93Å; A342-H346 PolarHBondContact O-N 3.37Å
343D95.2Very high95.2Very high62 Ų6259.7 Ų59.733%0.33232%0.316SS..Hα-helixtrans-63.8-41.7179.853.16.3000112.8L300 R341 R347L300-D343 HydrophobicContact CD2-CB 4.07Å; L300-D343 WeakPolarHBondContact CD2-OD2 3.35Å; R341-D343 VanDerWaalsContact C-N 3.33Å; R341-D343 WeakPolarHBondContact CB-OD1 3.13Å; R341-D343 IonicContact CZ-OD1 2.67Å; R341-D343 IonicContact CZ-OD2 2.83Å; R341-D343 IonicContact NE-OD1 2.81Å; R341-D343 PolarHBondContact NE-OD1 2.68Å; R341-D343 IonicContact NE-OD2 3.25Å; R341-D343 PolarHBondContact NE-OD2 3.31Å; R341-D343 IonicContact NH2-OD1 3.66Å; R341-D343 IonicContact NH2-OD2 3.18Å; R341-D343 PolarHBondContact NH2-OD2 2.75Å; R341-D343 PolarHBondContact O-N 3.18Å; D343-R347 PolarHBondContact O-N 3.23Å
344L95.5Very high95.2Very high0 Ų057.8 Ų57.80%032%0.316CS..Hα-helixtrans-66.2-42.8173.5-178.661.5000111.6Q296 L299 L300 L303 F340 R341 H346 R347 L348Q296-L344 HydrophobicContact CB-CD2 3.57Å; Q296-L344 HydrophobicContact CG-CD2 3.7Å; L299-L344 HydrophobicContact CD2-CD1 4.15Å; L299-L344 HydrophobicContact CD2-CD2 4.14Å; L299-L344 HydrophobicContact CG-CD1 4.11Å; L300-L344 HydrophobicContact CB-CD1 4.37Å; L300-L344 HydrophobicContact CD1-CD1 4.4Å; L303-L344 HydrophobicContact CD1-CD1 3.58Å; F340-L344 HydrophobicContact CE1-CB 4.14Å; F340-L344 HydrophobicContact CE1-CD2 4.04Å; F340-L344 HydrophobicContact CE1-CG 3.99Å; F340-L344 HydrophobicContact CE2-CD2 4.34Å; F340-L344 HydrophobicContact CZ-CD2 3.66Å; F340-L344 HydrophobicContact CZ-CG 3.97Å; R341-L344 HydrophobicContact CB-CB 4.28Å; R341-L344 PolarHBondContact O-N 3.15Å; L344-H346 PolarHBondContact O-N 3.36Å; L344-R347 PolarHBondContact O-N 3.35Å; L344-R347 VanDerWaalsContact O-N 3.12Å; L344-L348 HydrophobicContact CD1-CD1 3.98Å; L344-L348 HydrophobicContact CD1-CG 4.04Å; L344-L348 HydrophobicContact CD2-CD1 4.43Å; L344-L348 HydrophobicContact CG-CD1 3.88Å; L344-L348 HydrophobicContact CG-CG 4.33Å; L344-L348 WeakPolarHBondContact O-CG 3.46Å; L344-L348 PolarHBondContact O-N 3.09Å
345F95.6Very high95.2Very high37 Ų3757.1 Ų57.116%0.16231%0.314CS..Hα-helixtrans-56.8-48.9177.7170.1-110.9000111.4L212 L331 V335 F340 R341 A342 R347 L348 S349L212-F345 HydrophobicContact CD2-CE2 4.14Å; L331-F345 HydrophobicContact CB-CD2 3.72Å; L331-F345 HydrophobicContact CB-CE2 3.9Å; L331-F345 HydrophobicContact CD1-CD2 4.12Å; V335-F345 HydrophobicContact CG2-CB 3.99Å; V335-F345 HydrophobicContact CG2-CG 4.32Å; F340-F345 HydrophobicContact CD1-CB 3.98Å; F340-F345 HydrophobicContact CE1-CB 3.9Å; R341-F345 PolarHBondContact O-N 2.79Å; A342-F345 WeakPolarHBondContact O-CB 3.46Å; A342-F345 PolarHBondContact O-N 2.96Å; F345-R347 VanDerWaalsContact C-N 3.27Å; F345-R347 PolarHBondContact O-N 3.22Å; F345-L348 PolarHBondContact O-N 2.87Å; F345-S349 WeakPolarHBondContact O-CB 3.42Å; F345-S349 PolarHBondContact O-N 3.31Å
346H94.6Very high95.2Very high134 Ų13456.3 Ų56.362%0.6231%0.309SS*.Hα-helixtrans-62.7-31.5177.6-71.7-61000113.5A342 L344A342-H346 PolarHBondContact O-CD2 2.93Å; A342-H346 PolarHBondContact O-N 3.37Å; L344-H346 PolarHBondContact O-N 3.36Å
347R93.6Very high95.3Very high98 Ų9850.5 Ų50.537%0.3728%0.279SS..Hα-helixtrans-78.7-26.7179.2-168.463.4173.3-132.53.1113.4N210 L300 L303 D343 L344 F345 V350N210-R347 PolarHBondContact ND2-O 2.97Å; L300-R347 HydrophobicContact CD1-CB 4.34Å; L303-R347 HydrophobicContact CB-CG 4Å; L303-R347 HydrophobicContact CD1-CG 4.25Å; L303-R347 PolarHBondContact O-NE 3.16Å; L303-R347 PolarHBondContact O-NH2 2.95Å; D343-R347 PolarHBondContact O-N 3.23Å; L344-R347 PolarHBondContact O-N 3.35Å; L344-R347 VanDerWaalsContact O-N 3.12Å; F345-R347 VanDerWaalsContact C-N 3.27Å; F345-R347 PolarHBondContact O-N 3.22Å; R347-V350 WeakPolarHBondContact O-CG2 3.5Å
348L94.2Very high95.3Very high0 Ų048.2 Ų48.20%026%0.26CS..Hα-helixtrans-86.6-39.4175.8-70.1175.6000111.9I288 L303 V323 A325 F340 L344 F345 V350I288-L348 HydrophobicContact CG1-CD1 4Å; L303-L348 HydrophobicContact CD1-CD2 3.7Å; L303-L348 HydrophobicContact CD1-CG 4.23Å; V323-L348 HydrophobicContact CG1-CD2 4.12Å; A325-L348 HydrophobicContact CB-CD1 4.33Å; A325-L348 HydrophobicContact CB-CD2 4.13Å; F340-L348 HydrophobicContact CZ-CD1 4.14Å; L344-L348 HydrophobicContact CD1-CD1 3.98Å; L344-L348 HydrophobicContact CD1-CG 4.04Å; L344-L348 HydrophobicContact CD2-CD1 4.43Å; L344-L348 HydrophobicContact CG-CD1 3.88Å; L344-L348 HydrophobicContact CG-CG 4.33Å; L344-L348 WeakPolarHBondContact O-CG 3.46Å; L344-L348 PolarHBondContact O-N 3.09Å; F345-L348 PolarHBondContact O-N 2.87Å; L348-V350 PolarHBondContact O-N 2.86Å
349S92.7Very high95.3Very high33 Ų3351.7 Ų51.723%0.23126%0.259CS..THydrogen-bonded Turntrans-81.834.6-176.5-166.90000113.4F345F345-S349 WeakPolarHBondContact O-CB 3.42Å; F345-S349 PolarHBondContact O-N 3.31Å
350V93.9Very high95.3Very high73 Ų7351.5 Ų51.544%0.44226%0.263SS..THydrogen-bonded Turntrans-69.4-43177.51780000110L209 R347 L348L209-V350 HydrophobicContact CB-CG1 4.38Å; L209-V350 HydrophobicContact CD1-CG1 4.37Å; L209-V350 HydrophobicContact CD2-CG1 3.95Å; L209-V350 HydrophobicContact CG-CG1 4.46Å; R347-V350 WeakPolarHBondContact O-CG2 3.5Å; L348-V350 PolarHBondContact O-N 2.86Å
351F95.8Very high95.2Very high48 Ų4851.7 Ų51.721%0.21126%0.264CS..EExtended strand (participates in β ladder)trans-127.197.4169.9-160-81.6000109.6E200 V204 N210 V211 L212 L353E200-F351 HydrophobicContact CB-CE1 4.38Å; V204-F351 HydrophobicContact CB-CD1 3.77Å; V204-F351 HydrophobicContact CB-CD2 4.29Å; V204-F351 HydrophobicContact CB-CE1 3.73Å; V204-F351 HydrophobicContact CB-CE2 4.25Å; V204-F351 HydrophobicContact CB-CG 4.05Å; V204-F351 HydrophobicContact CB-CZ 3.98Å; V204-F351 HydrophobicContact CG1-CD1 4.26Å; V204-F351 HydrophobicContact CG1-CE1 4.21Å; V204-F351 HydrophobicContact CG2-CB 3.79Å; V204-F351 HydrophobicContact CG2-CD1 3.57Å; V204-F351 HydrophobicContact CG2-CD2 3.87Å; V204-F351 HydrophobicContact CG2-CE1 4.06Å; V204-F351 HydrophobicContact CG2-CE2 4.34Å; V204-F351 HydrophobicContact CG2-CG 3.45Å; V204-F351 VanDerWaalsContact CG2-CG 3.45Å; V204-F351 HydrophobicContact CG2-CZ 4.42Å; N210-F351 PolarHBondContact O-N 3.12Å; V211-F351 WeakPolarHBondContact CA-O 3.28Å; V211-F351 HydrophobicContact CG1-CD1 4.49Å; V211-F351 WeakPolarHBondContact CG1-O 3.48Å; L212-F351 PolarHBondContact N-O 3.19Å; F351-L353 HydrophobicContact CD1-CD2 4.13Å; F351-L353 HydrophobicContact CD1-CG 4.05Å; F351-L353 HydrophobicContact CE1-CD2 3.61Å; F351-L353 HydrophobicContact CE1-CG 4.04Å
352P95.7Very high94.8Very high79 Ų7949.5 Ų49.551%0.51327%0.27SS..EExtended strand (participates in β ladder)trans-78.1132.4176.330.9-32.5000110.7L212L212-P352 CarbonylContact O-C 3.54Å; L212-P352 WeakPolarHBondContact O-CA 3.44Å
353L96.9Very high94.6Very high3 Ų351.1 Ų51.12%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-117.1134.1168.9-75.1-178.3000109.3L197 E200 I201 V204 V211 L212 I213 S214 V224 I228 F351L197-L353 HydrophobicContact CD1-CB 4.43Å; L197-L353 HydrophobicContact CD1-CD1 4.49Å; L197-L353 HydrophobicContact CD1-CD2 4.16Å; E200-L353 HydrophobicContact CB-CD2 3.53Å; E200-L353 HydrophobicContact CG-CD2 4.48Å; E200-L353 WeakPolarHBondContact OE2-CD2 3.45Å; I201-L353 HydrophobicContact CG1-CD1 4.01Å; V204-L353 HydrophobicContact CG1-CD1 4.36Å; V211-L353 HydrophobicContact CG1-CB 4.36Å; V211-L353 HydrophobicContact CG1-CD1 3.69Å; V211-L353 HydrophobicContact CG1-CG 3.86Å; L212-L353 PolarHBondContact O-N 3.11Å; I213-L353 CarbonylContact C-O 3.58Å; I213-L353 WeakPolarHBondContact CA-O 3.45Å; S214-L353 PolarHBondContact N-O 3.39Å; V224-L353 HydrophobicContact CG1-CD1 4.11Å; I228-L353 HydrophobicContact CD1-CD1 3.62Å; I228-L353 HydrophobicContact CG1-CD1 4.46Å; F351-L353 HydrophobicContact CD1-CD2 4.13Å; F351-L353 HydrophobicContact CD1-CG 4.05Å; F351-L353 HydrophobicContact CE1-CD2 3.61Å; F351-L353 HydrophobicContact CE1-CG 4.04Å
354S95.5Very high94.6Very high83 Ų8348.3 Ų48.358%0.5826%0.258SS*.EExtended strand (participates in β ladder)trans-111.4123.5175.5-1710000110.5P356S354-P356 WeakPolarHBondContact O-CD 3.2Å
355V97Very high94.6Very high3 Ų348.6 Ų48.62%0.01826%0.259CS..  trans-94.1111.7177.3-173.40000108.7L197 I213 S214 K221 V224 R361L197-V355 HydrophobicContact CD2-CG1 4.29Å; L197-V355 HydrophobicContact CD2-CG2 4.3Å; I213-V355 HydrophobicContact CG2-CG2 3.61Å; S214-V355 PolarHBondContact O-N 3.02Å; K221-V355 HydrophobicContact CG-CG2 4.31Å; V224-V355 HydrophobicContact CG2-CG2 3.88Å; V355-R361 VanDerWaalsContact CG1-NH2 3.25Å
356P95.7Very high94.6Very high19 Ų1946.9 Ų46.912%0.12325%0.252CS..  trans-65.2141-174.425-32.9000110.7M194 S354 R361M194-P356 HydrophobicContact SD-CG 4.46Å; S354-P356 WeakPolarHBondContact O-CD 3.2Å; P356-R361 HydrophobicContact CB-CG 4.43Å; P356-R361 HydrophobicContact CG-CG 4.24Å; P356-R361 PolarHBondContact O-NE 3.5Å; P356-R361 PolarHBondContact O-NH2 3.44Å
357P96.6Very high94.6Very high12 Ų1241.2 Ų41.28%0.07823%0.226CC..  trans-65.1154173.329.9-35.5000110.7R359 E360 R361 N403P357-R359 HydrophobicContact CB-CG 4.28Å; P357-R359 HydrophobicContact CG-CG 4.21Å; P357-R359 PolarHBondContact O-N 3.36Å; P357-R359 VanDerWaalsContact O-N 3.16Å; P357-E360 WeakPolarHBondContact CD-OE2 3.37Å; P357-E360 HydrophobicContact CG-CB 4.27Å; P357-E360 VanDerWaalsContact CG-CD 3.44Å; P357-E360 HydrophobicContact CG-CG 3.99Å; P357-E360 VanDerWaalsContact CG-OE1 3.28Å; P357-E360 WeakPolarHBondContact CG-OE1 3.29Å; P357-E360 PolarHBondContact O-N 2.92Å; P357-R361 WeakPolarHBondContact O-CG 3.23Å; P357-N403 WeakPolarHBondContact CA-OD1 3.16Å; P357-N403 WeakPolarHBondContact CB-OD1 3.4Å
358L96.2Very high94.8Very high4 Ų437.1 Ų37.12%0.02121%0.211CC..G310 helixtrans-59.1-35-171-176.957000112.8E360 R361 V365 L368 F400 N403 L407L358-E360 PolarHBondContact O-N 3.13Å; L358-R361 HydrophobicContact CD1-CB 4.48Å; L358-R361 WeakPolarHBondContact O-CB 3.39Å; L358-R361 PolarHBondContact O-N 3.43Å; L358-V365 HydrophobicContact CD1-CB 4.32Å; L358-V365 HydrophobicContact CD2-CG2 4.38Å; L358-L368 HydrophobicContact CD1-CD1 3.67Å; L358-F400 HydrophobicContact CB-CB 4.48Å; L358-F400 HydrophobicContact CD2-CB 3.93Å; L358-F400 HydrophobicContact CD2-CD1 4.37Å; L358-F400 HydrophobicContact CD2-CD2 3.86Å; L358-F400 HydrophobicContact CD2-CE2 4.48Å; L358-F400 HydrophobicContact CD2-CG 3.8Å; L358-F400 HydrophobicContact CG-CD2 4.4Å; L358-N403 HydrophobicContact CB-CB 4.35Å; L358-N403 PolarHBondContact N-OD1 2.91Å; L358-L407 HydrophobicContact CD2-CB 4.16Å; L358-L407 HydrophobicContact CD2-CD2 4.06Å
359R94.5Very high94.9Very high121 Ų12137.1 Ų37.146%0.45721%0.211SC..G310 helixtrans-60.2-24.7175.966.6-173.8179.8-92.9-3.7114.5E216 P357E216-R359 VanDerWaalsContact CD-NH1 3.26Å; E216-R359 IonicContact OE1-CZ 3.52Å; E216-R359 IonicContact OE1-NH1 2.79Å; E216-R359 PolarHBondContact OE1-NH1 2.91Å; E216-R359 IonicContact OE1-NH2 3.36Å; E216-R359 PolarHBondContact OE1-NH2 3.15Å; E216-R359 IonicContact OE2-CZ 3.48Å; E216-R359 IonicContact OE2-NH1 3.52Å; E216-R359 PolarHBondContact OE2-NH1 2.95Å; P357-R359 HydrophobicContact CB-CG 4.28Å; P357-R359 HydrophobicContact CG-CG 4.21Å; P357-R359 PolarHBondContact O-N 3.36Å; P357-R359 VanDerWaalsContact O-N 3.16Å
360E94Very high95Very high126 Ų12635.5 Ų35.559%0.58920%0.2SC*.G310 helixtrans-91.5-6.3177.8-72167.8-149.400112.2P357 L358P357-E360 WeakPolarHBondContact CD-OE2 3.37Å; P357-E360 HydrophobicContact CG-CB 4.27Å; P357-E360 VanDerWaalsContact CG-CD 3.44Å; P357-E360 HydrophobicContact CG-CG 3.99Å; P357-E360 VanDerWaalsContact CG-OE1 3.28Å; P357-E360 WeakPolarHBondContact CG-OE1 3.29Å; P357-E360 PolarHBondContact O-N 2.92Å; L358-E360 PolarHBondContact O-N 3.13Å
361R93.8Very high95.1Very high11 Ų1135 Ų354%0.04219%0.191CC..SBendtrans-912.9-178.3-53-175.5-171.1-174.83.3113.8S191 M194 T219 V355 P356 P357 L358 D363 D364S191-R361 WeakPolarHBondContact CB-O 3.44Å; M194-R361 HydrophobicContact CG-CG 4.45Å; M194-R361 PolarHBondContact SD-NH1 3.39Å; T219-R361 PolarHBondContact O-NH2 3.27Å; V355-R361 VanDerWaalsContact CG1-NH2 3.25Å; P356-R361 HydrophobicContact CB-CG 4.43Å; P356-R361 HydrophobicContact CG-CG 4.24Å; P356-R361 PolarHBondContact O-NE 3.5Å; P356-R361 PolarHBondContact O-NH2 3.44Å; P357-R361 WeakPolarHBondContact O-CG 3.23Å; L358-R361 HydrophobicContact CD1-CB 4.48Å; L358-R361 WeakPolarHBondContact O-CB 3.39Å; L358-R361 PolarHBondContact O-N 3.43Å; R361-D363 PolarHBondContact O-N 2.99Å; R361-D364 HydrophobicContact CB-CB 3.69Å; R361-D364 WeakPolarHBondContact O-CB 3.47Å; R361-D364 PolarHBondContact O-N 3.45Å; R361-D364 VanDerWaalsContact O-N 3.13Å
362G89.2Confident95.1Very high48 Ų4833.4 Ų33.450%0.49518%0.184SC..THydrogen-bonded Turntrans54.6-121.2174.800000113.5D364 V365G362-D364 PolarHBondContact O-N 3.4Å; G362-V365 WeakPolarHBondContact O-CG1 3.13Å
363D90.2Very high95Very high79 Ų7929.6 Ų29.642%0.42216%0.159SC..THydrogen-bonded Turntrans-68.1-10-177-90-11.4000114.2K61 R361 V365 I366 L367 Q396K61-D363 IonicContact NZ-OD2 3.09Å; K61-D363 PolarHBondContact NZ-OD2 3.34Å; R361-D363 PolarHBondContact O-N 2.99Å; D363-V365 PolarHBondContact O-N 3.37Å; D363-V365 VanDerWaalsContact O-N 3.12Å; D363-I366 PolarHBondContact O-N 2.91Å; D363-L367 PolarHBondContact O-N 3.26Å; D363-Q396 PolarHBondContact OD1-NE2 3.46Å
364D94.9Very high94.9Very high4 Ų429.7 Ų29.72%0.02116%0.159CC..Hα-helixtrans-59.1-26176.5-73.9-8.2000112.8G189 L190 S191 M194 R361 G362 I366 L367 L368G189-D364 VanDerWaalsContact CA-CG 3.47Å; G189-D364 WeakPolarHBondContact CA-OD1 3.3Å; G189-D364 WeakPolarHBondContact CA-OD2 3.45Å; L190-D364 PolarHBondContact N-OD1 3.25Å; L190-D364 PolarHBondContact N-OD2 3.49Å; S191-D364 WeakPolarHBondContact CB-OD2 3.35Å; S191-D364 PolarHBondContact N-OD1 2.77Å; S191-D364 PolarHBondContact N-OD2 2.62Å; S191-D364 PolarHBondContact OG-OD2 2.99Å; M194-D364 WeakPolarHBondContact CG-OD2 3.49Å; R361-D364 HydrophobicContact CB-CB 3.69Å; R361-D364 WeakPolarHBondContact O-CB 3.47Å; R361-D364 PolarHBondContact O-N 3.45Å; R361-D364 VanDerWaalsContact O-N 3.13Å; G362-D364 PolarHBondContact O-N 3.4Å; D364-I366 PolarHBondContact O-N 3.01Å; D364-L367 PolarHBondContact O-N 3.48Å; D364-L368 WeakPolarHBondContact O-CB 3.29Å; D364-L368 WeakPolarHBondContact O-CG 3.48Å; D364-L368 PolarHBondContact O-N 3.06Å
365V96.2Very high94.8Very high5 Ų528.5 Ų28.53%0.0315%0.145CC..Hα-helixtrans-57.8-38.6173.866.10000112.1L358 G362 D363 A369 L395 Q396 F400 L407L358-V365 HydrophobicContact CD1-CB 4.32Å; L358-V365 HydrophobicContact CD2-CG2 4.38Å; G362-V365 WeakPolarHBondContact O-CG1 3.13Å; D363-V365 PolarHBondContact O-N 3.37Å; D363-V365 VanDerWaalsContact O-N 3.12Å; V365-A369 VanDerWaalsContact O-CB 3.28Å; V365-A369 WeakPolarHBondContact O-CB 3.37Å; V365-A369 PolarHBondContact O-N 3.32Å; V365-L395 HydrophobicContact CG2-CB 4.42Å; V365-Q396 HydrophobicContact CG1-CG 3.94Å; V365-F400 HydrophobicContact CG2-CD2 4.27Å; V365-F400 HydrophobicContact CG2-CE2 3.53Å; V365-F400 HydrophobicContact CG2-CZ 4Å; V365-L407 HydrophobicContact CG2-CD1 4.46Å; V365-L407 HydrophobicContact CG2-CD2 4.19Å
366I95.5Very high94.6Very high2 Ų228.5 Ų28.51%0.0115%0.145CC..Hα-helixtrans-74.9-36.6179.3-66.2-54.3000110.9K61 D62 D363 D364 A369 G370 R392 L395 Q396K61-I366 HydrophobicContact CB-CG2 3.81Å; D62-I366 HydrophobicContact CB-CG2 3.82Å; D62-I366 WeakPolarHBondContact CB-O 3.27Å; D363-I366 PolarHBondContact O-N 2.91Å; D364-I366 PolarHBondContact O-N 3.01Å; I366-A369 PolarHBondContact O-N 3.48Å; I366-G370 PolarHBondContact O-N 3.45Å; I366-R392 HydrophobicContact CD1-CB 3.99Å; I366-R392 HydrophobicContact CD1-CG 4.33Å; I366-L395 HydrophobicContact CD1-CB 4.3Å; I366-Q396 HydrophobicContact CD1-CG 3.72Å; I366-Q396 HydrophobicContact CG1-CG 3.49Å; I366-Q396 VanDerWaalsContact CG1-CG 3.49Å
367L95.4Very high94.4Very high14 Ų1428.8 Ų28.87%0.07314%0.144CC..Hα-helixtrans-62-50.6173.8-54.7-178.6000110.4L64 G65 I188 L190 D363 D364 A369 G370 Y371L64-L367 HydrophobicContact CB-CD2 3.43Å; L64-L367 VanDerWaalsContact CB-CD2 3.43Å; L64-L367 HydrophobicContact CD1-CD2 4.45Å; G65-L367 WeakPolarHBondContact CA-O 3.39Å; I188-L367 HydrophobicContact CG2-CB 4.05Å; L190-L367 HydrophobicContact CB-CD1 4.15Å; L190-L367 HydrophobicContact CD1-CD1 3.8Å; L190-L367 HydrophobicContact CG-CD1 3.74Å; D363-L367 PolarHBondContact O-N 3.26Å; D364-L367 PolarHBondContact O-N 3.48Å; L367-A369 VanDerWaalsContact C-N 3.3Å; L367-A369 PolarHBondContact O-N 3.34Å; L367-G370 PolarHBondContact O-N 3.22Å; L367-G370 VanDerWaalsContact O-N 3.17Å; L367-Y371 PolarHBondContact O-N 2.95Å
368L96.7Very high94.1Very high12 Ų1231.1 Ų31.16%0.06316%0.155CC..Hα-helixtrans-60.9-40.3176.9-71.6166.6000111.7I188 L358 D364 G370 Y371 F372 V404 L407I188-L368 HydrophobicContact CB-CD2 3.95Å; I188-L368 HydrophobicContact CG2-CD2 4.19Å; L358-L368 HydrophobicContact CD1-CD1 3.67Å; D364-L368 WeakPolarHBondContact O-CB 3.29Å; D364-L368 WeakPolarHBondContact O-CG 3.48Å; D364-L368 PolarHBondContact O-N 3.06Å; L368-G370 VanDerWaalsContact C-N 3.33Å; L368-G370 PolarHBondContact O-N 3.41Å; L368-Y371 WeakPolarHBondContact O-CB 3.32Å; L368-Y371 PolarHBondContact O-N 3.33Å; L368-F372 HydrophobicContact CB-CE2 4.15Å; L368-F372 WeakPolarHBondContact O-CD2 3.17Å; L368-F372 WeakPolarHBondContact O-CG 3.4Å; L368-F372 PolarHBondContact O-N 3.31Å; L368-V404 HydrophobicContact CD1-CG1 4.33Å; L368-V404 HydrophobicContact CD1-CG2 3.99Å; L368-V404 HydrophobicContact CD2-CG1 4.35Å; L368-L407 HydrophobicContact CB-CD2 3.54Å; L368-L407 HydrophobicContact CD1-CD2 4.39Å
369A96.7Very high93.8Very high0 Ų038.9 Ų38.90%018%0.184CC..Hα-helixtrans-60.4-42.7175.800000112V365 I366 L367 F372 C373 L387 L395 L407 I411V365-A369 VanDerWaalsContact O-CB 3.28Å; V365-A369 WeakPolarHBondContact O-CB 3.37Å; V365-A369 PolarHBondContact O-N 3.32Å; I366-A369 PolarHBondContact O-N 3.48Å; L367-A369 VanDerWaalsContact C-N 3.3Å; L367-A369 PolarHBondContact O-N 3.34Å; A369-F372 PolarHBondContact O-N 3.26Å; A369-C373 WeakPolarHBondContact O-CB 3.48Å; A369-C373 PolarHBondContact O-N 3.5Å; A369-C373 PolarHBondContact O-SG 2.98Å; A369-L387 HydrophobicContact CB-CD1 3.76Å; A369-L395 HydrophobicContact CB-CD1 3.9Å; A369-L407 HydrophobicContact CB-CD1 4.45Å; A369-I411 HydrophobicContact CB-CD1 4.06Å
370G95.1Very high93.5Very high0 Ų035.8 Ų35.80%018%0.175CC..Hα-helixtrans-60.6-45.3174.200000112.8D62 R66 I366 L367 L368 F372 C373 E374D62-G370 WeakPolarHBondContact O-CA 3.45Å; R66-G370 WeakPolarHBondContact CG-O 3.15Å; I366-G370 PolarHBondContact O-N 3.45Å; L367-G370 PolarHBondContact O-N 3.22Å; L367-G370 VanDerWaalsContact O-N 3.17Å; L368-G370 VanDerWaalsContact C-N 3.33Å; L368-G370 PolarHBondContact O-N 3.41Å; G370-F372 PolarHBondContact O-N 2.84Å; G370-C373 PolarHBondContact O-N 3.48Å; G370-E374 PolarHBondContact O-N 3.09Å
371Y95.2Very high93.2Very high62 Ų6232.8 Ų32.824%0.24318%0.178CC..Hα-helixtrans-55.3-50.2174.7178.8-109.5000112.2G65 R67 I188 L367 L368 C373 E374 Q375G65-Y371 WeakPolarHBondContact O-CA 3.29Å; G65-Y371 VanDerWaalsContact O-CB 3.28Å; G65-Y371 WeakPolarHBondContact O-CB 3.39Å; R67-Y371 HydrophobicContact CB-CD2 4.43Å; R67-Y371 HydrophobicContact CB-CE2 4.34Å; R67-Y371 HydrophobicContact CG-CD2 3.74Å; R67-Y371 HydrophobicContact CG-CE2 3.77Å; I188-Y371 HydrophobicContact CD1-CD1 3.8Å; I188-Y371 HydrophobicContact CD1-CD2 3.18Å; I188-Y371 HydrophobicContact CD1-CE1 4.29Å; I188-Y371 HydrophobicContact CD1-CE2 3.74Å; I188-Y371 HydrophobicContact CD1-CG 3.2Å; L367-Y371 PolarHBondContact O-N 2.95Å; L368-Y371 WeakPolarHBondContact O-CB 3.32Å; L368-Y371 PolarHBondContact O-N 3.33Å; Y371-C373 VanDerWaalsContact C-N 3.35Å; Y371-C373 PolarHBondContact O-N 2.84Å; Y371-E374 PolarHBondContact O-N 2.92Å; Y371-Q375 HydrophobicContact CD1-CG 4.42Å; Y371-Q375 HydrophobicContact CE1-CG 4.03Å; Y371-Q375 HydrophobicContact CE2-CG 4.23Å; Y371-Q375 WeakPolarHBondContact O-CG 3.47Å; Y371-Q375 PolarHBondContact O-N 3.08Å; Y371-Q375 PolarHBondContact OH-NE2 2.83Å
372F95.7Very high92.9Very high14 Ų1432.5 Ų32.56%0.06118%0.177CC..Hα-helixtrans-69.1-32-179.6-64-51.8000112.9L368 A369 G370 C376 V404 L407 E408 I411L368-F372 HydrophobicContact CB-CE2 4.15Å; L368-F372 WeakPolarHBondContact O-CD2 3.17Å; L368-F372 WeakPolarHBondContact O-CG 3.4Å; L368-F372 PolarHBondContact O-N 3.31Å; A369-F372 PolarHBondContact O-N 3.26Å; G370-F372 PolarHBondContact O-N 2.84Å; F372-C376 WeakPolarHBondContact O-CB 3.13Å; F372-C376 PolarHBondContact O-N 3.28Å; F372-C376 PolarHBondContact O-SG 3.49Å; F372-V404 HydrophobicContact CE2-CG1 3.93Å; F372-V404 HydrophobicContact CZ-CG1 3.72Å; F372-L407 HydrophobicContact CD2-CD2 4.36Å; F372-L407 HydrophobicContact CD2-CG 4.19Å; F372-L407 HydrophobicContact CE2-CD2 4.2Å; F372-L407 HydrophobicContact CE2-CG 4.23Å; F372-E408 HydrophobicContact CD1-CB 4.17Å; F372-E408 HydrophobicContact CD1-CG 3.85Å; F372-E408 HydrophobicContact CD2-CB 4.25Å; F372-E408 HydrophobicContact CE1-CB 3.88Å; F372-E408 HydrophobicContact CE1-CG 3.78Å; F372-E408 HydrophobicContact CE2-CB 3.97Å; F372-E408 HydrophobicContact CG-CB 4.36Å; F372-E408 HydrophobicContact CG-CG 4.37Å; F372-E408 HydrophobicContact CZ-CB 3.79Å; F372-E408 HydrophobicContact CZ-CG 4.22Å; F372-I411 HydrophobicContact CB-CB 4.14Å; F372-I411 HydrophobicContact CB-CG1 4.33Å; F372-I411 HydrophobicContact CB-CG2 3.87Å
373C94.9Very high92.6Very high0 Ų031.9 Ų31.90%017%0.165CC..Hα-helixtrans-62.4-44.3172.8-71.90000111.1A369 G370 Y371 C376 R377 V385A369-C373 WeakPolarHBondContact O-CB 3.48Å; A369-C373 PolarHBondContact O-N 3.5Å; A369-C373 PolarHBondContact O-SG 2.98Å; G370-C373 PolarHBondContact O-N 3.48Å; Y371-C373 VanDerWaalsContact C-N 3.35Å; Y371-C373 PolarHBondContact O-N 2.84Å; C373-C376 WeakPolarHBondContact O-CB 3.37Å; C373-C376 PolarHBondContact O-N 3.38Å; C373-R377 WeakPolarHBondContact O-CB 3.43Å; C373-R377 PolarHBondContact O-N 3.42Å; C373-V385 HydrophobicContact CB-CB 4.21Å; C373-V385 HydrophobicContact CB-CG1 3.8Å
374E94Very high92.5Very high4 Ų429.2 Ų29.22%0.01915%0.149CC..Hα-helixtrans-67.5-41.6178.7-173.553.6-148.700112R66 R67 F68 H73 G370 Y371 C376 R377 L378R66-E374 HydrophobicContact CB-CB 4.27Å; R66-E374 HydrophobicContact CB-CG 4.49Å; R66-E374 HydrophobicContact CG-CB 4.17Å; R66-E374 IonicContact NH1-OE2 4Å; R67-E374 WeakPolarHBondContact O-CG 3.46Å; F68-E374 HydrophobicContact CD1-CG 4.48Å; H73-E374 IonicContact CD2-OE1 3.52Å; H73-E374 IonicContact CE1-OE1 3.51Å; H73-E374 PolarHBondContact CE1-OE1 3.19Å; H73-E374 VanDerWaalsContact CE1-OE1 3.25Å; H73-E374 IonicContact NE2-OE1 3.05Å; H73-E374 PolarHBondContact NE2-OE1 3.34Å; G370-E374 PolarHBondContact O-N 3.09Å; Y371-E374 PolarHBondContact O-N 2.92Å; E374-C376 VanDerWaalsContact C-N 3.32Å; E374-C376 PolarHBondContact O-N 2.81Å; E374-R377 WeakPolarHBondContact O-CB 3.44Å; E374-R377 PolarHBondContact O-N 3.33Å; E374-R377 IonicContact OE1-CZ 3.55Å; E374-R377 IonicContact OE1-NE 4Å; E374-R377 PolarHBondContact OE1-NE 3.5Å; E374-R377 IonicContact OE1-NH2 3.48Å; E374-R377 PolarHBondContact OE1-NH2 3.41Å; E374-R377 IonicContact OE2-NE 2.75Å; E374-R377 PolarHBondContact OE2-NE 3.45Å; E374-L378 WeakPolarHBondContact O-CG 3.24Å; E374-L378 PolarHBondContact O-N 2.87Å
375Q92.5Very high92.3Very high59 Ų5929 Ų2928%0.27615%0.148SC..Hα-helixtrans-59.3-43172.7-73.8-69.6-10.100112.1Y371 R379Y371-Q375 HydrophobicContact CD1-CG 4.42Å; Y371-Q375 HydrophobicContact CE1-CG 4.03Å; Y371-Q375 HydrophobicContact CE2-CG 4.23Å; Y371-Q375 WeakPolarHBondContact O-CG 3.47Å; Y371-Q375 PolarHBondContact O-N 3.08Å; Y371-Q375 PolarHBondContact OH-NE2 2.83Å; Q375-R379 VanDerWaalsContact O-CB 3.26Å; Q375-R379 WeakPolarHBondContact O-CB 3.14Å; Q375-R379 PolarHBondContact O-N 3.45Å
376C92.8Very high92.1Very high3 Ų328.8 Ų28.82%0.0215%0.146CC..Hα-helixtrans-62.4-43.3174.6-75.10000112.2F372 C373 E374 R379 Q380 H412 V415F372-C376 WeakPolarHBondContact O-CB 3.13Å; F372-C376 PolarHBondContact O-N 3.28Å; F372-C376 PolarHBondContact O-SG 3.49Å; C373-C376 WeakPolarHBondContact O-CB 3.37Å; C373-C376 PolarHBondContact O-N 3.38Å; E374-C376 VanDerWaalsContact C-N 3.32Å; E374-C376 PolarHBondContact O-N 2.81Å; C376-R379 PolarHBondContact O-N 3.21Å; C376-Q380 VanDerWaalsContact O-CB 3.3Å; C376-Q380 WeakPolarHBondContact O-CB 3.28Å; C376-Q380 WeakPolarHBondContact O-CG 3.45Å; C376-Q380 PolarHBondContact O-N 3.24Å; C376-H412 PolarHBondContact SG-CD2 3.28Å; C376-V415 HydrophobicContact CB-CG2 4.04Å
377R92.4Very high91.9Very high25 Ų2528.7 Ų28.79%0.09415%0.146CC..Hα-helixtrans-57-52.7-179.3-171.4-165.275.182.8-0.4110.5G72 H73 C373 E374 G381 L382 S383 V385G72-R377 PolarHBondContact O-NH2 3.24Å; H73-R377 PolarHBondContact CE1-NH2 3.44Å; H73-R377 PolarHBondContact NE2-NH2 3.1Å; C373-R377 WeakPolarHBondContact O-CB 3.43Å; C373-R377 PolarHBondContact O-N 3.42Å; E374-R377 WeakPolarHBondContact O-CB 3.44Å; E374-R377 PolarHBondContact O-N 3.33Å; E374-R377 IonicContact OE1-CZ 3.55Å; E374-R377 IonicContact OE1-NE 4Å; E374-R377 PolarHBondContact OE1-NE 3.5Å; E374-R377 IonicContact OE1-NH2 3.48Å; E374-R377 PolarHBondContact OE1-NH2 3.41Å; E374-R377 IonicContact OE2-NE 2.75Å; E374-R377 PolarHBondContact OE2-NE 3.45Å; R377-G381 PolarHBondContact O-N 3.43Å; R377-G381 VanDerWaalsContact O-N 3.11Å; R377-L382 HydrophobicContact CG-CB 4.1Å; R377-L382 WeakPolarHBondContact CG-O 3.21Å; R377-L382 PolarHBondContact NH1-O 3.4Å; R377-L382 PolarHBondContact O-N 2.85Å; R377-S383 WeakPolarHBondContact CD-O 3.43Å; R377-V385 HydrophobicContact CB-CB 4.47Å; R377-V385 HydrophobicContact CB-CG2 3.84Å; R377-V385 HydrophobicContact CG-CG2 4.28Å
378L89.7Confident91.7Very high61 Ų6128.2 Ų28.232%0.31914%0.144SC..Hα-helixtrans-62.7-50.9179-68.5172000112E374 Q380 G381E374-L378 WeakPolarHBondContact O-CG 3.24Å; E374-L378 PolarHBondContact O-N 2.87Å; L378-Q380 VanDerWaalsContact C-N 3.27Å; L378-Q380 PolarHBondContact O-N 2.83Å; L378-G381 PolarHBondContact O-N 2.87Å
379R89.8Confident91.4Very high167 Ų16730.8 Ų30.863%0.6317%0.167SC*.Hα-helixtrans-64.7-31-175.1-170.3-179.9-64153.71.3113Q375 C376Q375-R379 VanDerWaalsContact O-CB 3.26Å; Q375-R379 WeakPolarHBondContact O-CB 3.14Å; Q375-R379 PolarHBondContact O-N 3.45Å; C376-R379 PolarHBondContact O-N 3.21Å
380Q88.7Confident91.2Very high56 Ų5632.7 Ų32.726%0.26219%0.186SC..Hα-helixtrans-99.61-177.9-63.8-172.945.500113.9C376 L378 L382C376-Q380 VanDerWaalsContact O-CB 3.3Å; C376-Q380 WeakPolarHBondContact O-CB 3.28Å; C376-Q380 WeakPolarHBondContact O-CG 3.45Å; C376-Q380 PolarHBondContact O-N 3.24Å; L378-Q380 VanDerWaalsContact C-N 3.27Å; L378-Q380 PolarHBondContact O-N 2.83Å; Q380-L382 VanDerWaalsContact C-N 3.32Å; Q380-L382 HydrophobicContact CB-CD1 3.96Å; Q380-L382 HydrophobicContact CB-CD2 4.49Å; Q380-L382 HydrophobicContact CB-CG 3.83Å; Q380-L382 PolarHBondContact O-N 3.43Å
381G86.8Confident91.2Very high63 Ų6332.7 Ų32.765%0.64919%0.186SC*.THydrogen-bonded Turntrans62.138.1-17800000113.1R377 L378R377-G381 PolarHBondContact O-N 3.43Å; R377-G381 VanDerWaalsContact O-N 3.11Å; L378-G381 PolarHBondContact O-N 2.87Å
382L87.9Confident91.1Very high5 Ų531.1 Ų31.13%0.02618%0.18CC..  trans-87.4146.4179.8-59.4171.3000110.2R377 Q380 V385 V415 R419 D425 V427R377-L382 HydrophobicContact CG-CB 4.1Å; R377-L382 WeakPolarHBondContact CG-O 3.21Å; R377-L382 PolarHBondContact NH1-O 3.4Å; R377-L382 PolarHBondContact O-N 2.85Å; Q380-L382 VanDerWaalsContact C-N 3.32Å; Q380-L382 HydrophobicContact CB-CD1 3.96Å; Q380-L382 HydrophobicContact CB-CD2 4.49Å; Q380-L382 HydrophobicContact CB-CG 3.83Å; Q380-L382 PolarHBondContact O-N 3.43Å; L382-V385 HydrophobicContact CB-CG2 4.37Å; L382-V385 HydrophobicContact CD1-CG2 3.64Å; L382-V415 HydrophobicContact CD1-CG1 3.79Å; L382-R419 HydrophobicContact CD2-CG 4.43Å; L382-D425 WeakPolarHBondContact CB-O 3.38Å; L382-V427 HydrophobicContact CD1-CG2 3.89Å; L382-V427 HydrophobicContact CD2-CG2 4.13Å
383S83.8Confident90.9Very high35 Ų3534.7 Ų34.725%0.24520%0.2CC..SBendtrans-67.1-47173.8530000110.2R377 D425 E426R377-S383 WeakPolarHBondContact CD-O 3.43Å; S383-D425 WeakPolarHBondContact CB-OD2 3.04Å; S383-D425 PolarHBondContact N-O 2.84Å; S383-D425 VanDerWaalsContact N-O 3.14Å; S383-D425 PolarHBondContact OG-O 2.92Å; S383-D425 VanDerWaalsContact OG-O 3.11Å; S383-D425 PolarHBondContact OG-OD1 2.8Å; S383-D425 PolarHBondContact OG-OD2 2.83Å; S383-E426 VanDerWaalsContact OG-CG 3.29Å; S383-E426 WeakPolarHBondContact OG-CG 3.42Å; S383-E426 PolarHBondContact OG-N 3.23Å
384R87.1Confident90.9Very high22 Ų2236.3 Ų36.38%0.08321%0.208CC..EExtended strand (participates in β ladder)trans-150.8150.8177.263.3-176178.8162.90.9114.2D99 E106 V386 E426 V427D99-R384 WeakPolarHBondContact O-CD 3.31Å; E106-R384 PolarHBondContact O-NH1 3Å; E106-R384 PolarHBondContact O-NH2 3.04Å; R384-V386 HydrophobicContact CG-CG2 4.49Å; R384-E426 HydrophobicContact CG-CB 3.97Å; R384-E426 HydrophobicContact CG-CG 4Å; R384-E426 IonicContact CZ-OE2 3.59Å; R384-E426 VanDerWaalsContact NE-CD 3.31Å; R384-E426 IonicContact NE-OE1 3.78Å; R384-E426 IonicContact NE-OE2 3.21Å; R384-E426 PolarHBondContact NE-OE2 3.39Å; R384-E426 IonicContact NH2-OE1 3.89Å; R384-E426 IonicContact NH2-OE2 2.68Å; R384-E426 PolarHBondContact NH2-OE2 3.49Å; R384-V427 PolarHBondContact O-N 3.15Å
385V91.2Very high90.9Very high0 Ų036.1 Ų36.10%021%0.207CC..EExtended strand (participates in β ladder)trans-128.8114.7169.5-177.60000108.6R66 C373 R377 L382 V415 V427 L429R66-V385 PolarHBondContact NH1-O 3.45Å; R66-V385 PolarHBondContact NH2-O 3.25Å; C373-V385 HydrophobicContact CB-CB 4.21Å; C373-V385 HydrophobicContact CB-CG1 3.8Å; R377-V385 HydrophobicContact CB-CB 4.47Å; R377-V385 HydrophobicContact CB-CG2 3.84Å; R377-V385 HydrophobicContact CG-CG2 4.28Å; L382-V385 HydrophobicContact CB-CG2 4.37Å; L382-V385 HydrophobicContact CD1-CG2 3.64Å; V385-V415 HydrophobicContact CG1-CG2 3.95Å; V385-V427 CarbonylContact C-O 3.6Å; V385-V427 WeakPolarHBondContact CA-O 3.42Å; V385-V427 HydrophobicContact CG2-CB 4.37Å; V385-L429 HydrophobicContact CG1-CD1 3.92Å; V385-L429 HydrophobicContact CG1-CG 4.14Å
386V91.5Very high90.9Very high0 Ų036.8 Ų36.80%021%0.211CC..EExtended strand (participates in β ladder)trans-118.3135.7-174.2178.20000109.8G100 L101 E106 R384 V427 I428 L429G100-V386 WeakPolarHBondContact O-CG1 3.27Å; L101-V386 HydrophobicContact CD2-CB 4.47Å; L101-V386 HydrophobicContact CD2-CG1 4.35Å; L101-V386 HydrophobicContact CD2-CG2 4.02Å; E106-V386 HydrophobicContact CG-CG1 4.41Å; R384-V386 HydrophobicContact CG-CG2 4.49Å; V386-V427 PolarHBondContact N-O 2.81Å; V386-I428 HydrophobicContact CB-CG1 4.38Å; V386-L429 WeakPolarHBondContact O-CB 3.28Å; V386-L429 PolarHBondContact O-N 3.08Å
387L92.4Very high90.9Very high0 Ų043.5 Ų43.50%024%0.241CC..EExtended strand (participates in β ladder)trans-89.3119.8168.7-69164.6000109.2D62 A369 A391 R392 L395 I411 L429 F434D62-L387 HydrophobicContact CB-CD1 4.07Å; A369-L387 HydrophobicContact CB-CD1 3.76Å; L387-A391 HydrophobicContact CD2-CB 4.27Å; L387-R392 HydrophobicContact CB-CG 3.76Å; L387-R392 HydrophobicContact CD1-CG 4.45Å; L387-R392 PolarHBondContact O-NH2 2.84Å; L387-L395 HydrophobicContact CD1-CD1 4.36Å; L387-L395 HydrophobicContact CD2-CD1 3.93Å; L387-I411 HydrophobicContact CD2-CD1 4.07Å; L387-L429 HydrophobicContact CD2-CB 4.02Å; L387-L429 HydrophobicContact CD2-CD1 3.82Å; L387-L429 HydrophobicContact CD2-CG 4.5Å; L387-F434 HydrophobicContact CD2-CZ 4.11Å
388S91.7Very high91Very high4 Ų443.2 Ų43.23%0.02824%0.24CC..  trans-65.2157.9173.180.90000110.7G390 A391 R392 L429 E430S388-G390 PolarHBondContact O-N 3.06Å; S388-A391 WeakPolarHBondContact O-CA 3.25Å; S388-A391 WeakPolarHBondContact O-CB 2.86Å; S388-A391 PolarHBondContact O-N 2.9Å; S388-A391 PolarHBondContact OG-N 2.87Å; S388-R392 PolarHBondContact O-N 2.94Å; S388-L429 PolarHBondContact N-O 3Å; S388-L429 PolarHBondContact OG-O 3.49Å; S388-E430 VanDerWaalsContact CB-OE2 3.23Å; S388-E430 WeakPolarHBondContact CB-OE2 3.38Å; S388-E430 PolarHBondContact OG-OE2 2.86Å
389A89.9Confident91.1Very high67 Ų6742.5 Ų42.555%0.55424%0.24SC*.Hα-helixtrans-54-37.4176.200000112.4N393A389-N393 WeakPolarHBondContact O-CB 2.89Å; A389-N393 PolarHBondContact O-N 2.8Å
390G92.4Very high91.3Very high39 Ų3934.6 Ų34.640%0.40221%0.211SC..Hα-helixtrans-65.7-37.6175.400000113.2S388 L394S388-G390 PolarHBondContact O-N 3.06Å; G390-L394 WeakPolarHBondContact O-CB 3.44Å; G390-L394 PolarHBondContact O-N 3.1Å; G390-L394 VanDerWaalsContact O-N 3.07Å
391A93.9Very high91.6Very high0 Ų035.6 Ų35.60%022%0.222CC..Hα-helixtrans-69.5-45.117500000112.2L387 S388 N393 L394 L395 L429 F434L387-A391 HydrophobicContact CD2-CB 4.27Å; S388-A391 WeakPolarHBondContact O-CA 3.25Å; S388-A391 WeakPolarHBondContact O-CB 2.86Å; S388-A391 PolarHBondContact O-N 2.9Å; S388-A391 PolarHBondContact OG-N 2.87Å; A391-N393 VanDerWaalsContact C-N 3.33Å; A391-N393 PolarHBondContact O-N 2.85Å; A391-L394 WeakPolarHBondContact O-CB 3.3Å; A391-L394 PolarHBondContact O-N 3.26Å; A391-L395 VanDerWaalsContact O-CG 3.31Å; A391-L395 WeakPolarHBondContact O-CG 3.48Å; A391-L395 PolarHBondContact O-N 3.17Å; A391-L429 WeakPolarHBondContact CB-O 3.47Å; A391-F434 HydrophobicContact CB-CD2 4.34Å; A391-F434 HydrophobicContact CB-CE2 3.71Å
392R93.4Very high91.9Very high29 Ų2933.7 Ų33.711%0.10920%0.202CC..Hα-helixtrans-57.1-47.8176.1-66.3-172.5-172.4111.513.3111.3D62 I366 L387 S388 L394 L395 Q396D62-R392 IonicContact OD1-CZ 2.77Å; D62-R392 IonicContact OD1-NE 2.99Å; D62-R392 PolarHBondContact OD1-NE 3.37Å; D62-R392 IonicContact OD1-NH2 2.62Å; D62-R392 PolarHBondContact OD1-NH2 3.35Å; I366-R392 HydrophobicContact CD1-CB 3.99Å; I366-R392 HydrophobicContact CD1-CG 4.33Å; L387-R392 HydrophobicContact CB-CG 3.76Å; L387-R392 HydrophobicContact CD1-CG 4.45Å; L387-R392 PolarHBondContact O-NH2 2.84Å; S388-R392 PolarHBondContact O-N 2.94Å; R392-L394 VanDerWaalsContact C-N 3.32Å; R392-L394 PolarHBondContact O-N 3.03Å; R392-L395 PolarHBondContact O-N 2.84Å; R392-Q396 PolarHBondContact O-N 3.06Å
393N92.5Very high92.3Very high90 Ų9033.4 Ų33.448%0.48120%0.201SC..Hα-helixtrans-60.9-42.3178.2-171.47.8000111.8A389 A391 Q396 H397A389-N393 WeakPolarHBondContact O-CB 2.89Å; A389-N393 PolarHBondContact O-N 2.8Å; A391-N393 VanDerWaalsContact C-N 3.33Å; A391-N393 PolarHBondContact O-N 2.85Å; N393-Q396 PolarHBondContact O-N 2.74Å; N393-H397 PolarHBondContact O-N 3.12Å; N393-H397 PolarHBondContact O-ND1 2.82Å; N393-H397 PolarHBondContact OD1-CE1 2.83Å; N393-H397 PolarHBondContact OD1-ND1 3.47Å
394L94.4Very high92.9Very high33 Ų3332.8 Ų32.817%0.17320%0.195CC..Hα-helixtrans-61.5-45.1175.9179.969.1000112.1G390 A391 R392 H397 Y398 A431 F434 F436G390-L394 WeakPolarHBondContact O-CB 3.44Å; G390-L394 PolarHBondContact O-N 3.1Å; G390-L394 VanDerWaalsContact O-N 3.07Å; A391-L394 WeakPolarHBondContact O-CB 3.3Å; A391-L394 PolarHBondContact O-N 3.26Å; R392-L394 VanDerWaalsContact C-N 3.32Å; R392-L394 PolarHBondContact O-N 3.03Å; L394-H397 PolarHBondContact O-N 2.93Å; L394-Y398 PolarHBondContact O-N 3.04Å; L394-A431 HydrophobicContact CD2-CB 4.13Å; L394-A431 WeakPolarHBondContact CD2-O 3.47Å; L394-F434 HydrophobicContact CD2-CB 3.62Å; L394-F434 HydrophobicContact CD2-CD2 4.28Å; L394-F434 HydrophobicContact CD2-CG 4.22Å; L394-F436 HydrophobicContact CD1-CD2 4.21Å; L394-F436 HydrophobicContact CD2-CD2 3.89Å; L394-F436 HydrophobicContact CD2-CE2 3.92Å; L394-F436 HydrophobicContact CG-CD2 3.93Å; L394-F436 HydrophobicContact CG-CE2 3.93Å
395L95.1Very high93.3Very high0 Ų038.1 Ų38.10%022%0.215CC..Hα-helixtrans-64.5-43179.1-65.8173000110.9V365 I366 A369 L387 A391 R392 H397 Y398 F400 L407 I411 F434 F436V365-L395 HydrophobicContact CG2-CB 4.42Å; I366-L395 HydrophobicContact CD1-CB 4.3Å; A369-L395 HydrophobicContact CB-CD1 3.9Å; L387-L395 HydrophobicContact CD1-CD1 4.36Å; L387-L395 HydrophobicContact CD2-CD1 3.93Å; A391-L395 VanDerWaalsContact O-CG 3.31Å; A391-L395 WeakPolarHBondContact O-CG 3.48Å; A391-L395 PolarHBondContact O-N 3.17Å; R392-L395 PolarHBondContact O-N 2.84Å; L395-H397 VanDerWaalsContact C-N 3.25Å; L395-H397 PolarHBondContact O-N 2.9Å; L395-Y398 PolarHBondContact O-N 3.37Å; L395-F400 HydrophobicContact CB-CZ 4.46Å; L395-F400 HydrophobicContact CD2-CE1 4.44Å; L395-F400 HydrophobicContact CD2-CZ 3.83Å; L395-F400 WeakPolarHBondContact O-CE2 3.47Å; L395-L407 HydrophobicContact CD2-CD1 4.02Å; L395-I411 HydrophobicContact CD1-CD1 4.08Å; L395-F434 HydrophobicContact CD1-CZ 4.33Å; L395-F434 HydrophobicContact CD2-CD1 4.05Å; L395-F434 HydrophobicContact CD2-CE1 3.91Å; L395-F434 HydrophobicContact CD2-CZ 4.41Å; L395-F436 HydrophobicContact CD2-CE2 4.05Å; L395-F436 HydrophobicContact CD2-CZ 3.83Å
396Q92.4Very high93.6Very high74 Ų7440.3 Ų40.335%0.34623%0.226SC..Hα-helixtrans-61.4-29.8179.4-82.1170.7-40.300114.6D363 V365 I366 R392 N393D363-Q396 PolarHBondContact OD1-NE2 3.46Å; V365-Q396 HydrophobicContact CG1-CG 3.94Å; I366-Q396 HydrophobicContact CD1-CG 3.72Å; I366-Q396 HydrophobicContact CG1-CG 3.49Å; I366-Q396 VanDerWaalsContact CG1-CG 3.49Å; R392-Q396 PolarHBondContact O-N 3.06Å; N393-Q396 PolarHBondContact O-N 2.74Å
397H92.4Very high93.8Very high143 Ų14340.3 Ų40.366%0.66223%0.226SC*.Hα-helixtrans-101-2.4-174.4-67.484.6000114N393 L394 L395N393-H397 PolarHBondContact O-N 3.12Å; N393-H397 PolarHBondContact O-ND1 2.82Å; N393-H397 PolarHBondContact OD1-CE1 2.83Å; N393-H397 PolarHBondContact OD1-ND1 3.47Å; L394-H397 PolarHBondContact O-N 2.93Å; L395-H397 VanDerWaalsContact C-N 3.25Å; L395-H397 PolarHBondContact O-N 2.9Å
398Y93.8Very high94Very high20 Ų2043.3 Ų43.38%0.07824%0.24CC..  trans-86.5141.8175.7-171.3-115.3000110.8L394 L395 F400 E406 F436 P437 E438L394-Y398 PolarHBondContact O-N 3.04Å; L395-Y398 PolarHBondContact O-N 3.37Å; Y398-F400 HydrophobicContact CD1-CB 4.44Å; Y398-F400 AromaticContact CD1-CD1 3.69Å; Y398-F400 HydrophobicContact CD1-CD1 3.69Å; Y398-F400 AromaticContact CD1-CD2 3.95Å; Y398-F400 HydrophobicContact CD1-CD2 3.95Å; Y398-F400 AromaticContact CD1-CE1 3.79Å; Y398-F400 HydrophobicContact CD1-CE1 3.79Å; Y398-F400 HydrophobicContact CD1-CE2 4.03Å; Y398-F400 AromaticContact CD1-CG 3.77Å; Y398-F400 HydrophobicContact CD1-CG 3.77Å; Y398-F400 AromaticContact CD1-CZ 3.96Å; Y398-F400 HydrophobicContact CD1-CZ 3.96Å; Y398-F400 HydrophobicContact CE1-CD1 4.11Å; Y398-F400 HydrophobicContact CE1-CE1 4.48Å; Y398-F400 HydrophobicContact CE1-CG 4.31Å; Y398-F400 HydrophobicContact CG-CE2 4.5Å; Y398-F400 WeakPolarHBondContact O-CD2 3.11Å; Y398-F400 WeakPolarHBondContact O-CE2 3.31Å; Y398-E406 WeakPolarHBondContact CE1-OE1 3.37Å; Y398-E406 PolarHBondContact OH-OE1 3.22Å; Y398-F436 AromaticContact CD1-CD1 3.75Å; Y398-F436 HydrophobicContact CD1-CD1 3.75Å; Y398-F436 HydrophobicContact CD1-CD2 4.32Å; Y398-F436 AromaticContact CD1-CE1 3.78Å; Y398-F436 HydrophobicContact CD1-CE1 3.78Å; Y398-F436 HydrophobicContact CD1-CE2 4.33Å; Y398-F436 HydrophobicContact CD1-CG 4.05Å; Y398-F436 HydrophobicContact CD1-CZ 4.08Å; Y398-F436 HydrophobicContact CD2-CB 4.08Å; Y398-F436 HydrophobicContact CD2-CD1 4.5Å; Y398-F436 HydrophobicContact CD2-CD2 4.34Å; Y398-F436 HydrophobicContact CD2-CG 4.08Å; Y398-F436 AromaticContact CE1-CD1 3.56Å; Y398-F436 HydrophobicContact CE1-CD1 3.56Å; Y398-F436 AromaticContact CE1-CE1 3.87Å; Y398-F436 HydrophobicContact CE1-CE1 3.87Å; Y398-F436 HydrophobicContact CE1-CG 4.11Å; Y398-F436 HydrophobicContact CE2-CB 3.9Å; Y398-F436 HydrophobicContact CE2-CD1 4.38Å; Y398-F436 HydrophobicContact CE2-CG 4.18Å; Y398-F436 HydrophobicContact CG-CD1 4.22Å; Y398-F436 HydrophobicContact CG-CD2 4.06Å; Y398-F436 HydrophobicContact CG-CE1 4.46Å; Y398-F436 HydrophobicContact CG-CE2 4.3Å; Y398-F436 HydrophobicContact CG-CG 4.03Å; Y398-F436 AromaticContact CZ-CD1 3.92Å; Y398-P437 WeakPolarHBondContact OH-CD 3.21Å; Y398-E438 HydrophobicContact CE2-CG 4.17Å
399S92.2Very high94.2Very high45 Ų4548.5 Ų48.532%0.31526%0.263SS..  trans-76.7-21.5-173.154.30000114.5
400F94.9Very high94.5Very high2 Ų245.6 Ų45.61%0.00924%0.239CC..  trans47.271.3-175.2-62.8-83.7000113.8L358 V365 L395 Y398 G402 N403 E406 L407 F436L358-F400 HydrophobicContact CB-CB 4.48Å; L358-F400 HydrophobicContact CD2-CB 3.93Å; L358-F400 HydrophobicContact CD2-CD1 4.37Å; L358-F400 HydrophobicContact CD2-CD2 3.86Å; L358-F400 HydrophobicContact CD2-CE2 4.48Å; L358-F400 HydrophobicContact CD2-CG 3.8Å; L358-F400 HydrophobicContact CG-CD2 4.4Å; V365-F400 HydrophobicContact CG2-CD2 4.27Å; V365-F400 HydrophobicContact CG2-CE2 3.53Å; V365-F400 HydrophobicContact CG2-CZ 4Å; L395-F400 HydrophobicContact CB-CZ 4.46Å; L395-F400 HydrophobicContact CD2-CE1 4.44Å; L395-F400 HydrophobicContact CD2-CZ 3.83Å; L395-F400 WeakPolarHBondContact O-CE2 3.47Å; Y398-F400 HydrophobicContact CD1-CB 4.44Å; Y398-F400 AromaticContact CD1-CD1 3.69Å; Y398-F400 HydrophobicContact CD1-CD1 3.69Å; Y398-F400 AromaticContact CD1-CD2 3.95Å; Y398-F400 HydrophobicContact CD1-CD2 3.95Å; Y398-F400 AromaticContact CD1-CE1 3.79Å; Y398-F400 HydrophobicContact CD1-CE1 3.79Å; Y398-F400 HydrophobicContact CD1-CE2 4.03Å; Y398-F400 AromaticContact CD1-CG 3.77Å; Y398-F400 HydrophobicContact CD1-CG 3.77Å; Y398-F400 AromaticContact CD1-CZ 3.96Å; Y398-F400 HydrophobicContact CD1-CZ 3.96Å; Y398-F400 HydrophobicContact CE1-CD1 4.11Å; Y398-F400 HydrophobicContact CE1-CE1 4.48Å; Y398-F400 HydrophobicContact CE1-CG 4.31Å; Y398-F400 HydrophobicContact CG-CE2 4.5Å; Y398-F400 WeakPolarHBondContact O-CD2 3.11Å; Y398-F400 WeakPolarHBondContact O-CE2 3.31Å; F400-G402 PolarHBondContact O-N 3.07Å; F400-N403 WeakPolarHBondContact O-CA 3.49Å; F400-N403 PolarHBondContact O-N 3.27Å; F400-E406 WeakPolarHBondContact CA-OE2 3.26Å; F400-E406 HydrophobicContact CD1-CB 4.49Å; F400-E406 HydrophobicContact CD1-CG 4.27Å; F400-L407 HydrophobicContact CD1-CB 4.06Å; F400-L407 HydrophobicContact CE1-CB 3.91Å; F400-L407 HydrophobicContact CE1-CD1 3.74Å; F400-L407 HydrophobicContact CE1-CG 4.42Å; F400-L407 HydrophobicContact CZ-CD1 3.81Å; F400-F436 HydrophobicContact CE1-CE1 4.14Å; F400-F436 AromaticContact CE1-CZ 3.95Å; F400-F436 HydrophobicContact CE1-CZ 3.95Å; F400-F436 HydrophobicContact CZ-CZ 4.18Å
401P93.7Very high94.7Very high77 Ų7743.7 Ų43.750%0.522%0.22SC..THydrogen-bonded Turntrans-57.6-27.4174.525.2-35.7000113.7N403 E406P401-N403 VanDerWaalsContact C-N 3.34Å; P401-E406 WeakPolarHBondContact CD-OE2 3.48Å; P401-E406 WeakPolarHBondContact CG-OE2 3.45Å
402G94.2Very high94.8Very high22 Ų2245.8 Ų45.823%0.22723%0.229CC..THydrogen-bonded Turntrans-92.611.4171.900000114.2F400 R405 E406F400-G402 PolarHBondContact O-N 3.07Å; G402-R405 PolarHBondContact O-N 3.41Å; G402-E406 PolarHBondContact N-OE2 2.83Å; G402-E406 PolarHBondContact O-N 2.83Å; G402-E406 VanDerWaalsContact O-N 3.17Å
403N96.4Very high94.8Very high0 Ų049.6 Ų49.60%024%0.244CC..Hα-helixtrans52-135.8175.9-68.1-76.7000113E216 T217 G218 T219 P357 L358 F400 P401 R405 E406 L407E216-N403 WeakPolarHBondContact CB-ND2 3.07Å; E216-N403 PolarHBondContact OE2-ND2 3.41Å; T217-N403 PolarHBondContact O-ND2 2.86Å; G218-N403 WeakPolarHBondContact O-CB 3.4Å; T219-N403 HydrophobicContact CG2-CB 3.87Å; T219-N403 VanDerWaalsContact CG2-CG 3.45Å; P357-N403 WeakPolarHBondContact CA-OD1 3.16Å; P357-N403 WeakPolarHBondContact CB-OD1 3.4Å; L358-N403 HydrophobicContact CB-CB 4.35Å; L358-N403 PolarHBondContact N-OD1 2.91Å; F400-N403 WeakPolarHBondContact O-CA 3.49Å; F400-N403 PolarHBondContact O-N 3.27Å; P401-N403 VanDerWaalsContact C-N 3.34Å; N403-R405 VanDerWaalsContact C-N 3.32Å; N403-R405 PolarHBondContact O-N 3.22Å; N403-E406 PolarHBondContact O-N 3.01Å; N403-L407 PolarHBondContact O-N 2.94Å; N403-L407 VanDerWaalsContact O-N 3.1Å
404V96.4Very high95Very high22 Ų2245.3 Ų45.313%0.13322%0.221CC..Hα-helixtrans-65.9-35.3-174.3-1750000111.3G218 L368 F372 E406 L407 E408G218-V404 WeakPolarHBondContact O-CB 3.46Å; G218-V404 PolarHBondContact O-N 3.49Å; L368-V404 HydrophobicContact CD1-CG1 4.33Å; L368-V404 HydrophobicContact CD1-CG2 3.99Å; L368-V404 HydrophobicContact CD2-CG1 4.35Å; F372-V404 HydrophobicContact CE2-CG1 3.93Å; F372-V404 HydrophobicContact CZ-CG1 3.72Å; V404-E406 VanDerWaalsContact C-N 3.34Å; V404-E406 PolarHBondContact O-N 3.18Å; V404-L407 PolarHBondContact O-N 2.91Å; V404-E408 PolarHBondContact O-N 2.94Å
405R95.4Very high94.9Very high134 Ų13443.7 Ų43.751%0.50621%0.213SC..Hα-helixtrans-63-40.9176.7-174.8-179.3-75.1153-5.8111.7G218 G402 N403 H409G218-R405 PolarHBondContact O-N 3.44Å; G402-R405 PolarHBondContact O-N 3.41Å; N403-R405 VanDerWaalsContact C-N 3.32Å; N403-R405 PolarHBondContact O-N 3.22Å; R405-H409 VanDerWaalsContact O-CG 3.28Å; R405-H409 PolarHBondContact O-N 3.34Å; R405-H409 VanDerWaalsContact O-N 3.15Å
406E96.4Very high94.8Very high46 Ų4647.8 Ų47.822%0.21524%0.237CC..Hα-helixtrans-66.4-42.8174.2-179.3176.7-165.700111.8Y398 F400 P401 G402 N403 V404 H409 A410Y398-E406 WeakPolarHBondContact CE1-OE1 3.37Å; Y398-E406 PolarHBondContact OH-OE1 3.22Å; F400-E406 WeakPolarHBondContact CA-OE2 3.26Å; F400-E406 HydrophobicContact CD1-CB 4.49Å; F400-E406 HydrophobicContact CD1-CG 4.27Å; P401-E406 WeakPolarHBondContact CD-OE2 3.48Å; P401-E406 WeakPolarHBondContact CG-OE2 3.45Å; G402-E406 PolarHBondContact N-OE2 2.83Å; G402-E406 PolarHBondContact O-N 2.83Å; G402-E406 VanDerWaalsContact O-N 3.17Å; N403-E406 PolarHBondContact O-N 3.01Å; V404-E406 VanDerWaalsContact C-N 3.34Å; V404-E406 PolarHBondContact O-N 3.18Å; E406-H409 PolarHBondContact O-N 2.68Å; E406-A410 VanDerWaalsContact O-CB 3.24Å; E406-A410 WeakPolarHBondContact O-CB 3.47Å; E406-A410 PolarHBondContact O-N 3.4Å
407L96.9Very high94.8Very high0 Ų048 Ų480%024%0.24CC..Hα-helixtrans-58.7-48.1176.4175.462.8000111.7L358 V365 L368 A369 F372 L395 F400 N403 V404 H409 A410 I411L358-L407 HydrophobicContact CD2-CB 4.16Å; L358-L407 HydrophobicContact CD2-CD2 4.06Å; V365-L407 HydrophobicContact CG2-CD1 4.46Å; V365-L407 HydrophobicContact CG2-CD2 4.19Å; L368-L407 HydrophobicContact CB-CD2 3.54Å; L368-L407 HydrophobicContact CD1-CD2 4.39Å; A369-L407 HydrophobicContact CB-CD1 4.45Å; F372-L407 HydrophobicContact CD2-CD2 4.36Å; F372-L407 HydrophobicContact CD2-CG 4.19Å; F372-L407 HydrophobicContact CE2-CD2 4.2Å; F372-L407 HydrophobicContact CE2-CG 4.23Å; L395-L407 HydrophobicContact CD2-CD1 4.02Å; F400-L407 HydrophobicContact CD1-CB 4.06Å; F400-L407 HydrophobicContact CE1-CB 3.91Å; F400-L407 HydrophobicContact CE1-CD1 3.74Å; F400-L407 HydrophobicContact CE1-CG 4.42Å; F400-L407 HydrophobicContact CZ-CD1 3.81Å; N403-L407 PolarHBondContact O-N 2.94Å; N403-L407 VanDerWaalsContact O-N 3.1Å; V404-L407 PolarHBondContact O-N 2.91Å; L407-H409 PolarHBondContact O-N 3.21Å; L407-A410 PolarHBondContact O-N 3.03Å; L407-I411 HydrophobicContact CD1-CG1 4.1Å; L407-I411 WeakPolarHBondContact O-CG1 3.43Å; L407-I411 PolarHBondContact O-N 3.29Å
408E96.4Very high94.7Very high63 Ų6341.4 Ų41.429%0.29421%0.211SC..Hα-helixtrans-55.7-52.4177-178.7-178.8-177.800111F372 V404 A410 I411 H412F372-E408 HydrophobicContact CD1-CB 4.17Å; F372-E408 HydrophobicContact CD1-CG 3.85Å; F372-E408 HydrophobicContact CD2-CB 4.25Å; F372-E408 HydrophobicContact CE1-CB 3.88Å; F372-E408 HydrophobicContact CE1-CG 3.78Å; F372-E408 HydrophobicContact CE2-CB 3.97Å; F372-E408 HydrophobicContact CG-CB 4.36Å; F372-E408 HydrophobicContact CG-CG 4.37Å; F372-E408 HydrophobicContact CZ-CB 3.79Å; F372-E408 HydrophobicContact CZ-CG 4.22Å; V404-E408 PolarHBondContact O-N 2.94Å; E408-A410 VanDerWaalsContact C-N 3.3Å; E408-A410 PolarHBondContact O-N 3.44Å; E408-I411 PolarHBondContact O-N 3.41Å; E408-H412 WeakPolarHBondContact O-CB 3.32Å; E408-H412 PolarHBondContact O-CD2 3.12Å; E408-H412 PolarHBondContact O-N 2.95Å; E408-H412 IonicContact OE1-CE1 3.8Å; E408-H412 PolarHBondContact OE1-CE1 3.22Å; E408-H412 IonicContact OE1-NE2 2.72Å
409H96Very high94.5Very high112 Ų11245.6 Ų45.652%0.51923%0.226SC..Hα-helixtrans-61.1-38.6178.4-69.4172.3000112.4R405 E406 L407 R413R405-H409 VanDerWaalsContact O-CG 3.28Å; R405-H409 PolarHBondContact O-N 3.34Å; R405-H409 VanDerWaalsContact O-N 3.15Å; E406-H409 PolarHBondContact O-N 2.68Å; L407-H409 PolarHBondContact O-N 3.21Å; H409-R413 VanDerWaalsContact O-CB 3.27Å; H409-R413 WeakPolarHBondContact O-CB 3.26Å; H409-R413 PolarHBondContact O-N 3.24Å
410A96.2Very high94.2Very high6 Ų647.5 Ų47.55%0.0525%0.245CC..Hα-helixtrans-64.6-43.6178.500000111.5E406 L407 E408 A414 F434 F436E406-A410 VanDerWaalsContact O-CB 3.24Å; E406-A410 WeakPolarHBondContact O-CB 3.47Å; E406-A410 PolarHBondContact O-N 3.4Å; L407-A410 PolarHBondContact O-N 3.03Å; E408-A410 VanDerWaalsContact C-N 3.3Å; E408-A410 PolarHBondContact O-N 3.44Å; A410-A414 VanDerWaalsContact O-CB 3.23Å; A410-A414 WeakPolarHBondContact O-CB 3.21Å; A410-A414 PolarHBondContact O-N 3.34Å; A410-F434 HydrophobicContact CB-CD1 4.26Å; A410-F436 HydrophobicContact CB-CE1 3.93Å; A410-F436 HydrophobicContact CB-CZ 4.15Å
411I96.4Very high93.6Very high0 Ų052.1 Ų52.10%027%0.273CS..Hα-helixtrans-64.8-49.3175.7-65-72.1000110.4A369 F372 L387 L395 L407 E408 R413 A414 V415 F434A369-I411 HydrophobicContact CB-CD1 4.06Å; F372-I411 HydrophobicContact CB-CB 4.14Å; F372-I411 HydrophobicContact CB-CG1 4.33Å; F372-I411 HydrophobicContact CB-CG2 3.87Å; L387-I411 HydrophobicContact CD2-CD1 4.07Å; L395-I411 HydrophobicContact CD1-CD1 4.08Å; L407-I411 HydrophobicContact CD1-CG1 4.1Å; L407-I411 WeakPolarHBondContact O-CG1 3.43Å; L407-I411 PolarHBondContact O-N 3.29Å; E408-I411 PolarHBondContact O-N 3.41Å; I411-R413 VanDerWaalsContact C-N 3.33Å; I411-R413 PolarHBondContact O-N 2.75Å; I411-A414 PolarHBondContact O-N 3.38Å; I411-A414 VanDerWaalsContact O-N 3.13Å; I411-V415 WeakPolarHBondContact O-CG2 3.37Å; I411-V415 PolarHBondContact O-N 3Å; I411-F434 HydrophobicContact CD1-CE1 3.87Å; I411-F434 HydrophobicContact CD1-CZ 3.98Å
412H94.9Very high92.7Very high43 Ų4354.3 Ų54.320%0.19927%0.272CS..Hα-helixtrans-56-48.2178.5-74-172.2000111.5C376 E408 A414 V415 V416C376-H412 PolarHBondContact SG-CD2 3.28Å; E408-H412 WeakPolarHBondContact O-CB 3.32Å; E408-H412 PolarHBondContact O-CD2 3.12Å; E408-H412 PolarHBondContact O-N 2.95Å; E408-H412 IonicContact OE1-CE1 3.8Å; E408-H412 PolarHBondContact OE1-CE1 3.22Å; E408-H412 IonicContact OE1-NE2 2.72Å; H412-A414 PolarHBondContact O-N 3.38Å; H412-V415 PolarHBondContact O-N 3.4Å; H412-V416 WeakPolarHBondContact O-CG2 3.4Å; H412-V416 PolarHBondContact O-N 3.48Å
413R94.7Very high91.4Very high109 Ų10959.8 Ų59.841%0.41131%0.306SS..Hα-helixtrans-63.1-42.8177.4-171.3-176.270.3-171.9-6.2111.5H409 I411 V415 V416 L417 A435H409-R413 VanDerWaalsContact O-CB 3.27Å; H409-R413 WeakPolarHBondContact O-CB 3.26Å; H409-R413 PolarHBondContact O-N 3.24Å; I411-R413 VanDerWaalsContact C-N 3.33Å; I411-R413 PolarHBondContact O-N 2.75Å; R413-V415 VanDerWaalsContact C-N 3.32Å; R413-V415 PolarHBondContact O-N 3.14Å; R413-V416 PolarHBondContact O-N 3.29Å; R413-L417 HydrophobicContact CG-CD1 4.2Å; R413-L417 HydrophobicContact CG-CG 4.47Å; R413-L417 WeakPolarHBondContact O-CG 3.33Å; R413-L417 PolarHBondContact O-N 3.02Å; R413-A435 PolarHBondContact NH2-O 3.22Å
414A95Very high90.5Very high0 Ų062.1 Ų62.10%033%0.331CS..Hα-helixtrans-61.9-40.3179.900000111.8A410 I411 H412 L417 A418 L429 H433 F434A410-A414 VanDerWaalsContact O-CB 3.23Å; A410-A414 WeakPolarHBondContact O-CB 3.21Å; A410-A414 PolarHBondContact O-N 3.34Å; I411-A414 PolarHBondContact O-N 3.38Å; I411-A414 VanDerWaalsContact O-N 3.13Å; H412-A414 PolarHBondContact O-N 3.38Å; A414-L417 PolarHBondContact O-N 3.15Å; A414-A418 VanDerWaalsContact O-CB 3.29Å; A414-A418 WeakPolarHBondContact O-CB 3.34Å; A414-A418 PolarHBondContact O-N 3.11Å; A414-L429 HydrophobicContact CB-CD1 4.44Å; A414-L429 HydrophobicContact CB-CD2 4.04Å; A414-H433 HydrophobicContact CB-CB 3.82Å; A414-F434 HydrophobicContact CB-CD1 4.02Å; A414-F434 HydrophobicContact CB-CD2 4.48Å; A414-F434 HydrophobicContact CB-CE1 3.61Å; A414-F434 HydrophobicContact CB-CE2 4.1Å; A414-F434 HydrophobicContact CB-CG 4.44Å; A414-F434 HydrophobicContact CB-CZ 3.66Å
415V93.9Very high89.8Confident0 Ų065.1 Ų65.10%035%0.346CS..Hα-helixtrans-61.2-46.3174.7174.60000111.1C376 L382 V385 I411 H412 R413 L417 A418 R419 L429C376-V415 HydrophobicContact CB-CG2 4.04Å; L382-V415 HydrophobicContact CD1-CG1 3.79Å; V385-V415 HydrophobicContact CG1-CG2 3.95Å; I411-V415 WeakPolarHBondContact O-CG2 3.37Å; I411-V415 PolarHBondContact O-N 3Å; H412-V415 PolarHBondContact O-N 3.4Å; R413-V415 VanDerWaalsContact C-N 3.32Å; R413-V415 PolarHBondContact O-N 3.14Å; V415-L417 PolarHBondContact O-N 2.95Å; V415-A418 PolarHBondContact O-N 2.92Å; V415-R419 WeakPolarHBondContact O-CG 3.46Å; V415-R419 PolarHBondContact O-N 3.25Å; V415-L429 HydrophobicContact CB-CD2 4.45Å; V415-L429 HydrophobicContact CG2-CD1 4Å; V415-L429 HydrophobicContact CG2-CD2 3.94Å; V415-L429 HydrophobicContact CG2-CG 4.49Å
416V91.9Very high89.3Confident86 Ų8662.5 Ų62.552%0.52134%0.339SS..Hα-helixtrans-61.4-44.6178.4174.20000111.6H412 R413 R419 A420H412-V416 WeakPolarHBondContact O-CG2 3.4Å; H412-V416 PolarHBondContact O-N 3.48Å; R413-V416 PolarHBondContact O-N 3.29Å; V416-R419 PolarHBondContact O-N 3.41Å; V416-A420 PolarHBondContact O-N 3.12Å
417L92.1Very high88.9Confident77 Ų7760.5 Ų60.540%0.40333%0.33SS..Hα-helixtrans-66.1-41.5178.5-68.5175.5000112.4R413 A414 V415 R419 A420 T421R413-L417 HydrophobicContact CG-CD1 4.2Å; R413-L417 HydrophobicContact CG-CG 4.47Å; R413-L417 WeakPolarHBondContact O-CG 3.33Å; R413-L417 PolarHBondContact O-N 3.02Å; A414-L417 PolarHBondContact O-N 3.15Å; V415-L417 PolarHBondContact O-N 2.95Å; L417-R419 VanDerWaalsContact C-N 3.34Å; L417-R419 PolarHBondContact O-N 3.13Å; L417-A420 PolarHBondContact O-N 3.12Å; L417-T421 PolarHBondContact O-N 3.29Å; L417-T421 PolarHBondContact O-OG1 3.27Å
418A91.7Very high88.6Confident5 Ų561.4 Ų61.44%0.04134%0.335CS..Hα-helixtrans-62.4-43177.600000111.3A414 V415 A420 T421 R422 V427 L429A414-A418 VanDerWaalsContact O-CB 3.29Å; A414-A418 WeakPolarHBondContact O-CB 3.34Å; A414-A418 PolarHBondContact O-N 3.11Å; V415-A418 PolarHBondContact O-N 2.92Å; A418-A420 VanDerWaalsContact C-N 3.31Å; A418-A420 PolarHBondContact O-N 3.27Å; A418-T421 PolarHBondContact O-N 3.27Å; A418-T421 VanDerWaalsContact O-N 3.14Å; A418-T421 PolarHBondContact O-OG1 3.31Å; A418-R422 PolarHBondContact O-N 2.69Å; A418-R422 VanDerWaalsContact O-N 3.15Å; A418-V427 HydrophobicContact CB-CG1 3.55Å; A418-L429 HydrophobicContact CB-CD2 3.92Å
419R89.2Confident88.5Confident108 Ų10858.4 Ų58.441%0.40832%0.321SS..Hα-helixtrans-63.8-33.2174.1-72.3-174.473.3-177.24.5113.6L382 V415 V416 L417 T421 V427L382-R419 HydrophobicContact CD2-CG 4.43Å; V415-R419 WeakPolarHBondContact O-CG 3.46Å; V415-R419 PolarHBondContact O-N 3.25Å; V416-R419 PolarHBondContact O-N 3.41Å; L417-R419 VanDerWaalsContact C-N 3.34Å; L417-R419 PolarHBondContact O-N 3.13Å; R419-T421 PolarHBondContact O-N 3.1Å; R419-V427 HydrophobicContact CG-CG2 3.61Å
420A86.5Confident88.3Confident85 Ų8556 Ų5670%0.70231%0.31SS*.Hα-helixtrans-68.7-21176.900000112.8V416 L417 A418V416-A420 PolarHBondContact O-N 3.12Å; L417-A420 PolarHBondContact O-N 3.12Å; A418-A420 VanDerWaalsContact C-N 3.31Å; A418-A420 PolarHBondContact O-N 3.27Å
421T81.6Confident88.1Confident99 Ų9956.3 Ų56.361%0.60731%0.313SS*.Hα-helixtrans-103.5-18.9-175.754.10000114.2L417 A418 R419L417-T421 PolarHBondContact O-N 3.29Å; L417-T421 PolarHBondContact O-OG1 3.27Å; A418-T421 PolarHBondContact O-N 3.27Å; A418-T421 VanDerWaalsContact O-N 3.14Å; A418-T421 PolarHBondContact O-OG1 3.31Å; R419-T421 PolarHBondContact O-N 3.1Å
422R74.3Confident87.9Confident124 Ų12463.4 Ų63.447%0.46835%0.346SS..SBendtrans-125.8129.9176.4-68.2-173.4-175.3178.24.9110.2A418 G424A418-R422 PolarHBondContact O-N 2.69Å; A418-R422 VanDerWaalsContact O-N 3.15Å; R422-G424 PolarHBondContact O-N 3.12Å
423S67.4Low87.8Confident136 Ų13661.9 Ų61.995%0.95134%0.339SS*.  trans-77.9118.1169.8-66.80000109
424G77.1Confident87.7Confident50 Ų5056.8 Ų56.852%0.51532%0.32SS..SBendtrans154.4170-179.800000112.3R422R422-G424 PolarHBondContact O-N 3.12Å
425D81.8Confident87.1Confident85 Ų8559.6 Ų59.646%0.45534%0.343SS..SBendtrans-93.1-7.1171.860.3-6.3000112.6L382 S383L382-D425 WeakPolarHBondContact CB-O 3.38Å; S383-D425 WeakPolarHBondContact CB-OD2 3.04Å; S383-D425 PolarHBondContact N-O 2.84Å; S383-D425 VanDerWaalsContact N-O 3.14Å; S383-D425 PolarHBondContact OG-O 2.92Å; S383-D425 VanDerWaalsContact OG-O 3.11Å; S383-D425 PolarHBondContact OG-OD1 2.8Å; S383-D425 PolarHBondContact OG-OD2 2.83Å
426E84.9Confident86.6Confident78 Ų7860 Ų6036%0.36435%0.345SS..EExtended strand (participates in β ladder)trans-90.3122.7175-58.9-174.7174.100111.9S383 R384S383-E426 VanDerWaalsContact OG-CG 3.29Å; S383-E426 WeakPolarHBondContact OG-CG 3.42Å; S383-E426 PolarHBondContact OG-N 3.23Å; R384-E426 HydrophobicContact CG-CB 3.97Å; R384-E426 HydrophobicContact CG-CG 4Å; R384-E426 IonicContact CZ-OE2 3.59Å; R384-E426 VanDerWaalsContact NE-CD 3.31Å; R384-E426 IonicContact NE-OE1 3.78Å; R384-E426 IonicContact NE-OE2 3.21Å; R384-E426 PolarHBondContact NE-OE2 3.39Å; R384-E426 IonicContact NH2-OE1 3.89Å; R384-E426 IonicContact NH2-OE2 2.68Å; R384-E426 PolarHBondContact NH2-OE2 3.49Å
427V89Confident85.6Confident4 Ų459.6 Ų59.62%0.02434%0.344CS..EExtended strand (participates in β ladder)trans-120.1118.3-175.8-179.70000111.2L382 R384 V385 V386 A418 R419 L429L382-V427 HydrophobicContact CD1-CG2 3.89Å; L382-V427 HydrophobicContact CD2-CG2 4.13Å; R384-V427 PolarHBondContact O-N 3.15Å; V385-V427 CarbonylContact C-O 3.6Å; V385-V427 WeakPolarHBondContact CA-O 3.42Å; V385-V427 HydrophobicContact CG2-CB 4.37Å; V386-V427 PolarHBondContact N-O 2.81Å; A418-V427 HydrophobicContact CB-CG1 3.55Å; R419-V427 HydrophobicContact CG-CG2 3.61Å; V427-L429 HydrophobicContact CG1-CD2 3.69Å; V427-L429 HydrophobicContact CG1-CG 4.39Å
428I90.4Very high84Confident20 Ų2061.1 Ų61.110%0.10335%0.349CS..EExtended strand (participates in β ladder)trans-105.2118.6168.6-58.3175.9000108.6E106 V386 E430 H433E106-I428 HydrophobicContact CB-CD1 4.39Å; V386-I428 HydrophobicContact CB-CG1 4.38Å; I428-E430 PolarHBondContact O-N 3.18Å; I428-H433 PolarHBondContact O-CE1 2.81Å
429L93Very high82.1Confident0 Ų066.5 Ų66.50%037%0.368CS..EExtended strand (participates in β ladder)trans-85.9104.2178-59.6-174.1000109.5V385 V386 L387 S388 A391 A414 V415 A418 V427 F434V385-L429 HydrophobicContact CG1-CD1 3.92Å; V385-L429 HydrophobicContact CG1-CG 4.14Å; V386-L429 WeakPolarHBondContact O-CB 3.28Å; V386-L429 PolarHBondContact O-N 3.08Å; L387-L429 HydrophobicContact CD2-CB 4.02Å; L387-L429 HydrophobicContact CD2-CD1 3.82Å; L387-L429 HydrophobicContact CD2-CG 4.5Å; S388-L429 PolarHBondContact N-O 3Å; S388-L429 PolarHBondContact OG-O 3.49Å; A391-L429 WeakPolarHBondContact CB-O 3.47Å; A414-L429 HydrophobicContact CB-CD1 4.44Å; A414-L429 HydrophobicContact CB-CD2 4.04Å; V415-L429 HydrophobicContact CB-CD2 4.45Å; V415-L429 HydrophobicContact CG2-CD1 4Å; V415-L429 HydrophobicContact CG2-CD2 3.94Å; V415-L429 HydrophobicContact CG2-CG 4.49Å; A418-L429 HydrophobicContact CB-CD2 3.92Å; V427-L429 HydrophobicContact CG1-CD2 3.69Å; V427-L429 HydrophobicContact CG1-CG 4.39Å; L429-F434 HydrophobicContact CB-CE2 4.16Å; L429-F434 HydrophobicContact CB-CZ 4.29Å; L429-F434 HydrophobicContact CD1-CZ 4.26Å
430E92.2Very high80Confident60 Ų6068 Ų6828%0.2838%0.38SS..  trans-86.2157.5172.7-63.5-67.3-175.900112.6S388 I428 Q432 H433 F434S388-E430 VanDerWaalsContact CB-OE2 3.23Å; S388-E430 WeakPolarHBondContact CB-OE2 3.38Å; S388-E430 PolarHBondContact OG-OE2 2.86Å; I428-E430 PolarHBondContact O-N 3.18Å; E430-Q432 HydrophobicContact CB-CG 3.95Å; E430-Q432 PolarHBondContact O-N 2.98Å; E430-H433 PolarHBondContact N-ND1 3.32Å; E430-H433 WeakPolarHBondContact O-CB 3.38Å; E430-H433 PolarHBondContact O-N 2.9Å; E430-F434 WeakPolarHBondContact O-CD2 3.23Å
431A92.5Very high77.6Confident14 Ų1472 Ų7212%0.11638%0.381CS..G310 helixtrans-54.2-28.1176.900000113.1L394 H433 F434 R439L394-A431 HydrophobicContact CD2-CB 4.13Å; L394-A431 WeakPolarHBondContact CD2-O 3.47Å; A431-H433 VanDerWaalsContact C-N 3.3Å; A431-H433 PolarHBondContact O-N 3Å; A431-F434 PolarHBondContact O-N 2.96Å; A431-R439 PolarHBondContact O-NH1 3.11Å
432Q90.7Very high75.6Confident148 Ų14877.3 Ų77.369%0.69239%0.39SS*.G310 helixtrans-71.4-21.3179.367.8-176.727.800113.9E430 F434E430-Q432 HydrophobicContact CB-CG 3.95Å; E430-Q432 PolarHBondContact O-N 2.98Å; Q432-F434 PolarHBondContact O-N 3.17Å
433H93Very high74Confident12 Ų1274.4 Ų74.46%0.05639%0.389CS..G310 helixtrans-74.5-14.1177.3-53.8144.9000112.1A414 I428 E430 A431A414-H433 HydrophobicContact CB-CB 3.82Å; I428-H433 PolarHBondContact O-CE1 2.81Å; E430-H433 PolarHBondContact N-ND1 3.32Å; E430-H433 WeakPolarHBondContact O-CB 3.38Å; E430-H433 PolarHBondContact O-N 2.9Å; A431-H433 VanDerWaalsContact C-N 3.3Å; A431-H433 PolarHBondContact O-N 3Å
434F92.8Very high72.6Confident1 Ų171.6 Ų71.60%0.00437%0.37CS..  trans-99.197177.3-59.2-86.2000110.5L387 A391 L394 L395 A410 I411 A414 L429 E430 A431 Q432 F436L387-F434 HydrophobicContact CD2-CZ 4.11Å; A391-F434 HydrophobicContact CB-CD2 4.34Å; A391-F434 HydrophobicContact CB-CE2 3.71Å; L394-F434 HydrophobicContact CD2-CB 3.62Å; L394-F434 HydrophobicContact CD2-CD2 4.28Å; L394-F434 HydrophobicContact CD2-CG 4.22Å; L395-F434 HydrophobicContact CD1-CZ 4.33Å; L395-F434 HydrophobicContact CD2-CD1 4.05Å; L395-F434 HydrophobicContact CD2-CE1 3.91Å; L395-F434 HydrophobicContact CD2-CZ 4.41Å; A410-F434 HydrophobicContact CB-CD1 4.26Å; I411-F434 HydrophobicContact CD1-CE1 3.87Å; I411-F434 HydrophobicContact CD1-CZ 3.98Å; A414-F434 HydrophobicContact CB-CD1 4.02Å; A414-F434 HydrophobicContact CB-CD2 4.48Å; A414-F434 HydrophobicContact CB-CE1 3.61Å; A414-F434 HydrophobicContact CB-CE2 4.1Å; A414-F434 HydrophobicContact CB-CG 4.44Å; A414-F434 HydrophobicContact CB-CZ 3.66Å; L429-F434 HydrophobicContact CB-CE2 4.16Å; L429-F434 HydrophobicContact CB-CZ 4.29Å; L429-F434 HydrophobicContact CD1-CZ 4.26Å; E430-F434 WeakPolarHBondContact O-CD2 3.23Å; A431-F434 PolarHBondContact O-N 2.96Å; Q432-F434 PolarHBondContact O-N 3.17Å; F434-F436 HydrophobicContact CB-CD2 4.03Å; F434-F436 HydrophobicContact CB-CE2 3.69Å; F434-F436 HydrophobicContact CB-CZ 4.12Å; F434-F436 HydrophobicContact CD1-CE2 4.27Å; F434-F436 HydrophobicContact CD1-CZ 4.02Å; F434-F436 HydrophobicContact CG-CE2 4.22Å; F434-F436 HydrophobicContact CG-CZ 4.41Å; F434-F436 PolarHBondContact O-N 3.06Å; F434-F436 VanDerWaalsContact O-N 3.12Å
435A83Confident71.1Confident60 Ų6073.6 Ų73.650%0.49637%0.371SS..  trans-81.181.1170.900000110.8R413R413-A435 PolarHBondContact NH2-O 3.22Å
436F84.4Confident69.3Low7 Ų777 Ų773%0.03138%0.382CS..  trans-86.7140.7170.3-64.2-51.1000111.4L394 L395 Y398 F400 A410 F434 E438 R439L394-F436 HydrophobicContact CD1-CD2 4.21Å; L394-F436 HydrophobicContact CD2-CD2 3.89Å; L394-F436 HydrophobicContact CD2-CE2 3.92Å; L394-F436 HydrophobicContact CG-CD2 3.93Å; L394-F436 HydrophobicContact CG-CE2 3.93Å; L395-F436 HydrophobicContact CD2-CE2 4.05Å; L395-F436 HydrophobicContact CD2-CZ 3.83Å; Y398-F436 AromaticContact CD1-CD1 3.75Å; Y398-F436 HydrophobicContact CD1-CD1 3.75Å; Y398-F436 HydrophobicContact CD1-CD2 4.32Å; Y398-F436 AromaticContact CD1-CE1 3.78Å; Y398-F436 HydrophobicContact CD1-CE1 3.78Å; Y398-F436 HydrophobicContact CD1-CE2 4.33Å; Y398-F436 HydrophobicContact CD1-CG 4.05Å; Y398-F436 HydrophobicContact CD1-CZ 4.08Å; Y398-F436 HydrophobicContact CD2-CB 4.08Å; Y398-F436 HydrophobicContact CD2-CD1 4.5Å; Y398-F436 HydrophobicContact CD2-CD2 4.34Å; Y398-F436 HydrophobicContact CD2-CG 4.08Å; Y398-F436 AromaticContact CE1-CD1 3.56Å; Y398-F436 HydrophobicContact CE1-CD1 3.56Å; Y398-F436 AromaticContact CE1-CE1 3.87Å; Y398-F436 HydrophobicContact CE1-CE1 3.87Å; Y398-F436 HydrophobicContact CE1-CG 4.11Å; Y398-F436 HydrophobicContact CE2-CB 3.9Å; Y398-F436 HydrophobicContact CE2-CD1 4.38Å; Y398-F436 HydrophobicContact CE2-CG 4.18Å; Y398-F436 HydrophobicContact CG-CD1 4.22Å; Y398-F436 HydrophobicContact CG-CD2 4.06Å; Y398-F436 HydrophobicContact CG-CE1 4.46Å; Y398-F436 HydrophobicContact CG-CE2 4.3Å; Y398-F436 HydrophobicContact CG-CG 4.03Å; Y398-F436 AromaticContact CZ-CD1 3.92Å; F400-F436 HydrophobicContact CE1-CE1 4.14Å; F400-F436 AromaticContact CE1-CZ 3.95Å; F400-F436 HydrophobicContact CE1-CZ 3.95Å; F400-F436 HydrophobicContact CZ-CZ 4.18Å; A410-F436 HydrophobicContact CB-CE1 3.93Å; A410-F436 HydrophobicContact CB-CZ 4.15Å; F434-F436 HydrophobicContact CB-CD2 4.03Å; F434-F436 HydrophobicContact CB-CE2 3.69Å; F434-F436 HydrophobicContact CB-CZ 4.12Å; F434-F436 HydrophobicContact CD1-CE2 4.27Å; F434-F436 HydrophobicContact CD1-CZ 4.02Å; F434-F436 HydrophobicContact CG-CE2 4.22Å; F434-F436 HydrophobicContact CG-CZ 4.41Å; F434-F436 PolarHBondContact O-N 3.06Å; F434-F436 VanDerWaalsContact O-N 3.12Å; F436-E438 VanDerWaalsContact C-N 3.29Å; F436-E438 PolarHBondContact O-N 3.34Å; F436-R439 PolarHBondContact O-N 3.07Å
437P70.3Confident67.4Low78 Ų7879.8 Ų79.851%0.50640%0.399SS..Hα-helixtrans-58.5-34.7-175.4-22.831.7000114.3Y398 R439 Q440Y398-P437 WeakPolarHBondContact OH-CD 3.21Å; P437-R439 PolarHBondContact O-N 2.65Å; P437-Q440 PolarHBondContact O-N 2.78Å
438E59Low65.2Low110 Ų11085.9 Ų85.951%0.51443%0.425SS..Hα-helixtrans-65.8-23.8-176.9-71-178.4175.100113.3Y398 F436Y398-E438 HydrophobicContact CE2-CG 4.17Å; F436-E438 VanDerWaalsContact C-N 3.29Å; F436-E438 PolarHBondContact O-N 3.34Å
439R51.2Low63.4Low118 Ų11888.6 Ų88.645%0.44544%0.442SS..Hα-helixtrans-69.5-33.6172-103.7-176.9170.5-177.4-1.4112.7A431 F436 P437 K441 R442 S443A431-R439 PolarHBondContact O-NH1 3.11Å; F436-R439 PolarHBondContact O-N 3.07Å; P437-R439 PolarHBondContact O-N 2.65Å; R439-K441 VanDerWaalsContact C-N 3.35Å; R439-K441 PolarHBondContact O-N 3.04Å; R439-R442 PolarHBondContact O-N 3.13Å; R439-S443 PolarHBondContact O-N 3.33Å; R439-S443 PolarHBondContact O-OG 3.47Å; R439-S443 VanDerWaalsContact O-OG 3.13Å
440Q44.4Very low61.3Low138 Ų13898.2 Ų98.265%0.64548%0.479SS*.Hα-helixtrans-67.4-35.4-179.2-74.3-173.5-3.900112.1P437 S443 S444P437-Q440 PolarHBondContact O-N 2.78Å; Q440-S443 WeakPolarHBondContact CA-OG 3.38Å; Q440-S443 PolarHBondContact O-N 3.49Å; Q440-S443 PolarHBondContact O-OG 3.31Å; Q440-S444 WeakPolarHBondContact O-CB 3.45Å; Q440-S444 PolarHBondContact O-N 3.02Å; Q440-S444 PolarHBondContact O-OG 3.03Å
441K37.5Very low59.1Low169 Ų169101.1 Ų101.174%0.73549%0.492SS*.Hα-helixtrans-63.9-43.6174.8-79.7-175.4178.5177.70111.9R439 S444 V445R439-K441 VanDerWaalsContact C-N 3.35Å; R439-K441 PolarHBondContact O-N 3.04Å; K441-S444 PolarHBondContact O-N 3.5Å; K441-V445 WeakPolarHBondContact O-CG2 3.34Å; K441-V445 PolarHBondContact O-N 3.15Å; K441-V445 VanDerWaalsContact O-N 3.14Å
442R39.4Very low57Low211 Ų211107.4 Ų107.480%0.79651%0.513SS*.Hα-helixtrans-70.4-34.3178.4-84.4-177172.7178.8-0.8113.5R439 K446R439-R442 PolarHBondContact O-N 3.13Å; R442-K446 PolarHBondContact O-N 3.14Å; R442-K446 VanDerWaalsContact O-N 3.15Å
443S40.4Very low54.8Low63 Ų63106.2 Ų106.244%0.44151%0.507SS..Hα-helixtrans-70.3-37.8174.552.40000112.5R439 Q440 K446 L447R439-S443 PolarHBondContact O-N 3.33Å; R439-S443 PolarHBondContact O-OG 3.47Å; R439-S443 VanDerWaalsContact O-OG 3.13Å; Q440-S443 WeakPolarHBondContact CA-OG 3.38Å; Q440-S443 PolarHBondContact O-N 3.49Å; Q440-S443 PolarHBondContact O-OG 3.31Å; S443-K446 PolarHBondContact O-N 2.93Å; S443-L447 PolarHBondContact O-N 3.33Å
444S37.1Very low52.6Low78 Ų78112.5 Ų112.555%0.54553%0.534SS..Hα-helixtrans-65.1-38174.9-74.50000112.4Q440 K441 L447 F448Q440-S444 WeakPolarHBondContact O-CB 3.45Å; Q440-S444 PolarHBondContact O-N 3.02Å; Q440-S444 PolarHBondContact O-OG 3.03Å; K441-S444 PolarHBondContact O-N 3.5Å; S444-L447 PolarHBondContact O-N 2.89Å; S444-F448 VanDerWaalsContact O-CB 3.32Å; S444-F448 WeakPolarHBondContact O-CB 3.32Å; S444-F448 PolarHBondContact O-N 3.37Å
445V45.3Very low50.8Low91 Ų91117.1 Ų117.155%0.55256%0.558SS**Hα-helixtrans-66.6-41.1174.4176.20000111.4K441 L447 F448 V449K441-V445 WeakPolarHBondContact O-CG2 3.34Å; K441-V445 PolarHBondContact O-N 3.15Å; K441-V445 VanDerWaalsContact O-N 3.14Å; V445-L447 PolarHBondContact O-N 2.88Å; V445-F448 PolarHBondContact O-N 3.48Å; V445-V449 HydrophobicContact CG1-CG2 4.31Å; V445-V449 WeakPolarHBondContact O-CB 3.44Å; V445-V449 VanDerWaalsContact O-CG2 3.26Å; V445-V449 WeakPolarHBondContact O-CG2 3.38Å; V445-V449 PolarHBondContact O-N 2.87Å
446K44.5Very low49.4Very low158 Ų158120 Ų12069%0.68756%0.564SS**Hα-helixtrans-66-35.2174.7-79.3-173.2178.3-1780113R442 S443 R450R442-K446 PolarHBondContact O-N 3.14Å; R442-K446 VanDerWaalsContact O-N 3.15Å; S443-K446 PolarHBondContact O-N 2.93Å; K446-R450 WeakPolarHBondContact O-CB 3.26Å; K446-R450 WeakPolarHBondContact O-CG 3.47Å; K446-R450 PolarHBondContact O-N 3.01Å
447L44.9Very low47.9Very low135 Ų135124.6 Ų124.671%0.70759%0.593SS**Hα-helixtrans-68.1-41.2173.9-130.396.2000111.1S443 S444 V445 R450 H451S443-L447 PolarHBondContact O-N 3.33Å; S444-L447 PolarHBondContact O-N 2.89Å; V445-L447 PolarHBondContact O-N 2.88Å; L447-R450 PolarHBondContact O-N 2.91Å; L447-H451 VanDerWaalsContact O-CB 3.28Å; L447-H451 WeakPolarHBondContact O-CB 3.49Å; L447-H451 PolarHBondContact O-N 3.31Å
448F43.7Very low46.5Very low133 Ų133126.3 Ų126.358%0.58360%0.602SS**Hα-helixtrans-65.4-42.7177.5-158.3-100.5000111.6S444 V445 H451 W452S444-F448 VanDerWaalsContact O-CB 3.32Å; S444-F448 WeakPolarHBondContact O-CB 3.32Å; S444-F448 PolarHBondContact O-N 3.37Å; V445-F448 PolarHBondContact O-N 3.48Å; F448-H451 PolarHBondContact O-N 2.88Å; F448-W452 AromaticContact CD1-CD1 3.63Å; F448-W452 AromaticContact CD1-NE1 3.84Å; F448-W452 AromaticContact CE1-CD1 3.46Å; F448-W452 VanDerWaalsContact CE1-CD1 3.46Å; F448-W452 AromaticContact CE1-NE1 3.14Å; F448-W452 AromaticContact CZ-CD1 3.93Å; F448-W452 AromaticContact CZ-NE1 3.38Å; F448-W452 WeakPolarHBondContact O-CB 3.28Å; F448-W452 PolarHBondContact O-N 3.36Å
449V52.9Low45.4Very low76 Ų76123.4 Ų123.446%0.46160%0.601SS.*Hα-helixtrans-67.4-38.8175.9173.30000111.9V445 H453V445-V449 HydrophobicContact CG1-CG2 4.31Å; V445-V449 WeakPolarHBondContact O-CB 3.44Å; V445-V449 VanDerWaalsContact O-CG2 3.26Å; V445-V449 WeakPolarHBondContact O-CG2 3.38Å; V445-V449 PolarHBondContact O-N 2.87Å; V449-H453 WeakPolarHBondContact O-CB 3.38Å; V449-H453 PolarHBondContact O-N 3.41Å
450R47.9Very low44.6Very low203 Ų203125.9 Ų125.977%0.76662%0.622SS**Hα-helixtrans-68.5-36.2174-81.3-177.5172.1-177.6-2.2112.6K446 L447 K454K446-R450 WeakPolarHBondContact O-CB 3.26Å; K446-R450 WeakPolarHBondContact O-CG 3.47Å; K446-R450 PolarHBondContact O-N 3.01Å; L447-R450 PolarHBondContact O-N 2.91Å; R450-K454 PolarHBondContact O-N 3.34Å
451H46Very low44.3Very low121 Ų121125.3 Ų125.356%0.5663%0.631SS**Hα-helixtrans-69-40.8175.6-164.179.7000111.2L447 F448 K454 I455L447-H451 VanDerWaalsContact O-CB 3.28Å; L447-H451 WeakPolarHBondContact O-CB 3.49Å; L447-H451 PolarHBondContact O-N 3.31Å; F448-H451 PolarHBondContact O-N 2.88Å; H451-K454 PolarHBondContact O-N 3.03Å; H451-I455 WeakPolarHBondContact O-CG1 3.36Å; H451-I455 PolarHBondContact O-N 3.04Å
452W48.4Very low44Very low146 Ų146121.7 Ų121.755%0.55363%0.632SS**Hα-helixtrans-64.7-42.8173.1-94.278.1000113.2F448 K454 I455 I456F448-W452 AromaticContact CD1-CD1 3.63Å; F448-W452 AromaticContact CD1-NE1 3.84Å; F448-W452 AromaticContact CE1-CD1 3.46Å; F448-W452 VanDerWaalsContact CE1-CD1 3.46Å; F448-W452 AromaticContact CE1-NE1 3.14Å; F448-W452 AromaticContact CZ-CD1 3.93Å; F448-W452 AromaticContact CZ-NE1 3.38Å; F448-W452 WeakPolarHBondContact O-CB 3.28Å; F448-W452 PolarHBondContact O-N 3.36Å; W452-K454 VanDerWaalsContact C-N 3.34Å; W452-K454 PolarHBondContact O-N 3.12Å; W452-I455 PolarHBondContact O-N 2.88Å; W452-I456 HydrophobicContact CE3-CD1 4.34Å; W452-I456 WeakPolarHBondContact O-CG1 3.43Å; W452-I456 PolarHBondContact O-N 3.08Å
453H45.4Very low43.7Very low122 Ų122123.7 Ų123.757%0.56564%0.64SS**Hα-helixtrans-62.9-39.9173.9-101.166000112V449 I456 T457V449-H453 WeakPolarHBondContact O-CB 3.38Å; V449-H453 PolarHBondContact O-N 3.41Å; H453-I456 PolarHBondContact O-N 2.95Å; H453-T457 PolarHBondContact O-N 3.29Å; H453-T457 PolarHBondContact O-OG1 3.36Å
454K46.8Very low43.4Very low145 Ų145124.4 Ų124.463%0.6366%0.656SS**Hα-helixtrans-61-47.1175.7-120.7179.6-180-176.40111.4R450 H451 W452 I456 T457 T458R450-K454 PolarHBondContact O-N 3.34Å; H451-K454 PolarHBondContact O-N 3.03Å; W452-K454 VanDerWaalsContact C-N 3.34Å; W452-K454 PolarHBondContact O-N 3.12Å; K454-I456 VanDerWaalsContact C-N 3.29Å; K454-I456 PolarHBondContact O-N 3.47Å; K454-T457 WeakPolarHBondContact CA-OG1 3.33Å; K454-T457 PolarHBondContact O-N 3.06Å; K454-T457 VanDerWaalsContact O-N 3.12Å; K454-T457 PolarHBondContact O-OG1 2.8Å; K454-T457 VanDerWaalsContact O-OG1 3.08Å; K454-T458 PolarHBondContact O-N 2.93Å; K454-T458 PolarHBondContact O-OG1 3.35Å
455I53.7Low43Very low97 Ų97126.3 Ų126.350%0.49767%0.669SS.*Hα-helixtrans-59.9-38.7177.7-69168.2000111.6H451 W452H451-I455 WeakPolarHBondContact O-CG1 3.36Å; H451-I455 PolarHBondContact O-N 3.04Å; W452-I455 PolarHBondContact O-N 2.88Å
456I53.5Low42.4Very low122 Ų122134.3 Ų134.363%0.62669%0.689SS**Hα-helixtrans-70.9-33.4176.9-65.9167.6000111.9W452 H453 K454W452-I456 HydrophobicContact CE3-CD1 4.34Å; W452-I456 WeakPolarHBondContact O-CG1 3.43Å; W452-I456 PolarHBondContact O-N 3.08Å; H453-I456 PolarHBondContact O-N 2.95Å; K454-I456 VanDerWaalsContact C-N 3.29Å; K454-I456 PolarHBondContact O-N 3.47Å
457T53.2Low41.8Very low103 Ų103136.4 Ų136.463%0.63270%0.698SS**Hα-helixtrans-87.4-18.9-178.750.80000115.5H453 K454H453-T457 PolarHBondContact O-N 3.29Å; H453-T457 PolarHBondContact O-OG1 3.36Å; K454-T457 WeakPolarHBondContact CA-OG1 3.33Å; K454-T457 PolarHBondContact O-N 3.06Å; K454-T457 VanDerWaalsContact O-N 3.12Å; K454-T457 PolarHBondContact O-OG1 2.8Å; K454-T457 VanDerWaalsContact O-OG1 3.08Å
458T42Very low41.3Very low114 Ų114135.5 Ų135.570%0.69970%0.7SS**SBendtrans-127.139.1-173.5530000114.6K454K454-T458 PolarHBondContact O-N 2.93Å; K454-T458 PolarHBondContact O-OG1 3.35Å
459G34.3Very low40.9Very low48 Ų48135.6 Ų135.650%0.49571%0.712SS.*  trans-169.188.2172.600000114.8
460L36Very low39.9Very low170 Ų170137.5 Ų137.589%0.8973%0.729SS**  trans-179.8105139.1-98.3145.6000110.2
461P37Very low39.2Very low127 Ų127133.6 Ų133.683%0.82573%0.73SS**  trans-75.3121.1158.229-27.3000109R463P461-R463 PolarHBondContact O-N 3.42Å
462A30.6Very low38.6Very low92 Ų92134.3 Ų134.376%0.7674%0.743SS**  trans-64.5123.6173.200000110.9
463R33.5Very low37.7Very low254 Ų254133.7 Ų133.796%0.95876%0.76SS**  trans-175.9118.3147.8-102.8172.4-142.3-140.37.2110.3P461P461-R463 PolarHBondContact O-N 3.42Å
464G34.1Very low37.3Very low77 Ų77136.4 Ų136.479%0.79478%0.776SS**  trans140.8104.5164.400000113.2
465C28.5Very low36.4Very low119 Ų119132.1 Ų132.180%0.80477%0.773SS**  trans-34.8146.9169.1-64.20000113.1
466W32.5Very low35.3Very low258 Ų258140.5 Ų140.598%0.97780%0.799SS**  -160.8150.684.2-96.255.4000111
467K33.9Very low34.2Very low202 Ų202145.9 Ų145.988%0.87881%0.811SS**  trans-70.6163.2-167.6-83-178.5175.3-1770115.4
468P33.8Very low33.1Very low116 Ų116148.4 Ų148.475%0.75382%0.821SS**  trans-100.2149.4-169.737.9-29.9000113.8
469T36Very low32.6Very low135 Ų135149.4 Ų149.483%0.82883%0.827SS**  trans-147.3125.5158.839.40000112.9
470S31Very low32.6Very low116 Ų116159.6 Ų159.681%0.81185%0.85SS**  trans91.7138.9156770000120.9
471P34Very low32.7Very low121 Ų121163 Ų16379%0.78687%0.869SS**  trans-119.8114.3-163.633.9-12.9000112.8
472T31.9Very low32.5Very low136 Ų136164.8 Ų164.883%0.83487%0.872SS**  trans-152.8111.3165.336.70000109.4
473C30.1Very low32.6Very low134 Ų134168.6 Ų168.691%0.90588%0.878SS**  trans169.190.3141-90.70000108.6
474I36.6Very low32.5Very low179 Ų179163.9 Ų163.992%0.91887%0.873SS**  trans-74.4129.5166.5-74.7163.2000108.2
475G29Very low32.4Very low55 Ų55169 Ų16957%0.56788%0.878SS**  9486.1128.700000118.5
476W30.3Very low32.7Very low273 Ų273172.1 Ų172.1100%1.03488%0.882SS**  trans-139.488.3138-82.573.2000108.1
477R29.6Very low32.7Very low234 Ų234166.4 Ų166.488%0.88388%0.876SS**  trans-124.7123.5159.3-101.4-173.6-168.3-154.63.2105.9
478N30.9Very low32.6Very low157 Ų157163.9 Ų163.984%0.8488%0.876SS**  trans137.488.6155.9-70.4-6.1000111
479V31Very low32.5Very low135 Ų135167.5 Ų167.582%0.81889%0.885SS**  trans-157.382.5140.7-177.10000106.6
480W33.3Very low32.2Very low261 Ų261170.3 Ų170.399%0.98989%0.89SS**  trans-163.482.1156.3-77.194.8000106.3
481D39.1Very low32.3Very low242 Ų242175.2 Ų175.2100%1.29490%0.897SS**  trans-139.30152.4-96.4-22.1000107

Retrieved 481 of 481 residues in 489.1 ms (Link to these results)

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