A0A077ZIC3_TRITR Loading...

Large ribosomal subunit protein uL1

AlphaFold DB , UniProt , Accession A0A077ZIC3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 680 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.1Very low76Confident231 Ų231102.3 Ų102.3100%1.13852%0.518SS*.  0127.90-72.4-162.8-88.100108.7K3M1-K3 PolarHBondContact O-N 3.08Å
2S55.6Low76.8Confident72 Ų7296.8 Ų96.850%0.50350%0.5SS..  trans-65.2127.3175.851.50000109I4S2-I4 PolarHBondContact O-N 3.3Å
3K70.2Confident77.7Confident166 Ų16689.5 Ų89.572%0.72246%0.462SS*.SBendtrans-69.7-11.9174.9-85.1-159.3171.3-164.30113.3M1 W197M1-K3 PolarHBondContact O-N 3.08Å; K3-W197 HydrophobicContact CB-CD2 4.04Å; K3-W197 HydrophobicContact CB-CE3 4.12Å; K3-W197 HydrophobicContact CB-CH2 4.36Å; K3-W197 HydrophobicContact CB-CZ2 4.29Å; K3-W197 HydrophobicContact CB-CZ3 4.27Å; K3-W197 HydrophobicContact CD-CB 4.3Å; K3-W197 HydrophobicContact CD-CD2 4.42Å; K3-W197 HydrophobicContact CD-CG 4.24Å; K3-W197 HydrophobicContact CG-CD2 4.2Å; K3-W197 HydrophobicContact CG-CG 4.25Å
4I78.6Confident78.3Confident48 Ų4887 Ų8725%0.24645%0.45CS..SBendtrans-93.1121.9-178.1-55.9172.2000107.7S2 V8 L9 I186 W197S2-I4 PolarHBondContact O-N 3.3Å; I4-V8 HydrophobicContact CG2-CB 4.47Å; I4-V8 HydrophobicContact CG2-CG1 4.36Å; I4-L9 HydrophobicContact CG2-CB 4.21Å; I4-L9 HydrophobicContact CG2-CD1 3.96Å; I4-I186 HydrophobicContact CD1-CD1 3.57Å; I4-I186 HydrophobicContact CD1-CG2 4.22Å; I4-W197 HydrophobicContact CD1-CH2 3.74Å; I4-W197 HydrophobicContact CD1-CZ3 3.95Å; I4-W197 HydrophobicContact CG1-CH2 3.78Å; I4-W197 HydrophobicContact CG1-CZ3 3.97Å
5T81.6Confident78.8Confident78 Ų7887.5 Ų87.548%0.47946%0.459SS..  trans-72.5154.9174.255.90000110.1D7 V8 L9T5-D7 PolarHBondContact O-N 2.81Å; T5-V8 PolarHBondContact O-N 3.22Å; T5-V8 WeakPolarHBondContact OG1-CG2 3.5Å; T5-L9 PolarHBondContact O-N 3.31Å
6R81.7Confident79.2Confident170 Ų17083.3 Ų83.364%0.64244%0.438SS*.Hα-helixtrans-58.5-40.6180-167-178.8175.9160.6-1.6111.5L9 I10 M179R6-L9 PolarHBondContact O-N 2.92Å; R6-I10 HydrophobicContact CG-CD1 4.03Å; R6-I10 WeakPolarHBondContact O-CG1 3.15Å; R6-I10 PolarHBondContact O-N 3.45Å; R6-M179 HydrophobicContact CG-CE 3.45Å; R6-M179 VanDerWaalsContact CG-CE 3.45Å
7D84Confident79.5Confident108 Ų10880.1 Ų80.158%0.57842%0.421SS*.Hα-helixtrans-66.5-45-175.2-50.7-39000112T5 L9 I10 D11T5-D7 PolarHBondContact O-N 2.81Å; D7-L9 PolarHBondContact O-N 3.1Å; D7-I10 PolarHBondContact O-N 3.06Å; D7-I10 VanDerWaalsContact O-N 3.14Å; D7-D11 PolarHBondContact O-N 3.05Å
8V84.9Confident79.6Confident85 Ų8581.6 Ų81.652%0.51543%0.425SS..Hα-helixtrans-58.9-36.8177170.60000111.5I4 T5 A12I4-V8 HydrophobicContact CG2-CB 4.47Å; I4-V8 HydrophobicContact CG2-CG1 4.36Å; T5-V8 PolarHBondContact O-N 3.22Å; T5-V8 WeakPolarHBondContact OG1-CG2 3.5Å; V8-A12 WeakPolarHBondContact O-CB 3.38Å; V8-A12 PolarHBondContact O-N 3.39Å; V8-A12 VanDerWaalsContact O-N 3.08Å
9L84.8Confident79.4Confident23 Ų2379.3 Ų79.312%0.1242%0.424CS..Hα-helixtrans-74.4-37.6-178.8-154.2143.4000111.3I4 T5 R6 D7 I13 M179 I182I4-L9 HydrophobicContact CG2-CB 4.21Å; I4-L9 HydrophobicContact CG2-CD1 3.96Å; T5-L9 PolarHBondContact O-N 3.31Å; R6-L9 PolarHBondContact O-N 2.92Å; D7-L9 PolarHBondContact O-N 3.1Å; L9-I13 HydrophobicContact CD2-CD1 3.66Å; L9-I13 HydrophobicContact CD2-CG1 4.49Å; L9-I13 WeakPolarHBondContact O-CD1 3.39Å; L9-I13 VanDerWaalsContact O-CG1 3.24Å; L9-I13 WeakPolarHBondContact O-CG1 3.42Å; L9-I13 PolarHBondContact O-N 3.03Å; L9-I13 VanDerWaalsContact O-N 3.1Å; L9-M179 HydrophobicContact CD2-CB 4.05Å; L9-M179 HydrophobicContact CD2-CE 4.42Å; L9-M179 HydrophobicContact CD2-CG 3.61Å; L9-I182 HydrophobicContact CD1-CB 4.49Å; L9-I182 HydrophobicContact CD1-CG2 3.69Å; L9-I182 HydrophobicContact CD2-CB 4.2Å; L9-I182 HydrophobicContact CD2-CD1 4.02Å; L9-I182 HydrophobicContact CD2-CG2 4.13Å; L9-I182 HydrophobicContact CG-CG2 4.12Å
10I87.2Confident79Confident44 Ų4475.8 Ų75.823%0.22641%0.407CS..Hα-helixtrans-63.8-47.6173-70.6167.8000110.5R6 D7 A12 I13 N14 M179R6-I10 HydrophobicContact CG-CD1 4.03Å; R6-I10 WeakPolarHBondContact O-CG1 3.15Å; R6-I10 PolarHBondContact O-N 3.45Å; D7-I10 PolarHBondContact O-N 3.06Å; D7-I10 VanDerWaalsContact O-N 3.14Å; I10-A12 VanDerWaalsContact C-N 3.33Å; I10-A12 PolarHBondContact O-N 3.35Å; I10-I13 PolarHBondContact O-N 3.29Å; I10-N14 WeakPolarHBondContact CG2-ND2 3.29Å; I10-N14 WeakPolarHBondContact O-CB 3.2Å; I10-N14 VanDerWaalsContact O-CG 3.25Å; I10-N14 PolarHBondContact O-N 3.27Å; I10-N14 PolarHBondContact O-ND2 2.83Å; I10-M179 HydrophobicContact CD1-CE 4.03Å; I10-M179 HydrophobicContact CD1-SD 4.08Å; I10-M179 HydrophobicContact CG1-CE 3.7Å; I10-M179 HydrophobicContact CG1-SD 3.49Å; I10-M179 WeakPolarHBondContact CG1-SD 3.2Å
11D86.7Confident78.6Confident100 Ų10078.9 Ų78.954%0.53542%0.418SS..Hα-helixtrans-61.2-42.4180-73.6-12.6000111.8D7 N14 T15D7-D11 PolarHBondContact O-N 3.05Å; D11-N14 PolarHBondContact O-N 3.15Å; D11-T15 WeakPolarHBondContact O-CB 3.35Å; D11-T15 PolarHBondContact O-N 2.94Å; D11-T15 PolarHBondContact O-OG1 3.4Å
12A85.5Confident80.1Confident36 Ų3676.2 Ų76.230%0.29840%0.401SS..Hα-helixtrans-63.2-44.1176.500000112.1V8 I10 T15 V16 L205V8-A12 WeakPolarHBondContact O-CB 3.38Å; V8-A12 PolarHBondContact O-N 3.39Å; V8-A12 VanDerWaalsContact O-N 3.08Å; I10-A12 VanDerWaalsContact C-N 3.33Å; I10-A12 PolarHBondContact O-N 3.35Å; A12-T15 PolarHBondContact O-N 2.81Å; A12-V16 VanDerWaalsContact O-CG2 3.27Å; A12-V16 WeakPolarHBondContact O-CG2 3.45Å; A12-V16 PolarHBondContact O-N 3.5Å; A12-L205 HydrophobicContact CB-CD1 3.98Å
13I88.3Confident80.6Confident2 Ų280.1 Ų80.11%0.0141%0.408CS..Hα-helixtrans-63-47.4176.2-68.2163.9000110.5L9 I10 T15 V16 L17 T175 L178 M179 I182 L205L9-I13 HydrophobicContact CD2-CD1 3.66Å; L9-I13 HydrophobicContact CD2-CG1 4.49Å; L9-I13 WeakPolarHBondContact O-CD1 3.39Å; L9-I13 VanDerWaalsContact O-CG1 3.24Å; L9-I13 WeakPolarHBondContact O-CG1 3.42Å; L9-I13 PolarHBondContact O-N 3.03Å; L9-I13 VanDerWaalsContact O-N 3.1Å; I10-I13 PolarHBondContact O-N 3.29Å; I13-T15 VanDerWaalsContact C-N 3.3Å; I13-T15 PolarHBondContact O-N 3.03Å; I13-V16 PolarHBondContact O-N 2.87Å; I13-L17 HydrophobicContact CG2-CD1 3.67Å; I13-L17 HydrophobicContact CG2-CG 4.09Å; I13-L17 WeakPolarHBondContact O-CG 3.22Å; I13-L17 PolarHBondContact O-N 3.32Å; I13-T175 HydrophobicContact CB-CG2 4.3Å; I13-T175 HydrophobicContact CD1-CG2 4.19Å; I13-T175 HydrophobicContact CG2-CG2 3.92Å; I13-L178 HydrophobicContact CD1-CB 3.9Å; I13-L178 HydrophobicContact CG1-CB 4.31Å; I13-L178 HydrophobicContact CG2-CB 4.33Å; I13-L178 HydrophobicContact CG2-CD1 3.67Å; I13-M179 HydrophobicContact CD1-CB 4.31Å; I13-M179 HydrophobicContact CD1-CG 3.4Å; I13-M179 VanDerWaalsContact CD1-CG 3.4Å; I13-I182 HydrophobicContact CD1-CD1 3.76Å; I13-I182 HydrophobicContact CG1-CD1 3.74Å; I13-L205 HydrophobicContact CG1-CD1 4Å
14N86.5Confident80Confident55 Ų5581.2 Ų81.229%0.29441%0.413SS..Hα-helixtrans-61.5-40.6-179.2-72.3-19.9000111.5I10 D11 V16 L17 Q18I10-N14 WeakPolarHBondContact CG2-ND2 3.29Å; I10-N14 WeakPolarHBondContact O-CB 3.2Å; I10-N14 VanDerWaalsContact O-CG 3.25Å; I10-N14 PolarHBondContact O-N 3.27Å; I10-N14 PolarHBondContact O-ND2 2.83Å; D11-N14 PolarHBondContact O-N 3.15Å; N14-V16 VanDerWaalsContact C-N 3.34Å; N14-V16 PolarHBondContact O-N 3.16Å; N14-L17 PolarHBondContact O-N 3.48Å; N14-Q18 VanDerWaalsContact O-CB 3.29Å; N14-Q18 WeakPolarHBondContact O-CB 3.47Å; N14-Q18 WeakPolarHBondContact O-CG 3.17Å; N14-Q18 PolarHBondContact O-N 3.38Å
15T85.9Confident79.2Confident95 Ų9584.7 Ų84.758%0.58342%0.423SS*.Hα-helixtrans-60-44.7176.7-58.10000111.6D11 A12 I13 G19D11-T15 WeakPolarHBondContact O-CB 3.35Å; D11-T15 PolarHBondContact O-N 2.94Å; D11-T15 PolarHBondContact O-OG1 3.4Å; A12-T15 PolarHBondContact O-N 2.81Å; I13-T15 VanDerWaalsContact C-N 3.3Å; I13-T15 PolarHBondContact O-N 3.03Å; T15-G19 PolarHBondContact O-N 3.19Å
16V85.3Confident78.5Confident19 Ų1991.6 Ų91.612%0.11545%0.447CS..Hα-helixtrans-66.9-45.3179.2166.50000111.3A12 I13 N14 G19 A20 V31 L205 V207A12-V16 VanDerWaalsContact O-CG2 3.27Å; A12-V16 WeakPolarHBondContact O-CG2 3.45Å; A12-V16 PolarHBondContact O-N 3.5Å; I13-V16 PolarHBondContact O-N 2.87Å; N14-V16 VanDerWaalsContact C-N 3.34Å; N14-V16 PolarHBondContact O-N 3.16Å; V16-G19 PolarHBondContact O-N 3.03Å; V16-A20 PolarHBondContact O-N 3.2Å; V16-V31 HydrophobicContact CG1-CG1 4.11Å; V16-V31 HydrophobicContact CG1-CG2 4.27Å; V16-L205 HydrophobicContact CG2-CB 3.74Å; V16-L205 VanDerWaalsContact CG2-O 3.31Å; V16-L205 WeakPolarHBondContact CG2-O 3.47Å; V16-V207 HydrophobicContact CB-CG2 4.34Å; V16-V207 HydrophobicContact CG1-CG2 3.23Å
17L84.3Confident77.8Confident29 Ų2986.7 Ų86.715%0.15243%0.43CS..Hα-helixtrans-65.2-43.6178-68178.3000111.8I13 N14 G19 A20 E21 V171 L178I13-L17 HydrophobicContact CG2-CD1 3.67Å; I13-L17 HydrophobicContact CG2-CG 4.09Å; I13-L17 WeakPolarHBondContact O-CG 3.22Å; I13-L17 PolarHBondContact O-N 3.32Å; N14-L17 PolarHBondContact O-N 3.48Å; L17-G19 VanDerWaalsContact C-N 3.34Å; L17-G19 PolarHBondContact O-N 3.38Å; L17-A20 PolarHBondContact O-N 2.95Å; L17-E21 PolarHBondContact O-N 3.26Å; L17-V171 HydrophobicContact CD2-CB 4.36Å; L17-V171 HydrophobicContact CD2-CG1 3.96Å; L17-V171 WeakPolarHBondContact CD2-O 3.41Å; L17-L178 HydrophobicContact CD1-CD1 4.33Å; L17-L178 HydrophobicContact CD2-CD1 4.25Å
18Q80.9Confident77.2Confident107 Ų10786.8 Ų86.850%0.542%0.422SS..Hα-helixtrans-64.1-38.2174.8-73.1175.512.800112.2N14 A20 E21 K22N14-Q18 VanDerWaalsContact O-CB 3.29Å; N14-Q18 WeakPolarHBondContact O-CB 3.47Å; N14-Q18 WeakPolarHBondContact O-CG 3.17Å; N14-Q18 PolarHBondContact O-N 3.38Å; Q18-A20 VanDerWaalsContact C-N 3.34Å; Q18-E21 PolarHBondContact O-N 2.89Å; Q18-K22 WeakPolarHBondContact O-CG 3.42Å; Q18-K22 PolarHBondContact O-N 3.36Å
19G76.2Confident77Confident39 Ų3983.4 Ų83.440%0.40240%0.401SS..Hα-helixtrans-61.6-41.6175.600000112.6T15 V16 L17 K22 K23T15-G19 PolarHBondContact O-N 3.19Å; V16-G19 PolarHBondContact O-N 3.03Å; L17-G19 VanDerWaalsContact C-N 3.34Å; L17-G19 PolarHBondContact O-N 3.38Å; G19-K22 PolarHBondContact O-N 3.26Å; G19-K23 PolarHBondContact O-N 2.89Å
20A71.6Confident77Confident9 Ų982.5 Ų82.57%0.07440%0.396CS..Hα-helixtrans-66.1-37.2174.600000112.5V16 L17 Q18 K23 K24 E29 V171V16-A20 PolarHBondContact O-N 3.2Å; L17-A20 PolarHBondContact O-N 2.95Å; Q18-A20 VanDerWaalsContact C-N 3.34Å; A20-K23 CarbonylContact O-C 3.46Å; A20-K23 VanDerWaalsContact O-C 3.27Å; A20-K23 PolarHBondContact O-N 3.45Å; A20-K24 PolarHBondContact O-N 2.87Å; A20-E29 VanDerWaalsContact CB-OE2 3.28Å; A20-E29 WeakPolarHBondContact CB-OE2 3.47Å; A20-V171 HydrophobicContact CB-CB 4.47Å; A20-V171 HydrophobicContact CB-CG1 3.76Å; A20-V171 HydrophobicContact CB-CG2 3.81Å
21E70.6Confident77.2Confident140 Ų14080.5 Ų80.565%0.65439%0.386SS*.Hα-helixtrans-65-40.3175.2-76.8-172160.700113L17 Q18 K23L17-E21 PolarHBondContact O-N 3.26Å; Q18-E21 PolarHBondContact O-N 2.89Å; E21-K23 VanDerWaalsContact C-N 3.26Å; E21-K23 PolarHBondContact O-N 3.32Å
22K72.4Confident77.4Confident176 Ų17677.3 Ų77.377%0.76537%0.368SS*.Hα-helixtrans-64.1-30178.3-73.5178.6-178178.90112.8Q18 G19Q18-K22 WeakPolarHBondContact O-CG 3.42Å; Q18-K22 PolarHBondContact O-N 3.36Å; G19-K22 PolarHBondContact O-N 3.26Å
23K65.3Low77.7Confident153 Ų15375.8 Ų75.867%0.66536%0.355SS*.THydrogen-bonded Turntrans-119.863.5177.6-71-174178.8179.60111G19 A20 E21 R25G19-K23 PolarHBondContact O-N 2.89Å; A20-K23 CarbonylContact O-C 3.46Å; A20-K23 VanDerWaalsContact O-C 3.27Å; A20-K23 PolarHBondContact O-N 3.45Å; E21-K23 VanDerWaalsContact C-N 3.26Å; E21-K23 PolarHBondContact O-N 3.32Å; K23-R25 WeakPolarHBondContact O-CG 3.34Å; K23-R25 PolarHBondContact O-N 3.4Å
24K57Low77.8Confident189 Ų18978.9 Ų78.982%0.82237%0.369SS*.  trans-51.8112.2176.4-86.4-176.7178.9176.50111.9A20A20-K24 PolarHBondContact O-N 2.87Å
25R63.1Low77.9Confident122 Ų12276.3 Ų76.346%0.4636%0.356SS..  trans-96.7156.7172.6-53.1-166.3-170.5-168.40.5110.5K23 F27 E29K23-R25 WeakPolarHBondContact O-CG 3.34Å; K23-R25 PolarHBondContact O-N 3.4Å; R25-F27 HydrophobicContact CB-CD1 4.39Å; R25-F27 HydrophobicContact CB-CE1 4.1Å; R25-F27 HydrophobicContact CB-CE2 4.3Å; R25-F27 HydrophobicContact CB-CZ 4.05Å; R25-F27 HydrophobicContact CG-CZ 4.42Å; R25-F27 PolarHBondContact O-N 3.08Å; R25-F27 VanDerWaalsContact O-N 3.1Å; R25-E29 WeakPolarHBondContact CD-OE1 2.95Å; R25-E29 IonicContact CZ-OE1 2.8Å; R25-E29 IonicContact NE-OE1 2.9Å; R25-E29 PolarHBondContact NE-OE1 3.2Å
26K67.1Low78.1Confident223 Ų22372.5 Ų72.597%0.9733%0.332SS*.SBendtrans-71.22.4179.3-66.3-173179.4-176.90114.3
27F66.5Low78.3Confident67 Ų6771.8 Ų71.829%0.29433%0.327SS..SBendtrans-134.9155.2-179.255-97.7000110.8R25 E29 P209 A213R25-F27 HydrophobicContact CB-CD1 4.39Å; R25-F27 HydrophobicContact CB-CE1 4.1Å; R25-F27 HydrophobicContact CB-CE2 4.3Å; R25-F27 HydrophobicContact CB-CZ 4.05Å; R25-F27 HydrophobicContact CG-CZ 4.42Å; R25-F27 PolarHBondContact O-N 3.08Å; R25-F27 VanDerWaalsContact O-N 3.1Å; F27-E29 HydrophobicContact CD2-CG 4.25Å; F27-E29 HydrophobicContact CE2-CG 3.97Å; F27-E29 PolarHBondContact O-N 3.26Å; F27-P209 HydrophobicContact CE2-CB 3.4Å; F27-P209 VanDerWaalsContact CE2-CB 3.4Å; F27-P209 HydrophobicContact CZ-CB 3.45Å; F27-P209 VanDerWaalsContact CZ-CB 3.45Å; F27-A213 HydrophobicContact CE1-CB 4.42Å
28R71.5Confident78.6Confident110 Ų11074.4 Ų74.442%0.41534%0.338SS..PPolyproline II helixtrans-74.8119.4178-157-179-162-170.56.9109.3H170 G172 N210R28-H170 PolarHBondContact NE-ND1 3.33Å; R28-H170 PolarHBondContact NH1-CE1 2.9Å; R28-H170 VanDerWaalsContact NH1-CE1 3.32Å; R28-H170 PolarHBondContact NH1-NE2 2.81Å; R28-H170 PolarHBondContact NH2-CE1 3.3Å; R28-H170 PolarHBondContact NH2-ND1 3.36Å; R28-G172 PolarHBondContact NH2-O 2.83Å; R28-G172 VanDerWaalsContact NH2-O 3.08Å; R28-N210 PolarHBondContact O-ND2 2.96Å
29E80.4Confident79Confident13 Ų1374.8 Ų74.86%0.06134%0.343CS..PPolyproline II helixtrans-83.1149.1-177.2-53.1171.6119.500111.5A20 R25 F27 H170 V171 V207A20-E29 VanDerWaalsContact CB-OE2 3.28Å; A20-E29 WeakPolarHBondContact CB-OE2 3.47Å; R25-E29 WeakPolarHBondContact CD-OE1 2.95Å; R25-E29 IonicContact CZ-OE1 2.8Å; R25-E29 IonicContact NE-OE1 2.9Å; R25-E29 PolarHBondContact NE-OE1 3.2Å; F27-E29 HydrophobicContact CD2-CG 4.25Å; F27-E29 HydrophobicContact CE2-CG 3.97Å; F27-E29 PolarHBondContact O-N 3.26Å; E29-H170 WeakPolarHBondContact O-CA 3.35Å; E29-H170 WeakPolarHBondContact O-CB 3.05Å; E29-V171 HydrophobicContact CB-CG2 3.83Å; E29-V171 PolarHBondContact O-N 3.07Å; E29-V171 VanDerWaalsContact O-N 3.12Å; E29-V207 HydrophobicContact CB-CG1 3.2Å; E29-V207 HydrophobicContact CG-CG1 3.85Å; E29-V207 WeakPolarHBondContact OE2-CG1 3.22Å
30T85.4Confident79.3Confident5 Ų573.6 Ų73.63%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-94.9135179-64.20000109E32 R59 A167 G169 V208 N210T30-E32 HydrophobicContact CG2-CG 4.14Å; T30-R59 HydrophobicContact CG2-CG 4.26Å; T30-A167 HydrophobicContact CG2-CB 3.56Å; T30-G169 WeakPolarHBondContact CG2-O 3.3Å; T30-V208 PolarHBondContact N-O 3.39Å; T30-V208 PolarHBondContact O-N 2.93Å; T30-N210 PolarHBondContact OG1-OD1 3.12Å
31V90.1Very high79.9Confident2 Ų275.4 Ų75.41%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-89.9120.1172.2-174.10000108V16 I168 G169 V171 L178V16-V31 HydrophobicContact CG1-CG1 4.11Å; V16-V31 HydrophobicContact CG1-CG2 4.27Å; V31-I168 HydrophobicContact CB-CG1 4.33Å; V31-I168 HydrophobicContact CG1-CD1 3.8Å; V31-I168 HydrophobicContact CG1-CG1 4.05Å; V31-I168 WeakPolarHBondContact O-CG1 3.44Å; V31-I168 PolarHBondContact O-N 3.11Å; V31-G169 PolarHBondContact N-O 3.38Å; V31-G169 PolarHBondContact O-N 2.84Å; V31-V171 HydrophobicContact CG2-CG2 4.42Å; V31-L178 HydrophobicContact CB-CD2 4.47Å; V31-L178 HydrophobicContact CG2-CD2 4.47Å
32E91Very high80.4Confident32 Ų3270.1 Ų70.115%0.1531%0.313CS..EExtended strand (participates in β ladder)trans-110.3135.9177.6-60.8-157.2154.200111.4T30 R59 V166 A167 L205 D206 V208T30-E32 HydrophobicContact CG2-CG 4.14Å; E32-R59 IonicContact OE1-NH2 3.83Å; E32-R59 PolarHBondContact OE1-NH2 3.01Å; E32-V166 CarbonylContact C-O 3.54Å; E32-V166 VanDerWaalsContact CA-O 3.25Å; E32-V166 WeakPolarHBondContact CA-O 3.38Å; E32-A167 HydrophobicContact CG-CB 4.41Å; E32-L205 WeakPolarHBondContact O-CA 3.21Å; E32-D206 PolarHBondContact N-O 3.47Å; E32-D206 PolarHBondContact O-N 3.23Å; E32-V208 HydrophobicContact CB-CG2 4.03Å; E32-V208 HydrophobicContact CG-CB 4.2Å; E32-V208 HydrophobicContact CG-CG2 3.71Å
33L91.9Very high80.9Confident4 Ų470.2 Ų70.22%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-86.9109167.6175.966.9000108.2V35 G165 V166 I168 A185 I186 M203 L205L33-V35 HydrophobicContact CD1-CG2 4.37Å; L33-V35 HydrophobicContact CD2-CG2 4.27Å; L33-V35 HydrophobicContact CG-CG2 3.92Å; L33-G165 WeakPolarHBondContact O-CA 3.5Å; L33-V166 HydrophobicContact CB-CG2 4.07Å; L33-V166 PolarHBondContact N-O 3.16Å; L33-V166 PolarHBondContact O-N 3.39Å; L33-I168 HydrophobicContact CB-CD1 4.39Å; L33-I168 HydrophobicContact CB-CG1 4.32Å; L33-I168 HydrophobicContact CB-CG2 3.59Å; L33-I168 HydrophobicContact CD2-CG2 4.36Å; L33-A185 HydrophobicContact CD2-CB 4.35Å; L33-I186 HydrophobicContact CD2-CG1 3.8Å; L33-M203 HydrophobicContact CD1-CB 4.17Å; L33-M203 HydrophobicContact CD1-SD 4.37Å; L33-L205 HydrophobicContact CB-CD2 4.23Å; L33-L205 HydrophobicContact CD1-CD2 3.8Å
34Q90.6Very high81.8Confident68 Ų6871.4 Ų71.432%0.31832%0.321SS..EExtended strand (participates in β ladder)trans-92.6131.4171.8-65.3-17215.100110.2L164 M203 T204 D206Q34-L164 CarbonylContact C-O 3.53Å; Q34-L164 VanDerWaalsContact CA-O 3.27Å; Q34-L164 WeakPolarHBondContact CA-O 3.43Å; Q34-M203 CarbonylContact O-C 3.56Å; Q34-M203 VanDerWaalsContact O-CA 3.24Å; Q34-M203 WeakPolarHBondContact O-CA 3.26Å; Q34-T204 PolarHBondContact N-O 2.89Å; Q34-T204 PolarHBondContact O-N 3.46Å; Q34-D206 VanDerWaalsContact CD-OD2 3.27Å; Q34-D206 PolarHBondContact NE2-OD2 2.88Å; Q34-D206 PolarHBondContact OE1-OD2 3.41Å
35V89.5Confident83Confident1 Ų164.3 Ų64.31%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-128.6127.4-179.7-176.30000109.5L33 L37 C163 L164 L189 I200 M203L33-V35 HydrophobicContact CD1-CG2 4.37Å; L33-V35 HydrophobicContact CD2-CG2 4.27Å; L33-V35 HydrophobicContact CG-CG2 3.92Å; V35-L37 HydrophobicContact CG1-CD2 4.18Å; V35-C163 CarbonylContact O-C 3Å; V35-C163 WeakPolarHBondContact O-CA 3.2Å; V35-L164 HydrophobicContact CB-CB 4.36Å; V35-L164 PolarHBondContact N-O 3.44Å; V35-L164 PolarHBondContact O-N 2.77Å; V35-L189 HydrophobicContact CB-CD2 4.03Å; V35-L189 HydrophobicContact CG1-CD2 3.87Å; V35-L189 HydrophobicContact CG2-CD2 3.64Å; V35-I200 HydrophobicContact CG1-CG1 4.23Å; V35-I200 HydrophobicContact CG1-CG2 4.34Å; V35-M203 HydrophobicContact CB-CG 4.38Å; V35-M203 HydrophobicContact CG1-CE 4.25Å; V35-M203 HydrophobicContact CG1-CG 4.03Å; V35-M203 HydrophobicContact CG2-CB 4.41Å; V35-M203 HydrophobicContact CG2-CE 4.44Å; V35-M203 HydrophobicContact CG2-CG 3.88Å; V35-M203 HydrophobicContact CG2-SD 4.08Å
36V90.1Very high84Confident14 Ų1466.8 Ų66.89%0.08531%0.306CS..EExtended strand (participates in β ladder)trans-105.7121.9173.2179.10000109R201 Y202V36-R201 HydrophobicContact CB-CB 4.38Å; V36-R201 HydrophobicContact CG1-CB 4.12Å; V36-R201 WeakPolarHBondContact O-CA 3.47Å; V36-R201 VanDerWaalsContact O-CB 3.27Å; V36-R201 WeakPolarHBondContact O-CB 3.38Å; V36-R201 PolarHBondContact O-N 3.02Å; V36-Y202 HydrophobicContact CB-CD1 4.26Å; V36-Y202 HydrophobicContact CB-CD2 4.3Å; V36-Y202 HydrophobicContact CB-CE1 3.94Å; V36-Y202 HydrophobicContact CB-CE2 3.98Å; V36-Y202 HydrophobicContact CB-CG 4.44Å; V36-Y202 HydrophobicContact CG1-CE1 4.13Å; V36-Y202 HydrophobicContact CG2-CD2 4.18Å; V36-Y202 HydrophobicContact CG2-CE1 4.06Å; V36-Y202 HydrophobicContact CG2-CE2 3.45Å; V36-Y202 VanDerWaalsContact CG2-CE2 3.45Å; V36-Y202 WeakPolarHBondContact CG2-OH 3.31Å; V36-Y202 PolarHBondContact N-O 3.47Å
37L89.4Confident84.8Confident4 Ų462 Ų622%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-83.6151.7177.4-57.4179.8000111.5V35 F48 M158 L162 L164 L193 N199 I200V35-L37 HydrophobicContact CG1-CD2 4.18Å; L37-F48 HydrophobicContact CD1-CE1 3.96Å; L37-F48 HydrophobicContact CD1-CZ 4.04Å; L37-M158 HydrophobicContact CD1-SD 4.44Å; L37-L162 HydrophobicContact CB-CB 4.32Å; L37-L162 HydrophobicContact CB-CD2 4.4Å; L37-L162 WeakPolarHBondContact CB-O 3.27Å; L37-L162 WeakPolarHBondContact CG-O 3.36Å; L37-L162 PolarHBondContact N-O 2.71Å; L37-L164 HydrophobicContact CD1-CD1 3.98Å; L37-L164 HydrophobicContact CD2-CD1 4.23Å; L37-L164 HydrophobicContact CG-CD1 4.09Å; L37-L193 HydrophobicContact CD1-CD2 4.28Å; L37-L193 HydrophobicContact CD2-CD1 4.1Å; L37-L193 HydrophobicContact CD2-CD2 3.8Å; L37-N199 CarbonylContact C-O 3.54Å; L37-N199 WeakPolarHBondContact CA-O 3.3Å; L37-N199 WeakPolarHBondContact CD2-O 3.37Å; L37-I200 HydrophobicContact CD2-CG1 4.4Å
38K90.4Very high85.8Confident85 Ų8559.8 Ų59.837%0.3727%0.272SS..  trans-128.7163.2168.164-179.3179.7-162.60109.6Y40 Q198 N199 I200 R201K38-Y40 PolarHBondContact O-N 3.24Å; K38-Y40 VanDerWaalsContact O-N 3.12Å; K38-Q198 WeakPolarHBondContact CE-O 3.39Å; K38-Q198 WeakPolarHBondContact CG-O 3.24Å; K38-N199 PolarHBondContact N-O 2.8Å; K38-N199 WeakPolarHBondContact O-CA 3.47Å; K38-I200 WeakPolarHBondContact CE-O 3.44Å; K38-I200 PolarHBondContact NZ-O 3.41Å; K38-R201 HydrophobicContact CB-CB 4Å; K38-R201 HydrophobicContact CB-CG 4.43Å; K38-R201 HydrophobicContact CD-CB 4.28Å; K38-R201 HydrophobicContact CD-CG 4.47Å; K38-R201 HydrophobicContact CG-CB 4.26Å
39N88.5Confident86.6Confident114 Ų11457.8 Ų57.861%0.6128%0.276SS*.SBendtrans5432.6177.5-56.1-28.1000113.2
40Y83.7Confident87Confident15 Ų1557.7 Ų57.76%0.05928%0.278CS..  trans-130.2128.5178.7-140.7-69.7000107K38 D45 K46 F48 M158 L162 L193 K194 N199K38-Y40 PolarHBondContact O-N 3.24Å; K38-Y40 VanDerWaalsContact O-N 3.12Å; Y40-D45 HydrophobicContact CD1-CB 3.48Å; Y40-D45 VanDerWaalsContact CD1-CB 3.48Å; Y40-D45 HydrophobicContact CE1-CB 3.18Å; Y40-D45 HydrophobicContact CG-CB 4.47Å; Y40-K46 PolarHBondContact OH-O 3.07Å; Y40-F48 HydrophobicContact CE2-CD1 4.42Å; Y40-F48 HydrophobicContact CE2-CE1 4.29Å; Y40-M158 HydrophobicContact CD1-CE 3.34Å; Y40-M158 HydrophobicContact CD1-SD 3.58Å; Y40-M158 VanDerWaalsContact CD1-SD 3.58Å; Y40-M158 HydrophobicContact CE1-CE 3.7Å; Y40-M158 HydrophobicContact CE1-SD 3.31Å; Y40-M158 WeakPolarHBondContact CE1-SD 3.45Å; Y40-M158 HydrophobicContact CG-CE 4.17Å; Y40-M158 HydrophobicContact CG-SD 4.41Å; Y40-L162 VanDerWaalsContact O-CD2 3.27Å; Y40-L162 WeakPolarHBondContact O-CD2 3.24Å; Y40-L193 HydrophobicContact CE2-CD2 4.3Å; Y40-K194 HydrophobicContact CE2-CG 4.48Å; Y40-N199 HydrophobicContact CD2-CB 4.34Å; Y40-N199 WeakPolarHBondContact CD2-ND2 3.46Å
41D84Confident87.3Confident47 Ų4762.1 Ų62.125%0.25130%0.301SS..  trans-107.1113.5178.4-177.9-24.7000109.1Q43 K44 D45D41-Q43 PolarHBondContact O-N 2.88Å; D41-Q43 WeakPolarHBondContact OD1-CA 3.49Å; D41-Q43 WeakPolarHBondContact OD1-CB 3.39Å; D41-Q43 PolarHBondContact OD1-N 3Å; D41-K44 HydrophobicContact CB-CB 4.02Å; D41-K44 HydrophobicContact CB-CG 4.47Å; D41-K44 PolarHBondContact O-N 3.43Å; D41-K44 PolarHBondContact OD1-N 3.08Å; D41-K44 WeakPolarHBondContact OD2-CD 3.48Å; D41-K44 WeakPolarHBondContact OD2-CE 3.41Å; D41-K44 VanDerWaalsContact OD2-CG 3.24Å; D41-K44 WeakPolarHBondContact OD2-CG 3.33Å; D41-D45 PolarHBondContact N-OD2 3.44Å; D41-D45 VanDerWaalsContact O-CB 3.29Å; D41-D45 WeakPolarHBondContact O-CB 3.14Å; D41-D45 PolarHBondContact O-N 3.12Å
42P80.9Confident87.4Confident28 Ų2862.9 Ų62.918%0.18231%0.306CS..THydrogen-bonded Turntrans-62.5-13.4-179-21.833.2000115.6R47 M158 L162P42-R47 PolarHBondContact O-NH2 3.32Å; P42-M158 HydrophobicContact CB-CE 4.13Å; P42-M158 HydrophobicContact CG-CE 4.04Å; P42-L162 HydrophobicContact CG-CD2 3.82Å; P42-L162 HydrophobicContact CG-CG 4.32Å
43Q82.6Confident87.5Confident179 Ų17968.7 Ų68.784%0.83633%0.327SS*.THydrogen-bonded Turntrans-96.9-41.4177.2-58.6-172.5-1.400112.2D41D41-Q43 PolarHBondContact O-N 2.88Å; D41-Q43 WeakPolarHBondContact OD1-CA 3.49Å; D41-Q43 WeakPolarHBondContact OD1-CB 3.39Å; D41-Q43 PolarHBondContact OD1-N 3Å
44K83.8Confident87.5Confident177 Ų17768.7 Ų68.777%0.7733%0.327SS*.THydrogen-bonded Turntrans-91.7-34.6-176.2-62.1179.6-169.9173.20113.4D41D41-K44 HydrophobicContact CB-CB 4.02Å; D41-K44 HydrophobicContact CB-CG 4.47Å; D41-K44 PolarHBondContact O-N 3.43Å; D41-K44 PolarHBondContact OD1-N 3.08Å; D41-K44 WeakPolarHBondContact OD2-CD 3.48Å; D41-K44 WeakPolarHBondContact OD2-CE 3.41Å; D41-K44 VanDerWaalsContact OD2-CG 3.24Å; D41-K44 WeakPolarHBondContact OD2-CG 3.33Å
45D83.7Confident87.4Confident41 Ų4172 Ų7222%0.21934%0.34CS..SBendtrans-87.1138.7-177.2-70.4-61.8000112.4Y40 D41 R47 K194Y40-D45 HydrophobicContact CD1-CB 3.48Å; Y40-D45 VanDerWaalsContact CD1-CB 3.48Å; Y40-D45 HydrophobicContact CE1-CB 3.18Å; Y40-D45 HydrophobicContact CG-CB 4.47Å; D41-D45 PolarHBondContact N-OD2 3.44Å; D41-D45 VanDerWaalsContact O-CB 3.29Å; D41-D45 WeakPolarHBondContact O-CB 3.14Å; D41-D45 PolarHBondContact O-N 3.12Å; D45-R47 PolarHBondContact O-N 3.14Å; D45-K194 IonicContact OD1-NZ 3.52Å; D45-K194 PolarHBondContact OD1-NZ 3Å
46K82.6Confident87.5Confident173 Ų17375.2 Ų75.275%0.75235%0.353SS*.PPolyproline II helixtrans-57124.3171.6-170.2175.9-178.2179.50109.6Y40Y40-K46 PolarHBondContact OH-O 3.07Å
47R85.1Confident87.5Confident124 Ų12475.7 Ų75.747%0.46836%0.355SS..PPolyproline II helixtrans-69.9135.8174.5-63.1-179-170.9157.69.3109.7P42 D45P42-R47 PolarHBondContact O-NH2 3.32Å; D45-R47 PolarHBondContact O-N 3.14Å
48F87.5Confident87.5Confident19 Ų1975.7 Ų75.78%0.08336%0.356CS..PPolyproline II helixtrans-97.8149.4174.861.4-92.5000111L37 Y40 M158 L164 L189 L192 L193L37-F48 HydrophobicContact CD1-CE1 3.96Å; L37-F48 HydrophobicContact CD1-CZ 4.04Å; Y40-F48 HydrophobicContact CE2-CD1 4.42Å; Y40-F48 HydrophobicContact CE2-CE1 4.29Å; F48-M158 HydrophobicContact CD1-CB 3.99Å; F48-M158 HydrophobicContact CD1-SD 4.13Å; F48-M158 HydrophobicContact CD2-CB 4.49Å; F48-M158 HydrophobicContact CE1-CB 3.78Å; F48-M158 HydrophobicContact CE1-CG 4.17Å; F48-M158 HydrophobicContact CE1-SD 3.85Å; F48-M158 HydrophobicContact CE2-CB 4.32Å; F48-M158 HydrophobicContact CG-CB 4.35Å; F48-M158 HydrophobicContact CZ-CB 3.98Å; F48-M158 PolarHBondContact O-N 3.33Å; F48-L164 HydrophobicContact CE2-CD1 4.32Å; F48-L164 HydrophobicContact CZ-CD1 3.84Å; F48-L189 HydrophobicContact CE2-CD1 3.77Å; F48-L189 HydrophobicContact CZ-CD1 4.03Å; F48-L192 HydrophobicContact CB-CB 4.31Å; F48-L192 HydrophobicContact CD2-CB 3.84Å; F48-L192 HydrophobicContact CD2-CD1 3.91Å; F48-L192 HydrophobicContact CE2-CB 4.38Å; F48-L192 HydrophobicContact CE2-CD1 4.42Å; F48-L192 HydrophobicContact CG-CB 4.15Å; F48-L193 HydrophobicContact CD1-CD2 4.28Å; F48-L193 HydrophobicContact CE1-CD2 3.48Å; F48-L193 VanDerWaalsContact CE1-CD2 3.48Å; F48-L193 HydrophobicContact CZ-CD2 3.63Å
49S87.6Confident87.3Confident69 Ų6975.6 Ų75.648%0.48335%0.353SS..EExtended strand (participates in β ladder)trans-142.9128.4170.2-177.70000107.6K155 F156S49-K155 WeakPolarHBondContact OG-CE 3.22Å; S49-F156 CarbonylContact C-O 3.51Å; S49-F156 VanDerWaalsContact CA-O 3.26Å; S49-F156 WeakPolarHBondContact CA-O 3.28Å
50G89.5Confident86.8Confident11 Ų1173 Ų7311%0.11334%0.343CS..EExtended strand (participates in β ladder)trans-150.4147.5177.800000111.1K155 F156G50-K155 WeakPolarHBondContact O-CA 3.46Å; G50-F156 PolarHBondContact N-O 3.36Å; G50-F156 PolarHBondContact O-N 2.85Å
51N91Very high86.7Confident97 Ų9780.8 Ų80.852%0.51937%0.372SS..EExtended strand (participates in β ladder)trans-110.7136.5176.2-62.6-20.7000108.8T153 V154 K155 F188N51-T153 HydrophobicContact CB-CG2 3.8Å; N51-V154 CarbonylContact C-O 3.58Å; N51-V154 WeakPolarHBondContact CA-O 3.5Å; N51-K155 WeakPolarHBondContact OD1-CB 3.45Å; N51-K155 WeakPolarHBondContact OD1-CG 3.43Å; N51-F188 WeakPolarHBondContact O-CZ 3.28Å
52V92.9Very high86.7Confident19 Ų1980.1 Ų80.112%0.11537%0.368CS..EExtended strand (participates in β ladder)trans-128.9134.1173.259.30000109.6L54 T153 V154 F156 F188V52-L54 HydrophobicContact CG1-CD2 4.42Å; V52-T153 WeakPolarHBondContact O-CA 3.46Å; V52-V154 HydrophobicContact CG1-CG2 3.45Å; V52-V154 VanDerWaalsContact CG1-CG2 3.45Å; V52-V154 PolarHBondContact N-O 3.21Å; V52-V154 PolarHBondContact O-N 3.39Å; V52-F156 HydrophobicContact CG1-CD2 4.22Å; V52-F156 HydrophobicContact CG1-CE2 3.96Å; V52-F188 HydrophobicContact CB-CB 4.04Å; V52-F188 HydrophobicContact CB-CD1 3.52Å; V52-F188 HydrophobicContact CB-CD2 4.05Å; V52-F188 HydrophobicContact CB-CE1 3.85Å; V52-F188 HydrophobicContact CB-CE2 4.38Å; V52-F188 HydrophobicContact CB-CG 3.6Å; V52-F188 HydrophobicContact CB-CZ 4.28Å; V52-F188 HydrophobicContact CG1-CB 4.22Å; V52-F188 HydrophobicContact CG1-CD1 3.59Å; V52-F188 HydrophobicContact CG1-CE1 4.12Å; V52-F188 HydrophobicContact CG1-CG 4.02Å; V52-F188 HydrophobicContact CG2-CB 3.99Å; V52-F188 HydrophobicContact CG2-CD1 4.38Å; V52-F188 HydrophobicContact CG2-CD2 4.33Å; V52-F188 HydrophobicContact CG2-CG 3.99Å
53R91.5Very high86.8Confident154 Ų15481.6 Ų81.658%0.58138%0.376SS*.EExtended strand (participates in β ladder)trans-84.8118.2174.4-171.2179.1176.6-157.2-0.3109.1S152R53-S152 PolarHBondContact NE-OG 2.82Å
54L92.9Very high87.1Confident4 Ų473.3 Ų73.32%0.02134%0.338CS..  trans-79.5158.3174.1-58.9-174.5000110.3V52 P58 S152 V154 N181 L184 A185V52-L54 HydrophobicContact CG1-CD2 4.42Å; L54-P58 HydrophobicContact CD1-CG 4.26Å; L54-S152 WeakPolarHBondContact CB-O 3.31Å; L54-S152 PolarHBondContact N-O 3.34Å; L54-V154 HydrophobicContact CD1-CG1 3.61Å; L54-V154 HydrophobicContact CD1-CG2 4.07Å; L54-V154 HydrophobicContact CD2-CG2 4.09Å; L54-V154 HydrophobicContact CG-CG1 4.12Å; L54-V154 HydrophobicContact CG-CG2 3.96Å; L54-N181 HydrophobicContact CD1-CB 4.27Å; L54-L184 HydrophobicContact CD2-CB 4.35Å; L54-A185 HydrophobicContact CD2-CB 4.25Å
55K88.7Confident87.4Confident138 Ų13864.9 Ų64.960%0.630%0.301SS*.SBendtrans-75.2-34.1-179.9-171.7177.4176.6-164.10111.6N181 L184K55-N181 PolarHBondContact N-OD1 3.04Å; K55-L184 HydrophobicContact CB-CD1 4.22Å
56Y92Very high87.7Confident68 Ų6863 Ų6327%0.26729%0.291SS..SBendtrans-120.7142.1180-54.1-82.5000110.5P58 E177 N181Y56-P58 VanDerWaalsContact O-CD 3.28Å; Y56-P58 WeakPolarHBondContact O-CD 3.38Å; Y56-E177 HydrophobicContact CD1-CB 4.48Å; Y56-E177 HydrophobicContact CD1-CG 3.96Å; Y56-E177 HydrophobicContact CD2-CB 3.84Å; Y56-E177 HydrophobicContact CD2-CG 4.03Å; Y56-E177 HydrophobicContact CE1-CG 3.75Å; Y56-E177 HydrophobicContact CE2-CB 3.99Å; Y56-E177 HydrophobicContact CE2-CG 3.84Å; Y56-E177 HydrophobicContact CG-CB 4.11Å; Y56-E177 HydrophobicContact CG-CG 4.1Å; Y56-N181 PolarHBondContact N-OD1 3.35Å; Y56-N181 VanDerWaalsContact N-OD1 3.12Å; Y56-N181 PolarHBondContact O-ND2 3.29Å
57V89.6Confident88.1Confident23 Ų2354.8 Ų54.814%0.13926%0.255CS..  trans-70.3115.7-177.4170.30000111.3R59 E148 K151 M173V57-R59 PolarHBondContact O-N 3.43Å; V57-E148 WeakPolarHBondContact CG2-OE1 3.4Å; V57-K151 HydrophobicContact CG1-CB 3.85Å; V57-K151 HydrophobicContact CG2-CB 4Å; V57-M173 WeakPolarHBondContact O-CE 3.27Å
58P88.1Confident88.2Confident5 Ų548.9 Ų48.93%0.03223%0.233CC..SBendtrans-67.3-34.7-177.926.6-35.8000113.3L54 Y56 P60 K151 V154 A167 G169L54-P58 HydrophobicContact CD1-CG 4.26Å; Y56-P58 VanDerWaalsContact O-CD 3.28Å; Y56-P58 WeakPolarHBondContact O-CD 3.38Å; P58-P60 WeakPolarHBondContact O-CD 3.48Å; P58-K151 WeakPolarHBondContact CD-O 3.39Å; P58-V154 HydrophobicContact CG-CG1 4.13Å; P58-A167 HydrophobicContact CB-CB 4.25Å; P58-A167 WeakPolarHBondContact CB-O 3.18Å; P58-G169 CarbonylContact O-C 3.41Å
59R86.2Confident88.2Confident83 Ų8349.6 Ų49.631%0.31324%0.238SC..  trans-123.687.5-176.2-65.3-177.2-178.7-166.2-0111.3T30 E32 V57 R61 M62 A167T30-R59 HydrophobicContact CG2-CG 4.26Å; E32-R59 IonicContact OE1-NH2 3.83Å; E32-R59 PolarHBondContact OE1-NH2 3.01Å; V57-R59 PolarHBondContact O-N 3.43Å; R59-R61 PolarHBondContact O-N 3.41Å; R59-M62 HydrophobicContact CB-CB 3.96Å; R59-M62 WeakPolarHBondContact O-CB 3.5Å; R59-M62 PolarHBondContact O-N 3.28Å; R59-A167 HydrophobicContact CG-CB 4.19Å; R59-A167 VanDerWaalsContact NE-CB 3.28Å
60P79.7Confident88.1Confident60 Ų6052.1 Ų52.139%0.3924%0.242SC..THydrogen-bonded Turntrans-59.6-31.5-178.7-2834.6000113.7P58 M62 H170P58-P60 WeakPolarHBondContact O-CD 3.48Å; P60-M62 VanDerWaalsContact C-N 3.28Å; P60-M62 PolarHBondContact O-N 2.87Å; P60-H170 VanDerWaalsContact CD-CD2 3.41Å; P60-H170 WeakPolarHBondContact CD-CD2 3.35Å; P60-H170 VanDerWaalsContact CG-CD2 3.47Å; P60-H170 WeakPolarHBondContact CG-CD2 3.3Å
61R81.1Confident88Confident177 Ų17757 Ų5767%0.66826%0.262SS*.THydrogen-bonded Turntrans-86.810.9177.9-65.1-172.3179.9178.6-0.1113.9R59 T63R59-R61 PolarHBondContact O-N 3.41Å; R61-T63 PolarHBondContact O-N 3.22Å
62M83.5Confident87.8Confident34 Ų3452.5 Ų52.517%0.16724%0.238CC..  trans-63122.1178-176.8175163.700110.5R59 P60 V64 D107 A108 V150 K151R59-M62 HydrophobicContact CB-CB 3.96Å; R59-M62 WeakPolarHBondContact O-CB 3.5Å; R59-M62 PolarHBondContact O-N 3.28Å; P60-M62 VanDerWaalsContact C-N 3.28Å; P60-M62 PolarHBondContact O-N 2.87Å; M62-V64 HydrophobicContact CE-CG2 4.48Å; M62-D107 WeakPolarHBondContact CA-OD2 3.41Å; M62-D107 HydrophobicContact CE-CB 4.28Å; M62-D107 HydrophobicContact CG-CB 3.62Å; M62-A108 HydrophobicContact CE-CB 3.44Å; M62-A108 VanDerWaalsContact CE-CB 3.44Å; M62-V150 HydrophobicContact CE-CG1 3.82Å; M62-K151 HydrophobicContact CB-CG 4.36Å; M62-K151 WeakPolarHBondContact O-CE 3.47Å; M62-K151 HydrophobicContact SD-CG 4.39Å
63T84.2Confident87.5Confident59 Ų5952.3 Ų52.336%0.36224%0.236SC..  trans-89.7123.5-178560000110.5R61 Y106 D107 A108R61-T63 PolarHBondContact O-N 3.22Å; T63-Y106 WeakPolarHBondContact OG1-CA 3.13Å; T63-D107 PolarHBondContact N-OD2 3.2Å; T63-D107 WeakPolarHBondContact O-CB 3.32Å; T63-D107 PolarHBondContact O-N 3.4Å; T63-D107 PolarHBondContact OG1-N 3.25Å; T63-D107 PolarHBondContact OG1-OD2 3Å; T63-A108 PolarHBondContact O-N 3.4Å
64V88.1Confident87.2Confident5 Ų549 Ų493%0.0323%0.23CC..EExtended strand (participates in β ladder)trans-118.4124.3-179.2-175.70000108.5M62 A108 L110 V147 V150 K151M62-V64 HydrophobicContact CE-CG2 4.48Å; V64-A108 WeakPolarHBondContact CA-O 3.33Å; V64-A108 HydrophobicContact CG2-CB 4.4Å; V64-L110 HydrophobicContact CG1-CD1 3.97Å; V64-L110 HydrophobicContact CG1-CG 3.85Å; V64-V147 HydrophobicContact CB-CG1 4.4Å; V64-V147 HydrophobicContact CG1-CG2 4.37Å; V64-V147 HydrophobicContact CG2-CG1 4.3Å; V64-V150 HydrophobicContact CG2-CG1 4.42Å; V64-K151 HydrophobicContact CG2-CG 4.38Å
65C90.4Very high87Confident0 Ų051.5 Ų51.50%024%0.241CC..EExtended strand (participates in β ladder)trans-104.7135.5176.1-178.80000110.6P82 Y106 A108 F109 L110C65-P82 CarbonylContact C-O 3.27Å; C65-P82 WeakPolarHBondContact CA-O 3.48Å; C65-Y106 HydrophobicContact CB-CD1 3.68Å; C65-Y106 HydrophobicContact CB-CD2 3.67Å; C65-Y106 HydrophobicContact CB-CE1 3.96Å; C65-Y106 HydrophobicContact CB-CE2 3.94Å; C65-Y106 HydrophobicContact CB-CG 3.52Å; C65-A108 PolarHBondContact N-O 3.47Å; C65-F109 HydrophobicContact CB-CD1 3.72Å; C65-F109 HydrophobicContact CB-CE1 3.71Å; C65-F109 CarbonylContact O-C 3.53Å; C65-F109 VanDerWaalsContact O-CA 3.25Å; C65-F109 WeakPolarHBondContact O-CA 3.29Å; C65-L110 PolarHBondContact O-N 3Å
66I90.3Very high86.8Confident1 Ų145 Ų451%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-102130.1-178-60.7151.8000109.7A76 L81 P82 S83 R84 L110 L143I66-A76 HydrophobicContact CD1-CB 3.67Å; I66-L81 HydrophobicContact CD1-CB 3.71Å; I66-L81 HydrophobicContact CD1-CD1 3.89Å; I66-L81 HydrophobicContact CD1-CG 4.41Å; I66-P82 PolarHBondContact N-O 3.44Å; I66-S83 CarbonylContact O-C 3.53Å; I66-S83 VanDerWaalsContact O-CA 3.27Å; I66-S83 WeakPolarHBondContact O-CA 3.44Å; I66-R84 PolarHBondContact O-N 2.99Å; I66-L110 CarbonylContact C-O 3.36Å; I66-L110 HydrophobicContact CG1-CB 4.14Å; I66-L110 HydrophobicContact CG1-CD1 4.34Å; I66-L143 HydrophobicContact CD1-CD1 3.62Å; I66-L143 HydrophobicContact CD1-CD2 3.34Å; I66-L143 HydrophobicContact CD1-CG 3.68Å; I66-L143 HydrophobicContact CG1-CD1 3.97Å; I66-L143 HydrophobicContact CG1-CD2 4.49Å; I66-L143 HydrophobicContact CG2-CD1 4.19Å
67L89.9Confident86.5Confident0 Ų046 Ų460%022%0.223CC..EExtended strand (participates in β ladder)trans-107.385176.6-56.9-175.5000107.6R84 L89 F109 L110 A111 S112 I119 P134L67-R84 WeakPolarHBondContact CA-O 3.45Å; L67-R84 HydrophobicContact CD2-CB 3.88Å; L67-L89 HydrophobicContact CB-CD1 4.42Å; L67-L89 HydrophobicContact CD1-CD2 4.35Å; L67-L89 HydrophobicContact CD2-CD1 4.38Å; L67-L89 HydrophobicContact CD2-CD2 3.94Å; L67-F109 HydrophobicContact CD1-CD1 4.2Å; L67-F109 HydrophobicContact CD2-CD1 4.45Å; L67-F109 HydrophobicContact CG-CD1 4.27Å; L67-L110 WeakPolarHBondContact CB-O 3.38Å; L67-L110 PolarHBondContact N-O 3.25Å; L67-A111 HydrophobicContact CB-CB 4.21Å; L67-A111 VanDerWaalsContact O-CA 3.28Å; L67-A111 WeakPolarHBondContact O-CA 3.25Å; L67-S112 PolarHBondContact O-N 2.73Å; L67-S112 VanDerWaalsContact O-N 3.09Å; L67-I119 HydrophobicContact CB-CD1 4.35Å; L67-I119 HydrophobicContact CD1-CD1 3.84Å; L67-P134 HydrophobicContact CD1-CG 3.93Å
68G87.6Confident86.4Confident0 Ų048.6 Ų48.60%025%0.247CC..  trans-109.5158.3-16200000114.5I73 R84 S112 L115G68-I73 WeakPolarHBondContact O-CD1 3.27Å; G68-R84 PolarHBondContact N-O 3.19Å; G68-S112 VanDerWaalsContact CA-OG 3.28Å; G68-S112 WeakPolarHBondContact CA-OG 3.27Å; G68-L115 WeakPolarHBondContact O-CD1 3.31Å
69D88Confident86.2Confident34 Ų3451.1 Ų51.118%0.18226%0.26CS..  trans-73.6176.2153.854.424.1000110.3Q71 H72 I73 S112 S114 H139D69-Q71 PolarHBondContact O-N 2.95Å; D69-H72 PolarHBondContact O-N 2.82Å; D69-H72 VanDerWaalsContact O-N 3.17Å; D69-H72 IonicContact OD1-CE1 3.77Å; D69-H72 IonicContact OD1-CG 3.52Å; D69-H72 PolarHBondContact OD1-N 3.26Å; D69-H72 IonicContact OD1-ND1 2.99Å; D69-H72 PolarHBondContact OD1-ND1 3.19Å; D69-H72 IonicContact OD2-ND1 3.59Å; D69-I73 WeakPolarHBondContact O-CD1 3.42Å; D69-I73 VanDerWaalsContact O-CG1 3.27Å; D69-I73 WeakPolarHBondContact O-CG1 3.3Å; D69-I73 PolarHBondContact O-N 3.35Å; D69-S112 PolarHBondContact N-OG 3.2Å; D69-S114 PolarHBondContact OD2-OG 3.22Å; D69-H139 IonicContact OD1-NE2 2.61Å; D69-H139 IonicContact OD2-CE1 3.73Å; D69-H139 PolarHBondContact OD2-CE1 2.91Å; D69-H139 VanDerWaalsContact OD2-CE1 3.25Å; D69-H139 IonicContact OD2-NE2 3.73Å; D69-H139 PolarHBondContact OD2-NE2 3.38Å
70Q85.8Confident86Confident122 Ų12254.2 Ų54.257%0.5728%0.283SS*.Hα-helixtrans-54.5-41-174.4-168.661.544.800112.3I73 D74Q70-I73 PolarHBondContact O-N 2.94Å; Q70-D74 PolarHBondContact NE2-OD1 2.89Å; Q70-D74 WeakPolarHBondContact O-CB 3.4Å; Q70-D74 PolarHBondContact O-N 2.91Å
71Q85.7Confident86.3Confident115 Ų11552.7 Ų52.754%0.53727%0.271SS..Hα-helixtrans-62.5-48.5179.4-174.9175.8-3.600112.4D69 I73 D74 E75 H139D69-Q71 PolarHBondContact O-N 2.95Å; Q71-I73 VanDerWaalsContact C-N 3.29Å; Q71-I73 PolarHBondContact O-N 3.41Å; Q71-D74 PolarHBondContact O-N 3.12Å; Q71-E75 PolarHBondContact O-N 2.89Å; Q71-H139 PolarHBondContact OE1-CD2 3.44Å
72H87.6Confident86.5Confident2 Ų246.6 Ų46.61%0.00926%0.255CS..Hα-helixtrans-69.6-27177.6-70.1105.9000112.8D69 A76 S112 H139D69-H72 PolarHBondContact O-N 2.82Å; D69-H72 VanDerWaalsContact O-N 3.17Å; D69-H72 IonicContact OD1-CE1 3.77Å; D69-H72 IonicContact OD1-CG 3.52Å; D69-H72 PolarHBondContact OD1-N 3.26Å; D69-H72 IonicContact OD1-ND1 2.99Å; D69-H72 PolarHBondContact OD1-ND1 3.19Å; D69-H72 IonicContact OD2-ND1 3.59Å; H72-A76 WeakPolarHBondContact O-CB 3.38Å; H72-A76 PolarHBondContact O-N 3.16Å; H72-S112 PolarHBondContact CE1-OG 2.81Å; H72-S112 PolarHBondContact ND1-OG 3.17Å; H72-H139 AromaticContact CE1-CD2 3.46Å; H72-H139 PolarHBondContact CE1-CD2 3.48Å; H72-H139 VanDerWaalsContact CE1-CD2 3.46Å; H72-H139 AromaticContact CE1-CE1 3.6Å; H72-H139 AromaticContact CE1-CG 3.77Å; H72-H139 AromaticContact CE1-ND1 3.84Å; H72-H139 AromaticContact CE1-NE2 3.35Å; H72-H139 PolarHBondContact CE1-NE2 3.07Å; H72-H139 AromaticContact ND1-CD2 3.97Å; H72-H139 AromaticContact ND1-NE2 3.63Å
73I86Confident86.6Confident15 Ų1546.4 Ų46.48%0.07726%0.257CS..Hα-helixtrans-70.4-44.3174.3-69.9163.5000110.6G68 D69 Q70 Q71 E75 A76 N77 D85G68-I73 WeakPolarHBondContact O-CD1 3.27Å; D69-I73 WeakPolarHBondContact O-CD1 3.42Å; D69-I73 VanDerWaalsContact O-CG1 3.27Å; D69-I73 WeakPolarHBondContact O-CG1 3.3Å; D69-I73 PolarHBondContact O-N 3.35Å; Q70-I73 PolarHBondContact O-N 2.94Å; Q71-I73 VanDerWaalsContact C-N 3.29Å; Q71-I73 PolarHBondContact O-N 3.41Å; I73-E75 VanDerWaalsContact C-N 3.33Å; I73-A76 PolarHBondContact O-N 2.73Å; I73-N77 WeakPolarHBondContact CG2-ND2 3.5Å; I73-N77 WeakPolarHBondContact O-CB 3.28Å; I73-N77 PolarHBondContact O-N 3.21Å; I73-N77 PolarHBondContact O-ND2 3.39Å; I73-D85 HydrophobicContact CD1-CB 3.38Å
74D86.6Confident86.7Confident84 Ų8447.6 Ų47.645%0.44926%0.255SS..Hα-helixtrans-63.5-42.9177.8-64.8-20.5000110.3Q70 Q71 A76 N77 A78Q70-D74 PolarHBondContact NE2-OD1 2.89Å; Q70-D74 WeakPolarHBondContact O-CB 3.4Å; Q70-D74 PolarHBondContact O-N 2.91Å; Q71-D74 PolarHBondContact O-N 3.12Å; D74-A76 PolarHBondContact O-N 2.8Å; D74-N77 PolarHBondContact O-N 3.43Å; D74-A78 WeakPolarHBondContact O-CB 3.43Å; D74-A78 PolarHBondContact O-N 3.33Å
75E87Confident86.6Confident57 Ų5749.9 Ų49.927%0.26627%0.267SS..Hα-helixtrans-64-39173.3-167.9-178.1167.400112.3Q71 I73 N79 L143Q71-E75 PolarHBondContact O-N 2.89Å; I73-E75 VanDerWaalsContact C-N 3.33Å; E75-N79 PolarHBondContact O-N 2.87Å; E75-N79 VanDerWaalsContact O-N 3.16Å; E75-N79 PolarHBondContact O-ND2 3.27Å; E75-L143 HydrophobicContact CB-CD2 4.27Å; E75-L143 VanDerWaalsContact CD-CB 3.47Å; E75-L143 HydrophobicContact CG-CB 4.06Å; E75-L143 HydrophobicContact CG-CD2 4.17Å; E75-L143 WeakPolarHBondContact OE1-CB 3.28Å; E75-L143 PolarHBondContact OE1-N 3.17Å
76A86.2Confident86.3Confident0 Ų051.8 Ų51.80%028%0.278CS..Hα-helixtrans-65.9-44.1176.300000112I66 H72 I73 D74 N79 N80 L81 L143I66-A76 HydrophobicContact CD1-CB 3.67Å; H72-A76 WeakPolarHBondContact O-CB 3.38Å; H72-A76 PolarHBondContact O-N 3.16Å; I73-A76 PolarHBondContact O-N 2.73Å; D74-A76 PolarHBondContact O-N 2.8Å; A76-N79 CarbonylContact O-C 3.54Å; A76-N79 PolarHBondContact O-N 2.87Å; A76-N79 VanDerWaalsContact O-N 3.15Å; A76-N80 PolarHBondContact O-N 2.94Å; A76-L81 HydrophobicContact CB-CB 4.15Å; A76-L81 PolarHBondContact O-N 3.18Å; A76-L143 HydrophobicContact CB-CD2 3.74Å
77N85.9Confident86Confident89 Ų8957.7 Ų57.748%0.47631%0.306SS..Hα-helixtrans-64.7-40.5178.2-69.3-21.4000111.1I73 D74 N79 N80 S83I73-N77 WeakPolarHBondContact CG2-ND2 3.5Å; I73-N77 WeakPolarHBondContact O-CB 3.28Å; I73-N77 PolarHBondContact O-N 3.21Å; I73-N77 PolarHBondContact O-ND2 3.39Å; D74-N77 PolarHBondContact O-N 3.43Å; N77-N79 PolarHBondContact O-N 3.47Å; N77-N80 PolarHBondContact O-N 2.92Å; N77-S83 PolarHBondContact OD1-OG 2.89Å
78A85.8Confident85.7Confident79 Ų7958.8 Ų58.865%0.65332%0.315SS*.Hα-helixtrans-60.5-32.5173.900000112.7D74D74-A78 WeakPolarHBondContact O-CB 3.43Å; D74-A78 PolarHBondContact O-N 3.33Å
79N84.8Confident85.4Confident58 Ų5858.8 Ų58.831%0.3132%0.315SS..THydrogen-bonded Turntrans-97.18.9179.6-70.2-65.1000114.2E75 A76 N77 L81 L144E75-N79 PolarHBondContact O-N 2.87Å; E75-N79 VanDerWaalsContact O-N 3.16Å; E75-N79 PolarHBondContact O-ND2 3.27Å; A76-N79 CarbonylContact O-C 3.54Å; A76-N79 PolarHBondContact O-N 2.87Å; A76-N79 VanDerWaalsContact O-N 3.15Å; N77-N79 PolarHBondContact O-N 3.47Å; N79-L81 HydrophobicContact CB-CD1 3.99Å; N79-L81 HydrophobicContact CB-CG 4.17Å; N79-L81 PolarHBondContact O-N 3.38Å; N79-L144 HydrophobicContact CB-CD2 4.25Å; N79-L144 WeakPolarHBondContact OD1-CD1 3.47Å
80N82.8Confident85.1Confident148 Ų14863.3 Ų63.379%0.79133%0.333SS*.THydrogen-bonded Turntrans55.133.2-175.8-59.2-68.4000114.3A76 N77A76-N80 PolarHBondContact O-N 2.94Å; N77-N80 PolarHBondContact O-N 2.92Å
81L85.2Confident85.1Confident28 Ų2865.6 Ų65.615%0.14734%0.341CS..  trans-93.3136.5177.1-67.7167.2000110.6I66 A76 N79 S83 L143 L144 V147I66-L81 HydrophobicContact CD1-CB 3.71Å; I66-L81 HydrophobicContact CD1-CD1 3.89Å; I66-L81 HydrophobicContact CD1-CG 4.41Å; A76-L81 HydrophobicContact CB-CB 4.15Å; A76-L81 PolarHBondContact O-N 3.18Å; N79-L81 HydrophobicContact CB-CD1 3.99Å; N79-L81 HydrophobicContact CB-CG 4.17Å; N79-L81 PolarHBondContact O-N 3.38Å; L81-S83 PolarHBondContact O-N 3.38Å; L81-L143 HydrophobicContact CD1-CD2 3.92Å; L81-L143 HydrophobicContact CD1-CG 4.11Å; L81-L144 HydrophobicContact CD1-CD2 4.38Å; L81-V147 HydrophobicContact CD1-CG2 4.04Å
82P86.1Confident84.8Confident49 Ų4961.1 Ų61.132%0.31832%0.321SS..  trans-59.6120.2176-20.730.6000111.2C65 I66 Y106C65-P82 CarbonylContact C-O 3.27Å; C65-P82 WeakPolarHBondContact CA-O 3.48Å; I66-P82 PolarHBondContact N-O 3.44Å; P82-Y106 HydrophobicContact CB-CE1 3.55Å; P82-Y106 HydrophobicContact CG-CE1 3.81Å
83S84.5Confident84.3Confident30 Ų3067.8 Ų67.821%0.2136%0.356CS..EExtended strand (participates in β ladder)trans-126.6151.4-179.268.10000111.7I66 N77 L81I66-S83 CarbonylContact O-C 3.53Å; I66-S83 VanDerWaalsContact O-CA 3.27Å; I66-S83 WeakPolarHBondContact O-CA 3.44Å; N77-S83 PolarHBondContact OD1-OG 2.89Å; L81-S83 PolarHBondContact O-N 3.38Å
84R87.3Confident83.9Confident83 Ų8373.1 Ų73.131%0.31338%0.379SS..EExtended strand (participates in β ladder)trans-139.2138171.1-70.7-162.1175.8-158.7-0.1110.8I66 L67 G68 A88I66-R84 PolarHBondContact O-N 2.99Å; L67-R84 WeakPolarHBondContact CA-O 3.45Å; L67-R84 HydrophobicContact CD2-CB 3.88Å; G68-R84 PolarHBondContact N-O 3.19Å; R84-A88 HydrophobicContact CB-CB 4.21Å; R84-A88 HydrophobicContact CG-CB 4.4Å
85D86Confident83.8Confident53 Ų5372.7 Ų72.728%0.28338%0.377SS..  trans-90.4176177.875.8-34.5000112.6I73 E87 A88 L89I73-D85 HydrophobicContact CD1-CB 3.38Å; D85-E87 PolarHBondContact O-N 2.66Å; D85-E87 VanDerWaalsContact OD2-CB 3.31Å; D85-E87 WeakPolarHBondContact OD2-CB 3.38Å; D85-E87 PolarHBondContact OD2-N 2.72Å; D85-A88 PolarHBondContact O-N 3.25Å; D85-A88 WeakPolarHBondContact OD1-CB 3.24Å; D85-A88 PolarHBondContact OD1-N 2.97Å; D85-L89 WeakPolarHBondContact O-CG 3.13Å; D85-L89 PolarHBondContact O-N 3.1Å; D85-L89 VanDerWaalsContact O-N 3.14Å
86V84.3Confident83.5Confident40 Ų4078.1 Ų78.124%0.24240%0.4CS..Hα-helixtrans-61.8-34.1180-163.90000111.7L89 K90 L115 L122V86-L89 PolarHBondContact O-N 3.39Å; V86-K90 WeakPolarHBondContact O-CG 3.37Å; V86-K90 PolarHBondContact O-N 3.41Å; V86-L115 HydrophobicContact CB-CD2 4.29Å; V86-L115 HydrophobicContact CG1-CD2 4.17Å; V86-L115 HydrophobicContact CG2-CD1 3.94Å; V86-L115 HydrophobicContact CG2-CD2 3.48Å; V86-L115 VanDerWaalsContact CG2-CD2 3.48Å; V86-L115 HydrophobicContact CG2-CG 4.09Å; V86-L122 HydrophobicContact CG1-CD1 4.05Å
87E83.6Confident83.3Confident126 Ų12686.3 Ų86.359%0.58944%0.435SS*.Hα-helixtrans-71.5-42.1179.7-56.9-168.4165.500111.9D85 L89 K90 K91D85-E87 PolarHBondContact O-N 2.66Å; D85-E87 VanDerWaalsContact OD2-CB 3.31Å; D85-E87 WeakPolarHBondContact OD2-CB 3.38Å; D85-E87 PolarHBondContact OD2-N 2.72Å; E87-L89 PolarHBondContact O-N 2.9Å; E87-K90 PolarHBondContact O-N 3.16Å; E87-K90 VanDerWaalsContact O-N 3.16Å; E87-K91 WeakPolarHBondContact O-CG 3.16Å; E87-K91 PolarHBondContact O-N 3.1Å
88A83Confident83Confident23 Ų2383.6 Ų83.619%0.1943%0.425CS..Hα-helixtrans-60.6-33.4172.600000112.2R84 D85R84-A88 HydrophobicContact CB-CB 4.21Å; R84-A88 HydrophobicContact CG-CB 4.4Å; D85-A88 PolarHBondContact O-N 3.25Å; D85-A88 WeakPolarHBondContact OD1-CB 3.24Å; D85-A88 PolarHBondContact OD1-N 2.97Å
89L81.8Confident82.8Confident0 Ų080.1 Ų80.10%040%0.395CS..Hα-helixtrans-71.3-38.7174.6-66.5173.3000112.4L67 D85 V86 E87 L92 L122 L123L67-L89 HydrophobicContact CB-CD1 4.42Å; L67-L89 HydrophobicContact CD1-CD2 4.35Å; L67-L89 HydrophobicContact CD2-CD1 4.38Å; L67-L89 HydrophobicContact CD2-CD2 3.94Å; D85-L89 WeakPolarHBondContact O-CG 3.13Å; D85-L89 PolarHBondContact O-N 3.1Å; D85-L89 VanDerWaalsContact O-N 3.14Å; V86-L89 PolarHBondContact O-N 3.39Å; E87-L89 PolarHBondContact O-N 2.9Å; L89-L92 HydrophobicContact CD2-CD1 4.46Å; L89-L92 PolarHBondContact O-N 3.08Å; L89-L122 HydrophobicContact CB-CD1 4.35Å; L89-L123 HydrophobicContact CB-CD2 4.45Å; L89-L123 HydrophobicContact CD2-CD1 3.88Å; L89-L123 HydrophobicContact CD2-CD2 3.91Å; L89-L123 HydrophobicContact CD2-CG 4.17Å
90K82Confident82.7Confident129 Ų12982.4 Ų82.456%0.56140%0.402SS*.Hα-helixtrans-65.5-38174.9-76.9175.9-178.7173.60112.5V86 E87 L92 N93 L122V86-K90 WeakPolarHBondContact O-CG 3.37Å; V86-K90 PolarHBondContact O-N 3.41Å; E87-K90 PolarHBondContact O-N 3.16Å; E87-K90 VanDerWaalsContact O-N 3.16Å; K90-L92 PolarHBondContact O-N 3.1Å; K90-L92 VanDerWaalsContact O-N 3.12Å; K90-N93 PolarHBondContact O-N 3.44Å; K90-L122 HydrophobicContact CG-CD2 3.72Å
91K84Confident82.7Confident169 Ų16983.2 Ų83.274%0.73540%0.399SS*.THydrogen-bonded Turntrans-59.2-22.5177.9-75.3175.2-175.61720113.7E87 N93E87-K91 WeakPolarHBondContact O-CG 3.16Å; E87-K91 PolarHBondContact O-N 3.1Å; K91-N93 PolarHBondContact O-N 3.46Å
92L80Confident82.6Confident22 Ų2282.2 Ų82.212%0.11539%0.393CS..THydrogen-bonded Turntrans-70.7-14.5175.2-65.6166.5000112.9L89 K90 K94 D95 A98 L102 L123L89-L92 HydrophobicContact CD2-CD1 4.46Å; L89-L92 PolarHBondContact O-N 3.08Å; K90-L92 PolarHBondContact O-N 3.1Å; K90-L92 VanDerWaalsContact O-N 3.12Å; L92-K94 PolarHBondContact O-N 2.86Å; L92-D95 VanDerWaalsContact O-CB 3.31Å; L92-D95 WeakPolarHBondContact O-CB 3.26Å; L92-D95 PolarHBondContact O-N 3.38Å; L92-A98 HydrophobicContact CD2-CB 3.7Å; L92-L102 HydrophobicContact CD1-CD2 3.8Å; L92-L123 HydrophobicContact CB-CD2 4.26Å; L92-L123 HydrophobicContact CD1-CD2 3.56Å
93N78.2Confident82.3Confident141 Ų14179.9 Ų79.975%0.75438%0.379SS*.THydrogen-bonded Turntrans4538.1173.2-16222.4000115.1K90 K91 D95K90-N93 PolarHBondContact O-N 3.44Å; K91-N93 PolarHBondContact O-N 3.46Å; N93-D95 PolarHBondContact O-N 3.23Å
94K77.3Confident82.1Confident127 Ų12785.8 Ų85.855%0.55240%0.401SS*.THydrogen-bonded Turntrans5420.8-173.8-61175.6177.4176.70114.7L92 K96 R121 L122L92-K94 PolarHBondContact O-N 2.86Å; K94-K96 PolarHBondContact O-N 2.94Å; K94-K96 VanDerWaalsContact O-N 3.11Å; K94-R121 WeakPolarHBondContact CE-O 3.2Å; K94-R121 PolarHBondContact NZ-O 2.81Å; K94-L122 WeakPolarHBondContact CG-O 3.41Å
95D83.2Confident81.8Confident76 Ų7684.9 Ų84.941%0.40641%0.407SS..  trans-66.4113.2177.9175.618.7000110.2L92 N93 K97 A98 I99L92-D95 VanDerWaalsContact O-CB 3.31Å; L92-D95 WeakPolarHBondContact O-CB 3.26Å; L92-D95 PolarHBondContact O-N 3.38Å; N93-D95 PolarHBondContact O-N 3.23Å; D95-K97 PolarHBondContact O-N 3.45Å; D95-K97 PolarHBondContact OD1-N 3.19Å; D95-A98 HydrophobicContact CB-CB 4.04Å; D95-A98 PolarHBondContact O-N 2.9Å; D95-A98 WeakPolarHBondContact OD2-CB 3.36Å; D95-A98 PolarHBondContact OD2-N 3.43Å; D95-A98 VanDerWaalsContact OD2-N 3.12Å; D95-I99 WeakPolarHBondContact O-CB 3.18Å; D95-I99 WeakPolarHBondContact O-CD1 3.43Å; D95-I99 VanDerWaalsContact O-CG1 3.25Å; D95-I99 WeakPolarHBondContact O-CG1 3.35Å; D95-I99 PolarHBondContact O-N 3.49Å
96K80.9Confident81.7Confident171 Ų17184.7 Ų84.774%0.74340%0.403SS*.Hα-helixtrans-56-32.6178.6-68177.9-178.3170.90112K94 K100K94-K96 PolarHBondContact O-N 2.94Å; K94-K96 VanDerWaalsContact O-N 3.11Å; K96-K100 WeakPolarHBondContact O-CB 3.31Å; K96-K100 VanDerWaalsContact O-CG 3.25Å; K96-K100 WeakPolarHBondContact O-CG 3.09Å; K96-K100 PolarHBondContact O-N 2.92Å
97K81.8Confident81.8Confident172 Ų17285.7 Ų85.775%0.74841%0.406SS*.Hα-helixtrans-74.7-51.7179.3-74.7-174.6179.6179.50111D95 I99 K100 K101D95-K97 PolarHBondContact O-N 3.45Å; D95-K97 PolarHBondContact OD1-N 3.19Å; K97-I99 VanDerWaalsContact C-N 3.33Å; K97-I99 PolarHBondContact O-N 2.79Å; K97-K100 PolarHBondContact O-N 3.41Å; K97-K101 PolarHBondContact O-N 2.8Å
98A81.3Confident82Confident31 Ų3180.3 Ų80.326%0.25638%0.384SS..Hα-helixtrans-59.9-41.3177.700000112.7L92 D95 K101 L102L92-A98 HydrophobicContact CD2-CB 3.7Å; D95-A98 HydrophobicContact CB-CB 4.04Å; D95-A98 PolarHBondContact O-N 2.9Å; D95-A98 WeakPolarHBondContact OD2-CB 3.36Å; D95-A98 PolarHBondContact OD2-N 3.43Å; D95-A98 VanDerWaalsContact OD2-N 3.12Å; A98-K101 WeakPolarHBondContact O-CB 3.12Å; A98-K101 PolarHBondContact O-N 3.43Å; A98-L102 PolarHBondContact O-N 2.99Å
99I81.8Confident82.4Confident6 Ų679.4 Ų79.43%0.03138%0.375CS..Hα-helixtrans-65.9-41.3177.3-66.2158.9000111.4D95 K97 K101 L102 A103 L123D95-I99 WeakPolarHBondContact O-CB 3.18Å; D95-I99 WeakPolarHBondContact O-CD1 3.43Å; D95-I99 VanDerWaalsContact O-CG1 3.25Å; D95-I99 WeakPolarHBondContact O-CG1 3.35Å; D95-I99 PolarHBondContact O-N 3.49Å; K97-I99 VanDerWaalsContact C-N 3.33Å; K97-I99 PolarHBondContact O-N 2.79Å; I99-K101 VanDerWaalsContact C-N 3.3Å; I99-K101 PolarHBondContact O-N 3.05Å; I99-L102 PolarHBondContact O-N 2.94Å; I99-A103 VanDerWaalsContact O-CB 3.24Å; I99-A103 WeakPolarHBondContact O-CB 3.29Å; I99-A103 PolarHBondContact O-N 3.08Å; I99-L123 HydrophobicContact CD1-CB 4.39Å; I99-L123 WeakPolarHBondContact CD1-O 3.35Å; I99-L123 HydrophobicContact CG1-CD2 4.35Å
100K81.8Confident82.8Confident106 Ų10679.4 Ų79.446%0.46138%0.375SS..Hα-helixtrans-62.1-39.1173.6-83179.6177.9-174.40111.7K96 K97 A103 K104K96-K100 WeakPolarHBondContact O-CB 3.31Å; K96-K100 VanDerWaalsContact O-CG 3.25Å; K96-K100 WeakPolarHBondContact O-CG 3.09Å; K96-K100 PolarHBondContact O-N 2.92Å; K97-K100 PolarHBondContact O-N 3.41Å; K100-A103 PolarHBondContact O-N 3.19Å; K100-K104 WeakPolarHBondContact O-CB 3.29Å; K100-K104 WeakPolarHBondContact O-CG 3.42Å; K100-K104 PolarHBondContact O-N 3.17Å
101K82.5Confident83.3Confident166 Ų16673.3 Ų73.372%0.72235%0.349SS*.Hα-helixtrans-64.1-47.4177.1-167.5175-179178.30111K97 A98 I99 A103 K104 S105K97-K101 PolarHBondContact O-N 2.8Å; A98-K101 WeakPolarHBondContact O-CB 3.12Å; A98-K101 PolarHBondContact O-N 3.43Å; I99-K101 VanDerWaalsContact C-N 3.3Å; I99-K101 PolarHBondContact O-N 3.05Å; K101-A103 PolarHBondContact O-N 3.07Å; K101-K104 PolarHBondContact O-N 3.06Å; K101-S105 PolarHBondContact O-N 2.91Å; K101-S105 PolarHBondContact O-OG 2.82Å
102L82.2Confident83.6Confident6 Ų665.3 Ų65.33%0.03131%0.314CS..Hα-helixtrans-60.4-44.1175.5-179.267.3000112.4L92 A98 I99 K104 S105 Y106 F109L92-L102 HydrophobicContact CD1-CD2 3.8Å; A98-L102 PolarHBondContact O-N 2.99Å; I99-L102 PolarHBondContact O-N 2.94Å; L102-K104 VanDerWaalsContact C-N 3.26Å; L102-K104 PolarHBondContact O-N 3.41Å; L102-S105 WeakPolarHBondContact CA-OG 3.44Å; L102-S105 PolarHBondContact O-N 2.93Å; L102-S105 PolarHBondContact O-OG 3.17Å; L102-Y106 HydrophobicContact CD1-CD2 3.93Å; L102-Y106 HydrophobicContact CD1-CE2 3.71Å; L102-F109 HydrophobicContact CG-CE1 4.28Å; L102-F109 HydrophobicContact CG-CZ 4.2Å
103A80.8Confident83.9Confident1 Ų169.7 Ų69.71%0.00834%0.335CS..Hα-helixtrans-70.5-22.2-179.600000113.1I99 K100 K101 L127 L130 K132I99-A103 VanDerWaalsContact O-CB 3.24Å; I99-A103 WeakPolarHBondContact O-CB 3.29Å; I99-A103 PolarHBondContact O-N 3.08Å; K100-A103 PolarHBondContact O-N 3.19Å; K101-A103 PolarHBondContact O-N 3.07Å; A103-L127 HydrophobicContact CB-CD2 3.84Å; A103-L130 HydrophobicContact CB-CD1 3.29Å; A103-K132 VanDerWaalsContact O-CD 3.3Å; A103-K132 WeakPolarHBondContact O-CD 3.38Å; A103-K132 WeakPolarHBondContact O-CE 3.37Å; A103-K132 PolarHBondContact O-NZ 3.19Å
104K80Confident84.3Confident154 Ų15465.8 Ų65.867%0.6732%0.318SS*.Hα-helixtrans-81-36.1172.4-79.4-175.1171.2-159.40112.2K100 K101 L102 Y106K100-K104 WeakPolarHBondContact O-CB 3.29Å; K100-K104 WeakPolarHBondContact O-CG 3.42Å; K100-K104 PolarHBondContact O-N 3.17Å; K101-K104 PolarHBondContact O-N 3.06Å; L102-K104 VanDerWaalsContact C-N 3.26Å; L102-K104 PolarHBondContact O-N 3.41Å; K104-Y106 VanDerWaalsContact C-N 3.26Å; K104-Y106 PolarHBondContact O-N 2.95Å
105S80.5Confident84.7Confident64 Ų6459.9 Ų59.945%0.44829%0.293SS..Hα-helixtrans-70.9-14.8-176.553.40000115.3K101 L102K101-S105 PolarHBondContact O-N 2.91Å; K101-S105 PolarHBondContact O-OG 2.82Å; L102-S105 WeakPolarHBondContact CA-OG 3.44Å; L102-S105 PolarHBondContact O-N 2.93Å; L102-S105 PolarHBondContact O-OG 3.17Å
106Y85.4Confident84.9Confident49 Ų4958 Ų5819%0.19228%0.282CS..  trans-130.1143.8178-60.7-73.6000111.3T63 C65 P82 L102 K104 F109 K132T63-Y106 WeakPolarHBondContact OG1-CA 3.13Å; C65-Y106 HydrophobicContact CB-CD1 3.68Å; C65-Y106 HydrophobicContact CB-CD2 3.67Å; C65-Y106 HydrophobicContact CB-CE1 3.96Å; C65-Y106 HydrophobicContact CB-CE2 3.94Å; C65-Y106 HydrophobicContact CB-CG 3.52Å; P82-Y106 HydrophobicContact CB-CE1 3.55Å; P82-Y106 HydrophobicContact CG-CE1 3.81Å; L102-Y106 HydrophobicContact CD1-CD2 3.93Å; L102-Y106 HydrophobicContact CD1-CE2 3.71Å; K104-Y106 VanDerWaalsContact C-N 3.26Å; K104-Y106 PolarHBondContact O-N 2.95Å; Y106-F109 AromaticContact CD2-CE1 3.97Å; Y106-F109 HydrophobicContact CD2-CE1 3.97Å; Y106-F109 HydrophobicContact CD2-CZ 4.02Å; Y106-F109 HydrophobicContact CG-CE1 4.4Å; Y106-F109 HydrophobicContact CG-CZ 4.37Å; Y106-K132 PolarHBondContact O-NZ 2.9Å
107D85.7Confident85.2Confident60 Ų6058.7 Ų58.732%0.32129%0.285SS..SBendtrans-76-42.2179.6-64.6-65.4000112.3M62 T63 K132M62-D107 WeakPolarHBondContact CA-OD2 3.41Å; M62-D107 HydrophobicContact CE-CB 4.28Å; M62-D107 HydrophobicContact CG-CB 3.62Å; T63-D107 PolarHBondContact N-OD2 3.2Å; T63-D107 WeakPolarHBondContact O-CB 3.32Å; T63-D107 PolarHBondContact O-N 3.4Å; T63-D107 PolarHBondContact OG1-N 3.25Å; T63-D107 PolarHBondContact OG1-OD2 3Å; D107-K132 WeakPolarHBondContact O-CE 3.35Å
108A88.2Confident85.3Confident14 Ų1454.7 Ų54.712%0.11627%0.269CS..EExtended strand (participates in β ladder)trans-140.6160.7179.200000112.6M62 T63 V64 C65 V150M62-A108 HydrophobicContact CE-CB 3.44Å; M62-A108 VanDerWaalsContact CE-CB 3.44Å; T63-A108 PolarHBondContact O-N 3.4Å; V64-A108 WeakPolarHBondContact CA-O 3.33Å; V64-A108 HydrophobicContact CG2-CB 4.4Å; C65-A108 PolarHBondContact N-O 3.47Å; A108-V150 HydrophobicContact CB-CG1 3.73Å
109F90.9Very high85.6Confident3 Ų353.3 Ų53.31%0.01326%0.257CS..EExtended strand (participates in β ladder)trans-123.3142.9177.2-65.7-88.9000110.9C65 L67 L102 Y106 L127 K132 P134 T135C65-F109 HydrophobicContact CB-CD1 3.72Å; C65-F109 HydrophobicContact CB-CE1 3.71Å; C65-F109 CarbonylContact O-C 3.53Å; C65-F109 VanDerWaalsContact O-CA 3.25Å; C65-F109 WeakPolarHBondContact O-CA 3.29Å; L67-F109 HydrophobicContact CD1-CD1 4.2Å; L67-F109 HydrophobicContact CD2-CD1 4.45Å; L67-F109 HydrophobicContact CG-CD1 4.27Å; L102-F109 HydrophobicContact CG-CE1 4.28Å; L102-F109 HydrophobicContact CG-CZ 4.2Å; Y106-F109 AromaticContact CD2-CE1 3.97Å; Y106-F109 HydrophobicContact CD2-CE1 3.97Å; Y106-F109 HydrophobicContact CD2-CZ 4.02Å; Y106-F109 HydrophobicContact CG-CE1 4.4Å; Y106-F109 HydrophobicContact CG-CZ 4.37Å; F109-L127 HydrophobicContact CD2-CD2 4.09Å; F109-L127 HydrophobicContact CE2-CD2 3.73Å; F109-L127 HydrophobicContact CZ-CD2 4.16Å; F109-K132 HydrophobicContact CD2-CB 4.15Å; F109-K132 HydrophobicContact CE2-CB 4.33Å; F109-K132 HydrophobicContact CE2-CD 4.47Å; F109-P134 HydrophobicContact CB-CB 3.78Å; F109-P134 HydrophobicContact CB-CG 3.67Å; F109-P134 CarbonylContact O-C 3.54Å; F109-P134 VanDerWaalsContact O-CA 3.22Å; F109-P134 WeakPolarHBondContact O-CA 3.4Å; F109-T135 PolarHBondContact O-N 2.81Å
110L91.3Very high85.7Confident0 Ų056.3 Ų56.30%028%0.277CS..EExtended strand (participates in β ladder)trans-112.9145.7168.1-72.2-179.6000108.5V64 C65 I66 L67 T135 V137 L143 K146 V147 V150V64-L110 HydrophobicContact CG1-CD1 3.97Å; V64-L110 HydrophobicContact CG1-CG 3.85Å; C65-L110 PolarHBondContact O-N 3Å; I66-L110 CarbonylContact C-O 3.36Å; I66-L110 HydrophobicContact CG1-CB 4.14Å; I66-L110 HydrophobicContact CG1-CD1 4.34Å; L67-L110 WeakPolarHBondContact CB-O 3.38Å; L67-L110 PolarHBondContact N-O 3.25Å; L110-T135 CarbonylContact C-O 3.49Å; L110-T135 WeakPolarHBondContact CA-O 3.27Å; L110-V137 HydrophobicContact CB-CG2 3.74Å; L110-V137 HydrophobicContact CD1-CG2 4.07Å; L110-V137 HydrophobicContact CD2-CG2 3.8Å; L110-V137 HydrophobicContact CG-CG2 4.08Å; L110-L143 HydrophobicContact CD1-CD1 4.41Å; L110-K146 HydrophobicContact CD1-CB 4.46Å; L110-K146 HydrophobicContact CD1-CG 4.34Å; L110-K146 HydrophobicContact CD2-CG 4.17Å; L110-V147 HydrophobicContact CD1-CG2 3.6Å; L110-V150 HydrophobicContact CD2-CG2 3.63Å
111A91.5Very high85.8Confident1 Ų160.9 Ų60.91%0.00829%0.292CS..EExtended strand (participates in β ladder)trans-137.7137.8176.700000111.8L67 I116 I119 P134 T135 V136 V137L67-A111 HydrophobicContact CB-CB 4.21Å; L67-A111 VanDerWaalsContact O-CA 3.28Å; L67-A111 WeakPolarHBondContact O-CA 3.25Å; A111-I116 HydrophobicContact CB-CB 4.24Å; A111-I116 HydrophobicContact CB-CG1 4.39Å; A111-I119 HydrophobicContact CB-CD1 3.52Å; A111-P134 HydrophobicContact CB-CB 3.58Å; A111-P134 HydrophobicContact CB-CG 4.35Å; A111-T135 PolarHBondContact N-O 2.82Å; A111-V136 CarbonylContact O-C 3.45Å; A111-V136 WeakPolarHBondContact O-CA 3.18Å; A111-V137 PolarHBondContact O-N 3.43Å
112S90.1Very high85.9Confident1 Ų154.3 Ų54.31%0.00726%0.264CS..EExtended strand (participates in β ladder)trans-60.9147.5171.6-52.60000110.6L67 G68 D69 H72 S114 L115 I116L67-S112 PolarHBondContact O-N 2.73Å; L67-S112 VanDerWaalsContact O-N 3.09Å; G68-S112 VanDerWaalsContact CA-OG 3.28Å; G68-S112 WeakPolarHBondContact CA-OG 3.27Å; D69-S112 PolarHBondContact N-OG 3.2Å; H72-S112 PolarHBondContact CE1-OG 2.81Å; H72-S112 PolarHBondContact ND1-OG 3.17Å; S112-S114 PolarHBondContact O-N 2.93Å; S112-S114 VanDerWaalsContact O-N 3.16Å; S112-L115 PolarHBondContact O-N 2.84Å; S112-I116 PolarHBondContact O-N 3.2Å
113E87.3Confident85.9Confident115 Ų11554.1 Ų54.154%0.53726%0.263SS..Hα-helixtrans-54.4-34.3177.3-169.7173.5-175.500113L115 V136 V137E113-L115 VanDerWaalsContact C-N 3.27Å; E113-L115 PolarHBondContact O-N 2.78Å; E113-V136 HydrophobicContact CB-CG2 4.06Å; E113-V136 HydrophobicContact CG-CG2 4.37Å; E113-V137 PolarHBondContact N-O 3.17Å
114S85.6Confident86Confident59 Ų5954.9 Ų54.941%0.41327%0.271SS..Hα-helixtrans-64.6-26.9175.456.50000113.9D69 S112 Q118D69-S114 PolarHBondContact OD2-OG 3.22Å; S112-S114 PolarHBondContact O-N 2.93Å; S112-S114 VanDerWaalsContact O-N 3.16Å; S114-Q118 PolarHBondContact O-NE2 2.85Å
115L86.1Confident86Confident3 Ų352.4 Ų52.42%0.01627%0.271CS..Hα-helixtrans-104.8-30.9-170.7-94.6154.3000114.1G68 V86 S112 E113 K117 Q118 I119G68-L115 WeakPolarHBondContact O-CD1 3.31Å; V86-L115 HydrophobicContact CB-CD2 4.29Å; V86-L115 HydrophobicContact CG1-CD2 4.17Å; V86-L115 HydrophobicContact CG2-CD1 3.94Å; V86-L115 HydrophobicContact CG2-CD2 3.48Å; V86-L115 VanDerWaalsContact CG2-CD2 3.48Å; V86-L115 HydrophobicContact CG2-CG 4.09Å; S112-L115 PolarHBondContact O-N 2.84Å; E113-L115 VanDerWaalsContact C-N 3.27Å; E113-L115 PolarHBondContact O-N 2.78Å; L115-K117 PolarHBondContact O-N 3.46Å; L115-K117 VanDerWaalsContact O-N 3.08Å; L115-Q118 WeakPolarHBondContact O-CA 3.36Å; L115-Q118 WeakPolarHBondContact O-CB 3.09Å; L115-Q118 PolarHBondContact O-N 3.09Å; L115-I119 WeakPolarHBondContact O-CG1 3.47Å; L115-I119 PolarHBondContact O-N 3.27Å
116I86.5Confident86Confident35 Ų3550.4 Ų50.418%0.17926%0.26CS..Hα-helixtrans-55.5-35.1-171.8-161.9166.7000113.5A111 S112 Q118 I119 P120 F133 V136A111-I116 HydrophobicContact CB-CB 4.24Å; A111-I116 HydrophobicContact CB-CG1 4.39Å; S112-I116 PolarHBondContact O-N 3.2Å; I116-Q118 VanDerWaalsContact C-N 3.33Å; I116-Q118 PolarHBondContact O-N 2.78Å; I116-I119 PolarHBondContact O-N 2.85Å; I116-P120 WeakPolarHBondContact O-CD 3.38Å; I116-F133 HydrophobicContact CD1-CE1 4.13Å; I116-F133 HydrophobicContact CG1-CE1 3.86Å; I116-F133 HydrophobicContact CG1-CZ 4.22Å; I116-V136 HydrophobicContact CD1-CB 3.81Å; I116-V136 HydrophobicContact CD1-CG2 4.44Å
117K86.8Confident85.8Confident186 Ų18648.2 Ų48.281%0.80925%0.251SS*.THydrogen-bonded Turntrans-70-27.4176.4-66.1-179.2-178.3172.50113.1L115L115-K117 PolarHBondContact O-N 3.46Å; L115-K117 VanDerWaalsContact O-N 3.08Å
118Q86Confident85.5Confident89 Ų8950.5 Ų50.542%0.41626%0.264SS..THydrogen-bonded Turntrans-84.9-22.6-179.6-55.4-174.243.500112.3S114 L115 I116 R121 L122S114-Q118 PolarHBondContact O-NE2 2.85Å; L115-Q118 WeakPolarHBondContact O-CA 3.36Å; L115-Q118 WeakPolarHBondContact O-CB 3.09Å; L115-Q118 PolarHBondContact O-N 3.09Å; I116-Q118 VanDerWaalsContact C-N 3.33Å; I116-Q118 PolarHBondContact O-N 2.78Å; Q118-R121 WeakPolarHBondContact O-CA 3.28Å; Q118-R121 WeakPolarHBondContact O-CB 3.47Å; Q118-R121 PolarHBondContact O-N 3.25Å; Q118-L122 HydrophobicContact CB-CD1 4.02Å; Q118-L122 HydrophobicContact CB-CG 4.45Å; Q118-L122 WeakPolarHBondContact O-CG 3.25Å; Q118-L122 PolarHBondContact O-N 2.93Å
119I86.3Confident85Confident2 Ų259.1 Ų59.11%0.0129%0.293CS..Hα-helixtrans-57-47.3-175.2-69.2175.9000113.3L67 A111 L115 I116 R121 L122 L123 L127 F133 P134L67-I119 HydrophobicContact CB-CD1 4.35Å; L67-I119 HydrophobicContact CD1-CD1 3.84Å; A111-I119 HydrophobicContact CB-CD1 3.52Å; L115-I119 WeakPolarHBondContact O-CG1 3.47Å; L115-I119 PolarHBondContact O-N 3.27Å; I116-I119 PolarHBondContact O-N 2.85Å; I119-R121 PolarHBondContact O-N 2.93Å; I119-L122 PolarHBondContact O-N 3.34Å; I119-L123 HydrophobicContact CG2-CD1 4.24Å; I119-L123 PolarHBondContact O-N 3.26Å; I119-L127 HydrophobicContact CG2-CD1 4.2Å; I119-F133 HydrophobicContact CG2-CE2 4.15Å; I119-P134 HydrophobicContact CD1-CB 4.35Å; I119-P134 HydrophobicContact CD1-CG 3.84Å
120P84.9Confident84.4Confident68 Ų6862.8 Ų62.844%0.44231%0.312SS..Hα-helixtrans-60.4-31.2174.6-24.133.9000113.5I116 G124 F133I116-P120 WeakPolarHBondContact O-CD 3.38Å; P120-G124 WeakPolarHBondContact O-CA 3.26Å; P120-G124 PolarHBondContact O-N 2.87Å; P120-G124 VanDerWaalsContact O-N 3.08Å; P120-F133 HydrophobicContact CG-CE2 4.06Å; P120-F133 HydrophobicContact CG-CZ 4.18Å
121R83.4Confident83.8Confident203 Ų20365.2 Ų65.277%0.76634%0.338SS*.Hα-helixtrans-74.9-37177.5-173.1-179.2179.5-170.40.9111.9K94 Q118 I119K94-R121 WeakPolarHBondContact CE-O 3.2Å; K94-R121 PolarHBondContact NZ-O 2.81Å; Q118-R121 WeakPolarHBondContact O-CA 3.28Å; Q118-R121 WeakPolarHBondContact O-CB 3.47Å; Q118-R121 PolarHBondContact O-N 3.25Å; I119-R121 PolarHBondContact O-N 2.93Å
122L83.8Confident83.5Confident27 Ų2767.7 Ų67.714%0.14135%0.348CS..Hα-helixtrans-83.4-48.1-176-66.6173.1000112.6V86 L89 K90 K94 Q118 I119V86-L122 HydrophobicContact CG1-CD1 4.05Å; L89-L122 HydrophobicContact CB-CD1 4.35Å; K90-L122 HydrophobicContact CG-CD2 3.72Å; K94-L122 WeakPolarHBondContact CG-O 3.41Å; Q118-L122 HydrophobicContact CB-CD1 4.02Å; Q118-L122 HydrophobicContact CB-CG 4.45Å; Q118-L122 WeakPolarHBondContact O-CG 3.25Å; Q118-L122 PolarHBondContact O-N 2.93Å; I119-L122 PolarHBondContact O-N 3.34Å
123L82.8Confident83.3Confident3 Ų371.4 Ų71.42%0.01636%0.364CS..Hα-helixtrans-100.9-6.1-176.1-58.5-174.3000113.6L89 L92 I99 I119 L127L89-L123 HydrophobicContact CB-CD2 4.45Å; L89-L123 HydrophobicContact CD2-CD1 3.88Å; L89-L123 HydrophobicContact CD2-CD2 3.91Å; L89-L123 HydrophobicContact CD2-CG 4.17Å; L92-L123 HydrophobicContact CB-CD2 4.26Å; L92-L123 HydrophobicContact CD1-CD2 3.56Å; I99-L123 HydrophobicContact CD1-CB 4.39Å; I99-L123 WeakPolarHBondContact CD1-O 3.35Å; I99-L123 HydrophobicContact CG1-CD2 4.35Å; I119-L123 HydrophobicContact CG2-CD1 4.24Å; I119-L123 PolarHBondContact O-N 3.26Å; L123-L127 HydrophobicContact CD1-CD1 3.5Å; L123-L127 VanDerWaalsContact CD1-CD1 3.5Å; L123-L127 HydrophobicContact CD1-CG 4.08Å
124G82.2Confident83.3Confident17 Ų1766.2 Ų66.218%0.17534%0.34CS..THydrogen-bonded Turntrans64.6-162-171.900000112.6P120 G126P120-G124 WeakPolarHBondContact O-CA 3.26Å; P120-G124 PolarHBondContact O-N 2.87Å; P120-G124 VanDerWaalsContact O-N 3.08Å; G124-G126 PolarHBondContact O-N 3.18Å; G124-G126 VanDerWaalsContact O-N 3.16Å
125P81.3Confident83.5Confident102 Ų10266.5 Ų66.566%0.66234%0.34SS*.THydrogen-bonded Turntrans-774.1-176.332-36.1000114.1L127 N128 R129P125-L127 PolarHBondContact O-N 2.87Å; P125-N128 PolarHBondContact O-N 3.49Å; P125-R129 WeakPolarHBondContact O-CB 3.42Å; P125-R129 PolarHBondContact O-N 2.86Å
126G80.1Confident83.7Confident21 Ų2169.5 Ų69.522%0.21636%0.358CS..Hα-helixtrans-57.3-48.1-168.400000114.3G124 L130G124-G126 PolarHBondContact O-N 3.18Å; G124-G126 VanDerWaalsContact O-N 3.16Å; G126-L130 WeakPolarHBondContact O-CG 3.29Å; G126-L130 PolarHBondContact O-N 3.35Å
127L80.8Confident83.9Confident3 Ų367.9 Ų67.92%0.01635%0.35CS..Hα-helixtrans-66.2-41.2177.7-70.1-179.2000112.3A103 F109 I119 L123 P125 L130 G131 K132 P134A103-L127 HydrophobicContact CB-CD2 3.84Å; F109-L127 HydrophobicContact CD2-CD2 4.09Å; F109-L127 HydrophobicContact CE2-CD2 3.73Å; F109-L127 HydrophobicContact CZ-CD2 4.16Å; I119-L127 HydrophobicContact CG2-CD1 4.2Å; L123-L127 HydrophobicContact CD1-CD1 3.5Å; L123-L127 VanDerWaalsContact CD1-CD1 3.5Å; L123-L127 HydrophobicContact CD1-CG 4.08Å; P125-L127 PolarHBondContact O-N 2.87Å; L127-L130 PolarHBondContact O-N 2.92Å; L127-G131 PolarHBondContact O-N 2.92Å; L127-K132 CarbonylContact O-C 3.52Å; L127-K132 PolarHBondContact O-N 3.29Å; L127-P134 HydrophobicContact CD1-CG 4.09Å
128N80.4Confident83.9Confident109 Ų10960.7 Ų60.758%0.58332%0.323SS*.Hα-helixtrans-66.6-41.5179.3-165.515.8000111.4P125 L130 G131 F133P125-N128 PolarHBondContact O-N 3.49Å; N128-L130 PolarHBondContact O-N 3.26Å; N128-G131 PolarHBondContact O-N 3.06Å; N128-F133 HydrophobicContact CB-CD2 4.22Å
129R78.1Confident83.7Confident195 Ų19559.9 Ų59.974%0.73632%0.319SS*.Hα-helixtrans-62.2-31176.8-171.6179124159.85.5112.8P125 G131P125-R129 WeakPolarHBondContact O-CB 3.42Å; P125-R129 PolarHBondContact O-N 2.86Å; R129-G131 VanDerWaalsContact C-N 3.31Å
130L76.5Confident83.5Confident79 Ų7967.3 Ų67.341%0.41436%0.359SS..THydrogen-bonded Turntrans-87.10.1175.5-67.9171.3000113.1A103 G126 L127 N128 K132A103-L130 HydrophobicContact CB-CD1 3.29Å; G126-L130 WeakPolarHBondContact O-CG 3.29Å; G126-L130 PolarHBondContact O-N 3.35Å; L127-L130 PolarHBondContact O-N 2.92Å; N128-L130 PolarHBondContact O-N 3.26Å; L130-K132 PolarHBondContact O-N 3.37Å
131G79.4Confident83.4Confident51 Ų5168 Ų6853%0.52636%0.356SS..THydrogen-bonded Turntrans73.312.9179.800000114.5L127 N128 R129L127-G131 PolarHBondContact O-N 2.92Å; N128-G131 PolarHBondContact O-N 3.06Å; R129-G131 VanDerWaalsContact C-N 3.31Å
132K85.5Confident83.5Confident54 Ų5462.5 Ų62.524%0.23535%0.345CS..  trans-111.441.5-177.4-62.3-174.8176.5-174.40111.5A103 Y106 D107 F109 L127 L130A103-K132 VanDerWaalsContact O-CD 3.3Å; A103-K132 WeakPolarHBondContact O-CD 3.38Å; A103-K132 WeakPolarHBondContact O-CE 3.37Å; A103-K132 PolarHBondContact O-NZ 3.19Å; Y106-K132 PolarHBondContact O-NZ 2.9Å; D107-K132 WeakPolarHBondContact O-CE 3.35Å; F109-K132 HydrophobicContact CD2-CB 4.15Å; F109-K132 HydrophobicContact CE2-CB 4.33Å; F109-K132 HydrophobicContact CE2-CD 4.47Å; L127-K132 CarbonylContact O-C 3.52Å; L127-K132 PolarHBondContact O-N 3.29Å; L130-K132 PolarHBondContact O-N 3.37Å
133F86.2Confident83.5Confident79 Ų7961.2 Ų61.235%0.34634%0.338SS..PPolyproline II helixtrans-66.7136.5175.7-165.2-97.2000109.7I116 I119 P120 N128I116-F133 HydrophobicContact CD1-CE1 4.13Å; I116-F133 HydrophobicContact CG1-CE1 3.86Å; I116-F133 HydrophobicContact CG1-CZ 4.22Å; I119-F133 HydrophobicContact CG2-CE2 4.15Å; P120-F133 HydrophobicContact CG-CE2 4.06Å; P120-F133 HydrophobicContact CG-CZ 4.18Å; N128-F133 HydrophobicContact CB-CD2 4.22Å
134P87.9Confident83.6Confident5 Ų565.5 Ų65.53%0.03236%0.361CS..PPolyproline II helixtrans-63.1143.2-174.1-22.933.8000113.5L67 F109 A111 I119 L127L67-P134 HydrophobicContact CD1-CG 3.93Å; F109-P134 HydrophobicContact CB-CB 3.78Å; F109-P134 HydrophobicContact CB-CG 3.67Å; F109-P134 CarbonylContact O-C 3.54Å; F109-P134 VanDerWaalsContact O-CA 3.22Å; F109-P134 WeakPolarHBondContact O-CA 3.4Å; A111-P134 HydrophobicContact CB-CB 3.58Å; A111-P134 HydrophobicContact CB-CG 4.35Å; I119-P134 HydrophobicContact CD1-CB 4.35Å; I119-P134 HydrophobicContact CD1-CG 3.84Å; L127-P134 HydrophobicContact CD1-CG 4.09Å
135T89.9Confident83.8Confident65 Ų6567.7 Ų67.740%0.39937%0.374SS..EExtended strand (participates in β ladder)trans-83.5140.6170.4-51.90000109.5F109 L110 A111F109-T135 PolarHBondContact O-N 2.81Å; L110-T135 CarbonylContact C-O 3.49Å; L110-T135 WeakPolarHBondContact CA-O 3.27Å; A111-T135 PolarHBondContact N-O 2.82Å
136V90.2Very high84.1Confident67 Ų6763.8 Ų63.841%0.40635%0.346SS..EExtended strand (participates in β ladder)trans-71.5139.1-17963.60000111.7A111 E113 I116A111-V136 CarbonylContact O-C 3.45Å; A111-V136 WeakPolarHBondContact O-CA 3.18Å; E113-V136 HydrophobicContact CB-CG2 4.06Å; E113-V136 HydrophobicContact CG-CG2 4.37Å; I116-V136 HydrophobicContact CD1-CB 3.81Å; I116-V136 HydrophobicContact CD1-CG2 4.44Å
137V89.5Confident84.5Confident1 Ų163 Ų631%0.00634%0.337CS..EExtended strand (participates in β ladder)trans-121.1130.5171-170.80000108.5L110 A111 E113 L143 K146L110-V137 HydrophobicContact CB-CG2 3.74Å; L110-V137 HydrophobicContact CD1-CG2 4.07Å; L110-V137 HydrophobicContact CD2-CG2 3.8Å; L110-V137 HydrophobicContact CG-CG2 4.08Å; A111-V137 PolarHBondContact O-N 3.43Å; E113-V137 PolarHBondContact N-O 3.17Å; V137-L143 HydrophobicContact CG1-CD1 4.45Å; V137-K146 HydrophobicContact CG1-CB 4.47Å; V137-K146 HydrophobicContact CG1-CG 4.31Å; V137-K146 HydrophobicContact CG2-CG 3.8Å
138S87.4Confident84.8Confident34 Ų3467.2 Ų67.224%0.23836%0.357CS..  trans-98.9151.1174.6-179.90000109.8N140 E141S138-N140 PolarHBondContact O-N 3.47Å; S138-N140 VanDerWaalsContact O-N 3.1Å; S138-E141 PolarHBondContact O-N 2.59Å; S138-E141 VanDerWaalsContact O-N 3.16Å
139H81.6Confident85.2Confident73 Ų7365 Ų6534%0.33834%0.343SS..THydrogen-bonded Turntrans-64.3-10.8177.2-58.579.6000114.4D69 Q71 H72D69-H139 IonicContact OD1-NE2 2.61Å; D69-H139 IonicContact OD2-CE1 3.73Å; D69-H139 PolarHBondContact OD2-CE1 2.91Å; D69-H139 VanDerWaalsContact OD2-CE1 3.25Å; D69-H139 IonicContact OD2-NE2 3.73Å; D69-H139 PolarHBondContact OD2-NE2 3.38Å; Q71-H139 PolarHBondContact OE1-CD2 3.44Å; H72-H139 AromaticContact CE1-CD2 3.46Å; H72-H139 PolarHBondContact CE1-CD2 3.48Å; H72-H139 VanDerWaalsContact CE1-CD2 3.46Å; H72-H139 AromaticContact CE1-CE1 3.6Å; H72-H139 AromaticContact CE1-CG 3.77Å; H72-H139 AromaticContact CE1-ND1 3.84Å; H72-H139 AromaticContact CE1-NE2 3.35Å; H72-H139 PolarHBondContact CE1-NE2 3.07Å; H72-H139 AromaticContact ND1-CD2 3.97Å; H72-H139 AromaticContact ND1-NE2 3.63Å
140N82.8Confident85.8Confident157 Ų15756.5 Ų56.584%0.8431%0.313SS*.THydrogen-bonded Turntrans-86-9.6177.3-64.5-16.1000113.3S138S138-N140 PolarHBondContact O-N 3.47Å; S138-N140 VanDerWaalsContact O-N 3.1Å
141E82.1Confident86.4Confident83 Ų8354.9 Ų54.939%0.38830%0.302SS..SBendtrans-108.4144.6179.9-64.4-179.6-177.500109.9S138 K146S138-E141 PolarHBondContact O-N 2.59Å; S138-E141 VanDerWaalsContact O-N 3.16Å; E141-K146 IonicContact OE1-NZ 3.1Å; E141-K146 WeakPolarHBondContact OE2-CD 3.46Å; E141-K146 WeakPolarHBondContact OE2-CE 3.22Å; E141-K146 IonicContact OE2-NZ 3.1Å; E141-K146 PolarHBondContact OE2-NZ 3.29Å
142T84.2Confident86.9Confident87 Ų8752.7 Ų52.753%0.53428%0.279SS..  trans-74.5137172.260.20000110.1L144 S145 K146T142-L144 PolarHBondContact O-N 3.3Å; T142-S145 PolarHBondContact O-N 3.29Å; T142-S145 VanDerWaalsContact O-N 3.11Å; T142-S145 VanDerWaalsContact OG1-CB 3.22Å; T142-S145 WeakPolarHBondContact OG1-CB 3.44Å; T142-K146 PolarHBondContact O-N 3.18Å; T142-K146 VanDerWaalsContact O-N 3.16Å
143L84.9Confident87.1Confident0 Ų052.2 Ų52.20%028%0.28CS..Hα-helixtrans-60.1-37.5-176.5-174.165.3000112I66 E75 A76 L81 L110 V137 K146 V147I66-L143 HydrophobicContact CD1-CD1 3.62Å; I66-L143 HydrophobicContact CD1-CD2 3.34Å; I66-L143 HydrophobicContact CD1-CG 3.68Å; I66-L143 HydrophobicContact CG1-CD1 3.97Å; I66-L143 HydrophobicContact CG1-CD2 4.49Å; I66-L143 HydrophobicContact CG2-CD1 4.19Å; E75-L143 HydrophobicContact CB-CD2 4.27Å; E75-L143 VanDerWaalsContact CD-CB 3.47Å; E75-L143 HydrophobicContact CG-CB 4.06Å; E75-L143 HydrophobicContact CG-CD2 4.17Å; E75-L143 WeakPolarHBondContact OE1-CB 3.28Å; E75-L143 PolarHBondContact OE1-N 3.17Å; A76-L143 HydrophobicContact CB-CD2 3.74Å; L81-L143 HydrophobicContact CD1-CD2 3.92Å; L81-L143 HydrophobicContact CD1-CG 4.11Å; L110-L143 HydrophobicContact CD1-CD1 4.41Å; V137-L143 HydrophobicContact CG1-CD1 4.45Å; L143-K146 PolarHBondContact O-N 3.17Å; L143-V147 VanDerWaalsContact O-CG2 3.29Å; L143-V147 WeakPolarHBondContact O-CG2 2.99Å; L143-V147 PolarHBondContact O-N 2.85Å
144L85.4Confident87.4Confident93 Ų9349 Ų4949%0.48727%0.267SS..Hα-helixtrans-61.3-45.2175.5-74.7173.3000112.5N79 L81 T142 K146 V147 E148N79-L144 HydrophobicContact CB-CD2 4.25Å; N79-L144 WeakPolarHBondContact OD1-CD1 3.47Å; L81-L144 HydrophobicContact CD1-CD2 4.38Å; T142-L144 PolarHBondContact O-N 3.3Å; L144-K146 PolarHBondContact O-N 3.41Å; L144-V147 PolarHBondContact O-N 3.22Å; L144-E148 WeakPolarHBondContact O-CB 3.46Å; L144-E148 PolarHBondContact O-N 3.35Å
145S86.2Confident87.4Confident64 Ų6453.3 Ų53.345%0.44829%0.286SS..Hα-helixtrans-61-39.8177.7-178.90000110.6T142 E148 E149T142-S145 PolarHBondContact O-N 3.29Å; T142-S145 VanDerWaalsContact O-N 3.11Å; T142-S145 VanDerWaalsContact OG1-CB 3.22Å; T142-S145 WeakPolarHBondContact OG1-CB 3.44Å; S145-E148 PolarHBondContact O-N 3.22Å; S145-E149 WeakPolarHBondContact O-CB 3.35Å; S145-E149 PolarHBondContact O-N 3.45Å
146K87.9Confident87.5Confident19 Ų1950.3 Ų50.38%0.08327%0.267CS..Hα-helixtrans-72.1-37.1179.6-159.450.5156.8-151.30113.4L110 V137 E141 T142 L143 L144 E148 E149 V150L110-K146 HydrophobicContact CD1-CB 4.46Å; L110-K146 HydrophobicContact CD1-CG 4.34Å; L110-K146 HydrophobicContact CD2-CG 4.17Å; V137-K146 HydrophobicContact CG1-CB 4.47Å; V137-K146 HydrophobicContact CG1-CG 4.31Å; V137-K146 HydrophobicContact CG2-CG 3.8Å; E141-K146 IonicContact OE1-NZ 3.1Å; E141-K146 WeakPolarHBondContact OE2-CD 3.46Å; E141-K146 WeakPolarHBondContact OE2-CE 3.22Å; E141-K146 IonicContact OE2-NZ 3.1Å; E141-K146 PolarHBondContact OE2-NZ 3.29Å; T142-K146 PolarHBondContact O-N 3.18Å; T142-K146 VanDerWaalsContact O-N 3.16Å; L143-K146 PolarHBondContact O-N 3.17Å; L144-K146 PolarHBondContact O-N 3.41Å; K146-E148 VanDerWaalsContact C-N 3.34Å; K146-E149 HydrophobicContact CD-CB 4.37Å; K146-E149 WeakPolarHBondContact CD-OE2 3.47Å; K146-E149 WeakPolarHBondContact CE-OE2 3.16Å; K146-E149 IonicContact NZ-OE1 2.64Å; K146-E149 PolarHBondContact NZ-OE1 3.21Å; K146-E149 IonicContact NZ-OE2 3.65Å; K146-E149 PolarHBondContact NZ-OE2 3.44Å; K146-E149 WeakPolarHBondContact O-CB 3.47Å; K146-E149 PolarHBondContact O-N 3.47Å; K146-V150 WeakPolarHBondContact O-CG2 3.33Å; K146-V150 PolarHBondContact O-N 2.76Å
147V88.1Confident87.2Confident5 Ų551 Ų513%0.0327%0.266CS..Hα-helixtrans-62.3-44172.3169.30000110.5V64 L81 L110 L143 L144 E149 V150 K151V64-V147 HydrophobicContact CB-CG1 4.4Å; V64-V147 HydrophobicContact CG1-CG2 4.37Å; V64-V147 HydrophobicContact CG2-CG1 4.3Å; L81-V147 HydrophobicContact CD1-CG2 4.04Å; L110-V147 HydrophobicContact CD1-CG2 3.6Å; L143-V147 VanDerWaalsContact O-CG2 3.29Å; L143-V147 WeakPolarHBondContact O-CG2 2.99Å; L143-V147 PolarHBondContact O-N 2.85Å; L144-V147 PolarHBondContact O-N 3.22Å; V147-E149 VanDerWaalsContact C-N 3.35Å; V147-V150 PolarHBondContact O-N 3.44Å; V147-K151 HydrophobicContact CG1-CD 4.15Å; V147-K151 HydrophobicContact CG1-CG 4.43Å; V147-K151 WeakPolarHBondContact O-CB 3.5Å; V147-K151 WeakPolarHBondContact O-CG 3.03Å; V147-K151 PolarHBondContact O-N 2.91Å
148E87.5Confident86.9Confident92 Ų9251.1 Ų51.143%0.4327%0.266SS..Hα-helixtrans-66.9-37.1178-167.563.7-170.700112V57 L144 S145 K146 K151 S152V57-E148 WeakPolarHBondContact CG2-OE1 3.4Å; L144-E148 WeakPolarHBondContact O-CB 3.46Å; L144-E148 PolarHBondContact O-N 3.35Å; S145-E148 PolarHBondContact O-N 3.22Å; K146-E148 VanDerWaalsContact C-N 3.34Å; E148-K151 PolarHBondContact O-N 3.24Å; E148-S152 WeakPolarHBondContact O-CB 3.34Å; E148-S152 PolarHBondContact O-N 2.98Å; E148-S152 PolarHBondContact O-OG 2.97Å
149E88.9Confident86.7Confident63 Ų6356.2 Ų56.229%0.29428%0.284SS..Hα-helixtrans-58.7-46.8170.8-171.2-168.7148.900111.3S145 K146 V147 S152 T153S145-E149 WeakPolarHBondContact O-CB 3.35Å; S145-E149 PolarHBondContact O-N 3.45Å; K146-E149 HydrophobicContact CD-CB 4.37Å; K146-E149 WeakPolarHBondContact CD-OE2 3.47Å; K146-E149 WeakPolarHBondContact CE-OE2 3.16Å; K146-E149 IonicContact NZ-OE1 2.64Å; K146-E149 PolarHBondContact NZ-OE1 3.21Å; K146-E149 IonicContact NZ-OE2 3.65Å; K146-E149 PolarHBondContact NZ-OE2 3.44Å; K146-E149 WeakPolarHBondContact O-CB 3.47Å; K146-E149 PolarHBondContact O-N 3.47Å; V147-E149 VanDerWaalsContact C-N 3.35Å; E149-S152 WeakPolarHBondContact CA-OG 3.29Å; E149-S152 PolarHBondContact O-N 3.3Å; E149-S152 PolarHBondContact O-OG 3.31Å; E149-S152 VanDerWaalsContact O-OG 3.1Å; E149-T153 VanDerWaalsContact O-CB 3.28Å; E149-T153 WeakPolarHBondContact O-CB 3.2Å; E149-T153 PolarHBondContact O-N 2.98Å; E149-T153 PolarHBondContact O-OG1 3.35Å
150V89.8Confident86.6Confident15 Ų1560.6 Ų60.69%0.09130%0.302CS..Hα-helixtrans-65.8-41177.9169.60000111.8M62 V64 A108 L110 K146 V147 S152 T153M62-V150 HydrophobicContact CE-CG1 3.82Å; V64-V150 HydrophobicContact CG2-CG1 4.42Å; A108-V150 HydrophobicContact CB-CG1 3.73Å; L110-V150 HydrophobicContact CD2-CG2 3.63Å; K146-V150 WeakPolarHBondContact O-CG2 3.33Å; K146-V150 PolarHBondContact O-N 2.76Å; V147-V150 PolarHBondContact O-N 3.44Å; V150-S152 VanDerWaalsContact C-N 3.3Å; V150-S152 PolarHBondContact O-N 3.05Å; V150-T153 PolarHBondContact O-N 3.27Å
151K89.2Confident86.7Confident46 Ų4657 Ų5720%0.229%0.286CS..Hα-helixtrans-64.9-33.8177.7-75.8-178.8178.9-178.10112.9V57 P58 M62 V64 V147 E148V57-K151 HydrophobicContact CG1-CB 3.85Å; V57-K151 HydrophobicContact CG2-CB 4Å; P58-K151 WeakPolarHBondContact CD-O 3.39Å; M62-K151 HydrophobicContact CB-CG 4.36Å; M62-K151 WeakPolarHBondContact O-CE 3.47Å; M62-K151 HydrophobicContact SD-CG 4.39Å; V64-K151 HydrophobicContact CG2-CG 4.38Å; V147-K151 HydrophobicContact CG1-CD 4.15Å; V147-K151 HydrophobicContact CG1-CG 4.43Å; V147-K151 WeakPolarHBondContact O-CB 3.5Å; V147-K151 WeakPolarHBondContact O-CG 3.03Å; V147-K151 PolarHBondContact O-N 2.91Å; E148-K151 PolarHBondContact O-N 3.24Å
152S89.6Confident86.9Confident5 Ų555.8 Ų55.84%0.03528%0.282CS..Hα-helixtrans-85.8-12.1177.354.30000113.4R53 L54 E148 E149 V150R53-S152 PolarHBondContact NE-OG 2.82Å; L54-S152 WeakPolarHBondContact CB-O 3.31Å; L54-S152 PolarHBondContact N-O 3.34Å; E148-S152 WeakPolarHBondContact O-CB 3.34Å; E148-S152 PolarHBondContact O-N 2.98Å; E148-S152 PolarHBondContact O-OG 2.97Å; E149-S152 WeakPolarHBondContact CA-OG 3.29Å; E149-S152 PolarHBondContact O-N 3.3Å; E149-S152 PolarHBondContact O-OG 3.31Å; E149-S152 VanDerWaalsContact O-OG 3.1Å; V150-S152 VanDerWaalsContact C-N 3.3Å; V150-S152 PolarHBondContact O-N 3.05Å
153T91Very high87Confident43 Ų4355.4 Ų55.426%0.26428%0.282SS..EExtended strand (participates in β ladder)trans-90127.9-178.2-63.30000112.1N51 V52 E149 V150N51-T153 HydrophobicContact CB-CG2 3.8Å; V52-T153 WeakPolarHBondContact O-CA 3.46Å; E149-T153 VanDerWaalsContact O-CB 3.28Å; E149-T153 WeakPolarHBondContact O-CB 3.2Å; E149-T153 PolarHBondContact O-N 2.98Å; E149-T153 PolarHBondContact O-OG1 3.35Å; V150-T153 PolarHBondContact O-N 3.27Å
154V90.9Very high87.1Confident12 Ų1256.1 Ų56.17%0.07329%0.285CS..EExtended strand (participates in β ladder)trans-112.5144.2173.7-60.30000110.9N51 V52 L54 P58 F156 A167N51-V154 CarbonylContact C-O 3.58Å; N51-V154 WeakPolarHBondContact CA-O 3.5Å; V52-V154 HydrophobicContact CG1-CG2 3.45Å; V52-V154 VanDerWaalsContact CG1-CG2 3.45Å; V52-V154 PolarHBondContact N-O 3.21Å; V52-V154 PolarHBondContact O-N 3.39Å; L54-V154 HydrophobicContact CD1-CG1 3.61Å; L54-V154 HydrophobicContact CD1-CG2 4.07Å; L54-V154 HydrophobicContact CD2-CG2 4.09Å; L54-V154 HydrophobicContact CG-CG1 4.12Å; L54-V154 HydrophobicContact CG-CG2 3.96Å; P58-V154 HydrophobicContact CG-CG1 4.13Å; V154-F156 HydrophobicContact CG2-CE2 4.36Å; V154-A167 VanDerWaalsContact CG1-O 3.26Å; V154-A167 WeakPolarHBondContact CG1-O 3.34Å
155K88.7Confident87.2Confident96 Ų9653.9 Ų53.942%0.41729%0.285SS..EExtended strand (participates in β ladder)trans-109.7117-177.9-179.6174.5-167.4-166.50111.1S49 G50 N51 Q157S49-K155 WeakPolarHBondContact OG-CE 3.22Å; G50-K155 WeakPolarHBondContact O-CA 3.46Å; N51-K155 WeakPolarHBondContact OD1-CB 3.45Å; N51-K155 WeakPolarHBondContact OD1-CG 3.43Å; K155-Q157 HydrophobicContact CG-CB 4.25Å
156F91Very high87.4Confident1 Ų151.3 Ų51.30%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-87.1114.3165.2-73.4-80.4000109S49 G50 V52 V154 V166 A185 F188 L189 L192S49-F156 CarbonylContact C-O 3.51Å; S49-F156 VanDerWaalsContact CA-O 3.26Å; S49-F156 WeakPolarHBondContact CA-O 3.28Å; G50-F156 PolarHBondContact N-O 3.36Å; G50-F156 PolarHBondContact O-N 2.85Å; V52-F156 HydrophobicContact CG1-CD2 4.22Å; V52-F156 HydrophobicContact CG1-CE2 3.96Å; V154-F156 HydrophobicContact CG2-CE2 4.36Å; F156-V166 HydrophobicContact CD1-CG1 3.75Å; F156-V166 HydrophobicContact CD1-CG2 4.34Å; F156-V166 HydrophobicContact CE1-CB 4.26Å; F156-V166 HydrophobicContact CE1-CG1 3.73Å; F156-V166 HydrophobicContact CE1-CG2 3.46Å; F156-V166 VanDerWaalsContact CE1-CG2 3.46Å; F156-V166 HydrophobicContact CE2-CG2 4.36Å; F156-V166 HydrophobicContact CG-CG1 4.28Å; F156-V166 HydrophobicContact CZ-CB 4.45Å; F156-V166 HydrophobicContact CZ-CG1 4.24Å; F156-V166 HydrophobicContact CZ-CG2 3.5Å; F156-V166 VanDerWaalsContact CZ-CG2 3.5Å; F156-A185 HydrophobicContact CE2-CB 4.22Å; F156-A185 HydrophobicContact CZ-CB 4.03Å; F156-F188 AromaticContact CD2-CD1 3.76Å; F156-F188 HydrophobicContact CD2-CD1 3.76Å; F156-F188 HydrophobicContact CD2-CE1 4.11Å; F156-F188 HydrophobicContact CE2-CD1 4.19Å; F156-L189 HydrophobicContact CB-CD1 4.39Å; F156-L189 HydrophobicContact CD1-CB 4.25Å; F156-L189 HydrophobicContact CD1-CD1 3.71Å; F156-L189 HydrophobicContact CD1-CD2 4.19Å; F156-L189 HydrophobicContact CD1-CG 4.26Å; F156-L189 HydrophobicContact CE1-CB 3.99Å; F156-L189 HydrophobicContact CE1-CD1 4.15Å; F156-L189 HydrophobicContact CE1-CD2 3.81Å; F156-L189 HydrophobicContact CE1-CG 4.2Å; F156-L189 HydrophobicContact CE2-CB 4.31Å; F156-L189 HydrophobicContact CG-CB 4.5Å; F156-L189 HydrophobicContact CG-CD1 4.12Å; F156-L189 HydrophobicContact CZ-CB 3.98Å; F156-L189 HydrophobicContact CZ-CD2 4.48Å; F156-L192 HydrophobicContact CB-CD1 4.06Å
157Q85.4Confident87.5Confident83 Ų8350.9 Ų50.939%0.38827%0.267SS..EExtended strand (participates in β ladder)trans-135.1117.4177.6-176177.7-14.500111K155 K159 L164K155-Q157 HydrophobicContact CG-CB 4.25Å; Q157-K159 PolarHBondContact O-N 3.14Å; Q157-L164 VanDerWaalsContact O-CD2 3.31Å; Q157-L164 WeakPolarHBondContact O-CD2 3.36Å
158M82.9Confident87.7Confident3 Ų350.7 Ų50.72%0.01527%0.265CS..  trans-75.9120.2173.9-169.4-169.5170.200110.5L37 Y40 P42 F48 L162L37-M158 HydrophobicContact CD1-SD 4.44Å; Y40-M158 HydrophobicContact CD1-CE 3.34Å; Y40-M158 HydrophobicContact CD1-SD 3.58Å; Y40-M158 VanDerWaalsContact CD1-SD 3.58Å; Y40-M158 HydrophobicContact CE1-CE 3.7Å; Y40-M158 HydrophobicContact CE1-SD 3.31Å; Y40-M158 WeakPolarHBondContact CE1-SD 3.45Å; Y40-M158 HydrophobicContact CG-CE 4.17Å; Y40-M158 HydrophobicContact CG-SD 4.41Å; P42-M158 HydrophobicContact CB-CE 4.13Å; P42-M158 HydrophobicContact CG-CE 4.04Å; F48-M158 HydrophobicContact CD1-CB 3.99Å; F48-M158 HydrophobicContact CD1-SD 4.13Å; F48-M158 HydrophobicContact CD2-CB 4.49Å; F48-M158 HydrophobicContact CE1-CB 3.78Å; F48-M158 HydrophobicContact CE1-CG 4.17Å; F48-M158 HydrophobicContact CE1-SD 3.85Å; F48-M158 HydrophobicContact CE2-CB 4.32Å; F48-M158 HydrophobicContact CG-CB 4.35Å; F48-M158 HydrophobicContact CZ-CB 3.98Å; F48-M158 PolarHBondContact O-N 3.33Å; M158-L162 HydrophobicContact CE-CD2 4.02Å
159K82.5Confident87.9Confident141 Ų14146.3 Ų46.361%0.61325%0.245SC*.  trans-92.6-146.5175.8-64.7-178.3-178.5172.60110.1Q157 V161Q157-K159 PolarHBondContact O-N 3.14Å; K159-V161 HydrophobicContact CB-CG2 4.39Å; K159-V161 PolarHBondContact O-N 3.36Å
160K79.8Confident88Confident165 Ų16544 Ų4472%0.71723%0.234SC*.SBendtrans-82.26.8171.9-72-172.5176.3-174.40113.4
161V84Confident87.8Confident82 Ų8245 Ų4550%0.49724%0.24SC..SBendtrans-122.9154.7-175.7-64.70000110.2K159 C163K159-V161 HydrophobicContact CB-CG2 4.39Å; K159-V161 PolarHBondContact O-N 3.36Å; V161-C163 VanDerWaalsContact C-N 3.34Å
162L86.3Confident87.4Confident56 Ų5645 Ų4529%0.29325%0.254SS..SBendtrans-85.9-6.1179.4-62.2179.4000113.5L37 Y40 P42 M158L37-L162 HydrophobicContact CB-CB 4.32Å; L37-L162 HydrophobicContact CB-CD2 4.4Å; L37-L162 WeakPolarHBondContact CB-O 3.27Å; L37-L162 WeakPolarHBondContact CG-O 3.36Å; L37-L162 PolarHBondContact N-O 2.71Å; Y40-L162 VanDerWaalsContact O-CD2 3.27Å; Y40-L162 WeakPolarHBondContact O-CD2 3.24Å; P42-L162 HydrophobicContact CG-CD2 3.82Å; P42-L162 HydrophobicContact CG-CG 4.32Å; M158-L162 HydrophobicContact CE-CD2 4.02Å
163C86.5Confident87.4Confident79 Ų7945.4 Ų45.453%0.53426%0.255SS..EExtended strand (participates in β ladder)trans-96.6135.4177.9-52.50000110.5V35 V161V35-C163 CarbonylContact O-C 3Å; V35-C163 WeakPolarHBondContact O-CA 3.2Å; V161-C163 VanDerWaalsContact C-N 3.34Å
164L86.9Confident87.3Confident15 Ų1546 Ų468%0.07926%0.261CS..EExtended strand (participates in β ladder)trans-122.3141.8176.1-64.1152.5000108.1Q34 V35 L37 F48 Q157 L189Q34-L164 CarbonylContact C-O 3.53Å; Q34-L164 VanDerWaalsContact CA-O 3.27Å; Q34-L164 WeakPolarHBondContact CA-O 3.43Å; V35-L164 HydrophobicContact CB-CB 4.36Å; V35-L164 PolarHBondContact N-O 3.44Å; V35-L164 PolarHBondContact O-N 2.77Å; L37-L164 HydrophobicContact CD1-CD1 3.98Å; L37-L164 HydrophobicContact CD2-CD1 4.23Å; L37-L164 HydrophobicContact CG-CD1 4.09Å; F48-L164 HydrophobicContact CE2-CD1 4.32Å; F48-L164 HydrophobicContact CZ-CD1 3.84Å; Q157-L164 VanDerWaalsContact O-CD2 3.31Å; Q157-L164 WeakPolarHBondContact O-CD2 3.36Å; L164-L189 HydrophobicContact CD1-CD1 4.18Å
165G88.5Confident87.1Confident46 Ų4647.4 Ų47.447%0.47427%0.269SS..EExtended strand (participates in β ladder)trans-133.1130.2171.400000109L33L33-G165 WeakPolarHBondContact O-CA 3.5Å
166V89.9Confident87.1Confident11 Ų1149.9 Ų49.97%0.06728%0.282CS..EExtended strand (participates in β ladder)trans-135.3137.9174.6-64.40000110.6E32 L33 F156 I168E32-V166 CarbonylContact C-O 3.54Å; E32-V166 VanDerWaalsContact CA-O 3.25Å; E32-V166 WeakPolarHBondContact CA-O 3.38Å; L33-V166 HydrophobicContact CB-CG2 4.07Å; L33-V166 PolarHBondContact N-O 3.16Å; L33-V166 PolarHBondContact O-N 3.39Å; F156-V166 HydrophobicContact CD1-CG1 3.75Å; F156-V166 HydrophobicContact CD1-CG2 4.34Å; F156-V166 HydrophobicContact CE1-CB 4.26Å; F156-V166 HydrophobicContact CE1-CG1 3.73Å; F156-V166 HydrophobicContact CE1-CG2 3.46Å; F156-V166 VanDerWaalsContact CE1-CG2 3.46Å; F156-V166 HydrophobicContact CE2-CG2 4.36Å; F156-V166 HydrophobicContact CG-CG1 4.28Å; F156-V166 HydrophobicContact CZ-CB 4.45Å; F156-V166 HydrophobicContact CZ-CG1 4.24Å; F156-V166 HydrophobicContact CZ-CG2 3.5Å; F156-V166 VanDerWaalsContact CZ-CG2 3.5Å; V166-I168 HydrophobicContact CG2-CG2 4.14Å; V166-I168 PolarHBondContact O-N 2.8Å
167A90.6Very high87.1Confident10 Ų1052.7 Ų52.78%0.08330%0.296CS..EExtended strand (participates in β ladder)trans-72.6118.6173.800000110.3T30 E32 P58 R59 V154T30-A167 HydrophobicContact CG2-CB 3.56Å; E32-A167 HydrophobicContact CG-CB 4.41Å; P58-A167 HydrophobicContact CB-CB 4.25Å; P58-A167 WeakPolarHBondContact CB-O 3.18Å; R59-A167 HydrophobicContact CG-CB 4.19Å; R59-A167 VanDerWaalsContact NE-CB 3.28Å; V154-A167 VanDerWaalsContact CG1-O 3.26Å; V154-A167 WeakPolarHBondContact CG1-O 3.34Å
168I92.2Very high87.4Confident0 Ų048.9 Ų48.90%028%0.278CS..EExtended strand (participates in β ladder)trans-107.1-15.8-177.852150.4000112.8V31 L33 V166 N181 I182 A185 L205V31-I168 HydrophobicContact CB-CG1 4.33Å; V31-I168 HydrophobicContact CG1-CD1 3.8Å; V31-I168 HydrophobicContact CG1-CG1 4.05Å; V31-I168 WeakPolarHBondContact O-CG1 3.44Å; V31-I168 PolarHBondContact O-N 3.11Å; L33-I168 HydrophobicContact CB-CD1 4.39Å; L33-I168 HydrophobicContact CB-CG1 4.32Å; L33-I168 HydrophobicContact CB-CG2 3.59Å; L33-I168 HydrophobicContact CD2-CG2 4.36Å; V166-I168 HydrophobicContact CG2-CG2 4.14Å; V166-I168 PolarHBondContact O-N 2.8Å; I168-N181 VanDerWaalsContact O-CB 3.3Å; I168-N181 WeakPolarHBondContact O-CB 3.47Å; I168-N181 PolarHBondContact O-ND2 2.95Å; I168-I182 HydrophobicContact CD1-CD1 3.63Å; I168-I182 HydrophobicContact CD1-CG1 3.22Å; I168-I182 HydrophobicContact CG1-CG1 4.44Å; I168-A185 HydrophobicContact CG2-CB 4.14Å; I168-L205 HydrophobicContact CD1-CD2 3.51Å
169G91.5Very high87.7Confident0 Ų050.1 Ų50.10%028%0.284CS..EExtended strand (participates in β ladder)trans-179.4-167.3-175.900000112.5T30 V31 P58T30-G169 WeakPolarHBondContact CG2-O 3.3Å; V31-G169 PolarHBondContact N-O 3.38Å; V31-G169 PolarHBondContact O-N 2.84Å; P58-G169 CarbonylContact O-C 3.41Å
170H90Very high88.1Confident15 Ų1545 Ų457%0.06927%0.266CS..EExtended strand (participates in β ladder)trans-141.4160.7174.859.556.9000110R28 E29 P60 G172 M173R28-H170 PolarHBondContact NE-ND1 3.33Å; R28-H170 PolarHBondContact NH1-CE1 2.9Å; R28-H170 VanDerWaalsContact NH1-CE1 3.32Å; R28-H170 PolarHBondContact NH1-NE2 2.81Å; R28-H170 PolarHBondContact NH2-CE1 3.3Å; R28-H170 PolarHBondContact NH2-ND1 3.36Å; E29-H170 WeakPolarHBondContact O-CA 3.35Å; E29-H170 WeakPolarHBondContact O-CB 3.05Å; P60-H170 VanDerWaalsContact CD-CD2 3.41Å; P60-H170 WeakPolarHBondContact CD-CD2 3.35Å; P60-H170 VanDerWaalsContact CG-CD2 3.47Å; P60-H170 WeakPolarHBondContact CG-CD2 3.3Å; H170-G172 VanDerWaalsContact ND1-C 3.32Å; H170-G172 PolarHBondContact ND1-N 3.16Å; H170-G172 PolarHBondContact O-N 3.04Å; H170-M173 WeakPolarHBondContact CE1-CG 3.42Å; H170-M173 PolarHBondContact CE1-N 3.3Å; H170-M173 PolarHBondContact ND1-N 3.27Å; H170-M173 VanDerWaalsContact ND1-N 3.19Å; H170-M173 WeakPolarHBondContact O-CB 3.33Å; H170-M173 PolarHBondContact O-N 2.83Å
171V85.6Confident88.8Confident36 Ų3637.2 Ų37.222%0.21823%0.232CC..THydrogen-bonded Turntrans-58.1-27.4-174.2177.60000113.5L17 A20 E29 V31 M173 V207L17-V171 HydrophobicContact CD2-CB 4.36Å; L17-V171 HydrophobicContact CD2-CG1 3.96Å; L17-V171 WeakPolarHBondContact CD2-O 3.41Å; A20-V171 HydrophobicContact CB-CB 4.47Å; A20-V171 HydrophobicContact CB-CG1 3.76Å; A20-V171 HydrophobicContact CB-CG2 3.81Å; E29-V171 HydrophobicContact CB-CG2 3.83Å; E29-V171 PolarHBondContact O-N 3.07Å; E29-V171 VanDerWaalsContact O-N 3.12Å; V31-V171 HydrophobicContact CG2-CG2 4.42Å; V171-M173 VanDerWaalsContact C-N 3.3Å; V171-M173 PolarHBondContact O-N 3.01Å; V171-V207 HydrophobicContact CG2-CG1 4.07Å
172G82.7Confident89.2Confident47 Ų4733.4 Ų33.449%0.48521%0.209SC..THydrogen-bonded Turntrans-86.217.8176.100000115.9R28 H170R28-G172 PolarHBondContact NH2-O 2.83Å; R28-G172 VanDerWaalsContact NH2-O 3.08Å; H170-G172 VanDerWaalsContact ND1-C 3.32Å; H170-G172 PolarHBondContact ND1-N 3.16Å; H170-G172 PolarHBondContact O-N 3.04Å
173M87.8Confident89.4Confident13 Ų1332.7 Ų32.76%0.06421%0.211CC..SBendtrans-89.5149169-76-172-177.500108.9V57 H170 V171 E177 L178V57-M173 WeakPolarHBondContact O-CE 3.27Å; H170-M173 WeakPolarHBondContact CE1-CG 3.42Å; H170-M173 PolarHBondContact CE1-N 3.3Å; H170-M173 PolarHBondContact ND1-N 3.27Å; H170-M173 VanDerWaalsContact ND1-N 3.19Å; H170-M173 WeakPolarHBondContact O-CB 3.33Å; H170-M173 PolarHBondContact O-N 2.83Å; V171-M173 VanDerWaalsContact C-N 3.3Å; V171-M173 PolarHBondContact O-N 3.01Å; M173-E177 HydrophobicContact CB-CB 4.2Å; M173-E177 HydrophobicContact SD-CB 4.4Å; M173-L178 HydrophobicContact CB-CD1 4.31Å; M173-L178 HydrophobicContact CB-CD2 4.12Å; M173-L178 HydrophobicContact CB-CG 3.77Å; M173-L178 HydrophobicContact SD-CD2 3.92Å; M173-L178 HydrophobicContact SD-CG 4.39Å
174S88.8Confident89.6Confident56 Ų5632.4 Ų32.439%0.39220%0.204SC..  trans-66.1157.2169.164.70000111.3E176 E177 L178S174-E176 PolarHBondContact O-N 3.32Å; S174-E177 PolarHBondContact N-OE2 3.3Å; S174-E177 PolarHBondContact O-N 3.12Å; S174-E177 WeakPolarHBondContact OG-CB 3.42Å; S174-E177 VanDerWaalsContact OG-CD 3.28Å; S174-E177 WeakPolarHBondContact OG-CG 3.31Å; S174-E177 PolarHBondContact OG-N 3.22Å; S174-E177 PolarHBondContact OG-OE2 3.36Å; S174-L178 PolarHBondContact O-N 3.19Å; S174-L178 VanDerWaalsContact O-N 3.08Å
175T88Confident89.9Confident40 Ų4031.7 Ų31.725%0.24520%0.2CC..Hα-helixtrans-55-39.8175.2-52.10000111.1I13 L178 M179I13-T175 HydrophobicContact CB-CG2 4.3Å; I13-T175 HydrophobicContact CD1-CG2 4.19Å; I13-T175 HydrophobicContact CG2-CG2 3.92Å; T175-L178 PolarHBondContact O-N 2.99Å; T175-M179 HydrophobicContact CG2-CG 4.38Å; T175-M179 HydrophobicContact CG2-SD 4.28Å; T175-M179 WeakPolarHBondContact O-CB 3.36Å; T175-M179 WeakPolarHBondContact O-CG 3.44Å; T175-M179 PolarHBondContact O-N 2.98Å
176E88.8Confident90.1Very high148 Ų14829.9 Ų29.969%0.69218%0.18SC*.Hα-helixtrans-65.8-40.4179.5-62.8-177172.300113.3S174 M179 S180S174-E176 PolarHBondContact O-N 3.32Å; E176-M179 PolarHBondContact O-N 3.13Å; E176-S180 PolarHBondContact O-N 3.49Å
177E91.3Very high90.1Very high61 Ų6133.4 Ų33.429%0.28520%0.198SC..Hα-helixtrans-65.1-45.2176.3-71.4168.7140.600111.3Y56 M173 S174 S180 N181Y56-E177 HydrophobicContact CD1-CB 4.48Å; Y56-E177 HydrophobicContact CD1-CG 3.96Å; Y56-E177 HydrophobicContact CD2-CB 3.84Å; Y56-E177 HydrophobicContact CD2-CG 4.03Å; Y56-E177 HydrophobicContact CE1-CG 3.75Å; Y56-E177 HydrophobicContact CE2-CB 3.99Å; Y56-E177 HydrophobicContact CE2-CG 3.84Å; Y56-E177 HydrophobicContact CG-CB 4.11Å; Y56-E177 HydrophobicContact CG-CG 4.1Å; M173-E177 HydrophobicContact CB-CB 4.2Å; M173-E177 HydrophobicContact SD-CB 4.4Å; S174-E177 PolarHBondContact N-OE2 3.3Å; S174-E177 PolarHBondContact O-N 3.12Å; S174-E177 WeakPolarHBondContact OG-CB 3.42Å; S174-E177 VanDerWaalsContact OG-CD 3.28Å; S174-E177 WeakPolarHBondContact OG-CG 3.31Å; S174-E177 PolarHBondContact OG-N 3.22Å; S174-E177 PolarHBondContact OG-OE2 3.36Å; E177-S180 PolarHBondContact O-N 2.64Å; E177-N181 PolarHBondContact O-N 3.37Å; E177-N181 VanDerWaalsContact O-N 3.08Å
178L91.3Very high90.2Very high2 Ų235.4 Ų35.41%0.0121%0.205CC..Hα-helixtrans-61.6-45.6175.5-75172.2000111.1I13 L17 V31 M173 S174 T175 S180 N181 I182I13-L178 HydrophobicContact CD1-CB 3.9Å; I13-L178 HydrophobicContact CG1-CB 4.31Å; I13-L178 HydrophobicContact CG2-CB 4.33Å; I13-L178 HydrophobicContact CG2-CD1 3.67Å; L17-L178 HydrophobicContact CD1-CD1 4.33Å; L17-L178 HydrophobicContact CD2-CD1 4.25Å; V31-L178 HydrophobicContact CB-CD2 4.47Å; V31-L178 HydrophobicContact CG2-CD2 4.47Å; M173-L178 HydrophobicContact CB-CD1 4.31Å; M173-L178 HydrophobicContact CB-CD2 4.12Å; M173-L178 HydrophobicContact CB-CG 3.77Å; M173-L178 HydrophobicContact SD-CD2 3.92Å; M173-L178 HydrophobicContact SD-CG 4.39Å; S174-L178 PolarHBondContact O-N 3.19Å; S174-L178 VanDerWaalsContact O-N 3.08Å; T175-L178 PolarHBondContact O-N 2.99Å; L178-S180 VanDerWaalsContact C-N 3.31Å; L178-S180 PolarHBondContact O-N 2.99Å; L178-N181 PolarHBondContact O-N 2.81Å; L178-I182 HydrophobicContact CB-CD1 4.39Å; L178-I182 WeakPolarHBondContact O-CB 3.47Å; L178-I182 WeakPolarHBondContact O-CD1 3.42Å; L178-I182 WeakPolarHBondContact O-CG1 3.36Å; L178-I182 PolarHBondContact O-N 2.94Å
179M89.7Confident90.3Very high29 Ų2935.4 Ų35.414%0.14321%0.205CC..Hα-helixtrans-56.8-45.3176.6-75.6-178.477.800111.9R6 L9 I10 I13 T175 E176 I182 A183R6-M179 HydrophobicContact CG-CE 3.45Å; R6-M179 VanDerWaalsContact CG-CE 3.45Å; L9-M179 HydrophobicContact CD2-CB 4.05Å; L9-M179 HydrophobicContact CD2-CE 4.42Å; L9-M179 HydrophobicContact CD2-CG 3.61Å; I10-M179 HydrophobicContact CD1-CE 4.03Å; I10-M179 HydrophobicContact CD1-SD 4.08Å; I10-M179 HydrophobicContact CG1-CE 3.7Å; I10-M179 HydrophobicContact CG1-SD 3.49Å; I10-M179 WeakPolarHBondContact CG1-SD 3.2Å; I13-M179 HydrophobicContact CD1-CB 4.31Å; I13-M179 HydrophobicContact CD1-CG 3.4Å; I13-M179 VanDerWaalsContact CD1-CG 3.4Å; T175-M179 HydrophobicContact CG2-CG 4.38Å; T175-M179 HydrophobicContact CG2-SD 4.28Å; T175-M179 WeakPolarHBondContact O-CB 3.36Å; T175-M179 WeakPolarHBondContact O-CG 3.44Å; T175-M179 PolarHBondContact O-N 2.98Å; E176-M179 PolarHBondContact O-N 3.13Å; M179-I182 PolarHBondContact O-N 2.87Å; M179-A183 VanDerWaalsContact O-CB 3.29Å; M179-A183 WeakPolarHBondContact O-CB 3.46Å; M179-A183 PolarHBondContact O-N 3.28Å
180S90.2Very high90.3Very high35 Ų3536 Ų3625%0.24521%0.209CC..Hα-helixtrans-61.1-45.8178.4-1750000111.6E176 E177 L178 L184E176-S180 PolarHBondContact O-N 3.49Å; E177-S180 PolarHBondContact O-N 2.64Å; L178-S180 VanDerWaalsContact C-N 3.31Å; L178-S180 PolarHBondContact O-N 2.99Å; S180-L184 WeakPolarHBondContact O-CG 3.42Å; S180-L184 PolarHBondContact O-N 3.18Å
181N94Very high90.3Very high0 Ų039 Ų390%023%0.232CC..Hα-helixtrans-67.1-42.3179.2-83.73.8000112.2L54 K55 Y56 I168 E177 L178 L184 A185L54-N181 HydrophobicContact CD1-CB 4.27Å; K55-N181 PolarHBondContact N-OD1 3.04Å; Y56-N181 PolarHBondContact N-OD1 3.35Å; Y56-N181 VanDerWaalsContact N-OD1 3.12Å; Y56-N181 PolarHBondContact O-ND2 3.29Å; I168-N181 VanDerWaalsContact O-CB 3.3Å; I168-N181 WeakPolarHBondContact O-CB 3.47Å; I168-N181 PolarHBondContact O-ND2 2.95Å; E177-N181 PolarHBondContact O-N 3.37Å; E177-N181 VanDerWaalsContact O-N 3.08Å; L178-N181 PolarHBondContact O-N 2.81Å; N181-L184 PolarHBondContact O-N 3.35Å; N181-A185 VanDerWaalsContact O-CB 3.26Å; N181-A185 WeakPolarHBondContact O-CB 3.38Å; N181-A185 PolarHBondContact O-N 3.31Å
182I92.1Very high90.6Very high3 Ų339.5 Ų39.52%0.01523%0.232CC..Hα-helixtrans-62.3-47177.8-67.9161.8000110.5L9 I13 I168 L178 M179 L184 A185 I186 L205L9-I182 HydrophobicContact CD1-CB 4.49Å; L9-I182 HydrophobicContact CD1-CG2 3.69Å; L9-I182 HydrophobicContact CD2-CB 4.2Å; L9-I182 HydrophobicContact CD2-CD1 4.02Å; L9-I182 HydrophobicContact CD2-CG2 4.13Å; L9-I182 HydrophobicContact CG-CG2 4.12Å; I13-I182 HydrophobicContact CD1-CD1 3.76Å; I13-I182 HydrophobicContact CG1-CD1 3.74Å; I168-I182 HydrophobicContact CD1-CD1 3.63Å; I168-I182 HydrophobicContact CD1-CG1 3.22Å; I168-I182 HydrophobicContact CG1-CG1 4.44Å; L178-I182 HydrophobicContact CB-CD1 4.39Å; L178-I182 WeakPolarHBondContact O-CB 3.47Å; L178-I182 WeakPolarHBondContact O-CD1 3.42Å; L178-I182 WeakPolarHBondContact O-CG1 3.36Å; L178-I182 PolarHBondContact O-N 2.94Å; M179-I182 PolarHBondContact O-N 2.87Å; I182-L184 VanDerWaalsContact C-N 3.34Å; I182-L184 PolarHBondContact O-N 3.08Å; I182-A185 PolarHBondContact O-N 3.25Å; I182-I186 HydrophobicContact CG2-CD1 3.43Å; I182-I186 VanDerWaalsContact CG2-CD1 3.43Å; I182-I186 HydrophobicContact CG2-CG1 4.05Å; I182-I186 WeakPolarHBondContact O-CB 3.41Å; I182-I186 VanDerWaalsContact O-CG1 3.29Å; I182-I186 WeakPolarHBondContact O-CG1 3.07Å; I182-I186 PolarHBondContact O-N 3.38Å; I182-L205 HydrophobicContact CD1-CD1 3.79Å; I182-L205 HydrophobicContact CD1-CD2 4.17Å; I182-L205 HydrophobicContact CG1-CD2 4.44Å
183A90.1Very high90.9Very high41 Ų4137.5 Ų37.534%0.33921%0.211SC..Hα-helixtrans-60.4-44.6-179.400000111.6M179 N187M179-A183 VanDerWaalsContact O-CB 3.29Å; M179-A183 WeakPolarHBondContact O-CB 3.46Å; M179-A183 PolarHBondContact O-N 3.28Å; A183-N187 VanDerWaalsContact O-CB 3.31Å; A183-N187 WeakPolarHBondContact O-CB 2.98Å; A183-N187 PolarHBondContact O-N 2.81Å; A183-N187 PolarHBondContact O-ND2 3.48Å; A183-N187 VanDerWaalsContact O-ND2 3.07Å
184L92.1Very high90.9Very high72 Ų7242.6 Ų42.638%0.37723%0.233SC..Hα-helixtrans-62.6-46.8175.4-71.8172000111.8L54 K55 S180 N181 I182 F188L54-L184 HydrophobicContact CD2-CB 4.35Å; K55-L184 HydrophobicContact CB-CD1 4.22Å; S180-L184 WeakPolarHBondContact O-CG 3.42Å; S180-L184 PolarHBondContact O-N 3.18Å; N181-L184 PolarHBondContact O-N 3.35Å; I182-L184 VanDerWaalsContact C-N 3.34Å; I182-L184 PolarHBondContact O-N 3.08Å; L184-F188 WeakPolarHBondContact O-CB 3.5Å; L184-F188 PolarHBondContact O-N 3.12Å
185A92.8Very high91Very high0 Ų045.6 Ų45.60%024%0.238CC..Hα-helixtrans-63-45.1-178.800000112.3L33 L54 F156 I168 N181 I182 L189L33-A185 HydrophobicContact CD2-CB 4.35Å; L54-A185 HydrophobicContact CD2-CB 4.25Å; F156-A185 HydrophobicContact CE2-CB 4.22Å; F156-A185 HydrophobicContact CZ-CB 4.03Å; I168-A185 HydrophobicContact CG2-CB 4.14Å; N181-A185 VanDerWaalsContact O-CB 3.26Å; N181-A185 WeakPolarHBondContact O-CB 3.38Å; N181-A185 PolarHBondContact O-N 3.31Å; I182-A185 PolarHBondContact O-N 3.25Å; A185-L189 WeakPolarHBondContact O-CB 3.16Å; A185-L189 PolarHBondContact O-N 3.1Å
186I91.8Very high91.1Very high9 Ų947.7 Ų47.75%0.04625%0.248CC..Hα-helixtrans-67.3-47.3179.7-69.6179.8000111I4 L33 I182 F188 L189 V190 W197 M203I4-I186 HydrophobicContact CD1-CD1 3.57Å; I4-I186 HydrophobicContact CD1-CG2 4.22Å; L33-I186 HydrophobicContact CD2-CG1 3.8Å; I182-I186 HydrophobicContact CG2-CD1 3.43Å; I182-I186 VanDerWaalsContact CG2-CD1 3.43Å; I182-I186 HydrophobicContact CG2-CG1 4.05Å; I182-I186 WeakPolarHBondContact O-CB 3.41Å; I182-I186 VanDerWaalsContact O-CG1 3.29Å; I182-I186 WeakPolarHBondContact O-CG1 3.07Å; I182-I186 PolarHBondContact O-N 3.38Å; I186-F188 VanDerWaalsContact C-N 3.28Å; I186-F188 PolarHBondContact O-N 3.26Å; I186-L189 PolarHBondContact O-N 3.36Å; I186-V190 HydrophobicContact CG2-CG2 4.23Å; I186-V190 WeakPolarHBondContact O-CB 3.47Å; I186-V190 VanDerWaalsContact O-CG2 3.22Å; I186-V190 WeakPolarHBondContact O-CG2 3.47Å; I186-V190 PolarHBondContact O-N 3.01Å; I186-W197 HydrophobicContact CG2-CH2 3.51Å; I186-W197 HydrophobicContact CG2-CZ2 4.08Å; I186-W197 HydrophobicContact CG2-CZ3 4.29Å; I186-M203 HydrophobicContact CD1-SD 3.84Å; I186-M203 HydrophobicContact CG1-SD 3.91Å; I186-M203 HydrophobicContact CG2-CE 4.21Å; I186-M203 HydrophobicContact CG2-SD 4.41Å
187N90.8Very high91.1Very high85 Ų8543.2 Ų43.246%0.45523%0.225SC..Hα-helixtrans-60.8-41.1-179.9-74.7-29.3000111.4A183 S191A183-N187 VanDerWaalsContact O-CB 3.31Å; A183-N187 WeakPolarHBondContact O-CB 2.98Å; A183-N187 PolarHBondContact O-N 2.81Å; A183-N187 PolarHBondContact O-ND2 3.48Å; A183-N187 VanDerWaalsContact O-ND2 3.07Å; N187-S191 PolarHBondContact O-N 2.95Å
188F93.7Very high91Very high52 Ų5246.4 Ų46.423%0.22824%0.24CC..Hα-helixtrans-66.8-47.1175.4-179.1-104000112.3N51 V52 F156 L184 I186 V190 S191 L192N51-F188 WeakPolarHBondContact O-CZ 3.28Å; V52-F188 HydrophobicContact CB-CB 4.04Å; V52-F188 HydrophobicContact CB-CD1 3.52Å; V52-F188 HydrophobicContact CB-CD2 4.05Å; V52-F188 HydrophobicContact CB-CE1 3.85Å; V52-F188 HydrophobicContact CB-CE2 4.38Å; V52-F188 HydrophobicContact CB-CG 3.6Å; V52-F188 HydrophobicContact CB-CZ 4.28Å; V52-F188 HydrophobicContact CG1-CB 4.22Å; V52-F188 HydrophobicContact CG1-CD1 3.59Å; V52-F188 HydrophobicContact CG1-CE1 4.12Å; V52-F188 HydrophobicContact CG1-CG 4.02Å; V52-F188 HydrophobicContact CG2-CB 3.99Å; V52-F188 HydrophobicContact CG2-CD1 4.38Å; V52-F188 HydrophobicContact CG2-CD2 4.33Å; V52-F188 HydrophobicContact CG2-CG 3.99Å; F156-F188 AromaticContact CD2-CD1 3.76Å; F156-F188 HydrophobicContact CD2-CD1 3.76Å; F156-F188 HydrophobicContact CD2-CE1 4.11Å; F156-F188 HydrophobicContact CE2-CD1 4.19Å; L184-F188 WeakPolarHBondContact O-CB 3.5Å; L184-F188 PolarHBondContact O-N 3.12Å; I186-F188 VanDerWaalsContact C-N 3.28Å; I186-F188 PolarHBondContact O-N 3.26Å; F188-V190 VanDerWaalsContact C-N 3.31Å; F188-V190 PolarHBondContact O-N 2.91Å; F188-S191 PolarHBondContact O-N 3.07Å; F188-S191 VanDerWaalsContact O-N 3.12Å; F188-S191 PolarHBondContact O-OG 3.12Å; F188-L192 HydrophobicContact CD1-CD1 4.08Å; F188-L192 HydrophobicContact CE1-CD1 3.6Å; F188-L192 HydrophobicContact CE1-CG 4.29Å; F188-L192 HydrophobicContact CZ-CD1 4.06Å; F188-L192 HydrophobicContact CZ-CD2 4.32Å; F188-L192 HydrophobicContact CZ-CG 4.41Å; F188-L192 PolarHBondContact O-N 2.69Å
189L92.6Very high90.9Very high0 Ų046.4 Ų46.40%024%0.24CC..Hα-helixtrans-57.8-45.8177.6174.960.2000111.3V35 F48 F156 L164 A185 I186 S191 L192 L193 M203V35-L189 HydrophobicContact CB-CD2 4.03Å; V35-L189 HydrophobicContact CG1-CD2 3.87Å; V35-L189 HydrophobicContact CG2-CD2 3.64Å; F48-L189 HydrophobicContact CE2-CD1 3.77Å; F48-L189 HydrophobicContact CZ-CD1 4.03Å; F156-L189 HydrophobicContact CB-CD1 4.39Å; F156-L189 HydrophobicContact CD1-CB 4.25Å; F156-L189 HydrophobicContact CD1-CD1 3.71Å; F156-L189 HydrophobicContact CD1-CD2 4.19Å; F156-L189 HydrophobicContact CD1-CG 4.26Å; F156-L189 HydrophobicContact CE1-CB 3.99Å; F156-L189 HydrophobicContact CE1-CD1 4.15Å; F156-L189 HydrophobicContact CE1-CD2 3.81Å; F156-L189 HydrophobicContact CE1-CG 4.2Å; F156-L189 HydrophobicContact CE2-CB 4.31Å; F156-L189 HydrophobicContact CG-CB 4.5Å; F156-L189 HydrophobicContact CG-CD1 4.12Å; F156-L189 HydrophobicContact CZ-CB 3.98Å; F156-L189 HydrophobicContact CZ-CD2 4.48Å; L164-L189 HydrophobicContact CD1-CD1 4.18Å; A185-L189 WeakPolarHBondContact O-CB 3.16Å; A185-L189 PolarHBondContact O-N 3.1Å; I186-L189 PolarHBondContact O-N 3.36Å; L189-S191 VanDerWaalsContact C-N 3.26Å; L189-S191 PolarHBondContact O-N 3.07Å; L189-L192 WeakPolarHBondContact O-CB 3.2Å; L189-L192 PolarHBondContact O-N 3.24Å; L189-L193 WeakPolarHBondContact O-CG 3.22Å; L189-L193 PolarHBondContact O-N 3.03Å; L189-M203 HydrophobicContact CD2-CE 4.45Å
190V91.1Very high91Very high12 Ų1245.8 Ų45.87%0.07324%0.237CC..Hα-helixtrans-59.1-38.9179172.20000111.1I186 F188 L192 L193 N196 W197 I200I186-V190 HydrophobicContact CG2-CG2 4.23Å; I186-V190 WeakPolarHBondContact O-CB 3.47Å; I186-V190 VanDerWaalsContact O-CG2 3.22Å; I186-V190 WeakPolarHBondContact O-CG2 3.47Å; I186-V190 PolarHBondContact O-N 3.01Å; F188-V190 VanDerWaalsContact C-N 3.31Å; F188-V190 PolarHBondContact O-N 2.91Å; V190-L192 PolarHBondContact O-N 2.96Å; V190-L193 PolarHBondContact O-N 3.02Å; V190-N196 HydrophobicContact CG1-CB 3.74Å; V190-N196 PolarHBondContact O-OD1 3.4Å; V190-W197 HydrophobicContact CG1-CD2 4.44Å; V190-W197 HydrophobicContact CG1-CG 4.26Å; V190-W197 HydrophobicContact CG2-CD2 4Å; V190-W197 HydrophobicContact CG2-CE3 4.28Å; V190-W197 HydrophobicContact CG2-CH2 4.19Å; V190-W197 HydrophobicContact CG2-CZ2 3.89Å; V190-W197 HydrophobicContact CG2-CZ3 4.38Å; V190-I200 HydrophobicContact CG2-CD1 3.71Å
191S91.4Very high90.8Very high79 Ų7952.4 Ų52.455%0.55226%0.257SS*.Hα-helixtrans-66.8-19.9176.372.60000114.6N187 F188 L189N187-S191 PolarHBondContact O-N 2.95Å; F188-S191 PolarHBondContact O-N 3.07Å; F188-S191 VanDerWaalsContact O-N 3.12Å; F188-S191 PolarHBondContact O-OG 3.12Å; L189-S191 VanDerWaalsContact C-N 3.26Å; L189-S191 PolarHBondContact O-N 3.07Å
192L90.9Very high90.5Very high45 Ų4558.1 Ų58.124%0.23628%0.279CS..Hα-helixtrans-83.9-14.6176.1-63.6176.6000112.9F48 F156 F188 L189 V190F48-L192 HydrophobicContact CB-CB 4.31Å; F48-L192 HydrophobicContact CD2-CB 3.84Å; F48-L192 HydrophobicContact CD2-CD1 3.91Å; F48-L192 HydrophobicContact CE2-CB 4.38Å; F48-L192 HydrophobicContact CE2-CD1 4.42Å; F48-L192 HydrophobicContact CG-CB 4.15Å; F156-L192 HydrophobicContact CB-CD1 4.06Å; F188-L192 HydrophobicContact CD1-CD1 4.08Å; F188-L192 HydrophobicContact CE1-CD1 3.6Å; F188-L192 HydrophobicContact CE1-CG 4.29Å; F188-L192 HydrophobicContact CZ-CD1 4.06Å; F188-L192 HydrophobicContact CZ-CD2 4.32Å; F188-L192 HydrophobicContact CZ-CG 4.41Å; F188-L192 PolarHBondContact O-N 2.69Å; L189-L192 WeakPolarHBondContact O-CB 3.2Å; L189-L192 PolarHBondContact O-N 3.24Å; V190-L192 PolarHBondContact O-N 2.96Å
193L90.3Very high90.2Very high5 Ų560 Ų603%0.02629%0.289CS..SBendtrans-90.5129.9-174.6-62.3175.1000111.5L37 Y40 F48 L189 V190 K195 N196 N199 I200L37-L193 HydrophobicContact CD1-CD2 4.28Å; L37-L193 HydrophobicContact CD2-CD1 4.1Å; L37-L193 HydrophobicContact CD2-CD2 3.8Å; Y40-L193 HydrophobicContact CE2-CD2 4.3Å; F48-L193 HydrophobicContact CD1-CD2 4.28Å; F48-L193 HydrophobicContact CE1-CD2 3.48Å; F48-L193 VanDerWaalsContact CE1-CD2 3.48Å; F48-L193 HydrophobicContact CZ-CD2 3.63Å; L189-L193 WeakPolarHBondContact O-CG 3.22Å; L189-L193 PolarHBondContact O-N 3.03Å; V190-L193 PolarHBondContact O-N 3.02Å; L193-K195 PolarHBondContact O-N 3.04Å; L193-K195 VanDerWaalsContact O-N 3.08Å; L193-N196 WeakPolarHBondContact CD1-O 3.35Å; L193-N196 PolarHBondContact O-N 3.44Å; L193-N196 PolarHBondContact O-OD1 2.79Å; L193-N199 HydrophobicContact CB-CB 4.22Å; L193-N199 HydrophobicContact CD1-CB 4.13Å; L193-N199 HydrophobicContact CD2-CB 4.42Å; L193-N199 HydrophobicContact CG-CB 4.5Å; L193-I200 HydrophobicContact CD1-CD1 3.58Å; L193-I200 HydrophobicContact CD1-CG1 3.59Å
194K87.1Confident90.1Very high121 Ų12160.7 Ų60.753%0.52629%0.289SS..THydrogen-bonded Turntrans-49.7-38.9179.8-65.2-176.7176.8-173.30114.8Y40 D45Y40-K194 HydrophobicContact CE2-CG 4.48Å; D45-K194 IonicContact OD1-NZ 3.52Å; D45-K194 PolarHBondContact OD1-NZ 3Å
195K90.2Very high89.9Confident118 Ų11858.3 Ų58.351%0.51328%0.276SS..THydrogen-bonded Turntrans-114.125.6178.2-53.7-176.1176-178.40112.5L193 W197 Q198 N199L193-K195 PolarHBondContact O-N 3.04Å; L193-K195 VanDerWaalsContact O-N 3.08Å; K195-W197 PolarHBondContact O-N 3.41Å; K195-Q198 HydrophobicContact CB-CB 3.92Å; K195-Q198 WeakPolarHBondContact O-CB 3.46Å; K195-Q198 PolarHBondContact O-N 2.92Å; K195-N199 WeakPolarHBondContact CB-OD1 3.45Å; K195-N199 PolarHBondContact N-ND2 3.05Å
196N90Very high89.4Confident85 Ų8561.5 Ų61.546%0.45529%0.293SS..G310 helixtrans48.7-125179.9-60.6-39.2000111.2V190 L193 Q198 N199V190-N196 HydrophobicContact CG1-CB 3.74Å; V190-N196 PolarHBondContact O-OD1 3.4Å; L193-N196 WeakPolarHBondContact CD1-O 3.35Å; L193-N196 PolarHBondContact O-N 3.44Å; L193-N196 PolarHBondContact O-OD1 2.79Å; N196-Q198 VanDerWaalsContact C-N 3.25Å; N196-Q198 PolarHBondContact O-N 3.16Å; N196-N199 PolarHBondContact O-N 3.22Å
197W89.3Confident88.8Confident54 Ų5462.9 Ų62.921%0.20530%0.302CS..G310 helixtrans-59-25.5179.3-69.599.8000115.3K3 I4 I186 V190 K195 N199 I200 M203K3-W197 HydrophobicContact CB-CD2 4.04Å; K3-W197 HydrophobicContact CB-CE3 4.12Å; K3-W197 HydrophobicContact CB-CH2 4.36Å; K3-W197 HydrophobicContact CB-CZ2 4.29Å; K3-W197 HydrophobicContact CB-CZ3 4.27Å; K3-W197 HydrophobicContact CD-CB 4.3Å; K3-W197 HydrophobicContact CD-CD2 4.42Å; K3-W197 HydrophobicContact CD-CG 4.24Å; K3-W197 HydrophobicContact CG-CD2 4.2Å; K3-W197 HydrophobicContact CG-CG 4.25Å; I4-W197 HydrophobicContact CD1-CH2 3.74Å; I4-W197 HydrophobicContact CD1-CZ3 3.95Å; I4-W197 HydrophobicContact CG1-CH2 3.78Å; I4-W197 HydrophobicContact CG1-CZ3 3.97Å; I186-W197 HydrophobicContact CG2-CH2 3.51Å; I186-W197 HydrophobicContact CG2-CZ2 4.08Å; I186-W197 HydrophobicContact CG2-CZ3 4.29Å; V190-W197 HydrophobicContact CG1-CD2 4.44Å; V190-W197 HydrophobicContact CG1-CG 4.26Å; V190-W197 HydrophobicContact CG2-CD2 4Å; V190-W197 HydrophobicContact CG2-CE3 4.28Å; V190-W197 HydrophobicContact CG2-CH2 4.19Å; V190-W197 HydrophobicContact CG2-CZ2 3.89Å; V190-W197 HydrophobicContact CG2-CZ3 4.38Å; K195-W197 PolarHBondContact O-N 3.41Å; W197-N199 PolarHBondContact O-N 2.85Å; W197-I200 HydrophobicContact CE3-CD1 4.09Å; W197-I200 PolarHBondContact O-N 3.24Å; W197-M203 HydrophobicContact CZ3-CE 4.25Å
198Q88.5Confident87.9Confident127 Ų12760.9 Ų60.959%0.59329%0.293SS*.G310 helixtrans-68.8-20.8-178.5-63.7-173.5-5.100112.8K38 K195 N196 I200K38-Q198 WeakPolarHBondContact CE-O 3.39Å; K38-Q198 WeakPolarHBondContact CG-O 3.24Å; K195-Q198 HydrophobicContact CB-CB 3.92Å; K195-Q198 WeakPolarHBondContact O-CB 3.46Å; K195-Q198 PolarHBondContact O-N 2.92Å; N196-Q198 VanDerWaalsContact C-N 3.25Å; N196-Q198 PolarHBondContact O-N 3.16Å; Q198-I200 VanDerWaalsContact C-N 3.33Å
199N91Very high86.4Confident3 Ų361 Ų612%0.01630%0.298CS..G310 helixtrans-86.7-2.5177.9-75.2-3000113.1L37 K38 Y40 L193 K195 N196 W197L37-N199 CarbonylContact C-O 3.54Å; L37-N199 WeakPolarHBondContact CA-O 3.3Å; L37-N199 WeakPolarHBondContact CD2-O 3.37Å; K38-N199 PolarHBondContact N-O 2.8Å; K38-N199 WeakPolarHBondContact O-CA 3.47Å; Y40-N199 HydrophobicContact CD2-CB 4.34Å; Y40-N199 WeakPolarHBondContact CD2-ND2 3.46Å; L193-N199 HydrophobicContact CB-CB 4.22Å; L193-N199 HydrophobicContact CD1-CB 4.13Å; L193-N199 HydrophobicContact CD2-CB 4.42Å; L193-N199 HydrophobicContact CG-CB 4.5Å; K195-N199 WeakPolarHBondContact CB-OD1 3.45Å; K195-N199 PolarHBondContact N-ND2 3.05Å; N196-N199 PolarHBondContact O-N 3.22Å; W197-N199 PolarHBondContact O-N 2.85Å
200I90.1Very high84.2Confident16 Ų1663.1 Ų63.18%0.08231%0.31CS..EExtended strand (participates in β ladder)trans-97.2123.2177-68.9146.7000108.8V35 L37 K38 V190 L193 W197 Q198 M203V35-I200 HydrophobicContact CG1-CG1 4.23Å; V35-I200 HydrophobicContact CG1-CG2 4.34Å; L37-I200 HydrophobicContact CD2-CG1 4.4Å; K38-I200 WeakPolarHBondContact CE-O 3.44Å; K38-I200 PolarHBondContact NZ-O 3.41Å; V190-I200 HydrophobicContact CG2-CD1 3.71Å; L193-I200 HydrophobicContact CD1-CD1 3.58Å; L193-I200 HydrophobicContact CD1-CG1 3.59Å; W197-I200 HydrophobicContact CE3-CD1 4.09Å; W197-I200 PolarHBondContact O-N 3.24Å; Q198-I200 VanDerWaalsContact C-N 3.33Å; I200-M203 HydrophobicContact CB-CE 4.32Å; I200-M203 HydrophobicContact CD1-CE 3.28Å; I200-M203 HydrophobicContact CG1-CE 3.75Å; I200-M203 HydrophobicContact CG2-CE 3.73Å; I200-M203 HydrophobicContact CG2-CG 3.84Å
201R87.2Confident81.9Confident173 Ų17365.9 Ų65.965%0.65333%0.334SS*.EExtended strand (participates in β ladder)trans-78.6-57.2173.3-165.2-178.2176.4166.8-1.6110V36 K38V36-R201 HydrophobicContact CB-CB 4.38Å; V36-R201 HydrophobicContact CG1-CB 4.12Å; V36-R201 WeakPolarHBondContact O-CA 3.47Å; V36-R201 VanDerWaalsContact O-CB 3.27Å; V36-R201 WeakPolarHBondContact O-CB 3.38Å; V36-R201 PolarHBondContact O-N 3.02Å; K38-R201 HydrophobicContact CB-CB 4Å; K38-R201 HydrophobicContact CB-CG 4.43Å; K38-R201 HydrophobicContact CD-CB 4.28Å; K38-R201 HydrophobicContact CD-CG 4.47Å; K38-R201 HydrophobicContact CG-CB 4.26Å
202Y87Confident79.4Confident120 Ų12069.7 Ų69.747%0.47134%0.343SS..EExtended strand (participates in β ladder)trans-157.3164173.660-99.1000109.7V36V36-Y202 HydrophobicContact CB-CD1 4.26Å; V36-Y202 HydrophobicContact CB-CD2 4.3Å; V36-Y202 HydrophobicContact CB-CE1 3.94Å; V36-Y202 HydrophobicContact CB-CE2 3.98Å; V36-Y202 HydrophobicContact CB-CG 4.44Å; V36-Y202 HydrophobicContact CG1-CE1 4.13Å; V36-Y202 HydrophobicContact CG2-CD2 4.18Å; V36-Y202 HydrophobicContact CG2-CE1 4.06Å; V36-Y202 HydrophobicContact CG2-CE2 3.45Å; V36-Y202 VanDerWaalsContact CG2-CE2 3.45Å; V36-Y202 WeakPolarHBondContact CG2-OH 3.31Å; V36-Y202 PolarHBondContact N-O 3.47Å
203M87.3Confident77.1Confident44 Ų4469.1 Ų69.122%0.21734%0.344CS..EExtended strand (participates in β ladder)trans-127.8142.7170.7-56.6-171.5-176.300108.6L33 Q34 V35 I186 L189 W197 I200L33-M203 HydrophobicContact CD1-CB 4.17Å; L33-M203 HydrophobicContact CD1-SD 4.37Å; Q34-M203 CarbonylContact O-C 3.56Å; Q34-M203 VanDerWaalsContact O-CA 3.24Å; Q34-M203 WeakPolarHBondContact O-CA 3.26Å; V35-M203 HydrophobicContact CB-CG 4.38Å; V35-M203 HydrophobicContact CG1-CE 4.25Å; V35-M203 HydrophobicContact CG1-CG 4.03Å; V35-M203 HydrophobicContact CG2-CB 4.41Å; V35-M203 HydrophobicContact CG2-CE 4.44Å; V35-M203 HydrophobicContact CG2-CG 3.88Å; V35-M203 HydrophobicContact CG2-SD 4.08Å; I186-M203 HydrophobicContact CD1-SD 3.84Å; I186-M203 HydrophobicContact CG1-SD 3.91Å; I186-M203 HydrophobicContact CG2-CE 4.21Å; I186-M203 HydrophobicContact CG2-SD 4.41Å; L189-M203 HydrophobicContact CD2-CE 4.45Å; W197-M203 HydrophobicContact CZ3-CE 4.25Å; I200-M203 HydrophobicContact CB-CE 4.32Å; I200-M203 HydrophobicContact CD1-CE 3.28Å; I200-M203 HydrophobicContact CG1-CE 3.75Å; I200-M203 HydrophobicContact CG2-CE 3.73Å; I200-M203 HydrophobicContact CG2-CG 3.84Å
204T86.1Confident74.8Confident55 Ų5573.8 Ų73.834%0.33737%0.37SS..EExtended strand (participates in β ladder)trans-132.4144.2179.5-50.40000108.9Q34Q34-T204 PolarHBondContact N-O 2.89Å; Q34-T204 PolarHBondContact O-N 3.46Å
205L88Confident72.6Confident22 Ų2274.5 Ų74.512%0.11538%0.375CS..EExtended strand (participates in β ladder)trans-98.7121.1168.3-65.7-179.7000107.9A12 I13 V16 E32 L33 I168 I182A12-L205 HydrophobicContact CB-CD1 3.98Å; I13-L205 HydrophobicContact CG1-CD1 4Å; V16-L205 HydrophobicContact CG2-CB 3.74Å; V16-L205 VanDerWaalsContact CG2-O 3.31Å; V16-L205 WeakPolarHBondContact CG2-O 3.47Å; E32-L205 WeakPolarHBondContact O-CA 3.21Å; L33-L205 HydrophobicContact CB-CD2 4.23Å; L33-L205 HydrophobicContact CD1-CD2 3.8Å; I168-L205 HydrophobicContact CD1-CD2 3.51Å; I182-L205 HydrophobicContact CD1-CD1 3.79Å; I182-L205 HydrophobicContact CD1-CD2 4.17Å; I182-L205 HydrophobicContact CG1-CD2 4.44Å
206D82.6Confident70.4Confident67 Ų6773.8 Ų73.836%0.35838%0.376SS..EExtended strand (participates in β ladder)trans-120.7147.3179.1-97.9-16000111E32 Q34E32-D206 PolarHBondContact N-O 3.47Å; E32-D206 PolarHBondContact O-N 3.23Å; Q34-D206 VanDerWaalsContact CD-OD2 3.27Å; Q34-D206 PolarHBondContact NE2-OD2 2.88Å; Q34-D206 PolarHBondContact OE1-OD2 3.41Å
207V80.3Confident68.5Low37 Ų3773.4 Ų73.422%0.22437%0.374CS..EExtended strand (participates in β ladder)trans-94.6113171.4-174.30000108.9V16 E29 V171V16-V207 HydrophobicContact CB-CG2 4.34Å; V16-V207 HydrophobicContact CG1-CG2 3.23Å; E29-V207 HydrophobicContact CB-CG1 3.2Å; E29-V207 HydrophobicContact CG-CG1 3.85Å; E29-V207 WeakPolarHBondContact OE2-CG1 3.22Å; V171-V207 HydrophobicContact CG2-CG1 4.07Å
208V71.1Confident66.9Low44 Ų4475.2 Ų75.227%0.26738%0.384SS..EExtended strand (participates in β ladder)trans-107.8132.8-178.9-168.40000110T30 E32T30-V208 PolarHBondContact N-O 3.39Å; T30-V208 PolarHBondContact O-N 2.93Å; E32-V208 HydrophobicContact CB-CG2 4.03Å; E32-V208 HydrophobicContact CG-CB 4.2Å; E32-V208 HydrophobicContact CG-CG2 3.71Å
209P62.6Low65.5Low53 Ų5371.8 Ų71.834%0.34437%0.374SS..  trans-67.7145172.827.5-33.6000112.4F27F27-P209 HydrophobicContact CE2-CB 3.4Å; F27-P209 VanDerWaalsContact CE2-CB 3.4Å; F27-P209 HydrophobicContact CZ-CB 3.45Å; F27-P209 VanDerWaalsContact CZ-CB 3.45Å
210N45.6Very low64.6Low45 Ų4579.8 Ų79.824%0.24140%0.404CS..  trans-65.3146.7179.2-85.1-20.2000112.5R28 T30 E212 A213R28-N210 PolarHBondContact O-ND2 2.96Å; T30-N210 PolarHBondContact OG1-OD1 3.12Å; N210-E212 VanDerWaalsContact C-N 3.26Å; N210-E212 PolarHBondContact O-N 2.99Å; N210-E212 VanDerWaalsContact O-N 3.08Å; N210-A213 VanDerWaalsContact O-CB 3.29Å; N210-A213 WeakPolarHBondContact O-CB 3.27Å; N210-A213 PolarHBondContact O-N 3.16Å
211A43.6Very low63.8Low70 Ų7081 Ų8158%0.57941%0.409SS*.THydrogen-bonded Turntrans-60.8-16.2-170.900000116.8A213 D214A211-A213 PolarHBondContact O-N 2.99Å; A211-D214 WeakPolarHBondContact O-CA 3.47Å; A211-D214 WeakPolarHBondContact O-CB 3.5Å; A211-D214 PolarHBondContact O-N 3.37Å
212E39.3Very low63.2Low160 Ų16076.3 Ų76.375%0.74840%0.397SS*.Hα-helixtrans-66.9-26.1170-73.1-179.6161.200112N210 D214N210-E212 VanDerWaalsContact C-N 3.26Å; N210-E212 PolarHBondContact O-N 2.99Å; N210-E212 VanDerWaalsContact O-N 3.08Å; E212-D214 VanDerWaalsContact C-N 3.26Å
213A42.3Very low62.9Low32 Ų3276.2 Ų76.226%0.26441%0.408SS..Hα-helixtrans-70.2-26.2168.900000111.6F27 N210 A211 L216 L217F27-A213 HydrophobicContact CE1-CB 4.42Å; N210-A213 VanDerWaalsContact O-CB 3.29Å; N210-A213 WeakPolarHBondContact O-CB 3.27Å; N210-A213 PolarHBondContact O-N 3.16Å; A211-A213 PolarHBondContact O-N 2.99Å; A213-L216 PolarHBondContact O-N 3.32Å; A213-L217 WeakPolarHBondContact O-CA 3.17Å; A213-L217 WeakPolarHBondContact O-CB 3.15Å; A213-L217 PolarHBondContact O-N 3.39Å
214D42.6Very low62.8Low104 Ų10479.7 Ų79.756%0.55642%0.419SS*.Hα-helixtrans-67.9-38.3-179.4-140.819.7000110.3A211 E212 E218A211-D214 WeakPolarHBondContact O-CA 3.47Å; A211-D214 WeakPolarHBondContact O-CB 3.5Å; A211-D214 PolarHBondContact O-N 3.37Å; E212-D214 VanDerWaalsContact C-N 3.26Å; D214-E218 WeakPolarHBondContact O-CA 2.95Å; D214-E218 WeakPolarHBondContact O-CB 3.35Å; D214-E218 PolarHBondContact O-N 2.98Å
215E40.8Very low63Low135 Ų13577.1 Ų77.163%0.63140%0.403SS*.Hα-helixtrans-72.4-37.6175.2-70.2-168.5163.500113.1S219E215-S219 VanDerWaalsContact O-CB 3.3Å; E215-S219 WeakPolarHBondContact O-CB 3.45Å; E215-S219 PolarHBondContact O-N 3.35Å; E215-S219 PolarHBondContact O-OG 3.31Å
216L43Very low62.9Low104 Ų10479.3 Ų79.355%0.54542%0.415SS..Hα-helixtrans-72.8-36.7176.2-155.991.1000111.8A213 S219 R220A213-L216 PolarHBondContact O-N 3.32Å; L216-S219 WeakPolarHBondContact CA-OG 3.43Å; L216-S219 PolarHBondContact O-OG 3.21Å; L216-R220 WeakPolarHBondContact O-CG 3.37Å; L216-R220 PolarHBondContact O-N 3.49Å; L216-R220 VanDerWaalsContact O-N 3.08Å
217L51.3Low63.1Low77 Ų7785.1 Ų85.140%0.40343%0.432SS..Hα-helixtrans-70.3-45.6175.3-171.972.3000110.2A213 S219 R220 K221A213-L217 WeakPolarHBondContact O-CA 3.17Å; A213-L217 WeakPolarHBondContact O-CB 3.15Å; A213-L217 PolarHBondContact O-N 3.39Å; L217-S219 VanDerWaalsContact C-N 3.33Å; L217-S219 PolarHBondContact O-N 2.97Å; L217-R220 PolarHBondContact O-N 2.82Å; L217-K221 WeakPolarHBondContact O-CB 3.31Å; L217-K221 WeakPolarHBondContact O-CG 3.35Å; L217-K221 PolarHBondContact O-N 2.8Å
218E55.3Low63.5Low92 Ų9285 Ų8543%0.4343%0.429SS..Hα-helixtrans-62.2-41176.1-16679.8-30.700110.9D214 R220 K221 L222D214-E218 WeakPolarHBondContact O-CA 2.95Å; D214-E218 WeakPolarHBondContact O-CB 3.35Å; D214-E218 PolarHBondContact O-N 2.98Å; E218-R220 PolarHBondContact O-N 3.48Å; E218-K221 PolarHBondContact O-N 3Å; E218-L222 HydrophobicContact CG-CD1 4.4Å; E218-L222 WeakPolarHBondContact O-CB 3.44Å; E218-L222 WeakPolarHBondContact O-CG 3.48Å; E218-L222 PolarHBondContact O-N 2.78Å
219S59.4Low64.1Low54 Ų5484.2 Ų84.238%0.37842%0.423SS..Hα-helixtrans-63.4-40.3174.367.80000112.7E215 L216 L217 V223E215-S219 VanDerWaalsContact O-CB 3.3Å; E215-S219 WeakPolarHBondContact O-CB 3.45Å; E215-S219 PolarHBondContact O-N 3.35Å; E215-S219 PolarHBondContact O-OG 3.31Å; L216-S219 WeakPolarHBondContact CA-OG 3.43Å; L216-S219 PolarHBondContact O-OG 3.21Å; L217-S219 VanDerWaalsContact C-N 3.33Å; L217-S219 PolarHBondContact O-N 2.97Å; S219-V223 VanDerWaalsContact O-CG2 3.3Å; S219-V223 WeakPolarHBondContact O-CG2 3.29Å; S219-V223 PolarHBondContact O-N 3.22Å; S219-V223 VanDerWaalsContact O-N 3.12Å
220R71.6Confident65.2Low172 Ų17290.9 Ų90.965%0.64944%0.441SS*.Hα-helixtrans-66.5-38.6174.1-75.2176.5178.1-166.7-1.6112.1L216 L217 E218 V223 R224L216-R220 WeakPolarHBondContact O-CG 3.37Å; L216-R220 PolarHBondContact O-N 3.49Å; L216-R220 VanDerWaalsContact O-N 3.08Å; L217-R220 PolarHBondContact O-N 2.82Å; E218-R220 PolarHBondContact O-N 3.48Å; R220-V223 PolarHBondContact O-N 3.08Å; R220-R224 WeakPolarHBondContact O-CB 3.3Å; R220-R224 PolarHBondContact O-N 2.81Å
221K72.1Confident67.2Low40 Ų4094.4 Ų94.417%0.17446%0.459CS..Hα-helixtrans-65.1-46.2175.6-78.7-172.2166.7-148.30111.9L217 E218 V223 R224 Y225 E241L217-K221 WeakPolarHBondContact O-CB 3.31Å; L217-K221 WeakPolarHBondContact O-CG 3.35Å; L217-K221 PolarHBondContact O-N 2.8Å; E218-K221 PolarHBondContact O-N 3Å; K221-V223 PolarHBondContact O-N 2.82Å; K221-R224 PolarHBondContact O-N 3.46Å; K221-Y225 HydrophobicContact CB-CD2 4.42Å; K221-Y225 HydrophobicContact CG-CE2 4.42Å; K221-Y225 PolarHBondContact O-N 3.27Å; K221-E241 VanDerWaalsContact NZ-CD 3.3Å; K221-E241 IonicContact NZ-OE1 2.85Å; K221-E241 PolarHBondContact NZ-OE1 3.42Å; K221-E241 IonicContact NZ-OE2 2.78Å; K221-E241 PolarHBondContact NZ-OE2 2.9Å
222L75.3Confident69.3Low76 Ų7695.5 Ų95.540%0.39845%0.448SS..Hα-helixtrans-56.9-39.3175-75171.8000111.4E218 D226 L229E218-L222 HydrophobicContact CG-CD1 4.4Å; E218-L222 WeakPolarHBondContact O-CB 3.44Å; E218-L222 WeakPolarHBondContact O-CG 3.48Å; E218-L222 PolarHBondContact O-N 2.78Å; L222-D226 WeakPolarHBondContact O-CA 3.44Å; L222-D226 WeakPolarHBondContact O-CB 3.27Å; L222-D226 PolarHBondContact O-N 3.26Å; L222-L229 HydrophobicContact CD2-CD1 3.75Å
223V80.9Confident71.5Confident118 Ų11894 Ų9472%0.71544%0.441SS*.Hα-helixtrans-72.9-46.2176.5173.40000111.7S219 R220 K221S219-V223 VanDerWaalsContact O-CG2 3.3Å; S219-V223 WeakPolarHBondContact O-CG2 3.29Å; S219-V223 PolarHBondContact O-N 3.22Å; S219-V223 VanDerWaalsContact O-N 3.12Å; R220-V223 PolarHBondContact O-N 3.08Å; K221-V223 PolarHBondContact O-N 2.82Å
224R84.9Confident73.6Confident116 Ų11697.5 Ų97.544%0.43845%0.452SS..Hα-helixtrans-65.5-42.6-176.4178.3178.3-86.2-175.9-14.1112.4R220 K221 N309 E311R220-R224 WeakPolarHBondContact O-CB 3.3Å; R220-R224 PolarHBondContact O-N 2.81Å; K221-R224 PolarHBondContact O-N 3.46Å; R224-N309 PolarHBondContact NH1-OD1 3.19Å; R224-E311 IonicContact NH1-OE1 3.76Å; R224-E311 IonicContact NH1-OE2 2.84Å
225Y89.5Confident75.9Confident2 Ų297.7 Ų97.71%0.00845%0.45CS..THydrogen-bonded Turntrans-105.719.3-174.1-53.6-52.1000113K221 R227 Q228 L229 Q237 P264 N309 E311K221-Y225 HydrophobicContact CB-CD2 4.42Å; K221-Y225 HydrophobicContact CG-CE2 4.42Å; K221-Y225 PolarHBondContact O-N 3.27Å; Y225-R227 VanDerWaalsContact C-N 3.31Å; Y225-R227 PolarHBondContact O-N 3.2Å; Y225-Q228 VanDerWaalsContact C-OE1 3.29Å; Y225-Q228 VanDerWaalsContact CA-OE1 3.28Å; Y225-Q228 WeakPolarHBondContact O-CB 3.19Å; Y225-Q228 PolarHBondContact O-N 2.94Å; Y225-Q228 PolarHBondContact O-OE1 2.56Å; Y225-L229 WeakPolarHBondContact O-CB 3.5Å; Y225-L229 VanDerWaalsContact O-CG 3.3Å; Y225-L229 WeakPolarHBondContact O-CG 3.2Å; Y225-L229 PolarHBondContact O-N 3.4Å; Y225-Q237 HydrophobicContact CD2-CG 4.38Å; Y225-P264 WeakPolarHBondContact CD1-O 3.37Å; Y225-P264 VanDerWaalsContact CE1-C 3.46Å; Y225-P264 VanDerWaalsContact CE1-O 3.3Å; Y225-P264 WeakPolarHBondContact CE1-O 3.35Å; Y225-N309 PolarHBondContact OH-ND2 3.11Å; Y225-E311 PolarHBondContact OH-OE2 3.09Å
226D86.2Confident78.2Confident67 Ų6792 Ų9236%0.35843%0.426SS..Hα-helixtrans-53.2-46.1-176.8179.955.2000112.4L222 Q228 L229 R230L222-D226 WeakPolarHBondContact O-CA 3.44Å; L222-D226 WeakPolarHBondContact O-CB 3.27Å; L222-D226 PolarHBondContact O-N 3.26Å; D226-Q228 VanDerWaalsContact C-N 3.33Å; D226-Q228 PolarHBondContact O-N 2.99Å; D226-L229 PolarHBondContact O-N 2.98Å; D226-R230 WeakPolarHBondContact O-CG 3.42Å; D226-R230 PolarHBondContact O-N 3.24Å; D226-R230 IonicContact OD1-NE 3.61Å; D226-R230 PolarHBondContact OD1-NE 2.81Å; D226-R230 IonicContact OD1-NH2 3.27Å; D226-R230 IonicContact OD2-CZ 3.85Å; D226-R230 VanDerWaalsContact OD2-CZ 3.24Å; D226-R230 IonicContact OD2-NE 2.59Å; D226-R230 PolarHBondContact OD2-NE 3.47Å; D226-R230 VanDerWaalsContact OD2-NE 3.09Å; D226-R230 IonicContact OD2-NH2 3.49Å; D226-R230 PolarHBondContact OD2-NH2 3.05Å
227R87.9Confident80.5Confident190 Ų19087.2 Ų87.272%0.71740%0.402SS*.Hα-helixtrans-61.2-43.4178.8179.6-179.1172.4-174-2.1111.5Y225 R230 L231Y225-R227 VanDerWaalsContact C-N 3.31Å; Y225-R227 PolarHBondContact O-N 3.2Å; R227-R230 PolarHBondContact O-N 3.46Å; R227-L231 HydrophobicContact CG-CD1 4.43Å; R227-L231 WeakPolarHBondContact O-CG 3.48Å; R227-L231 PolarHBondContact O-N 3.08Å
228Q87.4Confident82.4Confident35 Ų3587.4 Ų87.416%0.16440%0.403CS..Hα-helixtrans-65.7-45.4-179.6-70.181.1-5.900110.6Y225 D226 R230 L231 W232 P264Y225-Q228 VanDerWaalsContact C-OE1 3.29Å; Y225-Q228 VanDerWaalsContact CA-OE1 3.28Å; Y225-Q228 WeakPolarHBondContact O-CB 3.19Å; Y225-Q228 PolarHBondContact O-N 2.94Å; Y225-Q228 PolarHBondContact O-OE1 2.56Å; D226-Q228 VanDerWaalsContact C-N 3.33Å; D226-Q228 PolarHBondContact O-N 2.99Å; Q228-R230 VanDerWaalsContact C-N 3.25Å; Q228-R230 PolarHBondContact O-N 3.4Å; Q228-L231 PolarHBondContact O-N 3.25Å; Q228-W232 HydrophobicContact CB-CH2 4.18Å; Q228-W232 HydrophobicContact CB-CZ2 3.34Å; Q228-W232 HydrophobicContact CG-CH2 3.79Å; Q228-W232 HydrophobicContact CG-CZ2 3.27Å; Q228-W232 VanDerWaalsContact O-CD1 3.28Å; Q228-W232 PolarHBondContact O-N 3.3Å; Q228-W232 PolarHBondContact O-NE1 2.87Å; Q228-P264 HydrophobicContact CG-CB 3.85Å
229L85.5Confident84.2Confident27 Ų2792.1 Ų92.114%0.14142%0.417CS..Hα-helixtrans-62.1-30.3176.3-69.2170.4000112.4L222 Y225 D226 L231 E233 Q237L222-L229 HydrophobicContact CD2-CD1 3.75Å; Y225-L229 WeakPolarHBondContact O-CB 3.5Å; Y225-L229 VanDerWaalsContact O-CG 3.3Å; Y225-L229 WeakPolarHBondContact O-CG 3.2Å; Y225-L229 PolarHBondContact O-N 3.4Å; D226-L229 PolarHBondContact O-N 2.98Å; L229-L231 VanDerWaalsContact C-N 3.35Å; L229-E233 WeakPolarHBondContact O-CA 3.47Å; L229-E233 PolarHBondContact O-N 3.3Å; L229-Q237 HydrophobicContact CD2-CB 3.91Å; L229-Q237 HydrophobicContact CD2-CG 4.35Å
230R85.1Confident85.8Confident192 Ų19290.9 Ų90.973%0.72541%0.406SS*.Hα-helixtrans-72.5-25.9171.9-67.4176.2-163.3-156.18.1113.6D226 R227 Q228D226-R230 WeakPolarHBondContact O-CG 3.42Å; D226-R230 PolarHBondContact O-N 3.24Å; D226-R230 IonicContact OD1-NE 3.61Å; D226-R230 PolarHBondContact OD1-NE 2.81Å; D226-R230 IonicContact OD1-NH2 3.27Å; D226-R230 IonicContact OD2-CZ 3.85Å; D226-R230 VanDerWaalsContact OD2-CZ 3.24Å; D226-R230 IonicContact OD2-NE 2.59Å; D226-R230 PolarHBondContact OD2-NE 3.47Å; D226-R230 VanDerWaalsContact OD2-NE 3.09Å; D226-R230 IonicContact OD2-NH2 3.49Å; D226-R230 PolarHBondContact OD2-NH2 3.05Å; R227-R230 PolarHBondContact O-N 3.46Å; Q228-R230 VanDerWaalsContact C-N 3.25Å; Q228-R230 PolarHBondContact O-N 3.4Å
231L87.8Confident86.8Confident120 Ų12085.5 Ų85.563%0.62839%0.388SS*.Hα-helixtrans-88.5-43.2-176.7-71.6170.7000112.8R227 Q228 L229R227-L231 HydrophobicContact CG-CD1 4.43Å; R227-L231 WeakPolarHBondContact O-CG 3.48Å; R227-L231 PolarHBondContact O-N 3.08Å; Q228-L231 PolarHBondContact O-N 3.25Å; L229-L231 VanDerWaalsContact C-N 3.35Å
232W87.7Confident87.9Confident92 Ų9291 Ų9135%0.34841%0.412SS..Hα-helixtrans-13113.3-173.852.162.4000114.1Q228 H235 G236 Q237 L240 P264Q228-W232 HydrophobicContact CB-CH2 4.18Å; Q228-W232 HydrophobicContact CB-CZ2 3.34Å; Q228-W232 HydrophobicContact CG-CH2 3.79Å; Q228-W232 HydrophobicContact CG-CZ2 3.27Å; Q228-W232 VanDerWaalsContact O-CD1 3.28Å; Q228-W232 PolarHBondContact O-N 3.3Å; Q228-W232 PolarHBondContact O-NE1 2.87Å; W232-H235 PolarHBondContact O-CE1 3.42Å; W232-H235 PolarHBondContact O-ND1 3.32Å; W232-G236 VanDerWaalsContact CD1-C 3.49Å; W232-G236 WeakPolarHBondContact O-CA 3.42Å; W232-G236 PolarHBondContact O-N 3.23Å; W232-Q237 VanDerWaalsContact CD1-N 3.27Å; W232-Q237 VanDerWaalsContact NE1-OE1 3.08Å; W232-L240 HydrophobicContact CZ2-CD2 4.04Å; W232-P264 HydrophobicContact CZ2-CB 4.36Å
233E84.7Confident88.9Confident128 Ų12888.2 Ų88.260%0.59840%0.4SS*.Hα-helixtrans56.3-175179.5-53.5-174151.600113.6L229 H235 G236 Q237L229-E233 WeakPolarHBondContact O-CA 3.47Å; L229-E233 PolarHBondContact O-N 3.3Å; E233-H235 VanDerWaalsContact C-N 3.28Å; E233-H235 PolarHBondContact O-N 2.88Å; E233-H235 IonicContact OE2-ND1 2.64Å; E233-G236 PolarHBondContact O-N 3.32Å; E233-Q237 PolarHBondContact O-N 3.49Å
234H86.9Confident89.7Confident106 Ų10689 Ų8949%0.49139%0.39SS..Hα-helixtrans-60-38.4176.9-69.7-82000112.4G236 Q237 D238H234-G236 VanDerWaalsContact C-N 3.33Å; H234-G236 PolarHBondContact O-N 2.8Å; H234-Q237 PolarHBondContact O-N 3.08Å; H234-D238 WeakPolarHBondContact O-CB 3.34Å; H234-D238 VanDerWaalsContact O-CG 3.26Å; H234-D238 PolarHBondContact O-N 2.77Å
235H89.8Confident90.3Very high109 Ų10983.7 Ų83.751%0.50537%0.37SS..Hα-helixtrans-66.7-35.2-17682.9-85.1000112.4W232 E233 R239W232-H235 PolarHBondContact O-CE1 3.42Å; W232-H235 PolarHBondContact O-ND1 3.32Å; E233-H235 VanDerWaalsContact C-N 3.28Å; E233-H235 PolarHBondContact O-N 2.88Å; E233-H235 IonicContact OE2-ND1 2.64Å; H235-R239 WeakPolarHBondContact O-CG 3.34Å; H235-R239 PolarHBondContact O-N 2.76Å
236G89.1Confident90.7Very high14 Ų1483.6 Ų83.614%0.14437%0.37CS..Hα-helixtrans-69.2-42.1175.600000111.7W232 E233 H234 D238 R239 L240W232-G236 VanDerWaalsContact CD1-C 3.49Å; W232-G236 WeakPolarHBondContact O-CA 3.42Å; W232-G236 PolarHBondContact O-N 3.23Å; E233-G236 PolarHBondContact O-N 3.32Å; H234-G236 VanDerWaalsContact C-N 3.33Å; H234-G236 PolarHBondContact O-N 2.8Å; G236-D238 PolarHBondContact O-N 2.97Å; G236-R239 PolarHBondContact O-N 3.09Å; G236-L240 PolarHBondContact O-N 3.31Å
237Q92.1Very high91.2Very high5 Ų580.4 Ų80.42%0.02335%0.353CS..Hα-helixtrans-63.5-43.1176.2-168.561.529.400111.1Y225 L229 W232 E233 H234 R239 L240 E241 P264Y225-Q237 HydrophobicContact CD2-CG 4.38Å; L229-Q237 HydrophobicContact CD2-CB 3.91Å; L229-Q237 HydrophobicContact CD2-CG 4.35Å; W232-Q237 VanDerWaalsContact CD1-N 3.27Å; W232-Q237 VanDerWaalsContact NE1-OE1 3.08Å; E233-Q237 PolarHBondContact O-N 3.49Å; H234-Q237 PolarHBondContact O-N 3.08Å; Q237-R239 VanDerWaalsContact C-N 3.25Å; Q237-R239 PolarHBondContact O-N 2.97Å; Q237-L240 WeakPolarHBondContact O-CB 3.4Å; Q237-L240 PolarHBondContact O-N 3.25Å; Q237-L240 VanDerWaalsContact O-N 3.12Å; Q237-E241 WeakPolarHBondContact O-CG 3.31Å; Q237-E241 PolarHBondContact O-N 3.34Å; Q237-P264 PolarHBondContact NE2-O 3.21Å
238D90.9Very high91.5Very high80 Ų8071.6 Ų71.643%0.42832%0.32SS..Hα-helixtrans-59.9-33.6175.3-75.1-14.5000113H234 G236 K242H234-D238 WeakPolarHBondContact O-CB 3.34Å; H234-D238 VanDerWaalsContact O-CG 3.26Å; H234-D238 PolarHBondContact O-N 2.77Å; G236-D238 PolarHBondContact O-N 2.97Å; D238-K242 VanDerWaalsContact O-CD 3.31Å; D238-K242 WeakPolarHBondContact O-CD 3.25Å; D238-K242 VanDerWaalsContact O-CG 3.26Å; D238-K242 WeakPolarHBondContact O-CG 3.25Å; D238-K242 PolarHBondContact O-N 2.85Å
239R94.2Very high91.7Very high191 Ų19170.9 Ų70.972%0.72132%0.317SS*.Hα-helixtrans-73.3-40.7175.4-75-178.872.2172.42.2111.1H235 G236 Q237 K242 A243H235-R239 WeakPolarHBondContact O-CG 3.34Å; H235-R239 PolarHBondContact O-N 2.76Å; G236-R239 PolarHBondContact O-N 3.09Å; Q237-R239 VanDerWaalsContact C-N 3.25Å; Q237-R239 PolarHBondContact O-N 2.97Å; R239-K242 PolarHBondContact O-N 2.83Å; R239-A243 PolarHBondContact O-N 3.12Å
240L93Very high91.9Very high28 Ų2869.7 Ų69.715%0.14731%0.311CS..Hα-helixtrans-62.6-46.3177.6-17264.2000111.1W232 G236 Q237 K242 A243 P264 I266 G267W232-L240 HydrophobicContact CZ2-CD2 4.04Å; G236-L240 PolarHBondContact O-N 3.31Å; Q237-L240 WeakPolarHBondContact O-CB 3.4Å; Q237-L240 PolarHBondContact O-N 3.25Å; Q237-L240 VanDerWaalsContact O-N 3.12Å; L240-K242 PolarHBondContact O-N 3.4Å; L240-A243 WeakPolarHBondContact O-CB 3.46Å; L240-A243 PolarHBondContact O-N 2.96Å; L240-A243 VanDerWaalsContact O-N 3.08Å; L240-P264 HydrophobicContact CD2-CB 3.76Å; L240-P264 HydrophobicContact CD2-CG 4.03Å; L240-P264 WeakPolarHBondContact CD2-O 3.44Å; L240-I266 HydrophobicContact CD1-CB 4.18Å; L240-I266 HydrophobicContact CD1-CD1 3.9Å; L240-I266 HydrophobicContact CD1-CG1 4.1Å; L240-I266 HydrophobicContact CG-CB 4.46Å; L240-I266 WeakPolarHBondContact O-CA 3.31Å; L240-G267 PolarHBondContact O-N 2.97Å
241E92.7Very high92.2Very high59 Ų5961.9 Ų61.928%0.27629%0.285SS..THydrogen-bonded Turntrans-65.4-18.1177-70.2-173.5-171.300113.6K221 Q237 G267K221-E241 VanDerWaalsContact NZ-CD 3.3Å; K221-E241 IonicContact NZ-OE1 2.85Å; K221-E241 PolarHBondContact NZ-OE1 3.42Å; K221-E241 IonicContact NZ-OE2 2.78Å; K221-E241 PolarHBondContact NZ-OE2 2.9Å; Q237-E241 WeakPolarHBondContact O-CG 3.31Å; Q237-E241 PolarHBondContact O-N 3.34Å; E241-G267 WeakPolarHBondContact O-CA 3.42Å
242K93.7Very high92.3Very high157 Ų15757.8 Ų57.868%0.68327%0.269SS*.THydrogen-bonded Turntrans-97.9-11.8175.2-71.1170.1-170.1154.80113.3D238 R239 L240D238-K242 VanDerWaalsContact O-CD 3.31Å; D238-K242 WeakPolarHBondContact O-CD 3.25Å; D238-K242 VanDerWaalsContact O-CG 3.26Å; D238-K242 WeakPolarHBondContact O-CG 3.25Å; D238-K242 PolarHBondContact O-N 2.85Å; R239-K242 PolarHBondContact O-N 2.83Å; L240-K242 PolarHBondContact O-N 3.4Å
243A96.5Very high92.6Very high17 Ų1758.5 Ų58.514%0.1428%0.283CS..  trans-73.3143.6-175.900000111.2R239 L240 I266 G267 S268R239-A243 PolarHBondContact O-N 3.12Å; L240-A243 WeakPolarHBondContact O-CB 3.46Å; L240-A243 PolarHBondContact O-N 2.96Å; L240-A243 VanDerWaalsContact O-N 3.08Å; A243-I266 HydrophobicContact CB-CD1 4.17Å; A243-I266 HydrophobicContact CB-CG1 4.06Å; A243-G267 WeakPolarHBondContact O-CA 3.47Å; A243-G267 PolarHBondContact O-N 2.87Å; A243-S268 PolarHBondContact O-N 3.06Å
244R97.3Very high93Very high134 Ų13452.4 Ų52.451%0.50625%0.254SS..EExtended strand (participates in β ladder)trans-118.3118.2174.5-56-171.4174.8165.6-3.8108.6S268 N334 F335 S336R244-S268 CarbonylContact C-O 3.6Å; R244-S268 VanDerWaalsContact CA-O 3.31Å; R244-S268 WeakPolarHBondContact CA-O 3.4Å; R244-S268 WeakPolarHBondContact CG-OG 3.28Å; R244-N334 WeakPolarHBondContact CD-O 3.31Å; R244-F335 HydrophobicContact CB-CD1 4.19Å; R244-F335 CarbonylContact O-C 3.39Å; R244-F335 WeakPolarHBondContact O-CA 3.34Å; R244-S336 PolarHBondContact N-OG 3.02Å; R244-S336 VanDerWaalsContact N-OG 3.09Å; R244-S336 WeakPolarHBondContact O-CB 3.11Å; R244-S336 PolarHBondContact O-N 3.23Å
245V97.8Very high93.4Very high5 Ų547.3 Ų47.33%0.0323%0.231CC..EExtended strand (participates in β ladder)trans-111.9132.9-176.6175.90000110.9L258 L261 I266 S268 F269 T270 V337 I339V245-L258 HydrophobicContact CG1-CD2 4.16Å; V245-L261 HydrophobicContact CG1-CD1 4.24Å; V245-I266 HydrophobicContact CB-CD1 4.27Å; V245-I266 HydrophobicContact CG2-CD1 3.31Å; V245-I266 HydrophobicContact CG2-CG1 4.27Å; V245-S268 PolarHBondContact N-O 2.76Å; V245-F269 CarbonylContact O-C 3.51Å; V245-F269 WeakPolarHBondContact O-CA 3.32Å; V245-T270 PolarHBondContact O-N 3.34Å; V245-V337 WeakPolarHBondContact CA-O 3.46Å; V245-V337 HydrophobicContact CG2-CB 4.39Å; V245-I339 HydrophobicContact CG1-CD1 3.74Å; V245-I339 HydrophobicContact CG1-CG1 4.03Å
246C97.7Very high93.7Very high0 Ų045.8 Ų45.80%022%0.224CC..EExtended strand (participates in β ladder)trans-100.4132.7170.4-1720000109.1T270 F335 V337 V338 I339C246-T270 CarbonylContact C-O 3.51Å; C246-T270 WeakPolarHBondContact CA-O 3.49Å; C246-F335 HydrophobicContact CB-CB 4.22Å; C246-F335 HydrophobicContact CB-CD1 3.63Å; C246-F335 HydrophobicContact CB-CD2 3.79Å; C246-F335 HydrophobicContact CB-CE1 3.83Å; C246-F335 HydrophobicContact CB-CE2 3.99Å; C246-F335 HydrophobicContact CB-CG 3.59Å; C246-F335 HydrophobicContact CB-CZ 4Å; C246-V337 PolarHBondContact N-O 3.04Å; C246-V338 HydrophobicContact CB-CB 4.42Å; C246-V338 HydrophobicContact CB-CG1 4.18Å; C246-V338 HydrophobicContact CB-CG2 4.09Å; C246-V338 CarbonylContact O-C 3.58Å; C246-V338 WeakPolarHBondContact O-CA 3Å; C246-I339 PolarHBondContact O-N 3.18Å
247L97.6Very high94Very high0 Ų046.7 Ų46.70%023%0.23CC..EExtended strand (participates in β ladder)trans-108126.7167.2174.167.9000108.6G254 L258 T270 I271 V272 I339 T341L247-G254 VanDerWaalsContact CD2-C 3.43Å; L247-L258 HydrophobicContact CB-CD1 3.75Å; L247-L258 HydrophobicContact CB-CD2 4.48Å; L247-L258 HydrophobicContact CB-CG 4.16Å; L247-L258 HydrophobicContact CD2-CD1 3.52Å; L247-L258 HydrophobicContact CD2-CG 4Å; L247-L258 HydrophobicContact CG-CD1 4.26Å; L247-T270 PolarHBondContact N-O 3.26Å; L247-I271 HydrophobicContact CB-CG1 4.34Å; L247-I271 HydrophobicContact CD2-CG1 4.29Å; L247-I271 HydrophobicContact CD2-CG2 4.4Å; L247-I271 WeakPolarHBondContact O-CA 3.45Å; L247-V272 PolarHBondContact O-N 3.09Å; L247-I339 HydrophobicContact CD1-CB 4.03Å; L247-I339 HydrophobicContact CD1-CG2 3.88Å; L247-T341 HydrophobicContact CD1-CG2 3.99Å
248L94.3Very high94.3Very high4 Ų446.5 Ų46.52%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-95.7126.2170.2-55.5175.5000109.3V272 P321 F325 F332 V338 I339 T341 L343L248-V272 HydrophobicContact CD2-CB 3.82Å; L248-V272 HydrophobicContact CD2-CG1 4.21Å; L248-V272 HydrophobicContact CD2-CG2 4.12Å; L248-P321 HydrophobicContact CB-CB 4.3Å; L248-P321 HydrophobicContact CB-CG 3.96Å; L248-P321 HydrophobicContact CD1-CB 4.44Å; L248-P321 HydrophobicContact CD2-CB 4.07Å; L248-P321 HydrophobicContact CD2-CG 4.23Å; L248-F325 HydrophobicContact CD1-CE1 4.39Å; L248-F325 HydrophobicContact CD1-CE2 4.35Å; L248-F325 HydrophobicContact CD1-CZ 3.59Å; L248-F332 HydrophobicContact CD2-CE1 3.65Å; L248-F332 HydrophobicContact CD2-CZ 3.98Å; L248-V338 HydrophobicContact CD1-CG1 3.8Å; L248-V338 HydrophobicContact CG-CG1 3.89Å; L248-I339 PolarHBondContact N-O 3.48Å; L248-T341 PolarHBondContact O-N 2.85Å; L248-T341 PolarHBondContact O-OG1 3.2Å; L248-L343 HydrophobicContact CB-CD2 3.91Å; L248-L343 HydrophobicContact CD1-CD1 4Å; L248-L343 HydrophobicContact CD1-CD2 4.09Å
249N90.7Very high94.5Very high21 Ų2145.5 Ų45.511%0.11222%0.221CC..SBendtrans64.1125.6-171.1-57.2-29000113.6T251 V272 P321 T341 N342N249-T251 HydrophobicContact CB-CG2 3.85Å; N249-T251 PolarHBondContact O-N 2.87Å; N249-V272 PolarHBondContact N-O 3.48Å; N249-P321 VanDerWaalsContact OD1-CD 3.31Å; N249-P321 WeakPolarHBondContact OD1-CD 3.25Å; N249-P321 WeakPolarHBondContact OD1-CG 3.43Å; N249-T341 WeakPolarHBondContact CB-O 3.44Å; N249-T341 PolarHBondContact ND2-O 2.84Å; N249-T341 PolarHBondContact O-OG1 3.31Å; N249-T341 VanDerWaalsContact O-OG1 3.1Å; N249-N342 PolarHBondContact ND2-O 2.81Å
250A91Very high94.6Very high1 Ų139.8 Ų39.81%0.00821%0.211CC..  trans-79.257176.800000111.1I271 D273 N285 K297 A301A250-I271 HydrophobicContact CB-CG2 3.87Å; A250-D273 WeakPolarHBondContact CA-OD2 3.35Å; A250-D273 HydrophobicContact CB-CB 4.11Å; A250-D273 VanDerWaalsContact CB-OD2 3.27Å; A250-D273 WeakPolarHBondContact CB-OD2 3.42Å; A250-D273 PolarHBondContact N-OD2 2.85Å; A250-N285 PolarHBondContact O-ND2 3.29Å; A250-K297 HydrophobicContact CB-CB 4.12Å; A250-A301 HydrophobicContact CB-CB 4.35Å
251T90Very high94.8Very high29 Ų2940.7 Ų40.718%0.17822%0.215CC..  trans-77.6162177.269.30000111.2N249 T253 G254 C255 T341 N342N249-T251 HydrophobicContact CB-CG2 3.85Å; N249-T251 PolarHBondContact O-N 2.87Å; T251-T253 VanDerWaalsContact C-N 3.31Å; T251-T253 PolarHBondContact O-N 2.92Å; T251-G254 PolarHBondContact O-N 2.92Å; T251-G254 VanDerWaalsContact O-N 3.16Å; T251-G254 PolarHBondContact OG1-N 3.18Å; T251-C255 WeakPolarHBondContact O-CB 3.15Å; T251-C255 PolarHBondContact O-N 3.05Å; T251-C255 PolarHBondContact O-SG 3.36Å; T251-T341 WeakPolarHBondContact CG2-OG1 3.35Å; T251-T341 VanDerWaalsContact OG1-CB 3.25Å; T251-T341 WeakPolarHBondContact OG1-CB 3.25Å; T251-T341 PolarHBondContact OG1-OG1 2.83Å; T251-N342 HydrophobicContact CG2-CB 3.75Å
252A91.1Very high95Very high34 Ų3437.9 Ų37.928%0.28120%0.202SC..Hα-helixtrans-55-46.2174.500000112G254 C255 E256 N284 N285A252-G254 PolarHBondContact O-N 2.94Å; A252-C255 PolarHBondContact O-N 2.9Å; A252-E256 VanDerWaalsContact O-CB 3.32Å; A252-E256 WeakPolarHBondContact O-CB 3.1Å; A252-E256 VanDerWaalsContact O-CG 3.28Å; A252-E256 WeakPolarHBondContact O-CG 3.28Å; A252-E256 PolarHBondContact O-N 3.17Å; A252-N284 WeakPolarHBondContact CB-O 3.2Å; A252-N285 HydrophobicContact CB-CB 4.13Å
253T93.1Very high95Very high106 Ų10634.6 Ų34.665%0.6519%0.191SC*.Hα-helixtrans-61.5-44176-54.40000112.1T251 E256 A257T251-T253 VanDerWaalsContact C-N 3.31Å; T251-T253 PolarHBondContact O-N 2.92Å; T253-E256 PolarHBondContact O-N 2.95Å; T253-A257 WeakPolarHBondContact O-CB 3.44Å; T253-A257 PolarHBondContact O-N 2.95Å
254G94.4Very high94.8Very high0 Ų034.4 Ų34.40%019%0.189CC..Hα-helixtrans-63.2-46.2178.600000112.6L247 T251 A252 A257 L258L247-G254 VanDerWaalsContact CD2-C 3.43Å; T251-G254 PolarHBondContact O-N 2.92Å; T251-G254 VanDerWaalsContact O-N 3.16Å; T251-G254 PolarHBondContact OG1-N 3.18Å; A252-G254 PolarHBondContact O-N 2.94Å; G254-A257 WeakPolarHBondContact O-CB 3.41Å; G254-A257 PolarHBondContact O-N 3.18Å; G254-L258 PolarHBondContact O-N 2.81Å
255C94.7Very high94.6Very high0 Ų028.2 Ų28.20%017%0.167CC..Hα-helixtrans-65.9-38.5177.3-66.60000112.2T251 A252 L258 K259 N285 F287T251-C255 WeakPolarHBondContact O-CB 3.15Å; T251-C255 PolarHBondContact O-N 3.05Å; T251-C255 PolarHBondContact O-SG 3.36Å; A252-C255 PolarHBondContact O-N 2.9Å; C255-L258 PolarHBondContact O-N 3.03Å; C255-K259 WeakPolarHBondContact O-CB 3.45Å; C255-K259 PolarHBondContact O-N 3Å; C255-N285 PolarHBondContact SG-ND2 2.85Å; C255-N285 VanDerWaalsContact SG-ND2 3.4Å; C255-F287 HydrophobicContact CB-CB 4.25Å; C255-F287 HydrophobicContact CB-CD2 3.48Å; C255-F287 VanDerWaalsContact CB-CD2 3.48Å; C255-F287 HydrophobicContact CB-CE2 4.14Å; C255-F287 HydrophobicContact CB-CG 4.08Å
256E95.5Very high94.5Very high77 Ų7728.2 Ų28.236%0.3617%0.166SC..Hα-helixtrans-65.8-35.5174.4-79.1-70124.700113A252 T253 K259 S260A252-E256 VanDerWaalsContact O-CB 3.32Å; A252-E256 WeakPolarHBondContact O-CB 3.1Å; A252-E256 VanDerWaalsContact O-CG 3.28Å; A252-E256 WeakPolarHBondContact O-CG 3.28Å; A252-E256 PolarHBondContact O-N 3.17Å; T253-E256 PolarHBondContact O-N 2.95Å; E256-K259 WeakPolarHBondContact O-CB 3.49Å; E256-K259 IonicContact OE1-NZ 3.51Å; E256-K259 PolarHBondContact OE1-NZ 3.21Å; E256-K259 VanDerWaalsContact OE2-CE 3.31Å; E256-K259 WeakPolarHBondContact OE2-CE 3.12Å; E256-K259 IonicContact OE2-NZ 3.25Å; E256-K259 PolarHBondContact OE2-NZ 3.16Å; E256-S260 PolarHBondContact O-N 3.08Å; E256-S260 VanDerWaalsContact O-N 3.15Å; E256-S260 PolarHBondContact O-OG 2.93Å
257A96.7Very high94.3Very high33 Ų3329.1 Ų29.127%0.27318%0.176SC..Hα-helixtrans-64.6-47.6170.800000111.2T253 G254 K259 S260 L261T253-A257 WeakPolarHBondContact O-CB 3.44Å; T253-A257 PolarHBondContact O-N 2.95Å; G254-A257 WeakPolarHBondContact O-CB 3.41Å; G254-A257 PolarHBondContact O-N 3.18Å; A257-K259 PolarHBondContact O-N 3.42Å; A257-S260 WeakPolarHBondContact O-CB 2.88Å; A257-S260 PolarHBondContact O-N 2.85Å; A257-S260 VanDerWaalsContact O-N 3.16Å; A257-L261 WeakPolarHBondContact O-CG 3.44Å; A257-L261 PolarHBondContact O-N 3.17Å; A257-L261 VanDerWaalsContact O-N 3.16Å
258L97.1Very high94.3Very high0 Ų030 Ų300%018%0.182CC..Hα-helixtrans-62.8-40.4175.9-77.3-176.3000112.4V245 L247 G254 C255 S260 L261 V262 F269 I271 L305V245-L258 HydrophobicContact CG1-CD2 4.16Å; L247-L258 HydrophobicContact CB-CD1 3.75Å; L247-L258 HydrophobicContact CB-CD2 4.48Å; L247-L258 HydrophobicContact CB-CG 4.16Å; L247-L258 HydrophobicContact CD2-CD1 3.52Å; L247-L258 HydrophobicContact CD2-CG 4Å; L247-L258 HydrophobicContact CG-CD1 4.26Å; G254-L258 PolarHBondContact O-N 2.81Å; C255-L258 PolarHBondContact O-N 3.03Å; L258-S260 PolarHBondContact O-N 3.21Å; L258-L261 HydrophobicContact CD2-CD1 4.33Å; L258-L261 CarbonylContact O-C 3.35Å; L258-L261 WeakPolarHBondContact O-CA 3.37Å; L258-L261 PolarHBondContact O-N 3.17Å; L258-V262 WeakPolarHBondContact O-CB 3.26Å; L258-V262 WeakPolarHBondContact O-CG2 3.37Å; L258-V262 PolarHBondContact O-N 2.85Å; L258-F269 HydrophobicContact CD1-CD2 3.71Å; L258-F269 HydrophobicContact CD1-CE2 4.2Å; L258-F269 HydrophobicContact CD1-CG 4.28Å; L258-F269 HydrophobicContact CD2-CB 3.85Å; L258-F269 HydrophobicContact CD2-CD2 4.42Å; L258-F269 HydrophobicContact CD2-CG 4.19Å; L258-I271 HydrophobicContact CD1-CD1 3.81Å; L258-I271 HydrophobicContact CD1-CG1 3.6Å; L258-L305 HydrophobicContact CB-CD1 3.73Å; L258-L305 HydrophobicContact CB-CD2 4.18Å; L258-L305 HydrophobicContact CD1-CD1 3.75Å; L258-L305 HydrophobicContact CG-CD1 4.43Å
259K96.6Very high94.5Very high59 Ų5929.8 Ų29.826%0.25718%0.181SC..Hα-helixtrans-51.5-48.2172.3-178.1-171.476.6-169.40110.9C255 E256 A257 L261 V262 L263 F287 L305 L308C255-K259 WeakPolarHBondContact O-CB 3.45Å; C255-K259 PolarHBondContact O-N 3Å; E256-K259 WeakPolarHBondContact O-CB 3.49Å; E256-K259 IonicContact OE1-NZ 3.51Å; E256-K259 PolarHBondContact OE1-NZ 3.21Å; E256-K259 VanDerWaalsContact OE2-CE 3.31Å; E256-K259 WeakPolarHBondContact OE2-CE 3.12Å; E256-K259 IonicContact OE2-NZ 3.25Å; E256-K259 PolarHBondContact OE2-NZ 3.16Å; A257-K259 PolarHBondContact O-N 3.42Å; K259-L261 PolarHBondContact O-N 3.39Å; K259-V262 PolarHBondContact O-N 3.25Å; K259-L263 HydrophobicContact CG-CD1 4.05Å; K259-L263 HydrophobicContact CG-CG 4.49Å; K259-L263 VanDerWaalsContact O-CG 3.29Å; K259-L263 WeakPolarHBondContact O-CG 3.35Å; K259-L263 PolarHBondContact O-N 3.29Å; K259-F287 HydrophobicContact CB-CE2 4.21Å; K259-F287 HydrophobicContact CB-CZ 3.77Å; K259-F287 HydrophobicContact CD-CE2 4.33Å; K259-F287 HydrophobicContact CD-CZ 3.81Å; K259-F287 HydrophobicContact CG-CZ 3.89Å; K259-L305 HydrophobicContact CB-CD2 4.05Å; K259-L308 HydrophobicContact CB-CD1 4.34Å; K259-L308 HydrophobicContact CG-CD1 3.68Å
260S95.8Very high94.8Very high72 Ų7229.5 Ų29.550%0.50318%0.18SC..Hα-helixtrans-67.1-18.4-179.5-57.20000113.4E256 A257 L258 P264E256-S260 PolarHBondContact O-N 3.08Å; E256-S260 VanDerWaalsContact O-N 3.15Å; E256-S260 PolarHBondContact O-OG 2.93Å; A257-S260 WeakPolarHBondContact O-CB 2.88Å; A257-S260 PolarHBondContact O-N 2.85Å; A257-S260 VanDerWaalsContact O-N 3.16Å; L258-S260 PolarHBondContact O-N 3.21Å; S260-P264 WeakPolarHBondContact O-CD 3.47Å; S260-P264 WeakPolarHBondContact O-CG 3.4Å
261L96.3Very high95.1Very high46 Ų4629.4 Ų29.424%0.24118%0.179CC..Hα-helixtrans-95-33.3174.5-65.4170.9000113.1V245 A257 L258 K259 P264 I266 I339V245-L261 HydrophobicContact CG1-CD1 4.24Å; A257-L261 WeakPolarHBondContact O-CG 3.44Å; A257-L261 PolarHBondContact O-N 3.17Å; A257-L261 VanDerWaalsContact O-N 3.16Å; L258-L261 HydrophobicContact CD2-CD1 4.33Å; L258-L261 CarbonylContact O-C 3.35Å; L258-L261 WeakPolarHBondContact O-CA 3.37Å; L258-L261 PolarHBondContact O-N 3.17Å; K259-L261 PolarHBondContact O-N 3.39Å; L261-P264 VanDerWaalsContact C-CD 3.49Å; L261-P264 VanDerWaalsContact O-CD 3.29Å; L261-P264 WeakPolarHBondContact O-CD 3.27Å; L261-P264 WeakPolarHBondContact O-CG 3.47Å; L261-I266 HydrophobicContact CB-CB 4.32Å; L261-I266 HydrophobicContact CB-CD1 4.08Å; L261-I266 HydrophobicContact CB-CG2 4.12Å; L261-I266 HydrophobicContact CD1-CD1 4.35Å; L261-I266 HydrophobicContact CD2-CD1 4.17Å; L261-I266 HydrophobicContact CG-CD1 4.44Å; L261-I266 WeakPolarHBondContact O-CB 3.39Å; L261-I266 WeakPolarHBondContact O-CG2 3.08Å; L261-I266 PolarHBondContact O-N 3.27Å; L261-I266 VanDerWaalsContact O-N 3.09Å; L261-I339 HydrophobicContact CD1-CD1 3.87Å
262V96.4Very high95.4Very high0 Ų028 Ų280%017%0.171CC..Hα-helixtrans-70.8-43.1178.5170.70000111.1L258 K259 G265 I266 F269 L305 L308 N309 V312L258-V262 WeakPolarHBondContact O-CB 3.26Å; L258-V262 WeakPolarHBondContact O-CG2 3.37Å; L258-V262 PolarHBondContact O-N 2.85Å; K259-V262 PolarHBondContact O-N 3.25Å; V262-G265 PolarHBondContact O-N 3.44Å; V262-I266 HydrophobicContact CG2-CG2 4.47Å; V262-F269 HydrophobicContact CG2-CD1 3.8Å; V262-F269 HydrophobicContact CG2-CE1 3.7Å; V262-L305 WeakPolarHBondContact CG1-O 3.37Å; V262-L305 HydrophobicContact CG2-CB 4.47Å; V262-L308 HydrophobicContact CG1-CB 4.01Å; V262-N309 HydrophobicContact CG1-CB 3.8Å; V262-N309 WeakPolarHBondContact O-CB 3.46Å; V262-N309 PolarHBondContact O-ND2 2.96Å; V262-V312 HydrophobicContact CG1-CB 4.25Å; V262-V312 HydrophobicContact CG1-CG1 4.43Å; V262-V312 HydrophobicContact CG1-CG2 4.1Å; V262-V312 HydrophobicContact CG2-CG1 4.14Å
263L94.6Very high95.4Very high88 Ų8826.5 Ų26.546%0.46116%0.158SC..THydrogen-bonded Turntrans-55.9-45.3178.1-72170.8000113.8K259 G265 L308K259-L263 HydrophobicContact CG-CD1 4.05Å; K259-L263 HydrophobicContact CG-CG 4.49Å; K259-L263 VanDerWaalsContact O-CG 3.29Å; K259-L263 WeakPolarHBondContact O-CG 3.35Å; K259-L263 PolarHBondContact O-N 3.29Å; L263-G265 VanDerWaalsContact C-N 3.26Å; L263-G265 PolarHBondContact O-N 2.86Å; L263-L308 HydrophobicContact CD2-CB 4.28Å
264P92.5Very high95.1Very high13 Ų1322.9 Ų22.98%0.08414%0.141CC..THydrogen-bonded Turntrans-802.6174.132.7-37.9000114.4Y225 Q228 W232 Q237 L240 S260 L261Y225-P264 WeakPolarHBondContact CD1-O 3.37Å; Y225-P264 VanDerWaalsContact CE1-C 3.46Å; Y225-P264 VanDerWaalsContact CE1-O 3.3Å; Y225-P264 WeakPolarHBondContact CE1-O 3.35Å; Q228-P264 HydrophobicContact CG-CB 3.85Å; W232-P264 HydrophobicContact CZ2-CB 4.36Å; Q237-P264 PolarHBondContact NE2-O 3.21Å; L240-P264 HydrophobicContact CD2-CB 3.76Å; L240-P264 HydrophobicContact CD2-CG 4.03Å; L240-P264 WeakPolarHBondContact CD2-O 3.44Å; S260-P264 WeakPolarHBondContact O-CD 3.47Å; S260-P264 WeakPolarHBondContact O-CG 3.4Å; L261-P264 VanDerWaalsContact C-CD 3.49Å; L261-P264 VanDerWaalsContact O-CD 3.29Å; L261-P264 WeakPolarHBondContact O-CD 3.27Å; L261-P264 WeakPolarHBondContact O-CG 3.47Å
265G92.7Very high94.6Very high4 Ų427 Ų274%0.04116%0.164CC..THydrogen-bonded Turntrans87.947.4170.600000115V262 L263 N309V262-G265 PolarHBondContact O-N 3.44Å; L263-G265 VanDerWaalsContact C-N 3.26Å; L263-G265 PolarHBondContact O-N 2.86Å; G265-N309 WeakPolarHBondContact CA-ND2 3.33Å
266I95.9Very high94Very high5 Ų533.1 Ų33.13%0.02619%0.19CC..  trans-60142.3169.9-160.9143.3000111.9L240 A243 V245 L261 V262 V312L240-I266 HydrophobicContact CD1-CB 4.18Å; L240-I266 HydrophobicContact CD1-CD1 3.9Å; L240-I266 HydrophobicContact CD1-CG1 4.1Å; L240-I266 HydrophobicContact CG-CB 4.46Å; L240-I266 WeakPolarHBondContact O-CA 3.31Å; A243-I266 HydrophobicContact CB-CD1 4.17Å; A243-I266 HydrophobicContact CB-CG1 4.06Å; V245-I266 HydrophobicContact CB-CD1 4.27Å; V245-I266 HydrophobicContact CG2-CD1 3.31Å; V245-I266 HydrophobicContact CG2-CG1 4.27Å; L261-I266 HydrophobicContact CB-CB 4.32Å; L261-I266 HydrophobicContact CB-CD1 4.08Å; L261-I266 HydrophobicContact CB-CG2 4.12Å; L261-I266 HydrophobicContact CD1-CD1 4.35Å; L261-I266 HydrophobicContact CD2-CD1 4.17Å; L261-I266 HydrophobicContact CG-CD1 4.44Å; L261-I266 WeakPolarHBondContact O-CB 3.39Å; L261-I266 WeakPolarHBondContact O-CG2 3.08Å; L261-I266 PolarHBondContact O-N 3.27Å; L261-I266 VanDerWaalsContact O-N 3.09Å; V262-I266 HydrophobicContact CG2-CG2 4.47Å; I266-V312 HydrophobicContact CG2-CG1 3.92Å; I266-V312 VanDerWaalsContact O-CG1 3.22Å; I266-V312 WeakPolarHBondContact O-CG1 3.46Å; I266-V312 WeakPolarHBondContact O-CG2 3.49Å
267G93.8Very high92.6Very high19 Ų1930 Ų3020%0.19618%0.176CC..SBendtrans-57.8-56.8-173.100000113.9L240 E241 A243 V313L240-G267 PolarHBondContact O-N 2.97Å; E241-G267 WeakPolarHBondContact O-CA 3.42Å; A243-G267 WeakPolarHBondContact O-CA 3.47Å; A243-G267 PolarHBondContact O-N 2.87Å; G267-V313 PolarHBondContact O-N 2.94Å
268S97.3Very high90.8Very high19 Ų1934.1 Ų34.113%0.13319%0.19CC..EExtended strand (participates in β ladder)trans-150.8155.9173670000112.5A243 R244 V245 V313A243-S268 PolarHBondContact O-N 3.06Å; R244-S268 CarbonylContact C-O 3.6Å; R244-S268 VanDerWaalsContact CA-O 3.31Å; R244-S268 WeakPolarHBondContact CA-O 3.4Å; R244-S268 WeakPolarHBondContact CG-OG 3.28Å; V245-S268 PolarHBondContact N-O 2.76Å; S268-V313 CarbonylContact C-O 3.57Å; S268-V313 WeakPolarHBondContact CA-O 3.31Å; S268-V313 WeakPolarHBondContact CB-O 3.24Å
269F97.9Very high88.7Confident0 Ų039 Ų390%022%0.223CC..EExtended strand (participates in β ladder)trans-131.5154.5168.670.1-88.7000111.7V245 L258 V262 I271 S302 L305 M306 V312 V313 G314 N315V245-F269 CarbonylContact O-C 3.51Å; V245-F269 WeakPolarHBondContact O-CA 3.32Å; L258-F269 HydrophobicContact CD1-CD2 3.71Å; L258-F269 HydrophobicContact CD1-CE2 4.2Å; L258-F269 HydrophobicContact CD1-CG 4.28Å; L258-F269 HydrophobicContact CD2-CB 3.85Å; L258-F269 HydrophobicContact CD2-CD2 4.42Å; L258-F269 HydrophobicContact CD2-CG 4.19Å; V262-F269 HydrophobicContact CG2-CD1 3.8Å; V262-F269 HydrophobicContact CG2-CE1 3.7Å; F269-I271 HydrophobicContact CD2-CD1 4.33Å; F269-I271 HydrophobicContact CD2-CG1 4Å; F269-I271 HydrophobicContact CE2-CD1 3.92Å; F269-I271 HydrophobicContact CE2-CG1 4.07Å; F269-S302 WeakPolarHBondContact CE2-OG 3.41Å; F269-L305 HydrophobicContact CE1-CB 4.19Å; F269-L305 HydrophobicContact CE2-CB 4.29Å; F269-L305 HydrophobicContact CE2-CD1 4.07Å; F269-L305 HydrophobicContact CZ-CB 3.6Å; F269-L305 HydrophobicContact CZ-CD1 4.2Å; F269-M306 HydrophobicContact CE1-CG 4.27Å; F269-M306 HydrophobicContact CZ-CG 4.16Å; F269-V312 HydrophobicContact CD1-CG1 3.69Å; F269-V312 HydrophobicContact CE1-CG1 3.87Å; F269-V313 PolarHBondContact N-O 3.28Å; F269-G314 CarbonylContact O-C 3.54Å; F269-G314 WeakPolarHBondContact O-CA 3.48Å; F269-N315 PolarHBondContact O-N 2.87Å
270T98Very high86.7Confident14 Ų1443.5 Ų43.59%0.08625%0.246CC..EExtended strand (participates in β ladder)trans-129.6131.5171-58.30000108.6V245 C246 L247 N315 V317 F331 F335V245-T270 PolarHBondContact O-N 3.34Å; C246-T270 CarbonylContact C-O 3.51Å; C246-T270 WeakPolarHBondContact CA-O 3.49Å; L247-T270 PolarHBondContact N-O 3.26Å; T270-N315 WeakPolarHBondContact CA-O 3.4Å; T270-N315 HydrophobicContact CG2-CB 4.24Å; T270-V317 HydrophobicContact CG2-CG2 3.89Å; T270-F331 HydrophobicContact CG2-CZ 4.2Å; T270-F335 HydrophobicContact CG2-CZ 4.27Å; T270-F335 WeakPolarHBondContact OG1-CE1 3.24Å
271I97.4Very high84.6Confident0 Ų044 Ų440%024%0.243CC..EExtended strand (participates in β ladder)trans-101.1127.5173.1-57.9170.4000108.5L247 A250 L258 F269 D273 A298 A301 L305 N315 Y316 V317L247-I271 HydrophobicContact CB-CG1 4.34Å; L247-I271 HydrophobicContact CD2-CG1 4.29Å; L247-I271 HydrophobicContact CD2-CG2 4.4Å; L247-I271 WeakPolarHBondContact O-CA 3.45Å; A250-I271 HydrophobicContact CB-CG2 3.87Å; L258-I271 HydrophobicContact CD1-CD1 3.81Å; L258-I271 HydrophobicContact CD1-CG1 3.6Å; F269-I271 HydrophobicContact CD2-CD1 4.33Å; F269-I271 HydrophobicContact CD2-CG1 4Å; F269-I271 HydrophobicContact CE2-CD1 3.92Å; F269-I271 HydrophobicContact CE2-CG1 4.07Å; I271-D273 HydrophobicContact CG2-CB 4.49Å; I271-A298 HydrophobicContact CB-CB 4.06Å; I271-A298 HydrophobicContact CG2-CB 3.72Å; I271-A301 HydrophobicContact CD1-CB 3.78Å; I271-L305 HydrophobicContact CD1-CD1 3.94Å; I271-N315 PolarHBondContact N-O 3.44Å; I271-N315 VanDerWaalsContact N-O 3.16Å; I271-Y316 CarbonylContact O-C 3.57Å; I271-Y316 VanDerWaalsContact O-CA 3.25Å; I271-Y316 WeakPolarHBondContact O-CA 2.99Å; I271-V317 PolarHBondContact O-N 2.71Å
272V95.2Very high82.8Confident0 Ų042 Ų420%023%0.233CC..EExtended strand (participates in β ladder)trans-107.6110.3173.6-178.50000107.1L247 L248 N249 V317 E319 V324 F331L247-V272 PolarHBondContact O-N 3.09Å; L248-V272 HydrophobicContact CD2-CB 3.82Å; L248-V272 HydrophobicContact CD2-CG1 4.21Å; L248-V272 HydrophobicContact CD2-CG2 4.12Å; N249-V272 PolarHBondContact N-O 3.48Å; V272-V317 HydrophobicContact CG1-CB 4.48Å; V272-V317 HydrophobicContact CG2-CB 4.11Å; V272-V317 HydrophobicContact CG2-CG2 4.36Å; V272-E319 VanDerWaalsContact CG1-O 3.28Å; V272-E319 WeakPolarHBondContact CG1-O 2.95Å; V272-V324 HydrophobicContact CG1-CG2 3.79Å; V272-F331 HydrophobicContact CG2-CE1 3.68Å; V272-F331 HydrophobicContact CG2-CZ 4.06Å
273D92.3Very high81.2Confident2 Ų246.2 Ų46.21%0.01126%0.259CS..  trans-153.4126.9175.2-165.7-24.7000108.3A250 I271 D275 K297 A298 V317 E319A250-D273 WeakPolarHBondContact CA-OD2 3.35Å; A250-D273 HydrophobicContact CB-CB 4.11Å; A250-D273 VanDerWaalsContact CB-OD2 3.27Å; A250-D273 WeakPolarHBondContact CB-OD2 3.42Å; A250-D273 PolarHBondContact N-OD2 2.85Å; I271-D273 HydrophobicContact CG2-CB 4.49Å; D273-D275 VanDerWaalsContact OD1-CB 3.25Å; D273-D275 WeakPolarHBondContact OD1-CB 3.29Å; D273-D275 PolarHBondContact OD1-N 2.94Å; D273-K297 IonicContact OD2-NZ 3.64Å; D273-K297 PolarHBondContact OD2-NZ 3.16Å; D273-K297 VanDerWaalsContact OD2-NZ 3.08Å; D273-A298 HydrophobicContact CB-CB 3.89Å; D273-V317 PolarHBondContact N-O 3.36Å; D273-E319 CarbonylContact C-O 3.49Å; D273-E319 PolarHBondContact N-O 3.5Å
274G87Confident80.5Confident29 Ų2948.7 Ų48.730%0.29927%0.272SS..  trans-86.7-12.9177.600000113.5E319G274-E319 PolarHBondContact N-O 3.46Å
275D84.1Confident80.3Confident88 Ų8848.4 Ų48.447%0.47127%0.27SS..  trans-74.6142.6-176.5-70.8-15.6000111.9D273 K297D273-D275 VanDerWaalsContact OD1-CB 3.25Å; D273-D275 WeakPolarHBondContact OD1-CB 3.29Å; D273-D275 PolarHBondContact OD1-N 2.94Å; D275-K297 HydrophobicContact CB-CD 3.72Å; D275-K297 PolarHBondContact O-N 2.88Å; D275-K297 IonicContact OD2-NZ 3.65Å; D275-K297 PolarHBondContact OD2-NZ 3.16Å
276K80.3Confident80Confident127 Ų12756.9 Ų56.955%0.55231%0.306SS*.BIsolated β-bridgetrans-90.4157.3165.8-65.4175.4-175.6171.50109.4E278K276-E278 PolarHBondContact O-N 3.32Å; K276-E278 VanDerWaalsContact O-N 3.1Å
277D66.2Low79.7Confident11 Ų1157 Ų576%0.05931%0.307CS..  trans-70.2108.8176-16435.1000110.4D289 Q295 K297 I300D277-D289 VanDerWaalsContact OD2-O 3.11Å; D277-Q295 PolarHBondContact N-O 2.76Å; D277-K297 HydrophobicContact CB-CG 4.15Å; D277-I300 HydrophobicContact CB-CD1 4.33Å
278E59.3Low79.3Confident121 Ų12156.4 Ų56.457%0.56530%0.299SS*.  trans-101.3141.4167.4-65.6-170.2176.200108.4K276 E280 N281K276-E278 PolarHBondContact O-N 3.32Å; K276-E278 VanDerWaalsContact O-N 3.1Å; E278-E280 PolarHBondContact O-N 2.98Å; E278-N281 PolarHBondContact O-N 2.85Å
279S52.7Low78Confident101 Ų10158.2 Ų58.271%0.70631%0.307SS*.THydrogen-bonded Turntrans-52.6-18-166.850.90000116.5
280E55.8Low76.2Confident155 Ų15564.8 Ų64.872%0.72434%0.336SS*.THydrogen-bonded Turntrans-79.8-32.7177.5-70.4-174.2161.900113.9E278 T283E278-E280 PolarHBondContact O-N 2.98Å; E280-T283 PolarHBondContact O-OG1 2.93Å
281N52Low74.6Confident82 Ų8271.3 Ų71.344%0.43937%0.37SS..G310 helixtrans-77.9-23.3-178.3-83.3-31.1000113.1E278 T283E278-N281 PolarHBondContact O-N 2.85Å; N281-T283 PolarHBondContact O-N 3.44Å
282A57.2Low72.9Confident5 Ų574.9 Ų74.94%0.04139%0.388CS..G310 helixtrans-66.8-20.3-178.600000113.6N284 F290A282-N284 VanDerWaalsContact C-N 3.35Å; A282-N284 PolarHBondContact O-N 3.31Å; A282-F290 HydrophobicContact CB-CD1 3.93Å; A282-F290 HydrophobicContact CB-CE1 3.94Å; A282-F290 HydrophobicContact CB-CG 4.49Å
283T62.9Low71.3Confident88 Ų8879.8 Ų79.854%0.5442%0.422SS..G310 helixtrans-71.5-27.6-172.363.20000113.8E280 N281 F290E280-T283 PolarHBondContact O-OG1 2.93Å; N281-T283 PolarHBondContact O-N 3.44Å; T283-F290 HydrophobicContact CG2-CE1 4.13Å; T283-F290 HydrophobicContact CG2-CZ 4.38Å
284N80.3Confident70.4Confident139 Ų13981.9 Ų81.974%0.74344%0.444SS*.THydrogen-bonded Turntrans-114.9-8.3-172.2-69.6-7.3000114.5A252 A282A252-N284 WeakPolarHBondContact CB-O 3.2Å; A282-N284 VanDerWaalsContact C-N 3.35Å; A282-N284 PolarHBondContact O-N 3.31Å
285N87.2Confident70.2Confident8 Ų883.3 Ų83.34%0.04344%0.443CS..  trans-109.4105.3178.9-170.2-11.7000111.1A250 A252 C255 F287 L288A250-N285 PolarHBondContact O-ND2 3.29Å; A252-N285 HydrophobicContact CB-CB 4.13Å; C255-N285 PolarHBondContact SG-ND2 2.85Å; C255-N285 VanDerWaalsContact SG-ND2 3.4Å; N285-F287 PolarHBondContact O-N 3.15Å; N285-F287 PolarHBondContact OD1-N 3.37Å; N285-F287 VanDerWaalsContact OD1-N 3.13Å; N285-L288 HydrophobicContact CB-CB 4.38Å; N285-L288 HydrophobicContact CB-CD1 3.86Å; N285-L288 HydrophobicContact CB-CG 4Å; N285-L288 PolarHBondContact O-N 3.16Å
286F87Confident70.3Confident182 Ų18280.3 Ų80.380%0.79843%0.429SS*.THydrogen-bonded Turntrans-57.8-19-179.2-174.4-97.7000114.5
287F89.5Confident70.8Confident8 Ų874.8 Ų74.84%0.03540%0.404CS..THydrogen-bonded Turntrans-92.42.1-179.7-62.9-84.1000113.5C255 K259 N285 A301 R304 L305 L308C255-F287 HydrophobicContact CB-CB 4.25Å; C255-F287 HydrophobicContact CB-CD2 3.48Å; C255-F287 VanDerWaalsContact CB-CD2 3.48Å; C255-F287 HydrophobicContact CB-CE2 4.14Å; C255-F287 HydrophobicContact CB-CG 4.08Å; K259-F287 HydrophobicContact CB-CE2 4.21Å; K259-F287 HydrophobicContact CB-CZ 3.77Å; K259-F287 HydrophobicContact CD-CE2 4.33Å; K259-F287 HydrophobicContact CD-CZ 3.81Å; K259-F287 HydrophobicContact CG-CZ 3.89Å; N285-F287 PolarHBondContact O-N 3.15Å; N285-F287 PolarHBondContact OD1-N 3.37Å; N285-F287 VanDerWaalsContact OD1-N 3.13Å; F287-A301 HydrophobicContact CB-CB 4.35Å; F287-R304 HydrophobicContact CB-CB 4.48Å; F287-R304 HydrophobicContact CD1-CB 3.97Å; F287-L305 HydrophobicContact CD1-CD2 3.95Å; F287-L305 HydrophobicContact CD1-CG 3.88Å; F287-L305 HydrophobicContact CE1-CD2 3.54Å; F287-L305 HydrophobicContact CE1-CG 3.98Å; F287-L305 HydrophobicContact CE2-CD2 4.41Å; F287-L305 HydrophobicContact CG-CG 4.46Å; F287-L305 HydrophobicContact CZ-CD2 3.79Å; F287-L308 HydrophobicContact CE1-CD1 3.99Å; F287-L308 HydrophobicContact CZ-CD1 4.25Å
288L86Confident72Confident6 Ų674.2 Ų74.23%0.03140%0.401CS..SBendtrans-115.3139.6174-55.2179000108.7N285 K297 I300 A301N285-L288 HydrophobicContact CB-CB 4.38Å; N285-L288 HydrophobicContact CB-CD1 3.86Å; N285-L288 HydrophobicContact CB-CG 4Å; N285-L288 PolarHBondContact O-N 3.16Å; L288-K297 HydrophobicContact CD1-CD 4.27Å; L288-K297 HydrophobicContact CD1-CG 4.04Å; L288-K297 HydrophobicContact CD2-CB 4.08Å; L288-K297 HydrophobicContact CD2-CG 4.16Å; L288-I300 HydrophobicContact CD2-CB 4.27Å; L288-I300 HydrophobicContact CD2-CG2 4.38Å; L288-A301 HydrophobicContact CD2-CB 4.28Å
289D69.5Low73.6Confident56 Ų5670.8 Ų70.830%0.29939%0.385SS..  trans-114.5142.2-177.1-93.5-31.2000111.4D277 D291 M292 R304D277-D289 VanDerWaalsContact OD2-O 3.11Å; D289-D291 PolarHBondContact O-N 3.41Å; D289-M292 PolarHBondContact O-N 3.35Å; D289-R304 IonicContact OD2-CZ 3.97Å; D289-R304 VanDerWaalsContact OD2-CZ 3.27Å; D289-R304 IonicContact OD2-NE 2.66Å; D289-R304 IonicContact OD2-NH2 3.87Å; D289-R304 PolarHBondContact OD2-NH2 3.33Å
290F60.8Low75.4Confident138 Ų13866.3 Ų66.361%0.60535%0.353SS*.THydrogen-bonded Turntrans-57.9-28.3174.5-61.2-80.7000114.5A282 T283 M292A282-F290 HydrophobicContact CB-CD1 3.93Å; A282-F290 HydrophobicContact CB-CE1 3.94Å; A282-F290 HydrophobicContact CB-CG 4.49Å; T283-F290 HydrophobicContact CG2-CE1 4.13Å; T283-F290 HydrophobicContact CG2-CZ 4.38Å; F290-M292 PolarHBondContact O-N 3.06Å
291D65Low77.2Confident151 Ų15159 Ų5981%0.80732%0.318SS*.THydrogen-bonded Turntrans-86.5-1.8-169.4-69.6-23.1000114.2D289D289-D291 PolarHBondContact O-N 3.41Å
292M60Low79.2Confident76 Ų7655.1 Ų55.137%0.37430%0.298SS..  trans-115.337.3-171.8-63.2-66.4-84.700113.1D289 F290 G294 Q295 I300D289-M292 PolarHBondContact O-N 3.35Å; F290-M292 PolarHBondContact O-N 3.06Å; M292-G294 PolarHBondContact O-N 3.35Å; M292-Q295 PolarHBondContact O-N 3.06Å; M292-I300 HydrophobicContact CB-CD1 4.08Å
293S62.8Low80.9Confident103 Ų10359.1 Ų59.172%0.7232%0.316SS*.THydrogen-bonded Turntrans-49.8126.4-178.664.30000112.4
294G72.8Confident82.2Confident46 Ų4660 Ų6047%0.47431%0.309SS..THydrogen-bonded Turntrans93-4.4173.400000116.6M292M292-G294 PolarHBondContact O-N 3.35Å
295Q81.9Confident83Confident58 Ų5853.4 Ų53.427%0.27127%0.274SS..SBendtrans-81.1154.5169.5-64.6-162.228.700111.8D277 M292 K297 I300D277-Q295 PolarHBondContact N-O 2.76Å; M292-Q295 PolarHBondContact O-N 3.06Å; Q295-K297 PolarHBondContact O-N 3.1Å; Q295-I300 HydrophobicContact CB-CD1 3.98Å; Q295-I300 HydrophobicContact CB-CG1 4.14Å
296P88Confident83.3Confident26 Ų2656 Ų5617%0.16929%0.286CS..BIsolated β-bridgetrans-57.7129.6173.4-27.837.4000112.5A298 K299 I300 N318P296-A298 VanDerWaalsContact C-N 3.29Å; P296-A298 PolarHBondContact O-N 3.02Å; P296-K299 HydrophobicContact CB-CB 4.02Å; P296-K299 WeakPolarHBondContact O-CB 3.37Å; P296-K299 PolarHBondContact O-N 3Å; P296-K299 VanDerWaalsContact O-N 3.12Å; P296-I300 PolarHBondContact O-N 3.38Å; P296-N318 HydrophobicContact CB-CB 4.37Å; P296-N318 WeakPolarHBondContact CB-OD1 3.34Å; P296-N318 HydrophobicContact CG-CB 4.35Å; P296-N318 VanDerWaalsContact CG-OD1 3.29Å; P296-N318 WeakPolarHBondContact CG-OD1 3.45Å
297K89.3Confident83.7Confident10 Ų1053.1 Ų53.14%0.04328%0.277CS..Hα-helixtrans-58.9-42.2177.5-76.3166.459-142.40111.9A250 D273 D275 D277 L288 Q295 K299 I300 A301A250-K297 HydrophobicContact CB-CB 4.12Å; D273-K297 IonicContact OD2-NZ 3.64Å; D273-K297 PolarHBondContact OD2-NZ 3.16Å; D273-K297 VanDerWaalsContact OD2-NZ 3.08Å; D275-K297 HydrophobicContact CB-CD 3.72Å; D275-K297 PolarHBondContact O-N 2.88Å; D275-K297 IonicContact OD2-NZ 3.65Å; D275-K297 PolarHBondContact OD2-NZ 3.16Å; D277-K297 HydrophobicContact CB-CG 4.15Å; L288-K297 HydrophobicContact CD1-CD 4.27Å; L288-K297 HydrophobicContact CD1-CG 4.04Å; L288-K297 HydrophobicContact CD2-CB 4.08Å; L288-K297 HydrophobicContact CD2-CG 4.16Å; Q295-K297 PolarHBondContact O-N 3.1Å; K297-K299 PolarHBondContact O-N 2.97Å; K297-I300 PolarHBondContact O-N 3.44Å; K297-A301 WeakPolarHBondContact O-CB 3.44Å; K297-A301 PolarHBondContact O-N 3.14Å
298A92.3Very high83.9Confident0 Ų056.2 Ų56.20%029%0.293CS..Hα-helixtrans-55.8-39.9177.600000112.4I271 D273 P296 S302I271-A298 HydrophobicContact CB-CB 4.06Å; I271-A298 HydrophobicContact CG2-CB 3.72Å; D273-A298 HydrophobicContact CB-CB 3.89Å; P296-A298 VanDerWaalsContact C-N 3.29Å; P296-A298 PolarHBondContact O-N 3.02Å; A298-S302 WeakPolarHBondContact O-CB 3.3Å; A298-S302 PolarHBondContact O-N 3.05Å
299K92.8Very high84.2Confident49 Ų4956 Ų5621%0.21329%0.292CS..Hα-helixtrans-66.8-53.4178.9-178.7-174172.1-153.10111.2P296 K297 A301 S302 E303 Y316P296-K299 HydrophobicContact CB-CB 4.02Å; P296-K299 WeakPolarHBondContact O-CB 3.37Å; P296-K299 PolarHBondContact O-N 3Å; P296-K299 VanDerWaalsContact O-N 3.12Å; K297-K299 PolarHBondContact O-N 2.97Å; K299-A301 VanDerWaalsContact C-N 3.34Å; K299-A301 PolarHBondContact O-N 3.28Å; K299-S302 PolarHBondContact O-N 3.33Å; K299-E303 WeakPolarHBondContact CE-OE1 3.48Å; K299-E303 WeakPolarHBondContact O-CG 3.31Å; K299-E303 PolarHBondContact O-N 2.85Å; K299-Y316 HydrophobicContact CB-CD1 3.97Å; K299-Y316 HydrophobicContact CB-CD2 3.8Å; K299-Y316 HydrophobicContact CB-CE1 3.95Å; K299-Y316 HydrophobicContact CB-CE2 3.76Å; K299-Y316 HydrophobicContact CB-CG 3.91Å; K299-Y316 HydrophobicContact CD-CE1 4.18Å; K299-Y316 HydrophobicContact CD-CE2 4.38Å; K299-Y316 HydrophobicContact CG-CD1 4Å; K299-Y316 HydrophobicContact CG-CE1 3.61Å; K299-Y316 HydrophobicContact CG-CE2 4.16Å; K299-Y316 HydrophobicContact CG-CG 4.44Å
300I90.5Very high85.1Confident7 Ų758.4 Ų58.44%0.03631%0.311CS..Hα-helixtrans-57.9-50.6-178.3-59.5165.3000109.6D277 L288 M292 Q295 P296 K297 S302 E303 R304D277-I300 HydrophobicContact CB-CD1 4.33Å; L288-I300 HydrophobicContact CD2-CB 4.27Å; L288-I300 HydrophobicContact CD2-CG2 4.38Å; M292-I300 HydrophobicContact CB-CD1 4.08Å; Q295-I300 HydrophobicContact CB-CD1 3.98Å; Q295-I300 HydrophobicContact CB-CG1 4.14Å; P296-I300 PolarHBondContact O-N 3.38Å; K297-I300 PolarHBondContact O-N 3.44Å; I300-S302 VanDerWaalsContact C-N 3.31Å; I300-S302 PolarHBondContact O-N 2.91Å; I300-E303 PolarHBondContact O-N 2.77Å; I300-R304 HydrophobicContact CG2-CG 4.32Å; I300-R304 WeakPolarHBondContact O-CG 3.16Å; I300-R304 PolarHBondContact O-N 3.08Å
301A92.6Very high86.3Confident0 Ų055.2 Ų55.20%030%0.298CS..Hα-helixtrans-60.3-41.1-179.900000112A250 I271 F287 L288 K297 K299 R304 L305A250-A301 HydrophobicContact CB-CB 4.35Å; I271-A301 HydrophobicContact CD1-CB 3.78Å; F287-A301 HydrophobicContact CB-CB 4.35Å; L288-A301 HydrophobicContact CD2-CB 4.28Å; K297-A301 WeakPolarHBondContact O-CB 3.44Å; K297-A301 PolarHBondContact O-N 3.14Å; K299-A301 VanDerWaalsContact C-N 3.34Å; K299-A301 PolarHBondContact O-N 3.28Å; A301-R304 PolarHBondContact O-N 3.19Å; A301-L305 VanDerWaalsContact O-CB 3.31Å; A301-L305 WeakPolarHBondContact O-CB 3.25Å; A301-L305 WeakPolarHBondContact O-CD1 3.48Å; A301-L305 VanDerWaalsContact O-CG 3.27Å; A301-L305 WeakPolarHBondContact O-CG 3.41Å; A301-L305 PolarHBondContact O-N 3.19Å
302S94.1Very high87.7Confident1 Ų148.3 Ų48.31%0.00726%0.261CS..Hα-helixtrans-64.3-46.5178.6-168.50000112.1F269 A298 K299 I300 R304 L305 M306 N315F269-S302 WeakPolarHBondContact CE2-OG 3.41Å; A298-S302 WeakPolarHBondContact O-CB 3.3Å; A298-S302 PolarHBondContact O-N 3.05Å; K299-S302 PolarHBondContact O-N 3.33Å; I300-S302 VanDerWaalsContact C-N 3.31Å; I300-S302 PolarHBondContact O-N 2.91Å; S302-R304 PolarHBondContact O-N 3.12Å; S302-L305 PolarHBondContact O-N 2.99Å; S302-M306 WeakPolarHBondContact O-CG 3.37Å; S302-M306 PolarHBondContact O-N 3.06Å; S302-N315 PolarHBondContact OG-N 3.2Å; S302-N315 PolarHBondContact OG-O 3.24Å
303E92.9Very high89.4Confident89 Ų8948.6 Ų48.642%0.41627%0.267SS..Hα-helixtrans-61.8-42.4176.9-71176.6176.100112K299 I300 M306K299-E303 WeakPolarHBondContact CE-OE1 3.48Å; K299-E303 WeakPolarHBondContact O-CG 3.31Å; K299-E303 PolarHBondContact O-N 2.85Å; I300-E303 PolarHBondContact O-N 2.77Å; E303-M306 HydrophobicContact CG-CE 4.27Å
304R91.9Very high90.9Very high108 Ų10844 Ų4441%0.40824%0.237SC..Hα-helixtrans-66.8-42.7177.3-67.8-57.7-169.5159.4-14.8112.7F287 D289 I300 A301 S302 M307F287-R304 HydrophobicContact CB-CB 4.48Å; F287-R304 HydrophobicContact CD1-CB 3.97Å; D289-R304 IonicContact OD2-CZ 3.97Å; D289-R304 VanDerWaalsContact OD2-CZ 3.27Å; D289-R304 IonicContact OD2-NE 2.66Å; D289-R304 IonicContact OD2-NH2 3.87Å; D289-R304 PolarHBondContact OD2-NH2 3.33Å; I300-R304 HydrophobicContact CG2-CG 4.32Å; I300-R304 WeakPolarHBondContact O-CG 3.16Å; I300-R304 PolarHBondContact O-N 3.08Å; A301-R304 PolarHBondContact O-N 3.19Å; S302-R304 PolarHBondContact O-N 3.12Å; R304-M307 HydrophobicContact CB-CE 4.33Å; R304-M307 HydrophobicContact CG-CE 4.31Å; R304-M307 WeakPolarHBondContact O-CB 3.44Å; R304-M307 PolarHBondContact O-N 3.28Å
305L95Very high92Very high0 Ų045.6 Ų45.60%023%0.234CC..Hα-helixtrans-64-41.5177.4-78.9163.8000111.7L258 K259 V262 F269 I271 F287 A301 S302 M307 L308L258-L305 HydrophobicContact CB-CD1 3.73Å; L258-L305 HydrophobicContact CB-CD2 4.18Å; L258-L305 HydrophobicContact CD1-CD1 3.75Å; L258-L305 HydrophobicContact CG-CD1 4.43Å; K259-L305 HydrophobicContact CB-CD2 4.05Å; V262-L305 WeakPolarHBondContact CG1-O 3.37Å; V262-L305 HydrophobicContact CG2-CB 4.47Å; F269-L305 HydrophobicContact CE1-CB 4.19Å; F269-L305 HydrophobicContact CE2-CB 4.29Å; F269-L305 HydrophobicContact CE2-CD1 4.07Å; F269-L305 HydrophobicContact CZ-CB 3.6Å; F269-L305 HydrophobicContact CZ-CD1 4.2Å; I271-L305 HydrophobicContact CD1-CD1 3.94Å; F287-L305 HydrophobicContact CD1-CD2 3.95Å; F287-L305 HydrophobicContact CD1-CG 3.88Å; F287-L305 HydrophobicContact CE1-CD2 3.54Å; F287-L305 HydrophobicContact CE1-CG 3.98Å; F287-L305 HydrophobicContact CE2-CD2 4.41Å; F287-L305 HydrophobicContact CG-CG 4.46Å; F287-L305 HydrophobicContact CZ-CD2 3.79Å; A301-L305 VanDerWaalsContact O-CB 3.31Å; A301-L305 WeakPolarHBondContact O-CB 3.25Å; A301-L305 WeakPolarHBondContact O-CD1 3.48Å; A301-L305 VanDerWaalsContact O-CG 3.27Å; A301-L305 WeakPolarHBondContact O-CG 3.41Å; A301-L305 PolarHBondContact O-N 3.19Å; S302-L305 PolarHBondContact O-N 2.99Å; L305-M307 PolarHBondContact O-N 3.19Å; L305-L308 HydrophobicContact CD2-CD1 4.15Å; L305-L308 WeakPolarHBondContact O-CB 3.45Å; L305-L308 PolarHBondContact O-N 3.18Å
306M95.1Very high92.7Very high61 Ų6147.8 Ų47.830%0.324%0.241SC..Hα-helixtrans-59.5-27.6177.5-76.3-171.6-69.800113.5F269 S302 E303 L308 N309 G314F269-M306 HydrophobicContact CE1-CG 4.27Å; F269-M306 HydrophobicContact CZ-CG 4.16Å; S302-M306 WeakPolarHBondContact O-CG 3.37Å; S302-M306 PolarHBondContact O-N 3.06Å; E303-M306 HydrophobicContact CG-CE 4.27Å; M306-L308 PolarHBondContact O-N 3.5Å; M306-N309 CarbonylContact O-C 3.47Å; M306-N309 PolarHBondContact O-N 2.88Å; M306-G314 VanDerWaalsContact SD-CA 3.55Å; M306-G314 PolarHBondContact SD-N 3.24Å
307M93.9Very high93Very high122 Ų12247.8 Ų47.860%0.60124%0.24SC*.THydrogen-bonded Turntrans-65.5-24.6176.4-71.2-166.9-77.300113.6R304 L305 N309R304-M307 HydrophobicContact CB-CE 4.33Å; R304-M307 HydrophobicContact CG-CE 4.31Å; R304-M307 WeakPolarHBondContact O-CB 3.44Å; R304-M307 PolarHBondContact O-N 3.28Å; L305-M307 PolarHBondContact O-N 3.19Å; M307-N309 VanDerWaalsContact C-N 3.33Å
308L94.1Very high93.1Very high73 Ų7350.9 Ų50.938%0.38226%0.257SS..THydrogen-bonded Turntrans-70.7-31.6-180-60.8176.5000112.3K259 V262 L263 F287 L305 M306K259-L308 HydrophobicContact CB-CD1 4.34Å; K259-L308 HydrophobicContact CG-CD1 3.68Å; V262-L308 HydrophobicContact CG1-CB 4.01Å; L263-L308 HydrophobicContact CD2-CB 4.28Å; F287-L308 HydrophobicContact CE1-CD1 3.99Å; F287-L308 HydrophobicContact CZ-CD1 4.25Å; L305-L308 HydrophobicContact CD2-CD1 4.15Å; L305-L308 WeakPolarHBondContact O-CB 3.45Å; L305-L308 PolarHBondContact O-N 3.18Å; M306-L308 PolarHBondContact O-N 3.5Å
309N92.8Very high93Very high1 Ų155.2 Ų55.21%0.00528%0.277CS..  trans-150106.5177.6-169.4-9.5000111.4R224 Y225 V262 G265 M306 M307 E311 V312R224-N309 PolarHBondContact NH1-OD1 3.19Å; Y225-N309 PolarHBondContact OH-ND2 3.11Å; V262-N309 HydrophobicContact CG1-CB 3.8Å; V262-N309 WeakPolarHBondContact O-CB 3.46Å; V262-N309 PolarHBondContact O-ND2 2.96Å; G265-N309 WeakPolarHBondContact CA-ND2 3.33Å; M306-N309 CarbonylContact O-C 3.47Å; M306-N309 PolarHBondContact O-N 2.88Å; M307-N309 VanDerWaalsContact C-N 3.33Å; N309-E311 PolarHBondContact O-N 3.4Å; N309-E311 PolarHBondContact OD1-N 2.71Å; N309-V312 HydrophobicContact CB-CG2 3.84Å; N309-V312 PolarHBondContact O-N 3.29Å
310P87.8Confident92.8Very high107 Ų10754.2 Ų54.270%0.69528%0.276SS*.THydrogen-bonded Turntrans-70-6-175.629.2-36.6000114.5
311E87.7Confident92.6Very high72 Ų7253.9 Ų53.934%0.33628%0.275SS..THydrogen-bonded Turntrans-84.6-16.9174-63.1-177.8155.300112.5R224 Y225 N309R224-E311 IonicContact NH1-OE1 3.76Å; R224-E311 IonicContact NH1-OE2 2.84Å; Y225-E311 PolarHBondContact OH-OE2 3.09Å; N309-E311 PolarHBondContact O-N 3.4Å; N309-E311 PolarHBondContact OD1-N 2.71Å
312V93.9Very high92Very high6 Ų656.4 Ų56.44%0.03629%0.287CS..SBendtrans-89.4131.2-178.5-1800000109.9V262 I266 F269 N309V262-V312 HydrophobicContact CG1-CB 4.25Å; V262-V312 HydrophobicContact CG1-CG1 4.43Å; V262-V312 HydrophobicContact CG1-CG2 4.1Å; V262-V312 HydrophobicContact CG2-CG1 4.14Å; I266-V312 HydrophobicContact CG2-CG1 3.92Å; I266-V312 VanDerWaalsContact O-CG1 3.22Å; I266-V312 WeakPolarHBondContact O-CG1 3.46Å; I266-V312 WeakPolarHBondContact O-CG2 3.49Å; F269-V312 HydrophobicContact CD1-CG1 3.69Å; F269-V312 HydrophobicContact CE1-CG1 3.87Å; N309-V312 HydrophobicContact CB-CG2 3.84Å; N309-V312 PolarHBondContact O-N 3.29Å
313V94.9Very high91.4Very high81 Ų8160.6 Ų60.649%0.49131%0.306SS..EExtended strand (participates in β ladder)trans-92.9115.9176.9-177.40000109.9G267 S268 F269G267-V313 PolarHBondContact O-N 2.94Å; S268-V313 CarbonylContact C-O 3.57Å; S268-V313 WeakPolarHBondContact CA-O 3.31Å; S268-V313 WeakPolarHBondContact CB-O 3.24Å; F269-V313 PolarHBondContact N-O 3.28Å
314G95Very high91Very high8 Ų856.5 Ų56.58%0.08229%0.287CS..EExtended strand (participates in β ladder)trans-99.7135.917300000111.8F269 M306F269-G314 CarbonylContact O-C 3.54Å; F269-G314 WeakPolarHBondContact O-CA 3.48Å; M306-G314 VanDerWaalsContact SD-CA 3.55Å; M306-G314 PolarHBondContact SD-N 3.24Å
315N96.4Very high90.6Very high79 Ų7956 Ų5642%0.42229%0.288SS..EExtended strand (participates in β ladder)trans-125.4171.5169-59.9-67.3000109.9F269 T270 I271 S302F269-N315 PolarHBondContact O-N 2.87Å; T270-N315 WeakPolarHBondContact CA-O 3.4Å; T270-N315 HydrophobicContact CG2-CB 4.24Å; I271-N315 PolarHBondContact N-O 3.44Å; I271-N315 VanDerWaalsContact N-O 3.16Å; S302-N315 PolarHBondContact OG-N 3.2Å; S302-N315 PolarHBondContact OG-O 3.24Å
316Y95.4Very high89.6Confident104 Ų10459 Ų5941%0.40831%0.313SS..EExtended strand (participates in β ladder)trans-143.7154.8173.171.1-84.5000111.1I271 K299I271-Y316 CarbonylContact O-C 3.57Å; I271-Y316 VanDerWaalsContact O-CA 3.25Å; I271-Y316 WeakPolarHBondContact O-CA 2.99Å; K299-Y316 HydrophobicContact CB-CD1 3.97Å; K299-Y316 HydrophobicContact CB-CD2 3.8Å; K299-Y316 HydrophobicContact CB-CE1 3.95Å; K299-Y316 HydrophobicContact CB-CE2 3.76Å; K299-Y316 HydrophobicContact CB-CG 3.91Å; K299-Y316 HydrophobicContact CD-CE1 4.18Å; K299-Y316 HydrophobicContact CD-CE2 4.38Å; K299-Y316 HydrophobicContact CG-CD1 4Å; K299-Y316 HydrophobicContact CG-CE1 3.61Å; K299-Y316 HydrophobicContact CG-CE2 4.16Å; K299-Y316 HydrophobicContact CG-CG 4.44Å
317V94.5Very high88.9Confident26 Ų2665.3 Ų65.316%0.15834%0.335CS..EExtended strand (participates in β ladder)trans-126.1125.9170.9178.50000107T270 I271 V272 D273 E319 F331T270-V317 HydrophobicContact CG2-CG2 3.89Å; I271-V317 PolarHBondContact O-N 2.71Å; V272-V317 HydrophobicContact CG1-CB 4.48Å; V272-V317 HydrophobicContact CG2-CB 4.11Å; V272-V317 HydrophobicContact CG2-CG2 4.36Å; D273-V317 PolarHBondContact N-O 3.36Å; V317-E319 VanDerWaalsContact C-N 3.32Å; V317-E319 HydrophobicContact CG1-CB 3.91Å; V317-E319 HydrophobicContact CG1-CG 4.05Å; V317-E319 PolarHBondContact O-N 2.88Å; V317-F331 HydrophobicContact CG2-CE2 3.97Å; V317-F331 HydrophobicContact CG2-CZ 3.69Å
318N92.3Very high88.6Confident75 Ų7563.3 Ų63.340%0.40133%0.327SS..  trans-96.262.7179.1-178.275.4000110P296P296-N318 HydrophobicContact CB-CB 4.37Å; P296-N318 WeakPolarHBondContact CB-OD1 3.34Å; P296-N318 HydrophobicContact CG-CB 4.35Å; P296-N318 VanDerWaalsContact CG-OD1 3.29Å; P296-N318 WeakPolarHBondContact CG-OD1 3.45Å
319E89.9Confident87.9Confident90 Ų9063.3 Ų63.342%0.42133%0.331SS..SBendtrans-141.4145.9175.6-66.5168.7-132.400106V272 D273 G274 V317 E323 V324V272-E319 VanDerWaalsContact CG1-O 3.28Å; V272-E319 WeakPolarHBondContact CG1-O 2.95Å; D273-E319 CarbonylContact C-O 3.49Å; D273-E319 PolarHBondContact N-O 3.5Å; G274-E319 PolarHBondContact N-O 3.46Å; V317-E319 VanDerWaalsContact C-N 3.32Å; V317-E319 HydrophobicContact CG1-CB 3.91Å; V317-E319 HydrophobicContact CG1-CG 4.05Å; V317-E319 PolarHBondContact O-N 2.88Å; E319-E323 HydrophobicContact CB-CB 4.46Å; E319-V324 HydrophobicContact CB-CG2 3.9Å
320S87.2Confident87.8Confident28 Ų2869.4 Ų69.420%0.19636%0.359CS..  trans-64.4148.7172.8610000110.1E322 E323 V324S320-E322 WeakPolarHBondContact CB-OE2 3.24Å; S320-E322 PolarHBondContact O-N 3.25Å; S320-E323 PolarHBondContact N-OE2 2.96Å; S320-E323 PolarHBondContact O-N 3.33Å; S320-E323 WeakPolarHBondContact OG-CB 3.41Å; S320-E323 WeakPolarHBondContact OG-CG 3.39Å; S320-E323 PolarHBondContact OG-N 3.39Å; S320-E323 PolarHBondContact OG-OE2 3.34Å; S320-V324 PolarHBondContact O-N 2.99Å
321P86.8Confident88Confident1 Ų166.1 Ų66.11%0.00633%0.334CS..Hα-helixtrans-51-38.2172.5-27.735.6000112.8L248 N249 V324 F325 L343L248-P321 HydrophobicContact CB-CB 4.3Å; L248-P321 HydrophobicContact CB-CG 3.96Å; L248-P321 HydrophobicContact CD1-CB 4.44Å; L248-P321 HydrophobicContact CD2-CB 4.07Å; L248-P321 HydrophobicContact CD2-CG 4.23Å; N249-P321 VanDerWaalsContact OD1-CD 3.31Å; N249-P321 WeakPolarHBondContact OD1-CD 3.25Å; N249-P321 WeakPolarHBondContact OD1-CG 3.43Å; P321-V324 PolarHBondContact O-N 3.15Å; P321-F325 VanDerWaalsContact C-CD2 3.48Å; P321-F325 HydrophobicContact CB-CD2 4.37Å; P321-F325 HydrophobicContact CB-CE2 3.85Å; P321-F325 WeakPolarHBondContact O-CD2 3.29Å; P321-F325 VanDerWaalsContact O-CG 3.24Å; P321-F325 WeakPolarHBondContact O-CG 3.39Å; P321-F325 PolarHBondContact O-N 2.97Å; P321-L343 HydrophobicContact CB-CD2 3.95Å; P321-L343 HydrophobicContact CG-CD2 4.1Å
322E80Confident88.2Confident53 Ų5364.1 Ų64.125%0.24832%0.324CS..Hα-helixtrans-58.6-48.7177.7-65.972.3-159.300112.1S320 V324 F325 A326S320-E322 WeakPolarHBondContact CB-OE2 3.24Å; S320-E322 PolarHBondContact O-N 3.25Å; E322-V324 VanDerWaalsContact C-N 3.32Å; E322-V324 PolarHBondContact O-N 3.07Å; E322-F325 PolarHBondContact O-N 3.16Å; E322-A326 WeakPolarHBondContact O-CB 3.38Å; E322-A326 PolarHBondContact O-N 2.91Å
323E81.2Confident88.2Confident89 Ų8969.5 Ų69.542%0.41635%0.353SS..Hα-helixtrans-60.8-41.9175.3-74.7163.9152.700111.4E319 S320 A326 Y327E319-E323 HydrophobicContact CB-CB 4.46Å; S320-E323 PolarHBondContact N-OE2 2.96Å; S320-E323 PolarHBondContact O-N 3.33Å; S320-E323 WeakPolarHBondContact OG-CB 3.41Å; S320-E323 WeakPolarHBondContact OG-CG 3.39Å; S320-E323 PolarHBondContact OG-N 3.39Å; S320-E323 PolarHBondContact OG-OE2 3.34Å; E323-A326 PolarHBondContact O-N 3.19Å; E323-Y327 HydrophobicContact CB-CD2 4.27Å; E323-Y327 HydrophobicContact CG-CE2 4.49Å; E323-Y327 WeakPolarHBondContact O-CB 3.08Å; E323-Y327 VanDerWaalsContact O-CD2 3.24Å; E323-Y327 WeakPolarHBondContact O-CD2 3.37Å; E323-Y327 PolarHBondContact O-N 3.48Å
324V85.8Confident88.2Confident3 Ų370.2 Ų70.22%0.01835%0.354CS..Hα-helixtrans-66.5-40.4178.4-177.60000111V272 E319 S320 P321 E322 A326 N328 F331 F332V272-V324 HydrophobicContact CG1-CG2 3.79Å; E319-V324 HydrophobicContact CB-CG2 3.9Å; S320-V324 PolarHBondContact O-N 2.99Å; P321-V324 PolarHBondContact O-N 3.15Å; E322-V324 VanDerWaalsContact C-N 3.32Å; E322-V324 PolarHBondContact O-N 3.07Å; V324-A326 VanDerWaalsContact C-N 3.34Å; V324-N328 CarbonylContact O-C 3.48Å; V324-N328 WeakPolarHBondContact O-CA 3.38Å; V324-N328 PolarHBondContact O-N 3.19Å; V324-F331 HydrophobicContact CG1-CB 3.85Å; V324-F331 HydrophobicContact CG1-CD1 3.62Å; V324-F331 HydrophobicContact CG1-CE1 4.4Å; V324-F331 HydrophobicContact CG1-CG 3.89Å; V324-F332 HydrophobicContact CB-CE2 4.43Å; V324-F332 HydrophobicContact CB-CZ 4.15Å; V324-F332 HydrophobicContact CG1-CE1 4.4Å; V324-F332 HydrophobicContact CG1-CE2 3.7Å; V324-F332 HydrophobicContact CG1-CZ 3.56Å
325F82.7Confident88.2Confident96 Ų9671.3 Ų71.342%0.42136%0.356SS..Hα-helixtrans-61.6-42174-66.5-49.8000112L248 P321 E322 F332L248-F325 HydrophobicContact CD1-CE1 4.39Å; L248-F325 HydrophobicContact CD1-CE2 4.35Å; L248-F325 HydrophobicContact CD1-CZ 3.59Å; P321-F325 VanDerWaalsContact C-CD2 3.48Å; P321-F325 HydrophobicContact CB-CD2 4.37Å; P321-F325 HydrophobicContact CB-CE2 3.85Å; P321-F325 WeakPolarHBondContact O-CD2 3.29Å; P321-F325 VanDerWaalsContact O-CG 3.24Å; P321-F325 WeakPolarHBondContact O-CG 3.39Å; P321-F325 PolarHBondContact O-N 2.97Å; E322-F325 PolarHBondContact O-N 3.16Å; F325-F332 HydrophobicContact CD1-CD2 4.18Å; F325-F332 AromaticContact CD1-CE2 3.35Å; F325-F332 HydrophobicContact CD1-CE2 3.35Å; F325-F332 AromaticContact CD1-CZ 3.93Å; F325-F332 HydrophobicContact CD1-CZ 3.93Å; F325-F332 HydrophobicContact CE1-CD2 4.11Å; F325-F332 AromaticContact CE1-CE2 3.37Å; F325-F332 HydrophobicContact CE1-CE2 3.37Å; F325-F332 AromaticContact CE1-CZ 3.61Å; F325-F332 HydrophobicContact CE1-CZ 3.61Å; F325-F332 HydrophobicContact CG-CE2 4.37Å; F325-F332 HydrophobicContact CZ-CE2 4.41Å; F325-F332 HydrophobicContact CZ-CZ 4.26Å
326A74.3Confident88.2Confident64 Ų6471.1 Ų71.153%0.52936%0.361SS..Hα-helixtrans-73.5-45.7-176.500000112.9E322 E323 V324E322-A326 WeakPolarHBondContact O-CB 3.38Å; E322-A326 PolarHBondContact O-N 2.91Å; E323-A326 PolarHBondContact O-N 3.19Å; V324-A326 VanDerWaalsContact C-N 3.34Å
327Y80.5Confident88.3Confident194 Ų19470.1 Ų70.176%0.76137%0.366SS*.Hα-helixtrans-101.6-24.1-169.7-61.5-67.5000114.1E323E323-Y327 HydrophobicContact CB-CD2 4.27Å; E323-Y327 HydrophobicContact CG-CE2 4.49Å; E323-Y327 WeakPolarHBondContact O-CB 3.08Å; E323-Y327 VanDerWaalsContact O-CD2 3.24Å; E323-Y327 WeakPolarHBondContact O-CD2 3.37Å; E323-Y327 PolarHBondContact O-N 3.48Å
328N87.2Confident88.4Confident80 Ų8071.8 Ų71.843%0.42838%0.376SS..  trans-149.463.1-176.6-168.811000113.9V324 H330 F331V324-N328 CarbonylContact O-C 3.48Å; V324-N328 WeakPolarHBondContact O-CA 3.38Å; V324-N328 PolarHBondContact O-N 3.19Å; N328-H330 PolarHBondContact O-N 3.47Å; N328-H330 VanDerWaalsContact O-N 3.16Å; N328-F331 WeakPolarHBondContact O-CB 3.4Å; N328-F331 PolarHBondContact O-N 3.32Å
329P80.5Confident88.5Confident72 Ų7270 Ų7047%0.46837%0.366SS..G310 helixtrans-61.7-27.9-178.424.5-34.5000113.6F331 F332P329-F331 PolarHBondContact O-N 2.76Å; P329-F332 WeakPolarHBondContact O-CD2 3.16Å; P329-F332 PolarHBondContact O-N 3.31Å
330H89.4Confident88.7Confident130 Ų13067.8 Ų67.860%0.60237%0.367SS*.G310 helixtrans-66.8-11.7175.1-71.3-59.2000113.9N328 F332 D333N328-H330 PolarHBondContact O-N 3.47Å; N328-H330 VanDerWaalsContact O-N 3.16Å; H330-F332 PolarHBondContact O-N 3.05Å; H330-D333 IonicContact CG-OD2 3.69Å; H330-D333 IonicContact ND1-OD2 3.31Å; H330-D333 PolarHBondContact ND1-OD2 2.96Å; H330-D333 WeakPolarHBondContact O-CB 3.4Å; H330-D333 PolarHBondContact O-N 2.67Å
331F92Very high88.8Confident37 Ų3767.2 Ų67.216%0.16236%0.362CS..G310 helixtrans-52.1-40.5171.2174.8-102000111.6T270 V272 V317 V324 N328 P329 D333 N334 F335T270-F331 HydrophobicContact CG2-CZ 4.2Å; V272-F331 HydrophobicContact CG2-CE1 3.68Å; V272-F331 HydrophobicContact CG2-CZ 4.06Å; V317-F331 HydrophobicContact CG2-CE2 3.97Å; V317-F331 HydrophobicContact CG2-CZ 3.69Å; V324-F331 HydrophobicContact CG1-CB 3.85Å; V324-F331 HydrophobicContact CG1-CD1 3.62Å; V324-F331 HydrophobicContact CG1-CE1 4.4Å; V324-F331 HydrophobicContact CG1-CG 3.89Å; N328-F331 WeakPolarHBondContact O-CB 3.4Å; N328-F331 PolarHBondContact O-N 3.32Å; P329-F331 PolarHBondContact O-N 2.76Å; F331-D333 VanDerWaalsContact C-N 3.29Å; F331-D333 PolarHBondContact O-N 3.12Å; F331-N334 PolarHBondContact O-N 3.22Å; F331-N334 PolarHBondContact O-ND2 2.83Å; F331-F335 AromaticContact CD1-CE2 3.87Å; F331-F335 HydrophobicContact CD1-CE2 3.87Å; F331-F335 AromaticContact CE1-CE2 3.44Å; F331-F335 HydrophobicContact CE1-CE2 3.44Å; F331-F335 VanDerWaalsContact CE1-CE2 3.44Å; F331-F335 AromaticContact CE1-CZ 3.81Å; F331-F335 HydrophobicContact CE1-CZ 3.81Å; F331-F335 HydrophobicContact CE2-CE2 4.24Å; F331-F335 HydrophobicContact CE2-CZ 4.29Å; F331-F335 HydrophobicContact CG-CE2 4.43Å; F331-F335 AromaticContact CZ-CE2 3.65Å; F331-F335 HydrophobicContact CZ-CE2 3.65Å; F331-F335 AromaticContact CZ-CZ 3.61Å; F331-F335 HydrophobicContact CZ-CZ 3.61Å; F331-F335 WeakPolarHBondContact O-CE2 3.39Å
332F92.3Very high88.7Confident31 Ų3173.9 Ų73.914%0.13640%0.398CS..G310 helixtrans-70.6-20.4-175.9-60.7-65.6000114.1L248 V324 F325 P329 H330 N334 F335 V338L248-F332 HydrophobicContact CD2-CE1 3.65Å; L248-F332 HydrophobicContact CD2-CZ 3.98Å; V324-F332 HydrophobicContact CB-CE2 4.43Å; V324-F332 HydrophobicContact CB-CZ 4.15Å; V324-F332 HydrophobicContact CG1-CE1 4.4Å; V324-F332 HydrophobicContact CG1-CE2 3.7Å; V324-F332 HydrophobicContact CG1-CZ 3.56Å; F325-F332 HydrophobicContact CD1-CD2 4.18Å; F325-F332 AromaticContact CD1-CE2 3.35Å; F325-F332 HydrophobicContact CD1-CE2 3.35Å; F325-F332 AromaticContact CD1-CZ 3.93Å; F325-F332 HydrophobicContact CD1-CZ 3.93Å; F325-F332 HydrophobicContact CE1-CD2 4.11Å; F325-F332 AromaticContact CE1-CE2 3.37Å; F325-F332 HydrophobicContact CE1-CE2 3.37Å; F325-F332 AromaticContact CE1-CZ 3.61Å; F325-F332 HydrophobicContact CE1-CZ 3.61Å; F325-F332 HydrophobicContact CG-CE2 4.37Å; F325-F332 HydrophobicContact CZ-CE2 4.41Å; F325-F332 HydrophobicContact CZ-CZ 4.26Å; P329-F332 WeakPolarHBondContact O-CD2 3.16Å; P329-F332 PolarHBondContact O-N 3.31Å; H330-F332 PolarHBondContact O-N 3.05Å; F332-N334 PolarHBondContact O-N 2.96Å; F332-F335 PolarHBondContact O-N 3.42Å; F332-F335 VanDerWaalsContact O-N 3.15Å; F332-V338 HydrophobicContact CB-CG2 4.35Å; F332-V338 HydrophobicContact CD1-CG1 4.27Å; F332-V338 HydrophobicContact CD1-CG2 3.95Å; F332-V338 HydrophobicContact CE1-CG1 4.44Å
333D94Very high88.6Confident119 Ų11974.8 Ų74.864%0.63640%0.404SS*.G310 helixtrans-62.4-17.6177.6-65.2-26.3000112.7H330 F331 F335H330-D333 IonicContact CG-OD2 3.69Å; H330-D333 IonicContact ND1-OD2 3.31Å; H330-D333 PolarHBondContact ND1-OD2 2.96Å; H330-D333 WeakPolarHBondContact O-CB 3.4Å; H330-D333 PolarHBondContact O-N 2.67Å; F331-D333 VanDerWaalsContact C-N 3.29Å; F331-D333 PolarHBondContact O-N 3.12Å; D333-F335 VanDerWaalsContact C-N 3.3Å; D333-F335 PolarHBondContact O-N 3.3Å
334N94Very high88Confident96 Ų9674.3 Ų74.351%0.51341%0.411SS..G310 helixtrans-81-7.3-179.4-62.8-63.9000114.1R244 F331 F332R244-N334 WeakPolarHBondContact CD-O 3.31Å; F331-N334 PolarHBondContact O-N 3.22Å; F331-N334 PolarHBondContact O-ND2 2.83Å; F332-N334 PolarHBondContact O-N 2.96Å
335F96.7Very high86.8Confident31 Ų3180.1 Ų80.114%0.13644%0.438CS..  trans-110.5146.3-173-58.1-83.6000112.2R244 C246 T270 F331 F332 D333 V338R244-F335 HydrophobicContact CB-CD1 4.19Å; R244-F335 CarbonylContact O-C 3.39Å; R244-F335 WeakPolarHBondContact O-CA 3.34Å; C246-F335 HydrophobicContact CB-CB 4.22Å; C246-F335 HydrophobicContact CB-CD1 3.63Å; C246-F335 HydrophobicContact CB-CD2 3.79Å; C246-F335 HydrophobicContact CB-CE1 3.83Å; C246-F335 HydrophobicContact CB-CE2 3.99Å; C246-F335 HydrophobicContact CB-CG 3.59Å; C246-F335 HydrophobicContact CB-CZ 4Å; T270-F335 HydrophobicContact CG2-CZ 4.27Å; T270-F335 WeakPolarHBondContact OG1-CE1 3.24Å; F331-F335 AromaticContact CD1-CE2 3.87Å; F331-F335 HydrophobicContact CD1-CE2 3.87Å; F331-F335 AromaticContact CE1-CE2 3.44Å; F331-F335 HydrophobicContact CE1-CE2 3.44Å; F331-F335 VanDerWaalsContact CE1-CE2 3.44Å; F331-F335 AromaticContact CE1-CZ 3.81Å; F331-F335 HydrophobicContact CE1-CZ 3.81Å; F331-F335 HydrophobicContact CE2-CE2 4.24Å; F331-F335 HydrophobicContact CE2-CZ 4.29Å; F331-F335 HydrophobicContact CG-CE2 4.43Å; F331-F335 AromaticContact CZ-CE2 3.65Å; F331-F335 HydrophobicContact CZ-CE2 3.65Å; F331-F335 AromaticContact CZ-CZ 3.61Å; F331-F335 HydrophobicContact CZ-CZ 3.61Å; F331-F335 WeakPolarHBondContact O-CE2 3.39Å; F332-F335 PolarHBondContact O-N 3.42Å; F332-F335 VanDerWaalsContact O-N 3.15Å; D333-F335 VanDerWaalsContact C-N 3.3Å; D333-F335 PolarHBondContact O-N 3.3Å; F335-V338 HydrophobicContact CB-CG2 4.39Å
336S96.3Very high85.5Confident75 Ų7577.3 Ų77.352%0.52443%0.43SS..SBendtrans-74.3-35.3172.4-50.50000112.1R244R244-S336 PolarHBondContact N-OG 3.02Å; R244-S336 VanDerWaalsContact N-OG 3.09Å; R244-S336 WeakPolarHBondContact O-CB 3.11Å; R244-S336 PolarHBondContact O-N 3.23Å
337V97.1Very high84.4Confident82 Ų8276.2 Ų76.250%0.49741%0.412SS..EExtended strand (participates in β ladder)trans-148.6140.6179.3179.40000108.8V245 C246 I339V245-V337 WeakPolarHBondContact CA-O 3.46Å; V245-V337 HydrophobicContact CG2-CB 4.39Å; C246-V337 PolarHBondContact N-O 3.04Å; V337-I339 HydrophobicContact CG1-CG1 4.38Å
338V95.5Very high83.2Confident61 Ų6173.2 Ų73.237%0.3741%0.405SS..EExtended strand (participates in β ladder)trans-111.9128.3170.2-175.80000108.4C246 L248 F332 F335C246-V338 HydrophobicContact CB-CB 4.42Å; C246-V338 HydrophobicContact CB-CG1 4.18Å; C246-V338 HydrophobicContact CB-CG2 4.09Å; C246-V338 CarbonylContact O-C 3.58Å; C246-V338 WeakPolarHBondContact O-CA 3Å; L248-V338 HydrophobicContact CD1-CG1 3.8Å; L248-V338 HydrophobicContact CG-CG1 3.89Å; F332-V338 HydrophobicContact CB-CG2 4.35Å; F332-V338 HydrophobicContact CD1-CG1 4.27Å; F332-V338 HydrophobicContact CD1-CG2 3.95Å; F332-V338 HydrophobicContact CE1-CG1 4.44Å; F335-V338 HydrophobicContact CB-CG2 4.39Å
339I96.2Very high82Confident39 Ų3972.3 Ų72.320%0.241%0.408CS..EExtended strand (participates in β ladder)trans-105.6113.3177-56.7176.5000107.1V245 C246 L247 L248 L261 V337 T341V245-I339 HydrophobicContact CG1-CD1 3.74Å; V245-I339 HydrophobicContact CG1-CG1 4.03Å; C246-I339 PolarHBondContact O-N 3.18Å; L247-I339 HydrophobicContact CD1-CB 4.03Å; L247-I339 HydrophobicContact CD1-CG2 3.88Å; L248-I339 PolarHBondContact N-O 3.48Å; L261-I339 HydrophobicContact CD1-CD1 3.87Å; V337-I339 HydrophobicContact CG1-CG1 4.38Å; I339-T341 HydrophobicContact CG2-CG2 4.09Å
340G92.5Very high81.4Confident43 Ų4369 Ų6944%0.44339%0.387SS..EExtended strand (participates in β ladder)trans-91.5125.3172.800000111.1
341T89.9Confident80.5Confident15 Ų1569.4 Ų69.49%0.09239%0.387CS..  trans-127.9135.9172.763.90000111.1L247 L248 N249 T251 I339 L343L247-T341 HydrophobicContact CD1-CG2 3.99Å; L248-T341 PolarHBondContact O-N 2.85Å; L248-T341 PolarHBondContact O-OG1 3.2Å; N249-T341 WeakPolarHBondContact CB-O 3.44Å; N249-T341 PolarHBondContact ND2-O 2.84Å; N249-T341 PolarHBondContact O-OG1 3.31Å; N249-T341 VanDerWaalsContact O-OG1 3.1Å; T251-T341 WeakPolarHBondContact CG2-OG1 3.35Å; T251-T341 VanDerWaalsContact OG1-CB 3.25Å; T251-T341 WeakPolarHBondContact OG1-CB 3.25Å; T251-T341 PolarHBondContact OG1-OG1 2.83Å; I339-T341 HydrophobicContact CG2-CG2 4.09Å; T341-L343 PolarHBondContact O-N 3.17Å; T341-L343 VanDerWaalsContact O-N 3.07Å
342N83.8Confident79.9Confident141 Ų14168 Ų6875%0.75438%0.383SS*.SBendtrans46.939.1-176.9-158.951.5000113.2N249 T251 S344N249-N342 PolarHBondContact ND2-O 2.81Å; T251-N342 HydrophobicContact CG2-CB 3.75Å; N342-S344 PolarHBondContact O-N 3.42Å
343L79.6Confident79.5Confident73 Ų7367.8 Ų67.838%0.38238%0.383SS..  trans-73.7121.6171.7-66.7174.6000106.9L248 P321 T341L248-L343 HydrophobicContact CB-CD2 3.91Å; L248-L343 HydrophobicContact CD1-CD1 4Å; L248-L343 HydrophobicContact CD1-CD2 4.09Å; P321-L343 HydrophobicContact CB-CD2 3.95Å; P321-L343 HydrophobicContact CG-CD2 4.1Å; T341-L343 PolarHBondContact O-N 3.17Å; T341-L343 VanDerWaalsContact O-N 3.07Å
344S67.2Low79.4Confident79 Ų7962.1 Ų62.155%0.55235%0.353SS*.  trans-66.6136.4161.440.40000108.4N342 S346N342-S344 PolarHBondContact O-N 3.42Å; S344-S346 VanDerWaalsContact C-N 3.33Å; S344-S346 PolarHBondContact O-N 3.07Å
345E60.8Low79.3Confident125 Ų12558.8 Ų58.858%0.58433%0.333SS*.  trans-61.6105.3156.3-71.6-173.4158.400105.5Y347 F350E345-Y347 PolarHBondContact O-N 3.24Å; E345-F350 HydrophobicContact CB-CE2 4.04Å; E345-F350 HydrophobicContact CB-CZ 4.37Å; E345-F350 WeakPolarHBondContact OE2-CZ 3.49Å
346S54.8Low79.1Confident36 Ų3658.6 Ų58.625%0.25233%0.334SS..  trans-61.8133.9-177.973.80000108.4S344 E348 A349S344-S346 VanDerWaalsContact C-N 3.33Å; S344-S346 PolarHBondContact O-N 3.07Å; S346-E348 PolarHBondContact O-N 3.36Å; S346-E348 VanDerWaalsContact O-N 3.16Å; S346-A349 VanDerWaalsContact O-CB 3.26Å; S346-A349 WeakPolarHBondContact O-CB 3.26Å; S346-A349 PolarHBondContact O-N 3.14Å; S346-A349 PolarHBondContact OG-N 2.96Å
347Y52.1Low78.8Confident42 Ų4257.9 Ų57.917%0.16532%0.324CS..Hα-helixtrans-53.3-32170.7166.5-87.2000111.4E345 A349 F350 K351 V394 S404 S406E345-Y347 PolarHBondContact O-N 3.24Å; Y347-A349 PolarHBondContact O-N 3.26Å; Y347-F350 PolarHBondContact O-N 2.84Å; Y347-K351 PolarHBondContact O-N 3.3Å; Y347-K351 VanDerWaalsContact O-N 3.08Å; Y347-V394 HydrophobicContact CD2-CG1 4.09Å; Y347-V394 HydrophobicContact CE2-CG1 4.26Å; Y347-S404 PolarHBondContact OH-O 3.22Å; Y347-S406 WeakPolarHBondContact OH-CA 3.33Å; Y347-S406 WeakPolarHBondContact OH-CB 3.49Å; Y347-S406 PolarHBondContact OH-N 3.16Å
348E55.3Low78.5Confident131 Ų13154 Ų5461%0.61230%0.3SS*.Hα-helixtrans-58.3-32.4172.8-65.2-170.2149.100113.3S346 F350 K351S346-E348 PolarHBondContact O-N 3.36Å; S346-E348 VanDerWaalsContact O-N 3.16Å; E348-F350 PolarHBondContact O-N 3.32Å; E348-K351 WeakPolarHBondContact O-CB 3.14Å; E348-K351 PolarHBondContact O-N 2.88Å
349A61.6Low78.3Confident60 Ų6051.7 Ų51.750%0.49629%0.285SS..Hα-helixtrans-67.2-22175.700000112.9S346 Y347 L353S346-A349 VanDerWaalsContact O-CB 3.26Å; S346-A349 WeakPolarHBondContact O-CB 3.26Å; S346-A349 PolarHBondContact O-N 3.14Å; S346-A349 PolarHBondContact OG-N 2.96Å; Y347-A349 PolarHBondContact O-N 3.26Å; A349-L353 WeakPolarHBondContact O-CD1 3.34Å; A349-L353 WeakPolarHBondContact O-CG 3.07Å
350F68Low78.1Confident4 Ų453.4 Ų53.42%0.01830%0.298CS..Hα-helixtrans-93.8-22.3175.4-62.3-65.7000113E345 Y347 E348 G352 L353 L358 K361 M393E345-F350 HydrophobicContact CB-CE2 4.04Å; E345-F350 HydrophobicContact CB-CZ 4.37Å; E345-F350 WeakPolarHBondContact OE2-CZ 3.49Å; Y347-F350 PolarHBondContact O-N 2.84Å; E348-F350 PolarHBondContact O-N 3.32Å; F350-G352 PolarHBondContact O-N 3.01Å; F350-L353 HydrophobicContact CD1-CD1 3.83Å; F350-L353 WeakPolarHBondContact O-CB 3.33Å; F350-L353 PolarHBondContact O-N 3.42Å; F350-L358 HydrophobicContact CB-CD2 4.06Å; F350-L358 HydrophobicContact CD1-CD2 3.34Å; F350-L358 HydrophobicContact CE1-CD2 4.12Å; F350-L358 HydrophobicContact CG-CD2 4.06Å; F350-K361 HydrophobicContact CE1-CD 4.5Å; F350-M393 HydrophobicContact CE1-CE 3.93Å; F350-M393 VanDerWaalsContact CE2-O 3.27Å; F350-M393 WeakPolarHBondContact CE2-O 3.21Å; F350-M393 HydrophobicContact CZ-CB 4.36Å; F350-M393 HydrophobicContact CZ-CE 4.05Å
351K71Confident77.9Confident137 Ų13756.4 Ų56.460%0.59630%0.299SS*.THydrogen-bonded Turntrans-61128.9174.7-170.7177.9-179.3177.40109.1Y347 E348 L353Y347-K351 PolarHBondContact O-N 3.3Å; Y347-K351 VanDerWaalsContact O-N 3.08Å; E348-K351 WeakPolarHBondContact O-CB 3.14Å; E348-K351 PolarHBondContact O-N 2.88Å; K351-L353 PolarHBondContact O-N 3.16Å
352G79Confident78Confident9 Ų955.7 Ų55.79%0.09329%0.294CS..THydrogen-bonded Turntrans80.8-9.5-176.700000114.6F350 P354 N408 S478 D479F350-G352 PolarHBondContact O-N 3.01Å; G352-P354 WeakPolarHBondContact O-CD 3.3Å; G352-N408 WeakPolarHBondContact CA-ND2 3.27Å; G352-N408 PolarHBondContact N-ND2 3.33Å; G352-N408 VanDerWaalsContact N-ND2 3.16Å; G352-S478 CarbonylContact O-C 3.59Å; G352-S478 WeakPolarHBondContact O-CA 3.46Å; G352-S478 PolarHBondContact O-OG 2.82Å; G352-D479 WeakPolarHBondContact CA-OD2 3.46Å; G352-D479 PolarHBondContact O-N 2.62Å
353L85.1Confident78.4Confident26 Ų2649.9 Ų49.914%0.13626%0.263CS..  trans-69.9130.7172.2-67-170.9000110.7A349 F350 K351 Y355 L358 N408 L482A349-L353 WeakPolarHBondContact O-CD1 3.34Å; A349-L353 WeakPolarHBondContact O-CG 3.07Å; F350-L353 HydrophobicContact CD1-CD1 3.83Å; F350-L353 WeakPolarHBondContact O-CB 3.33Å; F350-L353 PolarHBondContact O-N 3.42Å; K351-L353 PolarHBondContact O-N 3.16Å; L353-Y355 PolarHBondContact O-N 3.08Å; L353-L358 HydrophobicContact CB-CD2 4.16Å; L353-L358 HydrophobicContact CB-CG 4.34Å; L353-L358 HydrophobicContact CD1-CD2 4.01Å; L353-N408 PolarHBondContact N-ND2 3.24Å; L353-N408 WeakPolarHBondContact O-CB 3.38Å; L353-N408 PolarHBondContact O-ND2 2.83Å; L353-L482 HydrophobicContact CD2-CD1 3.58Å
354P90.3Very high79Confident0 Ų050.1 Ų50.10%027%0.265CS..  trans-48.6136167.4-27.430.2000112.1G352 L356 L357 L358 M476 S478 L482 L486G352-P354 WeakPolarHBondContact O-CD 3.3Å; P354-L356 PolarHBondContact O-N 3.26Å; P354-L356 VanDerWaalsContact O-N 3.09Å; P354-L357 HydrophobicContact CB-CD1 4.46Å; P354-L357 HydrophobicContact CB-CG 4.2Å; P354-L357 HydrophobicContact CG-CD1 4.05Å; P354-L357 HydrophobicContact CG-CG 4.32Å; P354-L357 PolarHBondContact O-N 3.16Å; P354-L358 PolarHBondContact O-N 3.1Å; P354-M476 HydrophobicContact CB-SD 3.74Å; P354-M476 HydrophobicContact CG-SD 4.46Å; P354-S478 WeakPolarHBondContact CD-OG 3.27Å; P354-S478 VanDerWaalsContact CG-OG 3.32Å; P354-S478 WeakPolarHBondContact CG-OG 3.39Å; P354-L482 HydrophobicContact CG-CB 4.27Å; P354-L486 HydrophobicContact CB-CD2 3.84Å; P354-L486 HydrophobicContact CG-CD2 4.03Å
355Y92.3Very high80Confident25 Ų2551.3 Ų51.310%0.09826%0.257CS..Hα-helixtrans-55.9-32.3178.779.5-105.2000112.8L353 L357 L358 I359 N408 E411 A415 P474 M476L353-Y355 PolarHBondContact O-N 3.08Å; Y355-L357 VanDerWaalsContact C-N 3.32Å; Y355-L357 PolarHBondContact O-N 3Å; Y355-L358 WeakPolarHBondContact O-CB 3.44Å; Y355-L358 PolarHBondContact O-N 3.3Å; Y355-I359 HydrophobicContact CD2-CD1 3.79Å; Y355-I359 HydrophobicContact CE2-CD1 4.21Å; Y355-I359 WeakPolarHBondContact O-CG1 3.48Å; Y355-I359 PolarHBondContact O-N 3.3Å; Y355-N408 WeakPolarHBondContact CB-O 3.48Å; Y355-E411 HydrophobicContact CD1-CB 4.18Å; Y355-E411 HydrophobicContact CG-CB 4.28Å; Y355-A415 HydrophobicContact CD2-CB 3.79Å; Y355-A415 HydrophobicContact CE2-CB 3.47Å; Y355-A415 VanDerWaalsContact CE2-CB 3.47Å; Y355-P474 HydrophobicContact CE1-CG 4.4Å; Y355-P474 WeakPolarHBondContact OH-CG 3.42Å; Y355-M476 HydrophobicContact CD1-CB 3.69Å; Y355-M476 HydrophobicContact CD1-CE 4.45Å; Y355-M476 HydrophobicContact CE1-CB 3.75Å; Y355-M476 HydrophobicContact CE1-CE 3.88Å
356L92.7Very high81.5Confident27 Ų2745.5 Ų45.514%0.14123%0.23CC..Hα-helixtrans-60.7-39.5176-69.9173.9000112.1P354 I359 V360 L473 M476 L486P354-L356 PolarHBondContact O-N 3.26Å; P354-L356 VanDerWaalsContact O-N 3.09Å; L356-I359 PolarHBondContact O-N 2.7Å; L356-V360 VanDerWaalsContact O-CG2 3.32Å; L356-V360 WeakPolarHBondContact O-CG2 3.49Å; L356-V360 PolarHBondContact O-N 3.48Å; L356-L473 HydrophobicContact CD1-CD2 4.04Å; L356-M476 HydrophobicContact CD1-CE 3.82Å; L356-M476 HydrophobicContact CG-CE 4.35Å; L356-L486 HydrophobicContact CD1-CD2 4.18Å
357L90.1Very high83.3Confident61 Ų6145.9 Ų45.932%0.31923%0.226SC..Hα-helixtrans-71.2-34.7177.8-63.7-176.3000111.4P354 Y355 V360 K361P354-L357 HydrophobicContact CB-CD1 4.46Å; P354-L357 HydrophobicContact CB-CG 4.2Å; P354-L357 HydrophobicContact CG-CD1 4.05Å; P354-L357 HydrophobicContact CG-CG 4.32Å; P354-L357 PolarHBondContact O-N 3.16Å; Y355-L357 VanDerWaalsContact C-N 3.32Å; Y355-L357 PolarHBondContact O-N 3Å; L357-V360 PolarHBondContact O-N 3.31Å; L357-K361 WeakPolarHBondContact O-CB 3.23Å; L357-K361 WeakPolarHBondContact O-CG 3.37Å; L357-K361 PolarHBondContact O-N 3.03Å
358L89.6Confident85.1Confident1 Ų150.3 Ų50.31%0.00525%0.251CS..Hα-helixtrans-61.1-47.2173-63.3176.1000110.8F350 L353 P354 Y355 V360 K361 A362 L390 N408 V409 A412F350-L358 HydrophobicContact CB-CD2 4.06Å; F350-L358 HydrophobicContact CD1-CD2 3.34Å; F350-L358 HydrophobicContact CE1-CD2 4.12Å; F350-L358 HydrophobicContact CG-CD2 4.06Å; L353-L358 HydrophobicContact CB-CD2 4.16Å; L353-L358 HydrophobicContact CB-CG 4.34Å; L353-L358 HydrophobicContact CD1-CD2 4.01Å; P354-L358 PolarHBondContact O-N 3.1Å; Y355-L358 WeakPolarHBondContact O-CB 3.44Å; Y355-L358 PolarHBondContact O-N 3.3Å; L358-V360 PolarHBondContact O-N 3.46Å; L358-K361 PolarHBondContact O-N 3.35Å; L358-A362 WeakPolarHBondContact O-CB 3.48Å; L358-A362 PolarHBondContact O-N 3.45Å; L358-L390 HydrophobicContact CB-CD1 4.06Å; L358-N408 HydrophobicContact CD1-CB 4.26Å; L358-V409 HydrophobicContact CD1-CG2 3.81Å; L358-A412 HydrophobicContact CB-CB 4.14Å; L358-A412 HydrophobicContact CD1-CB 4.11Å
359I92.4Very high86.6Confident11 Ų1148.9 Ų48.96%0.05626%0.255CS..Hα-helixtrans-62.2-44.2177.6-66.1170.5000111Y355 L356 A362 L363 A412 A415 L416 C419Y355-I359 HydrophobicContact CD2-CD1 3.79Å; Y355-I359 HydrophobicContact CE2-CD1 4.21Å; Y355-I359 WeakPolarHBondContact O-CG1 3.48Å; Y355-I359 PolarHBondContact O-N 3.3Å; L356-I359 PolarHBondContact O-N 2.7Å; I359-A362 PolarHBondContact O-N 3.22Å; I359-L363 VanDerWaalsContact O-CB 3.28Å; I359-L363 WeakPolarHBondContact O-CB 3.28Å; I359-L363 PolarHBondContact O-N 2.88Å; I359-A412 HydrophobicContact CG1-CB 4.17Å; I359-A415 HydrophobicContact CD1-CB 4.37Å; I359-L416 HydrophobicContact CB-CD1 4.45Å; I359-L416 HydrophobicContact CD1-CD1 4.37Å; I359-L416 HydrophobicContact CG1-CD1 3.98Å; I359-L416 HydrophobicContact CG2-CD1 3.83Å; I359-C419 HydrophobicContact CD1-CB 3.94Å; I359-C419 HydrophobicContact CG2-CB 4.37Å
360V92.1Very high87.9Confident76 Ų7648.8 Ų48.846%0.46125%0.248SC..Hα-helixtrans-62.5-44.7177.8171.10000111.3L356 L357 L358 A362 L363 D364L356-V360 VanDerWaalsContact O-CG2 3.32Å; L356-V360 WeakPolarHBondContact O-CG2 3.49Å; L356-V360 PolarHBondContact O-N 3.48Å; L357-V360 PolarHBondContact O-N 3.31Å; L358-V360 PolarHBondContact O-N 3.46Å; V360-A362 PolarHBondContact O-N 3.37Å; V360-L363 WeakPolarHBondContact O-CB 2.88Å; V360-L363 PolarHBondContact O-N 3.18Å; V360-D364 PolarHBondContact O-N 3.13Å
361K89Confident88.9Confident106 Ų10651.7 Ų51.746%0.46128%0.279SS..Hα-helixtrans-62.8-42.3175.9-77.5-170.1165.9-157.60112.4F350 L357 L358 L363 D364 R365 M393F350-K361 HydrophobicContact CE1-CD 4.5Å; L357-K361 WeakPolarHBondContact O-CB 3.23Å; L357-K361 WeakPolarHBondContact O-CG 3.37Å; L357-K361 PolarHBondContact O-N 3.03Å; L358-K361 PolarHBondContact O-N 3.35Å; K361-L363 VanDerWaalsContact C-N 3.3Å; K361-L363 PolarHBondContact O-N 3.27Å; K361-D364 PolarHBondContact O-N 3.1Å; K361-R365 PolarHBondContact O-N 3.12Å; K361-M393 HydrophobicContact CB-CE 3.77Å
362A90.9Very high89.6Confident0 Ų049.5 Ų49.50%027%0.27CS..Hα-helixtrans-63.4-39.2175.500000111.4L358 I359 V360 R365 W366 L386 L390 M393L358-A362 WeakPolarHBondContact O-CB 3.48Å; L358-A362 PolarHBondContact O-N 3.45Å; I359-A362 PolarHBondContact O-N 3.22Å; V360-A362 PolarHBondContact O-N 3.37Å; A362-R365 PolarHBondContact O-N 2.95Å; A362-W366 VanDerWaalsContact O-CB 3.27Å; A362-W366 WeakPolarHBondContact O-CB 3.5Å; A362-W366 PolarHBondContact O-N 2.62Å; A362-L386 VanDerWaalsContact C-CD1 3.5Å; A362-L386 HydrophobicContact CB-CD1 4Å; A362-L386 WeakPolarHBondContact O-CD1 3.43Å; A362-L390 HydrophobicContact CB-CB 3.81Å; A362-L390 HydrophobicContact CB-CD1 4.04Å; A362-L390 HydrophobicContact CB-CG 4.46Å; A362-M393 VanDerWaalsContact CA-SD 3.56Å; A362-M393 HydrophobicContact CB-SD 3.79Å
363L93Very high89.8Confident19 Ų1954.8 Ų54.810%0.09930%0.295CS..Hα-helixtrans-63.8-44.3176-179.464.9000111.5I359 V360 K361 R365 W366 R367 L376 L386I359-L363 VanDerWaalsContact O-CB 3.28Å; I359-L363 WeakPolarHBondContact O-CB 3.28Å; I359-L363 PolarHBondContact O-N 2.88Å; V360-L363 WeakPolarHBondContact O-CB 2.88Å; V360-L363 PolarHBondContact O-N 3.18Å; K361-L363 VanDerWaalsContact C-N 3.3Å; K361-L363 PolarHBondContact O-N 3.27Å; L363-R365 VanDerWaalsContact C-N 3.34Å; L363-R365 PolarHBondContact O-N 3.36Å; L363-W366 HydrophobicContact CD1-CE3 4.03Å; L363-W366 HydrophobicContact CD1-CZ3 4.49Å; L363-W366 PolarHBondContact O-N 3.29Å; L363-R367 HydrophobicContact CD1-CG 4.42Å; L363-R367 WeakPolarHBondContact O-CB 3.4Å; L363-R367 WeakPolarHBondContact O-CG 3.22Å; L363-R367 PolarHBondContact O-N 3.01Å; L363-L376 HydrophobicContact CD1-CD2 4.29Å; L363-L376 HydrophobicContact CD2-CD2 3.75Å; L363-L386 HydrophobicContact CB-CD1 4.38Å; L363-L386 HydrophobicContact CD1-CD2 4.26Å
364D91.3Very high89.8Confident77 Ų7760.4 Ų60.441%0.41233%0.325SS..Hα-helixtrans-61.3-43.3176.1-72.1-22.3000111.6V360 K361 R367 L368V360-D364 PolarHBondContact O-N 3.13Å; K361-D364 PolarHBondContact O-N 3.1Å; D364-R367 PolarHBondContact O-N 3.33Å; D364-R367 IonicContact OD1-NH1 2.7Å; D364-L368 WeakPolarHBondContact O-CG 3.34Å; D364-L368 PolarHBondContact O-N 3.41Å; D364-L368 VanDerWaalsContact O-N 3.08Å
365R88.7Confident89.6Confident105 Ų10561.8 Ų61.840%0.39634%0.337SS..Hα-helixtrans-63.7-44.3175-173.9175.1175.6178.4-3111.7K361 A362 L363 R367 L368 C369 C389 M393K361-R365 PolarHBondContact O-N 3.12Å; A362-R365 PolarHBondContact O-N 2.95Å; L363-R365 VanDerWaalsContact C-N 3.34Å; L363-R365 PolarHBondContact O-N 3.36Å; R365-R367 VanDerWaalsContact C-N 3.34Å; R365-R367 PolarHBondContact O-N 3.05Å; R365-L368 WeakPolarHBondContact O-CB 3.24Å; R365-L368 PolarHBondContact O-N 3.26Å; R365-C369 PolarHBondContact O-N 3.33Å; R365-C369 PolarHBondContact O-SG 3Å; R365-C369 VanDerWaalsContact O-SG 3.36Å; R365-C389 VanDerWaalsContact CD-SG 3.58Å; R365-C389 VanDerWaalsContact CG-SG 3.55Å; R365-M393 VanDerWaalsContact NH1-CG 3.28Å
366W92Very high89.4Confident3 Ų364.1 Ų64.11%0.01135%0.351CS..Hα-helixtrans-61.7-40.8176.9178.187.7000112.1A362 L363 L368 C369 T370 K372 P377 E382 S385 L386 C389A362-W366 VanDerWaalsContact O-CB 3.27Å; A362-W366 WeakPolarHBondContact O-CB 3.5Å; A362-W366 PolarHBondContact O-N 2.62Å; L363-W366 HydrophobicContact CD1-CE3 4.03Å; L363-W366 HydrophobicContact CD1-CZ3 4.49Å; L363-W366 PolarHBondContact O-N 3.29Å; W366-L368 VanDerWaalsContact C-N 3.33Å; W366-L368 PolarHBondContact O-N 2.89Å; W366-C369 PolarHBondContact O-N 3.43Å; W366-T370 HydrophobicContact CD2-CG2 4.1Å; W366-T370 HydrophobicContact CG-CG2 4.47Å; W366-T370 HydrophobicContact CZ2-CG2 3.88Å; W366-T370 WeakPolarHBondContact O-CB 3.46Å; W366-T370 WeakPolarHBondContact O-CG2 3.21Å; W366-T370 PolarHBondContact O-N 2.93Å; W366-T370 PolarHBondContact O-OG1 2.82Å; W366-K372 HydrophobicContact CH2-CD 4.48Å; W366-P377 HydrophobicContact CH2-CB 4.38Å; W366-P377 HydrophobicContact CZ2-CB 4.38Å; W366-E382 HydrophobicContact CH2-CB 4.49Å; W366-E382 HydrophobicContact CZ2-CB 3.78Å; W366-E382 HydrophobicContact CZ2-CG 3.94Å; W366-S385 PolarHBondContact NE1-OG 3.41Å; W366-L386 HydrophobicContact CB-CD1 3.67Å; W366-L386 HydrophobicContact CG-CB 4.18Å; W366-L386 HydrophobicContact CG-CD1 4.06Å; W366-C389 HydrophobicContact CB-CB 4.49Å
367R93.4Very high89.3Confident44 Ų4463.3 Ų63.317%0.16635%0.347CS..Hα-helixtrans-62.3-39174.9-73.1167.8165.3173.3-3.1112.3L363 D364 R365 T370 G371 K372 L373 A375L363-R367 HydrophobicContact CD1-CG 4.42Å; L363-R367 WeakPolarHBondContact O-CB 3.4Å; L363-R367 WeakPolarHBondContact O-CG 3.22Å; L363-R367 PolarHBondContact O-N 3.01Å; D364-R367 PolarHBondContact O-N 3.33Å; D364-R367 IonicContact OD1-NH1 2.7Å; R365-R367 VanDerWaalsContact C-N 3.34Å; R365-R367 PolarHBondContact O-N 3.05Å; R367-T370 PolarHBondContact O-OG1 3.42Å; R367-G371 CarbonylContact O-C 3.5Å; R367-G371 WeakPolarHBondContact O-CA 3.27Å; R367-G371 PolarHBondContact O-N 3.36Å; R367-K372 WeakPolarHBondContact CG-O 3.48Å; R367-K372 PolarHBondContact O-N 2.88Å; R367-K372 VanDerWaalsContact O-N 3.16Å; R367-L373 WeakPolarHBondContact CD-O 3.49Å; R367-A375 PolarHBondContact NE-O 3.2Å; R367-A375 PolarHBondContact NH2-O 2.93Å
368L88.8Confident89.2Confident134 Ų13468.7 Ų68.770%0.70237%0.37SS*.Hα-helixtrans-66.6-43175-70.4170.8000111.7D364 R365 W366D364-L368 WeakPolarHBondContact O-CG 3.34Å; D364-L368 PolarHBondContact O-N 3.41Å; D364-L368 VanDerWaalsContact O-N 3.08Å; R365-L368 WeakPolarHBondContact O-CB 3.24Å; R365-L368 PolarHBondContact O-N 3.26Å; W366-L368 VanDerWaalsContact C-N 3.33Å; W366-L368 PolarHBondContact O-N 2.89Å
369C87.5Confident89.2Confident101 Ų10171.9 Ų71.968%0.68239%0.39SS*.Hα-helixtrans-68.6-34.4179.2-68.40000113.2R365 W366R365-C369 PolarHBondContact O-N 3.33Å; R365-C369 PolarHBondContact O-SG 3Å; R365-C369 VanDerWaalsContact O-SG 3.36Å; W366-C369 PolarHBondContact O-N 3.43Å
370T89.3Confident89Confident58 Ų5876.4 Ų76.436%0.35642%0.423SS..Hα-helixtrans-89.4-14.8179.456.40000113.6W366 R367 K372W366-T370 HydrophobicContact CD2-CG2 4.1Å; W366-T370 HydrophobicContact CG-CG2 4.47Å; W366-T370 HydrophobicContact CZ2-CG2 3.88Å; W366-T370 WeakPolarHBondContact O-CB 3.46Å; W366-T370 WeakPolarHBondContact O-CG2 3.21Å; W366-T370 PolarHBondContact O-N 2.93Å; W366-T370 PolarHBondContact O-OG1 2.82Å; R367-T370 PolarHBondContact O-OG1 3.42Å; T370-K372 PolarHBondContact O-N 3.47Å; T370-K372 PolarHBondContact OG1-N 2.88Å
371G87.5Confident89Confident65 Ų6580.6 Ų80.667%0.6744%0.437SS*.THydrogen-bonded Turntrans74.25.7-17300000114.5R367 L373R367-G371 CarbonylContact O-C 3.5Å; R367-G371 WeakPolarHBondContact O-CA 3.27Å; R367-G371 PolarHBondContact O-N 3.36Å; G371-L373 PolarHBondContact O-N 2.88Å
372K87.1Confident89.1Confident92 Ų9277.2 Ų77.240%0.442%0.423SS..  trans-94.574.5-177.9-62.6-175.5178-175.60111.8W366 R367 T370 N374 A375 E382W366-K372 HydrophobicContact CH2-CD 4.48Å; R367-K372 WeakPolarHBondContact CG-O 3.48Å; R367-K372 PolarHBondContact O-N 2.88Å; R367-K372 VanDerWaalsContact O-N 3.16Å; T370-K372 PolarHBondContact O-N 3.47Å; T370-K372 PolarHBondContact OG1-N 2.88Å; K372-N374 PolarHBondContact O-N 3.36Å; K372-A375 HydrophobicContact CB-CB 3.63Å; K372-A375 HydrophobicContact CD-CB 3.98Å; K372-A375 HydrophobicContact CG-CB 4.41Å; K372-A375 PolarHBondContact O-N 3.5Å; K372-A375 VanDerWaalsContact O-N 3.13Å; K372-E382 IonicContact NZ-OE1 2.77Å; K372-E382 PolarHBondContact NZ-OE1 3.35Å
373L82.7Confident89.2Confident120 Ų12078.3 Ų78.363%0.62843%0.43SS*.THydrogen-bonded Turntrans-52.7-27.3-166.8-168.362.6000116.5R367 G371R367-L373 WeakPolarHBondContact CD-O 3.49Å; G371-L373 PolarHBondContact O-N 2.88Å
374N85.1Confident89.2Confident143 Ų14382.3 Ų82.377%0.76545%0.448SS*.THydrogen-bonded Turntrans-12510.3-178.1-67.9-31.4000114.1K372K372-N374 PolarHBondContact O-N 3.36Å
375A86.4Confident89.2Confident29 Ų2981.3 Ų81.324%0.2445%0.447CS..  trans-80.9156.7-177.700000112.1R367 K372R367-A375 PolarHBondContact NE-O 3.2Å; R367-A375 PolarHBondContact NH2-O 2.93Å; K372-A375 HydrophobicContact CB-CB 3.63Å; K372-A375 HydrophobicContact CD-CB 3.98Å; K372-A375 HydrophobicContact CG-CB 4.41Å; K372-A375 PolarHBondContact O-N 3.5Å; K372-A375 VanDerWaalsContact O-N 3.13Å
376L88.2Confident89.4Confident75 Ų7576.4 Ų76.439%0.39343%0.429SS..  trans-104.1154.1158.9-69.8172.2000108L363 E378L363-L376 HydrophobicContact CD1-CD2 4.29Å; L363-L376 HydrophobicContact CD2-CD2 3.75Å; L376-E378 PolarHBondContact O-N 3.37Å
377P90.1Very high89.5Confident9 Ų979.1 Ų79.16%0.05844%0.44CS..  trans-61.5123.4172.21.80000110.6W366 E382 V383 L386 V420W366-P377 HydrophobicContact CH2-CB 4.38Å; W366-P377 HydrophobicContact CZ2-CB 4.38Å; P377-E382 WeakPolarHBondContact CA-OE2 3.24Å; P377-E382 HydrophobicContact CB-CB 3.65Å; P377-V383 HydrophobicContact CB-CG2 3.85Å; P377-V383 HydrophobicContact CG-CG2 4.48Å; P377-L386 HydrophobicContact CG-CB 4.29Å; P377-L386 HydrophobicContact CG-CD2 3.59Å; P377-V420 HydrophobicContact CB-CG1 4.07Å; P377-V420 HydrophobicContact CG-CB 4.47Å; P377-V420 HydrophobicContact CG-CG1 3.59Å; P377-V420 HydrophobicContact CG-CG2 3.98Å; P377-V420 WeakPolarHBondContact O-CG1 3.43Å
378E87.7Confident89.3Confident175 Ų17579.4 Ų79.482%0.81845%0.453SS*.  trans-103.5-25.8-178.4-67.4-179.817500112.3L376 E382L376-E378 PolarHBondContact O-N 3.37Å; E378-E382 PolarHBondContact N-OE2 2.95Å
379T89.6Confident89.3Confident67 Ų6773.7 Ų73.741%0.41142%0.423SS..SBendtrans-107.5155.3-179.874.80000111.6E381 E382 V383T379-E381 PolarHBondContact O-N 2.91Å; T379-E382 WeakPolarHBondContact O-CB 3.46Å; T379-E382 PolarHBondContact O-N 2.89Å; T379-E382 WeakPolarHBondContact OG1-CG 3.5Å; T379-E382 PolarHBondContact OG1-N 3.34Å; T379-E382 VanDerWaalsContact OG1-N 3.15Å; T379-V383 WeakPolarHBondContact O-CG2 3.47Å; T379-V383 PolarHBondContact O-N 3.16Å
380S89.7Confident89.4Confident107 Ų10768.9 Ų68.975%0.74839%0.391SS*.Hα-helixtrans-57.5-32.2174.6-51.40000112.7V383 E384S380-V383 PolarHBondContact O-N 3.41Å; S380-E384 PolarHBondContact O-N 3.5Å
381E91Very high89.3Confident163 Ų16368.9 Ų68.976%0.76239%0.387SS*.Hα-helixtrans-67.4-40.7175.2-64.7179.1179.300111.9T379 E384 S385T379-E381 PolarHBondContact O-N 2.91Å; E381-E384 PolarHBondContact O-N 3.37Å; E381-S385 WeakPolarHBondContact O-CB 3.45Å; E381-S385 PolarHBondContact O-N 2.92Å
382E92.1Very high88.9Confident35 Ų3568.4 Ų68.416%0.16437%0.373CS..Hα-helixtrans-68.1-38.5176.2-72.2-175.8159.700111.7W366 K372 P377 E378 T379 S385 L386W366-E382 HydrophobicContact CH2-CB 4.49Å; W366-E382 HydrophobicContact CZ2-CB 3.78Å; W366-E382 HydrophobicContact CZ2-CG 3.94Å; K372-E382 IonicContact NZ-OE1 2.77Å; K372-E382 PolarHBondContact NZ-OE1 3.35Å; P377-E382 WeakPolarHBondContact CA-OE2 3.24Å; P377-E382 HydrophobicContact CB-CB 3.65Å; E378-E382 PolarHBondContact N-OE2 2.95Å; T379-E382 WeakPolarHBondContact O-CB 3.46Å; T379-E382 PolarHBondContact O-N 2.89Å; T379-E382 WeakPolarHBondContact OG1-CG 3.5Å; T379-E382 PolarHBondContact OG1-N 3.34Å; T379-E382 VanDerWaalsContact OG1-N 3.15Å; E382-S385 WeakPolarHBondContact O-CB 3.49Å; E382-S385 PolarHBondContact O-N 3.47Å; E382-L386 PolarHBondContact O-N 3.49Å
383V92.1Very high88.4Confident24 Ų2464.8 Ų64.815%0.14536%0.358CS..Hα-helixtrans-62.8-45.4173.81770000110.8P377 T379 S380 S385 L386 K387 N417 V420P377-V383 HydrophobicContact CB-CG2 3.85Å; P377-V383 HydrophobicContact CG-CG2 4.48Å; T379-V383 WeakPolarHBondContact O-CG2 3.47Å; T379-V383 PolarHBondContact O-N 3.16Å; S380-V383 PolarHBondContact O-N 3.41Å; V383-S385 VanDerWaalsContact C-N 3.31Å; V383-S385 PolarHBondContact O-N 2.99Å; V383-L386 PolarHBondContact O-N 3.44Å; V383-K387 WeakPolarHBondContact O-CB 3.41Å; V383-K387 PolarHBondContact O-N 3.29Å; V383-N417 VanDerWaalsContact CG1-OD1 3.24Å; V383-N417 WeakPolarHBondContact CG1-OD1 3.43Å; V383-V420 HydrophobicContact CG2-CG1 4.29Å
384E92.5Very high87.8Confident102 Ų10260 Ų6048%0.47733%0.333SS..Hα-helixtrans-66.7-34.4177.7-162.263.4-149.300111.6S380 E381 K387 A388S380-E384 PolarHBondContact O-N 3.5Å; E381-E384 PolarHBondContact O-N 3.37Å; E384-K387 WeakPolarHBondContact O-CB 3.37Å; E384-K387 PolarHBondContact O-N 3.5Å; E384-K387 IonicContact OE1-NZ 3.2Å; E384-K387 PolarHBondContact OE1-NZ 3.13Å; E384-K387 VanDerWaalsContact OE1-NZ 3.1Å; E384-K387 IonicContact OE2-NZ 2.8Å; E384-A388 WeakPolarHBondContact O-CB 3.42Å; E384-A388 PolarHBondContact O-N 3.47Å
385S92.8Very high86.8Confident57 Ų5760.1 Ų60.140%0.39933%0.327SS..Hα-helixtrans-64.2-41.8172.31770000112.5W366 E381 E382 V383 A388 C389W366-S385 PolarHBondContact NE1-OG 3.41Å; E381-S385 WeakPolarHBondContact O-CB 3.45Å; E381-S385 PolarHBondContact O-N 2.92Å; E382-S385 WeakPolarHBondContact O-CB 3.49Å; E382-S385 PolarHBondContact O-N 3.47Å; V383-S385 VanDerWaalsContact C-N 3.31Å; V383-S385 PolarHBondContact O-N 2.99Å; S385-A388 PolarHBondContact O-N 2.98Å; S385-C389 WeakPolarHBondContact O-CB 3.4Å; S385-C389 PolarHBondContact O-N 3.21Å
386L93Very high85Confident1 Ų162.4 Ų62.41%0.00534%0.341CS..Hα-helixtrans-64.6-40.4173.2174.960.4000111.5A362 L363 W366 P377 E382 V383 C389 L390 L416 V420A362-L386 VanDerWaalsContact C-CD1 3.5Å; A362-L386 HydrophobicContact CB-CD1 4Å; A362-L386 WeakPolarHBondContact O-CD1 3.43Å; L363-L386 HydrophobicContact CB-CD1 4.38Å; L363-L386 HydrophobicContact CD1-CD2 4.26Å; W366-L386 HydrophobicContact CB-CD1 3.67Å; W366-L386 HydrophobicContact CG-CB 4.18Å; W366-L386 HydrophobicContact CG-CD1 4.06Å; P377-L386 HydrophobicContact CG-CB 4.29Å; P377-L386 HydrophobicContact CG-CD2 3.59Å; E382-L386 PolarHBondContact O-N 3.49Å; V383-L386 PolarHBondContact O-N 3.44Å; L386-C389 WeakPolarHBondContact O-CA 3.39Å; L386-C389 VanDerWaalsContact O-CB 3.24Å; L386-C389 WeakPolarHBondContact O-CB 3.38Å; L386-C389 PolarHBondContact O-N 2.91Å; L386-C389 VanDerWaalsContact O-N 3.16Å; L386-L390 PolarHBondContact O-N 3.09Å; L386-L416 HydrophobicContact CD2-CD1 3.86Å; L386-L416 HydrophobicContact CG-CD1 4.1Å; L386-L416 HydrophobicContact CG-CD2 4.42Å; L386-V420 HydrophobicContact CD2-CG2 3.85Å
387K92.4Very high82.8Confident60 Ų6068.7 Ų68.726%0.26137%0.368SS..Hα-helixtrans-62.1-45175.4-172.3-179.9160.1-151.10111.7V383 E384 C389 L390 E391 L413 L416V383-K387 WeakPolarHBondContact O-CB 3.41Å; V383-K387 PolarHBondContact O-N 3.29Å; E384-K387 WeakPolarHBondContact O-CB 3.37Å; E384-K387 PolarHBondContact O-N 3.5Å; E384-K387 IonicContact OE1-NZ 3.2Å; E384-K387 PolarHBondContact OE1-NZ 3.13Å; E384-K387 VanDerWaalsContact OE1-NZ 3.1Å; E384-K387 IonicContact OE2-NZ 2.8Å; K387-C389 VanDerWaalsContact C-N 3.26Å; K387-C389 PolarHBondContact O-N 3.26Å; K387-L390 PolarHBondContact O-N 3.43Å; K387-E391 WeakPolarHBondContact O-CG 3.37Å; K387-E391 PolarHBondContact O-N 3.31Å; K387-L413 HydrophobicContact CG-CD2 3.77Å; K387-L416 HydrophobicContact CB-CD2 3.58Å; K387-L416 HydrophobicContact CG-CD2 4.06Å
388A90.1Very high80.6Confident51 Ų5170.6 Ų70.642%0.42139%0.389SS..Hα-helixtrans-60.8-36.3173.200000111.9E384 S385 E391 S392E384-A388 WeakPolarHBondContact O-CB 3.42Å; E384-A388 PolarHBondContact O-N 3.47Å; S385-A388 PolarHBondContact O-N 2.98Å; A388-E391 PolarHBondContact O-N 3.43Å; A388-S392 VanDerWaalsContact O-CB 3.3Å; A388-S392 WeakPolarHBondContact O-CB 3.32Å; A388-S392 PolarHBondContact O-N 2.92Å; A388-S392 PolarHBondContact O-OG 3.36Å
389C88.9Confident78.4Confident13 Ų1373 Ų739%0.08839%0.39CS..Hα-helixtrans-61.9-49173.7-166.80000111.4R365 W366 S385 L386 K387 E391 S392 M393R365-C389 VanDerWaalsContact CD-SG 3.58Å; R365-C389 VanDerWaalsContact CG-SG 3.55Å; W366-C389 HydrophobicContact CB-CB 4.49Å; S385-C389 WeakPolarHBondContact O-CB 3.4Å; S385-C389 PolarHBondContact O-N 3.21Å; L386-C389 WeakPolarHBondContact O-CA 3.39Å; L386-C389 VanDerWaalsContact O-CB 3.24Å; L386-C389 WeakPolarHBondContact O-CB 3.38Å; L386-C389 PolarHBondContact O-N 2.91Å; L386-C389 VanDerWaalsContact O-N 3.16Å; K387-C389 VanDerWaalsContact C-N 3.26Å; K387-C389 PolarHBondContact O-N 3.26Å; C389-E391 PolarHBondContact O-N 2.91Å; C389-S392 PolarHBondContact O-N 3.36Å; C389-S392 PolarHBondContact O-OG 2.93Å; C389-M393 WeakPolarHBondContact O-CG 3.47Å; C389-M393 PolarHBondContact O-N 3.1Å; C389-M393 VanDerWaalsContact O-N 3.1Å
390L88.6Confident76.2Confident1 Ų176.1 Ų76.11%0.00541%0.405CS..Hα-helixtrans-60.4-44.6175.9177.759.6000111.9L358 A362 L386 K387 S392 M393 V394 A412 L413L358-L390 HydrophobicContact CB-CD1 4.06Å; A362-L390 HydrophobicContact CB-CB 3.81Å; A362-L390 HydrophobicContact CB-CD1 4.04Å; A362-L390 HydrophobicContact CB-CG 4.46Å; L386-L390 PolarHBondContact O-N 3.09Å; K387-L390 PolarHBondContact O-N 3.43Å; L390-S392 VanDerWaalsContact C-N 3.33Å; L390-S392 PolarHBondContact O-N 3.48Å; L390-M393 WeakPolarHBondContact O-CB 3.42Å; L390-M393 PolarHBondContact O-N 3.32Å; L390-V394 WeakPolarHBondContact O-CG2 3.48Å; L390-A412 HydrophobicContact CD2-CB 3.82Å; L390-L413 HydrophobicContact CD2-CD2 3.77Å; L390-L413 HydrophobicContact CD2-CG 4.12Å; L390-L413 HydrophobicContact CG-CD2 4.13Å
391E86.8Confident74.2Confident58 Ų5874.2 Ų74.227%0.27140%0.396SS..Hα-helixtrans-61.8-40.8175.1-72.7-177.5-169.100112.3K387 A388 C389 M393 V394 K395 L413K387-E391 WeakPolarHBondContact O-CG 3.37Å; K387-E391 PolarHBondContact O-N 3.31Å; A388-E391 PolarHBondContact O-N 3.43Å; C389-E391 PolarHBondContact O-N 2.91Å; E391-M393 PolarHBondContact O-N 2.86Å; E391-V394 PolarHBondContact O-N 3.28Å; E391-K395 WeakPolarHBondContact O-CG 3.49Å; E391-K395 PolarHBondContact O-N 3.42Å; E391-K395 IonicContact OE2-NZ 3.99Å; E391-K395 PolarHBondContact OE2-NZ 3.35Å; E391-K395 VanDerWaalsContact OE2-NZ 3.1Å; E391-L413 HydrophobicContact CG-CD1 4.42Å; E391-L413 HydrophobicContact CG-CD2 3.92Å
392S80.6Confident72Confident54 Ų5471.3 Ų71.338%0.37840%0.4SS..Hα-helixtrans-67.2-24.1179.477.70000113.3A388 C389 L390 V394A388-S392 VanDerWaalsContact O-CB 3.3Å; A388-S392 WeakPolarHBondContact O-CB 3.32Å; A388-S392 PolarHBondContact O-N 2.92Å; A388-S392 PolarHBondContact O-OG 3.36Å; C389-S392 PolarHBondContact O-N 3.36Å; C389-S392 PolarHBondContact O-OG 2.93Å; L390-S392 VanDerWaalsContact C-N 3.33Å; L390-S392 PolarHBondContact O-N 3.48Å; S392-V394 PolarHBondContact O-N 2.94Å
393M75.5Confident70Confident17 Ų1776.8 Ų76.88%0.08443%0.425CS..THydrogen-bonded Turntrans-72.5-18.2172.6-69.4168.660.500112.3F350 K361 A362 R365 C389 L390 E391F350-M393 HydrophobicContact CE1-CE 3.93Å; F350-M393 VanDerWaalsContact CE2-O 3.27Å; F350-M393 WeakPolarHBondContact CE2-O 3.21Å; F350-M393 HydrophobicContact CZ-CB 4.36Å; F350-M393 HydrophobicContact CZ-CE 4.05Å; K361-M393 HydrophobicContact CB-CE 3.77Å; A362-M393 VanDerWaalsContact CA-SD 3.56Å; A362-M393 HydrophobicContact CB-SD 3.79Å; R365-M393 VanDerWaalsContact NH1-CG 3.28Å; C389-M393 WeakPolarHBondContact O-CG 3.47Å; C389-M393 PolarHBondContact O-N 3.1Å; C389-M393 VanDerWaalsContact O-N 3.1Å; L390-M393 WeakPolarHBondContact O-CB 3.42Å; L390-M393 PolarHBondContact O-N 3.32Å; E391-M393 PolarHBondContact O-N 2.86Å
394V70Confident68.5Low18 Ų1880.1 Ų80.111%0.10945%0.45CS..THydrogen-bonded Turntrans-109.9-24.5-172.4-176.60000112.5Y347 L390 E391 S392 C396 V409Y347-V394 HydrophobicContact CD2-CG1 4.09Å; Y347-V394 HydrophobicContact CE2-CG1 4.26Å; L390-V394 WeakPolarHBondContact O-CG2 3.48Å; E391-V394 PolarHBondContact O-N 3.28Å; S392-V394 PolarHBondContact O-N 2.94Å; V394-C396 PolarHBondContact O-N 2.93Å; V394-V409 HydrophobicContact CB-CG1 4.33Å; V394-V409 HydrophobicContact CG1-CG1 4.09Å; V394-V409 HydrophobicContact CG1-CG2 4.04Å; V394-V409 HydrophobicContact CG2-CB 4.4Å; V394-V409 HydrophobicContact CG2-CG1 3.8Å; V394-V409 HydrophobicContact CG2-CG2 3.66Å
395K64.1Low67.3Low146 Ų14680 Ų8064%0.63545%0.451SS*.  trans-67.4119.9178.4-75.4173.8-175.8163.20111.3E391E391-K395 WeakPolarHBondContact O-CG 3.49Å; E391-K395 PolarHBondContact O-N 3.42Å; E391-K395 IonicContact OE2-NZ 3.99Å; E391-K395 PolarHBondContact OE2-NZ 3.35Å; E391-K395 VanDerWaalsContact OE2-NZ 3.1Å
396C48.9Very low66.4Low77 Ų7777.7 Ų77.752%0.5244%0.435SS..  trans-76.2136.7168.5-66.80000111.6V394V394-C396 PolarHBondContact O-N 2.93Å
397E42.6Very low66Low208 Ų20881.9 Ų81.997%0.97246%0.461SS*.  trans-94.495.3154-68.2-173.1166.700107.5
398G44.3Very low65.7Low48 Ų4879.6 Ų79.650%0.49545%0.452SS..SBendtrans-178.5158.9-178.200000113.9D400 A401G398-D400 PolarHBondContact O-N 3.45Å; G398-D400 VanDerWaalsContact O-N 3.14Å; G398-A401 WeakPolarHBondContact O-CB 3.47Å; G398-A401 PolarHBondContact O-N 2.92Å
399R41.4Very low65.4Low225 Ų22577.3 Ų77.385%0.84943%0.432SS*.THydrogen-bonded Turntrans-63.4-18.6-172.7-69.7-176.1-165.1176.89.5114.4
400D42.5Very low65.3Low133 Ų13380.5 Ų80.571%0.71145%0.451SS*.THydrogen-bonded Turntrans-10127.3177.4-62.6-41.3000113.4G398 A402 E403G398-D400 PolarHBondContact O-N 3.45Å; G398-D400 VanDerWaalsContact O-N 3.14Å; D400-A402 PolarHBondContact O-N 3.28Å; D400-E403 PolarHBondContact O-N 2.98Å; D400-E403 VanDerWaalsContact O-N 3.14Å
401A48.3Very low65.5Low68 Ų6882.8 Ų82.856%0.56246%0.462SS*.THydrogen-bonded Turntrans-58.50.6175.400000115.6G398G398-A401 WeakPolarHBondContact O-CB 3.47Å; G398-A401 PolarHBondContact O-N 2.92Å
402A43.9Very low65.7Low102 Ų10280 Ų8084%0.84345%0.449SS*.THydrogen-bonded Turntrans-89.8-1.4174.900000113.9D400 S404D400-A402 PolarHBondContact O-N 3.28Å; A402-S404 PolarHBondContact O-N 3.46Å
403E51.1Low66.1Low149 Ų14979.4 Ų79.470%0.69644%0.441SS*.SBendtrans-65.7126.4170.3-78.8-163.8147.500110.8D400 I405D400-E403 PolarHBondContact O-N 2.98Å; D400-E403 VanDerWaalsContact O-N 3.14Å; E403-I405 PolarHBondContact O-N 3.08Å
404S59.5Low66.9Low95 Ų9582.5 Ų82.566%0.66447%0.469SS*.  trans-55.2133.6-173.866.30000111.6Y347 A402 S406Y347-S404 PolarHBondContact OH-O 3.22Å; A402-S404 PolarHBondContact O-N 3.46Å; S404-S406 PolarHBondContact O-N 2.91Å
405I68Low68Low99 Ų9982.5 Ų82.551%0.50847%0.472SS..  trans-46132.8167.7-62171000109.4E403 V409 V410E403-I405 PolarHBondContact O-N 3.08Å; I405-V409 HydrophobicContact CG2-CB 3.66Å; I405-V409 HydrophobicContact CG2-CG1 3.53Å; I405-V410 HydrophobicContact CB-CG2 4.36Å; I405-V410 HydrophobicContact CG2-CG2 3.83Å
406S73.7Confident69.3Low9 Ų975.6 Ų75.66%0.06344%0.442CS..  trans-66.3147-175.160.30000109.8Y347 S404 N408 V409 V410Y347-S406 WeakPolarHBondContact OH-CA 3.33Å; Y347-S406 WeakPolarHBondContact OH-CB 3.49Å; Y347-S406 PolarHBondContact OH-N 3.16Å; S404-S406 PolarHBondContact O-N 2.91Å; S406-N408 PolarHBondContact O-N 3.41Å; S406-N408 VanDerWaalsContact O-N 3.12Å; S406-V409 PolarHBondContact O-N 3.38Å; S406-V409 VanDerWaalsContact OG-CG2 3.23Å; S406-V409 WeakPolarHBondContact OG-CG2 3.36Å; S406-V410 PolarHBondContact O-N 2.82Å; S406-V410 VanDerWaalsContact O-N 3.13Å
407T84Confident71.3Confident89 Ų8976.5 Ų76.555%0.54644%0.441SS..Hα-helixtrans-50.8-40.4178.7-48.60000111.8V409 V410 E411 S477T407-V409 VanDerWaalsContact C-N 3.32Å; T407-V409 PolarHBondContact O-N 2.85Å; T407-V410 WeakPolarHBondContact O-CB 3.38Å; T407-V410 PolarHBondContact O-N 3.46Å; T407-E411 WeakPolarHBondContact O-CG 3.46Å; T407-E411 PolarHBondContact O-N 2.9Å; T407-S477 WeakPolarHBondContact CG2-OG 3.45Å
408N86.3Confident73.4Confident12 Ų1274.5 Ų74.56%0.06443%0.429CS..Hα-helixtrans-63.4-35.4180-51.816.3000112.8G352 L353 Y355 L358 S406 A412 S477G352-N408 WeakPolarHBondContact CA-ND2 3.27Å; G352-N408 PolarHBondContact N-ND2 3.33Å; G352-N408 VanDerWaalsContact N-ND2 3.16Å; L353-N408 PolarHBondContact N-ND2 3.24Å; L353-N408 WeakPolarHBondContact O-CB 3.38Å; L353-N408 PolarHBondContact O-ND2 2.83Å; Y355-N408 WeakPolarHBondContact CB-O 3.48Å; L358-N408 HydrophobicContact CD1-CB 4.26Å; S406-N408 PolarHBondContact O-N 3.41Å; S406-N408 VanDerWaalsContact O-N 3.12Å; N408-A412 WeakPolarHBondContact O-CB 3.45Å; N408-A412 PolarHBondContact O-N 2.93Å; N408-S477 PolarHBondContact ND2-O 3.29Å; N408-S477 WeakPolarHBondContact OD1-CB 3.25Å; N408-S477 PolarHBondContact OD1-O 3.37Å
409V84.2Confident75.5Confident2 Ų274.7 Ų74.71%0.01242%0.422CS..Hα-helixtrans-72.3-40.4175.8171.70000110.4L358 V394 I405 S406 T407 E411 A412 L413L358-V409 HydrophobicContact CD1-CG2 3.81Å; V394-V409 HydrophobicContact CB-CG1 4.33Å; V394-V409 HydrophobicContact CG1-CG1 4.09Å; V394-V409 HydrophobicContact CG1-CG2 4.04Å; V394-V409 HydrophobicContact CG2-CB 4.4Å; V394-V409 HydrophobicContact CG2-CG1 3.8Å; V394-V409 HydrophobicContact CG2-CG2 3.66Å; I405-V409 HydrophobicContact CG2-CB 3.66Å; I405-V409 HydrophobicContact CG2-CG1 3.53Å; S406-V409 PolarHBondContact O-N 3.38Å; S406-V409 VanDerWaalsContact OG-CG2 3.23Å; S406-V409 WeakPolarHBondContact OG-CG2 3.36Å; T407-V409 VanDerWaalsContact C-N 3.32Å; T407-V409 PolarHBondContact O-N 2.85Å; V409-E411 VanDerWaalsContact C-N 3.3Å; V409-E411 PolarHBondContact O-N 3.05Å; V409-A412 WeakPolarHBondContact O-CB 3.43Å; V409-A412 PolarHBondContact O-N 2.94Å; V409-A412 VanDerWaalsContact O-N 3.13Å; V409-L413 HydrophobicContact CG1-CD1 4.09Å; V409-L413 HydrophobicContact CG1-CG 4.44Å; V409-L413 WeakPolarHBondContact O-CG 3.28Å; V409-L413 PolarHBondContact O-N 2.85Å
410V87.7Confident77.7Confident80 Ų8064.7 Ų64.749%0.48539%0.386SS..Hα-helixtrans-60.3-44.3174.2179.50000110.3I405 S406 T407 A412 L413 A414I405-V410 HydrophobicContact CB-CG2 4.36Å; I405-V410 HydrophobicContact CG2-CG2 3.83Å; S406-V410 PolarHBondContact O-N 2.82Å; S406-V410 VanDerWaalsContact O-N 3.13Å; T407-V410 WeakPolarHBondContact O-CB 3.38Å; T407-V410 PolarHBondContact O-N 3.46Å; V410-A412 VanDerWaalsContact C-N 3.34Å; V410-A412 PolarHBondContact O-N 3.35Å; V410-L413 PolarHBondContact O-N 3.49Å; V410-A414 WeakPolarHBondContact O-CB 3.18Å; V410-A414 PolarHBondContact O-N 3.47Å
411E91.2Very high79.7Confident49 Ų4964.8 Ų64.823%0.22938%0.382CS..Hα-helixtrans-59.4-42.3172.5-74176.5-16500111.9Y355 T407 V409 A414 A415 M476 S477Y355-E411 HydrophobicContact CD1-CB 4.18Å; Y355-E411 HydrophobicContact CG-CB 4.28Å; T407-E411 WeakPolarHBondContact O-CG 3.46Å; T407-E411 PolarHBondContact O-N 2.9Å; V409-E411 VanDerWaalsContact C-N 3.3Å; V409-E411 PolarHBondContact O-N 3.05Å; E411-A414 PolarHBondContact O-N 3.33Å; E411-A415 WeakPolarHBondContact O-CB 3.45Å; E411-A415 PolarHBondContact O-N 2.8Å; E411-M476 WeakPolarHBondContact OE2-CA 3.44Å; E411-S477 VanDerWaalsContact OE1-CB 3.28Å; E411-S477 WeakPolarHBondContact OE1-CB 3.39Å; E411-S477 PolarHBondContact OE1-N 2.82Å; E411-S477 PolarHBondContact OE1-OG 3.4Å; E411-S477 PolarHBondContact OE2-N 3.23Å
412A91.6Very high81.3Confident0 Ų070.4 Ų70.40%039%0.389CS..Hα-helixtrans-62.5-46.4178.900000111.9L358 I359 L390 N408 V409 V410 A414 A415 L416L358-A412 HydrophobicContact CB-CB 4.14Å; L358-A412 HydrophobicContact CD1-CB 4.11Å; I359-A412 HydrophobicContact CG1-CB 4.17Å; L390-A412 HydrophobicContact CD2-CB 3.82Å; N408-A412 WeakPolarHBondContact O-CB 3.45Å; N408-A412 PolarHBondContact O-N 2.93Å; V409-A412 WeakPolarHBondContact O-CB 3.43Å; V409-A412 PolarHBondContact O-N 2.94Å; V409-A412 VanDerWaalsContact O-N 3.13Å; V410-A412 VanDerWaalsContact C-N 3.34Å; V410-A412 PolarHBondContact O-N 3.35Å; A412-A414 VanDerWaalsContact C-N 3.33Å; A412-A414 PolarHBondContact O-N 3Å; A412-A415 PolarHBondContact O-N 3.34Å; A412-L416 WeakPolarHBondContact O-CB 3.22Å; A412-L416 PolarHBondContact O-N 3.14Å
413L90.2Very high83.3Confident41 Ų4169.9 Ų69.922%0.21538%0.379CS..Hα-helixtrans-63.7-39.8177.4-70.1168000111.5K387 L390 E391 V409 V410K387-L413 HydrophobicContact CG-CD2 3.77Å; L390-L413 HydrophobicContact CD2-CD2 3.77Å; L390-L413 HydrophobicContact CD2-CG 4.12Å; L390-L413 HydrophobicContact CG-CD2 4.13Å; E391-L413 HydrophobicContact CG-CD1 4.42Å; E391-L413 HydrophobicContact CG-CD2 3.92Å; V409-L413 HydrophobicContact CG1-CD1 4.09Å; V409-L413 HydrophobicContact CG1-CG 4.44Å; V409-L413 WeakPolarHBondContact O-CG 3.28Å; V409-L413 PolarHBondContact O-N 2.85Å; V410-L413 PolarHBondContact O-N 3.49Å
414A91.8Very high85.1Confident82 Ų8270.4 Ų70.468%0.67838%0.382SS*.Hα-helixtrans-69.7-35.7177.300000113V410 E411 A412V410-A414 WeakPolarHBondContact O-CB 3.18Å; V410-A414 PolarHBondContact O-N 3.47Å; E411-A414 PolarHBondContact O-N 3.33Å; A412-A414 VanDerWaalsContact C-N 3.33Å; A412-A414 PolarHBondContact O-N 3Å
415A92.2Very high86.8Confident19 Ų1966.5 Ų66.516%0.15735%0.353CS..Hα-helixtrans-85-16.5-178.500000113.8Y355 I359 E411 A412 N417 K418 C419Y355-A415 HydrophobicContact CD2-CB 3.79Å; Y355-A415 HydrophobicContact CE2-CB 3.47Å; Y355-A415 VanDerWaalsContact CE2-CB 3.47Å; I359-A415 HydrophobicContact CD1-CB 4.37Å; E411-A415 WeakPolarHBondContact O-CB 3.45Å; E411-A415 PolarHBondContact O-N 2.8Å; A412-A415 PolarHBondContact O-N 3.34Å; A415-N417 PolarHBondContact O-N 3.28Å; A415-K418 PolarHBondContact O-N 3.4Å; A415-K418 VanDerWaalsContact O-N 3.09Å; A415-C419 PolarHBondContact O-N 3.47Å; A415-C419 PolarHBondContact O-SG 3.26Å
416L91.8Very high88Confident1 Ų164 Ų641%0.00534%0.343CS..Hα-helixtrans-50.5-51.9-170.6-172.870.6000113.2I359 L386 K387 A412 K418 C419 V420I359-L416 HydrophobicContact CB-CD1 4.45Å; I359-L416 HydrophobicContact CD1-CD1 4.37Å; I359-L416 HydrophobicContact CG1-CD1 3.98Å; I359-L416 HydrophobicContact CG2-CD1 3.83Å; L386-L416 HydrophobicContact CD2-CD1 3.86Å; L386-L416 HydrophobicContact CG-CD1 4.1Å; L386-L416 HydrophobicContact CG-CD2 4.42Å; K387-L416 HydrophobicContact CB-CD2 3.58Å; K387-L416 HydrophobicContact CG-CD2 4.06Å; A412-L416 WeakPolarHBondContact O-CB 3.22Å; A412-L416 PolarHBondContact O-N 3.14Å; L416-K418 VanDerWaalsContact C-N 3.31Å; L416-K418 PolarHBondContact O-N 3.2Å; L416-C419 PolarHBondContact O-N 3.41Å; L416-C419 VanDerWaalsContact O-N 3.1Å; L416-V420 HydrophobicContact CD1-CG2 4.43Å; L416-V420 HydrophobicContact CG-CG2 4.49Å; L416-V420 WeakPolarHBondContact O-CG2 3.16Å; L416-V420 PolarHBondContact O-N 2.97Å
417N90.1Very high89Confident96 Ų9670.9 Ų70.951%0.51337%0.374SS..Hα-helixtrans-57.3-46.2-178.2-68.8-14.7000111.2V383 A415 C419 V420 E421V383-N417 VanDerWaalsContact CG1-OD1 3.24Å; V383-N417 WeakPolarHBondContact CG1-OD1 3.43Å; A415-N417 PolarHBondContact O-N 3.28Å; N417-C419 VanDerWaalsContact C-N 3.34Å; N417-C419 PolarHBondContact O-N 2.81Å; N417-V420 PolarHBondContact O-N 3.19Å; N417-E421 WeakPolarHBondContact O-CG 3.32Å; N417-E421 PolarHBondContact O-N 2.91Å
418K88.4Confident89.3Confident165 Ų16568 Ų6872%0.71736%0.356SS*.Hα-helixtrans-67.4-32.9178.6-173.4-179177.9177.80112.9A415 L416A415-K418 PolarHBondContact O-N 3.4Å; A415-K418 VanDerWaalsContact O-N 3.09Å; L416-K418 VanDerWaalsContact C-N 3.31Å; L416-K418 PolarHBondContact O-N 3.2Å
419C87.6Confident89.8Confident52 Ų5267.5 Ų67.535%0.35135%0.353SS..Hα-helixtrans-76-26.4179.8-73.30000113.2I359 A415 L416 N417I359-C419 HydrophobicContact CD1-CB 3.94Å; I359-C419 HydrophobicContact CG2-CB 4.37Å; A415-C419 PolarHBondContact O-N 3.47Å; A415-C419 PolarHBondContact O-SG 3.26Å; L416-C419 PolarHBondContact O-N 3.41Å; L416-C419 VanDerWaalsContact O-N 3.1Å; N417-C419 VanDerWaalsContact C-N 3.34Å; N417-C419 PolarHBondContact O-N 2.81Å
420V87.2Confident90.3Very high15 Ų1572.1 Ų72.19%0.09137%0.37CS..Hα-helixtrans-82.2-28.1178.2170.90000111.7P377 V383 L386 L416 N417 R422P377-V420 HydrophobicContact CB-CG1 4.07Å; P377-V420 HydrophobicContact CG-CB 4.47Å; P377-V420 HydrophobicContact CG-CG1 3.59Å; P377-V420 HydrophobicContact CG-CG2 3.98Å; P377-V420 WeakPolarHBondContact O-CG1 3.43Å; V383-V420 HydrophobicContact CG2-CG1 4.29Å; L386-V420 HydrophobicContact CD2-CG2 3.85Å; L416-V420 HydrophobicContact CD1-CG2 4.43Å; L416-V420 HydrophobicContact CG-CG2 4.49Å; L416-V420 WeakPolarHBondContact O-CG2 3.16Å; L416-V420 PolarHBondContact O-N 2.97Å; N417-V420 PolarHBondContact O-N 3.19Å; V420-R422 PolarHBondContact O-N 3.2Å
421E84.8Confident90.6Very high135 Ų13573 Ų7363%0.63137%0.372SS*.SBendtrans-53130.4175.7-78.3171.6-166.100111.6N417 S423N417-E421 WeakPolarHBondContact O-CG 3.32Å; N417-E421 PolarHBondContact O-N 2.91Å; E421-S423 PolarHBondContact O-N 3.45Å
422R82.4Confident90.8Very high187 Ų18770.8 Ų70.871%0.70636%0.362SS*.PPolyproline II helixtrans-64.6128.4177.4-170.9174.3-176.31610.2108.9V420 E424V420-R422 PolarHBondContact O-N 3.2Å; R422-E424 PolarHBondContact O-N 3.49Å
423S85.9Confident91Very high90 Ų9071 Ų7163%0.62936%0.364SS*.PPolyproline II helixtrans-67.2117.6174.6-52.20000110.3E421E421-S423 PolarHBondContact O-N 3.45Å
424E88.9Confident91.2Very high160 Ų16076.1 Ų76.175%0.74838%0.384SS*.  trans-116.8156.4177.5-66.9-175.3176.100111.2R422R422-E424 PolarHBondContact O-N 3.49Å
425I94.4Very high91.3Very high13 Ų1373.4 Ų73.47%0.06736%0.358CS..  trans-77.1125.8175.3-56.6-171.4000108.3V429 W430 L433 V459 G465 L467I425-V429 HydrophobicContact CG2-CB 3.75Å; I425-V429 HydrophobicContact CG2-CG1 3.86Å; I425-W430 HydrophobicContact CB-CZ2 4.37Å; I425-W430 HydrophobicContact CD1-CH2 4.4Å; I425-W430 HydrophobicContact CD1-CZ2 4.02Å; I425-W430 HydrophobicContact CG1-CZ2 4.46Å; I425-W430 HydrophobicContact CG2-CD2 4.4Å; I425-W430 HydrophobicContact CG2-CG 4.25Å; I425-W430 VanDerWaalsContact O-CD1 3.25Å; I425-W430 PolarHBondContact O-NE1 2.91Å; I425-L433 HydrophobicContact CD1-CD1 4.33Å; I425-L433 HydrophobicContact CG2-CD1 4.44Å; I425-V459 HydrophobicContact CD1-CG1 3.64Å; I425-V459 HydrophobicContact CD1-CG2 4.18Å; I425-G465 WeakPolarHBondContact CD1-O 3.26Å; I425-L467 HydrophobicContact CD1-CD2 4.14Å; I425-L467 HydrophobicContact CD1-CG 4.31Å; I425-L467 HydrophobicContact CG1-CD2 4.43Å; I425-L467 HydrophobicContact CG1-CG 4.09Å; I425-L467 HydrophobicContact CG2-CD1 4.35Å; I425-L467 HydrophobicContact CG2-CD2 4.33Å; I425-L467 HydrophobicContact CG2-CG 4.34Å
426P94.7Very high91.4Very high46 Ų4676.6 Ų76.630%0.29938%0.377SS..  trans-57.8145.6177.3-24.734.3000112.6N428 V429 W430 A534P426-N428 VanDerWaalsContact C-N 3.28Å; P426-N428 VanDerWaalsContact CB-OD1 3.29Å; P426-N428 WeakPolarHBondContact CB-OD1 3.46Å; P426-N428 PolarHBondContact O-N 3.15Å; P426-V429 HydrophobicContact CB-CG2 4.25Å; P426-V429 HydrophobicContact CG-CG2 4.41Å; P426-V429 WeakPolarHBondContact O-CB 3.43Å; P426-V429 PolarHBondContact O-N 3.03Å; P426-W430 PolarHBondContact O-N 3.5Å; P426-W430 VanDerWaalsContact O-N 3.09Å; P426-A534 HydrophobicContact CG-CB 4.48Å
427E93.4Very high91.4Very high154 Ų15477.6 Ų77.672%0.7238%0.384SS*.Hα-helixtrans-54.1-42.6-177.8-174.1175.3-160.600112.8V429 W430 D431E427-V429 PolarHBondContact O-N 3.35Å; E427-V429 VanDerWaalsContact O-N 3.15Å; E427-W430 WeakPolarHBondContact O-CA 3.42Å; E427-W430 WeakPolarHBondContact O-CB 3.33Å; E427-W430 PolarHBondContact O-N 2.88Å; E427-D431 PolarHBondContact O-N 3.07Å
428N91.7Very high91.6Very high30 Ų3073 Ų7316%0.1636%0.36CS..Hα-helixtrans-60.3-28.3177.662.2-84.3000113.6P426 V432 L536 R537P426-N428 VanDerWaalsContact C-N 3.28Å; P426-N428 VanDerWaalsContact CB-OD1 3.29Å; P426-N428 WeakPolarHBondContact CB-OD1 3.46Å; P426-N428 PolarHBondContact O-N 3.15Å; N428-V432 WeakPolarHBondContact O-CG2 3.32Å; N428-L536 PolarHBondContact ND2-O 3.13Å; N428-R537 HydrophobicContact CB-CG 4.18Å
429V95.6Very high91.7Very high0 Ų071.9 Ų71.90%036%0.356CS..Hα-helixtrans-82.3-37.1175.9-175.50000110I425 P426 E427 D431 V432 L433 L467 A533 A534 L536I425-V429 HydrophobicContact CG2-CB 3.75Å; I425-V429 HydrophobicContact CG2-CG1 3.86Å; P426-V429 HydrophobicContact CB-CG2 4.25Å; P426-V429 HydrophobicContact CG-CG2 4.41Å; P426-V429 WeakPolarHBondContact O-CB 3.43Å; P426-V429 PolarHBondContact O-N 3.03Å; E427-V429 PolarHBondContact O-N 3.35Å; E427-V429 VanDerWaalsContact O-N 3.15Å; V429-D431 VanDerWaalsContact C-N 3.28Å; V429-D431 PolarHBondContact O-N 2.93Å; V429-V432 WeakPolarHBondContact O-CB 3.4Å; V429-V432 PolarHBondContact O-N 3.27Å; V429-V432 VanDerWaalsContact O-N 3.11Å; V429-L433 HydrophobicContact CG1-CD1 4.11Å; V429-L433 HydrophobicContact CG1-CG 4.25Å; V429-L433 WeakPolarHBondContact O-CG 3.34Å; V429-L433 PolarHBondContact O-N 3.44Å; V429-L467 HydrophobicContact CG1-CD1 4.4Å; V429-L467 HydrophobicContact CG1-CD2 4.14Å; V429-A533 VanDerWaalsContact CG2-O 3.26Å; V429-A533 WeakPolarHBondContact CG2-O 3.49Å; V429-A534 WeakPolarHBondContact CG2-O 3.36Å; V429-L536 HydrophobicContact CG2-CB 4.43Å
430W95.3Very high91.8Very high100 Ų10072.1 Ų72.138%0.37935%0.354SS..Hα-helixtrans-56.9-42.1171.9-88.2122.3000112.4I425 P426 E427 V432 L433 K434I425-W430 HydrophobicContact CB-CZ2 4.37Å; I425-W430 HydrophobicContact CD1-CH2 4.4Å; I425-W430 HydrophobicContact CD1-CZ2 4.02Å; I425-W430 HydrophobicContact CG1-CZ2 4.46Å; I425-W430 HydrophobicContact CG2-CD2 4.4Å; I425-W430 HydrophobicContact CG2-CG 4.25Å; I425-W430 VanDerWaalsContact O-CD1 3.25Å; I425-W430 PolarHBondContact O-NE1 2.91Å; P426-W430 PolarHBondContact O-N 3.5Å; P426-W430 VanDerWaalsContact O-N 3.09Å; E427-W430 WeakPolarHBondContact O-CA 3.42Å; E427-W430 WeakPolarHBondContact O-CB 3.33Å; E427-W430 PolarHBondContact O-N 2.88Å; W430-V432 PolarHBondContact O-N 3.27Å; W430-L433 HydrophobicContact CE3-CB 4.38Å; W430-L433 HydrophobicContact CE3-CD1 4.39Å; W430-L433 PolarHBondContact O-N 3.1Å; W430-K434 WeakPolarHBondContact O-CB 3.35Å; W430-K434 VanDerWaalsContact O-CG 3.28Å; W430-K434 WeakPolarHBondContact O-CG 3.49Å; W430-K434 PolarHBondContact O-N 3.38Å
431D94Very high91.7Very high97 Ų9771.8 Ų71.852%0.51935%0.352SS..Hα-helixtrans-60.6-36176.4-68.7-24.1000112.5E427 V429 N435E427-D431 PolarHBondContact O-N 3.07Å; V429-D431 VanDerWaalsContact C-N 3.28Å; V429-D431 PolarHBondContact O-N 2.93Å; D431-N435 PolarHBondContact O-N 3.09Å
432V95.5Very high91.7Very high4 Ų471.1 Ų71.12%0.02435%0.349CS..Hα-helixtrans-70.4-45.4175177.70000110.7N428 V429 W430 K434 N435 A438 F448 W449 V452 V538N428-V432 WeakPolarHBondContact O-CG2 3.32Å; V429-V432 WeakPolarHBondContact O-CB 3.4Å; V429-V432 PolarHBondContact O-N 3.27Å; V429-V432 VanDerWaalsContact O-N 3.11Å; W430-V432 PolarHBondContact O-N 3.27Å; V432-K434 VanDerWaalsContact C-N 3.31Å; V432-K434 PolarHBondContact O-N 3.03Å; V432-N435 WeakPolarHBondContact O-CB 3.24Å; V432-N435 PolarHBondContact O-N 3.45Å; V432-A438 WeakPolarHBondContact O-CB 3.34Å; V432-F448 HydrophobicContact CG1-CE1 4.3Å; V432-F448 HydrophobicContact CG1-CZ 4.02Å; V432-W449 HydrophobicContact CG1-CZ3 4.2Å; V432-V452 HydrophobicContact CG1-CB 4.41Å; V432-V452 HydrophobicContact CG1-CG1 3.75Å; V432-V452 HydrophobicContact CG1-CG2 3.67Å; V432-V538 HydrophobicContact CG1-CG2 4.29Å; V432-V538 HydrophobicContact CG2-CB 4.3Å; V432-V538 HydrophobicContact CG2-CG2 3.86Å
433L95.6Very high91.9Very high5 Ų567.4 Ų67.43%0.02634%0.343CS..Hα-helixtrans-70.2-23.2-179.6-65.8176000114I425 V429 W430 V452 L455 K456I425-L433 HydrophobicContact CD1-CD1 4.33Å; I425-L433 HydrophobicContact CG2-CD1 4.44Å; V429-L433 HydrophobicContact CG1-CD1 4.11Å; V429-L433 HydrophobicContact CG1-CG 4.25Å; V429-L433 WeakPolarHBondContact O-CG 3.34Å; V429-L433 PolarHBondContact O-N 3.44Å; W430-L433 HydrophobicContact CE3-CB 4.38Å; W430-L433 HydrophobicContact CE3-CD1 4.39Å; W430-L433 PolarHBondContact O-N 3.1Å; L433-V452 HydrophobicContact CD2-CG1 4.3Å; L433-L455 HydrophobicContact CD2-CD2 4.32Å; L433-L455 HydrophobicContact CD2-CG 4.33Å; L433-K456 HydrophobicContact CD2-CB 3.9Å; L433-K456 PolarHBondContact O-NZ 3.34Å
434K94.9Very high91.9Very high148 Ų14866.3 Ų66.364%0.64333%0.33SS*.THydrogen-bonded Turntrans-84.2-12.3174.1-73.7173.2-176.31710113.1W430 V432W430-K434 WeakPolarHBondContact O-CB 3.35Å; W430-K434 VanDerWaalsContact O-CG 3.28Å; W430-K434 WeakPolarHBondContact O-CG 3.49Å; W430-K434 PolarHBondContact O-N 3.38Å; V432-K434 VanDerWaalsContact C-N 3.31Å; V432-K434 PolarHBondContact O-N 3.03Å
435N93.9Very high91.7Very high24 Ų2460.3 Ų60.313%0.12831%0.305CS..SBendtrans-62.9139.3180-168.4-63.6000110.6D431 V432 C437 A438 W449D431-N435 PolarHBondContact O-N 3.09Å; V432-N435 WeakPolarHBondContact O-CB 3.24Å; V432-N435 PolarHBondContact O-N 3.45Å; N435-C437 PolarHBondContact O-N 2.95Å; N435-C437 VanDerWaalsContact O-N 3.13Å; N435-C437 WeakPolarHBondContact OD1-CB 3.47Å; N435-C437 PolarHBondContact OD1-N 3.37Å; N435-C437 PolarHBondContact OD1-SG 3.13Å; N435-A438 WeakPolarHBondContact O-CA 3.35Å; N435-A438 VanDerWaalsContact O-CB 3.23Å; N435-A438 WeakPolarHBondContact O-CB 3.39Å; N435-A438 PolarHBondContact O-N 3.35Å; N435-W449 HydrophobicContact CB-CH2 3.74Å; N435-W449 HydrophobicContact CB-CZ3 3.75Å; N435-W449 WeakPolarHBondContact ND2-CH2 3.09Å
436P93.9Very high91.5Very high87 Ų8764 Ų6457%0.56533%0.325SS*.Hα-helixtrans-51.7-36.3175.5-29.435.9000114.1A438 H439 D440 L443P436-A438 PolarHBondContact O-N 2.87Å; P436-H439 PolarHBondContact O-N 3.41Å; P436-H439 VanDerWaalsContact O-N 3.08Å; P436-D440 PolarHBondContact O-N 3.34Å; P436-L443 HydrophobicContact CB-CD1 3.87Å
437C92Very high91.3Very high22 Ų2263.8 Ų63.815%0.14933%0.325CS..Hα-helixtrans-68-19.6178-56.30000113.2N435 D440 N444 W449N435-C437 PolarHBondContact O-N 2.95Å; N435-C437 VanDerWaalsContact O-N 3.13Å; N435-C437 WeakPolarHBondContact OD1-CB 3.47Å; N435-C437 PolarHBondContact OD1-N 3.37Å; N435-C437 PolarHBondContact OD1-SG 3.13Å; C437-D440 CarbonylContact O-C 3.56Å; C437-N444 HydrophobicContact CB-CB 4.48Å; C437-W449 HydrophobicContact CB-CB 4.39Å; C437-W449 HydrophobicContact CB-CD2 3.38Å; C437-W449 HydrophobicContact CB-CE3 3.51Å; C437-W449 HydrophobicContact CB-CG 3.79Å; C437-W449 HydrophobicContact CB-CH2 4.28Å; C437-W449 HydrophobicContact CB-CZ2 4.16Å; C437-W449 HydrophobicContact CB-CZ3 3.98Å
438A93.1Very high91.3Very high0 Ų059.1 Ų59.10%030%0.302CS..Hα-helixtrans-77.2-30.3172.400000111.9V432 N435 P436 W449 V452 H453 K456V432-A438 WeakPolarHBondContact O-CB 3.34Å; N435-A438 WeakPolarHBondContact O-CA 3.35Å; N435-A438 VanDerWaalsContact O-CB 3.23Å; N435-A438 WeakPolarHBondContact O-CB 3.39Å; N435-A438 PolarHBondContact O-N 3.35Å; P436-A438 PolarHBondContact O-N 2.87Å; A438-W449 HydrophobicContact CB-CZ3 4.43Å; A438-V452 HydrophobicContact CB-CG1 3.45Å; A438-V452 VanDerWaalsContact CB-CG1 3.45Å; A438-H453 WeakPolarHBondContact O-CA 3.47Å; A438-H453 WeakPolarHBondContact O-CB 3.29Å; A438-H453 PolarHBondContact O-ND1 2.87Å; A438-K456 HydrophobicContact CB-CD 4.36Å
439H92Very high91.4Very high140 Ų14058.7 Ų58.765%0.64830%0.298SS*.Hα-helixtrans-79.7-45.8176.3-173.715.7000111.3P436 H453P436-H439 PolarHBondContact O-N 3.41Å; P436-H439 VanDerWaalsContact O-N 3.08Å; H439-H453 PolarHBondContact O-CE1 3.13Å; H439-H453 PolarHBondContact O-ND1 3.22Å; H439-H453 VanDerWaalsContact O-ND1 3.13Å
440D89.7Confident91.4Very high57 Ų5758.7 Ų58.731%0.30530%0.298SS..  trans-125.1101.8178.4-177.810.9000110.6P436 C437 Q442 L443P436-D440 PolarHBondContact O-N 3.34Å; C437-D440 CarbonylContact O-C 3.56Å; D440-Q442 PolarHBondContact O-N 2.96Å; D440-Q442 WeakPolarHBondContact OD1-CB 3.31Å; D440-Q442 WeakPolarHBondContact OD1-CG 3.23Å; D440-Q442 PolarHBondContact OD1-N 2.83Å; D440-L443 HydrophobicContact CB-CD1 4.26Å; D440-L443 HydrophobicContact CB-CG 4.25Å; D440-L443 WeakPolarHBondContact O-CB 3.47Å; D440-L443 PolarHBondContact O-N 2.96Å
441P85Confident91.4Very high8 Ų854.6 Ų54.65%0.05228%0.284CS..G310 helixtrans-71-8.5178.127.8-30.7000113L443 N444 C445 I450 H453 C508 L512P441-L443 PolarHBondContact O-N 3.3Å; P441-N444 CarbonylContact O-C 3.03Å; P441-N444 PolarHBondContact O-N 3.33Å; P441-N444 VanDerWaalsContact O-N 3.14Å; P441-N444 VanDerWaalsContact O-O 3.1Å; P441-C445 PolarHBondContact O-N 2.61Å; P441-I450 HydrophobicContact CB-CG1 4.27Å; P441-H453 HydrophobicContact CB-CB 4.27Å; P441-H453 HydrophobicContact CG-CB 4.03Å; P441-C508 WeakPolarHBondContact CG-SG 3.43Å; P441-L512 HydrophobicContact CB-CD1 4.48Å
442Q83.8Confident91.6Very high121 Ų12150 Ų5057%0.56526%0.259SS*.G310 helixtrans-63.8-27.1171.1-64.3-179.212.800112.1D440 N444 L512D440-Q442 PolarHBondContact O-N 2.96Å; D440-Q442 WeakPolarHBondContact OD1-CB 3.31Å; D440-Q442 WeakPolarHBondContact OD1-CG 3.23Å; D440-Q442 PolarHBondContact OD1-N 2.83Å; Q442-N444 PolarHBondContact O-N 3.3Å; Q442-L512 HydrophobicContact CB-CD2 4.29Å; Q442-L512 HydrophobicContact CG-CD2 3.41Å; Q442-L512 VanDerWaalsContact CG-CD2 3.41Å
443L86.4Confident91.6Very high110 Ų11051.1 Ų51.158%0.57626%0.264SS*.G310 helixtrans-64.6-25.3175.8-62.6175.9000112.3P436 D440 P441P436-L443 HydrophobicContact CB-CD1 3.87Å; D440-L443 HydrophobicContact CB-CD1 4.26Å; D440-L443 HydrophobicContact CB-CG 4.25Å; D440-L443 WeakPolarHBondContact O-CB 3.47Å; D440-L443 PolarHBondContact O-N 2.96Å; P441-L443 PolarHBondContact O-N 3.3Å
444N85.8Confident91.7Very high67 Ų6750.9 Ų50.936%0.35826%0.263SS..  trans-158.896.3175.8-170.5-33.8000110.7C437 P441 Q442 N446 W449C437-N444 HydrophobicContact CB-CB 4.48Å; P441-N444 CarbonylContact O-C 3.03Å; P441-N444 PolarHBondContact O-N 3.33Å; P441-N444 VanDerWaalsContact O-N 3.14Å; P441-N444 VanDerWaalsContact O-O 3.1Å; Q442-N444 PolarHBondContact O-N 3.3Å; N444-N446 PolarHBondContact O-N 3.4Å; N444-N446 WeakPolarHBondContact OD1-CB 3.48Å; N444-N446 PolarHBondContact OD1-N 2.94Å; N444-W449 HydrophobicContact CB-CG 4.25Å; N444-W449 WeakPolarHBondContact O-CB 3.33Å
445C84.8Confident91.8Very high33 Ų3343.9 Ų43.922%0.22323%0.232CC..  trans-71.516.5-175.5-56.80000115P441 C515 P519P441-C445 PolarHBondContact O-N 2.61Å; C445-C515 VanDerWaalsContact SG-SG 3.63Å; C445-P519 WeakPolarHBondContact O-CD 3.33Å; C445-P519 WeakPolarHBondContact O-CG 3.45Å
446N89.5Confident92Very high90 Ų9044.3 Ų44.348%0.48123%0.233SC..SBendtrans-64.8141.8173.7-175.8-44.1000110.7N444 F448 W449 I450N444-N446 PolarHBondContact O-N 3.4Å; N444-N446 WeakPolarHBondContact OD1-CB 3.48Å; N444-N446 PolarHBondContact OD1-N 2.94Å; N446-F448 PolarHBondContact O-N 3.28Å; N446-F448 PolarHBondContact OD1-N 3.37Å; N446-W449 PolarHBondContact O-N 3.34Å; N446-I450 PolarHBondContact O-N 2.99Å
447S91.7Very high92.1Very high42 Ų4241.1 Ų41.129%0.29421%0.213SC..Hα-helixtrans-45.4-37.9175.4-50.50000113.9L451 P519S447-L451 WeakPolarHBondContact O-CB 3.44Å; S447-L451 WeakPolarHBondContact O-CD1 3.42Å; S447-L451 VanDerWaalsContact O-CG 3.28Å; S447-L451 WeakPolarHBondContact O-CG 3.44Å; S447-L451 PolarHBondContact O-N 2.64Å; S447-P519 WeakPolarHBondContact OG-CB 3.41Å; S447-P519 WeakPolarHBondContact OG-CG 3.12Å
448F93.2Very high92.4Very high56 Ų5640.3 Ų40.325%0.24621%0.206CC..Hα-helixtrans-59.3-48.3177.5175.8-96.8000112.6V432 N446 L451 V452 F529 L536 V538V432-F448 HydrophobicContact CG1-CE1 4.3Å; V432-F448 HydrophobicContact CG1-CZ 4.02Å; N446-F448 PolarHBondContact O-N 3.28Å; N446-F448 PolarHBondContact OD1-N 3.37Å; F448-L451 WeakPolarHBondContact O-CB 3.31Å; F448-L451 PolarHBondContact O-N 3.4Å; F448-V452 HydrophobicContact CD1-CG2 4.15Å; F448-V452 HydrophobicContact CD2-CG2 4.48Å; F448-V452 HydrophobicContact CE1-CG2 3.69Å; F448-V452 HydrophobicContact CE2-CG2 4.08Å; F448-V452 HydrophobicContact CZ-CG2 3.66Å; F448-V452 VanDerWaalsContact O-CG2 3.29Å; F448-V452 WeakPolarHBondContact O-CG2 3.45Å; F448-V452 PolarHBondContact O-N 2.9Å; F448-F529 HydrophobicContact CD2-CE2 4.26Å; F448-F529 HydrophobicContact CE2-CE2 4.26Å; F448-L536 HydrophobicContact CE2-CD2 4.27Å; F448-V538 HydrophobicContact CE1-CG2 3.47Å; F448-V538 VanDerWaalsContact CE1-CG2 3.47Å; F448-V538 HydrophobicContact CZ-CG2 3.6Å
449W94.5Very high92.6Very high21 Ų2140.6 Ų40.68%0.0821%0.208CC..Hα-helixtrans-74.2-31.8-177.3-70.2115.5000112.5V432 N435 C437 A438 N444 N446 L451 V452 H453 V538V432-W449 HydrophobicContact CG1-CZ3 4.2Å; N435-W449 HydrophobicContact CB-CH2 3.74Å; N435-W449 HydrophobicContact CB-CZ3 3.75Å; N435-W449 WeakPolarHBondContact ND2-CH2 3.09Å; C437-W449 HydrophobicContact CB-CB 4.39Å; C437-W449 HydrophobicContact CB-CD2 3.38Å; C437-W449 HydrophobicContact CB-CE3 3.51Å; C437-W449 HydrophobicContact CB-CG 3.79Å; C437-W449 HydrophobicContact CB-CH2 4.28Å; C437-W449 HydrophobicContact CB-CZ2 4.16Å; C437-W449 HydrophobicContact CB-CZ3 3.98Å; A438-W449 HydrophobicContact CB-CZ3 4.43Å; N444-W449 HydrophobicContact CB-CG 4.25Å; N444-W449 WeakPolarHBondContact O-CB 3.33Å; N446-W449 PolarHBondContact O-N 3.34Å; W449-L451 VanDerWaalsContact C-N 3.34Å; W449-V452 HydrophobicContact CE3-CB 4.16Å; W449-V452 HydrophobicContact CE3-CG1 4.08Å; W449-V452 HydrophobicContact CE3-CG2 4.42Å; W449-V452 HydrophobicContact CZ3-CG1 4.18Å; W449-V452 PolarHBondContact O-N 3.24Å; W449-H453 VanDerWaalsContact O-CB 3.3Å; W449-H453 WeakPolarHBondContact O-CB 3.49Å; W449-H453 PolarHBondContact O-N 2.95Å; W449-V538 HydrophobicContact CH2-CG1 4.45Å; W449-V538 HydrophobicContact CH2-CG2 3.77Å; W449-V538 HydrophobicContact CZ2-CG1 4.25Å; W449-V538 HydrophobicContact CZ2-CG2 4Å
450I94.3Very high92.7Very high0 Ų039.4 Ų39.40%020%0.203CC..Hα-helixtrans-61.2-44.8169.8-64.1169.4000110.4P441 N446 H453 A454 V505 C508 I509 L512 P519 I521P441-I450 HydrophobicContact CB-CG1 4.27Å; N446-I450 PolarHBondContact O-N 2.99Å; I450-H453 PolarHBondContact O-N 3.36Å; I450-A454 WeakPolarHBondContact O-CB 3.34Å; I450-A454 PolarHBondContact O-N 3.16Å; I450-V505 HydrophobicContact CG2-CG1 4.1Å; I450-C508 HydrophobicContact CG2-CB 4.29Å; I450-I509 HydrophobicContact CG2-CG1 4.23Å; I450-L512 HydrophobicContact CD1-CD1 3.76Å; I450-L512 HydrophobicContact CG1-CD1 3.82Å; I450-P519 HydrophobicContact CD1-CG 3.6Å; I450-I521 HydrophobicContact CB-CD1 3.87Å; I450-I521 HydrophobicContact CD1-CD1 4.37Å; I450-I521 HydrophobicContact CG2-CD1 3.64Å
451L96.8Very high93Very high15 Ų1541.5 Ų41.58%0.07921%0.214CC..Hα-helixtrans-65.1-41.4175.9-76.2164.1000112.5S447 F448 W449 A454 L455 V505 I521 T526 F529S447-L451 WeakPolarHBondContact O-CB 3.44Å; S447-L451 WeakPolarHBondContact O-CD1 3.42Å; S447-L451 VanDerWaalsContact O-CG 3.28Å; S447-L451 WeakPolarHBondContact O-CG 3.44Å; S447-L451 PolarHBondContact O-N 2.64Å; F448-L451 WeakPolarHBondContact O-CB 3.31Å; F448-L451 PolarHBondContact O-N 3.4Å; W449-L451 VanDerWaalsContact C-N 3.34Å; L451-A454 PolarHBondContact O-N 2.98Å; L451-L455 WeakPolarHBondContact O-CB 3.4Å; L451-L455 PolarHBondContact O-N 3.4Å; L451-V505 HydrophobicContact CD2-CG2 3.86Å; L451-I521 HydrophobicContact CD2-CG2 4.03Å; L451-I521 HydrophobicContact CG-CD1 4.24Å; L451-I521 HydrophobicContact CG-CG2 4.36Å; L451-T526 HydrophobicContact CD2-CG2 4.13Å; L451-F529 HydrophobicContact CB-CD1 3.96Å; L451-F529 HydrophobicContact CB-CD2 3.94Å; L451-F529 HydrophobicContact CB-CE1 3.82Å; L451-F529 HydrophobicContact CB-CE2 3.79Å; L451-F529 HydrophobicContact CB-CG 4.02Å; L451-F529 HydrophobicContact CB-CZ 3.73Å; L451-F529 HydrophobicContact CD1-CB 4.2Å; L451-F529 HydrophobicContact CD1-CD2 3.83Å; L451-F529 HydrophobicContact CD1-CE2 4.37Å; L451-F529 HydrophobicContact CD1-CG 4.03Å; L451-F529 HydrophobicContact CD2-CB 4.2Å; L451-F529 HydrophobicContact CD2-CD1 4.22Å; L451-F529 HydrophobicContact CD2-CG 4.15Å; L451-F529 HydrophobicContact CG-CD2 4.38Å; L451-F529 HydrophobicContact CG-CG 4.3Å
452V97.1Very high93.5Very high0 Ų046.3 Ų46.30%024%0.236CC..Hα-helixtrans-64.5-42.1176.1167.80000111.2V432 L433 A438 F448 W449 L455 K456 F529V432-V452 HydrophobicContact CG1-CB 4.41Å; V432-V452 HydrophobicContact CG1-CG1 3.75Å; V432-V452 HydrophobicContact CG1-CG2 3.67Å; L433-V452 HydrophobicContact CD2-CG1 4.3Å; A438-V452 HydrophobicContact CB-CG1 3.45Å; A438-V452 VanDerWaalsContact CB-CG1 3.45Å; F448-V452 HydrophobicContact CD1-CG2 4.15Å; F448-V452 HydrophobicContact CD2-CG2 4.48Å; F448-V452 HydrophobicContact CE1-CG2 3.69Å; F448-V452 HydrophobicContact CE2-CG2 4.08Å; F448-V452 HydrophobicContact CZ-CG2 3.66Å; F448-V452 VanDerWaalsContact O-CG2 3.29Å; F448-V452 WeakPolarHBondContact O-CG2 3.45Å; F448-V452 PolarHBondContact O-N 2.9Å; W449-V452 HydrophobicContact CE3-CB 4.16Å; W449-V452 HydrophobicContact CE3-CG1 4.08Å; W449-V452 HydrophobicContact CE3-CG2 4.42Å; W449-V452 HydrophobicContact CZ3-CG1 4.18Å; W449-V452 PolarHBondContact O-N 3.24Å; V452-L455 WeakPolarHBondContact O-CB 3.43Å; V452-L455 PolarHBondContact O-N 2.91Å; V452-K456 WeakPolarHBondContact O-CB 3.47Å; V452-K456 PolarHBondContact O-N 3.01Å; V452-F529 HydrophobicContact CG2-CE2 4.42Å; V452-F529 HydrophobicContact CG2-CZ 3.85Å
453H96.4Very high93.7Very high28 Ų2841 Ų4113%0.1321%0.213CC..Hα-helixtrans-61-48.1175.5178.374.6000111.1A438 H439 P441 W449 I450 L455 K456 C457A438-H453 WeakPolarHBondContact O-CA 3.47Å; A438-H453 WeakPolarHBondContact O-CB 3.29Å; A438-H453 PolarHBondContact O-ND1 2.87Å; H439-H453 PolarHBondContact O-CE1 3.13Å; H439-H453 PolarHBondContact O-ND1 3.22Å; H439-H453 VanDerWaalsContact O-ND1 3.13Å; P441-H453 HydrophobicContact CB-CB 4.27Å; P441-H453 HydrophobicContact CG-CB 4.03Å; W449-H453 VanDerWaalsContact O-CB 3.3Å; W449-H453 WeakPolarHBondContact O-CB 3.49Å; W449-H453 PolarHBondContact O-N 2.95Å; I450-H453 PolarHBondContact O-N 3.36Å; H453-L455 VanDerWaalsContact C-N 3.31Å; H453-L455 PolarHBondContact O-N 3.14Å; H453-K456 WeakPolarHBondContact O-CB 3.36Å; H453-K456 PolarHBondContact O-N 3.32Å; H453-K456 VanDerWaalsContact O-N 3.17Å; H453-C457 PolarHBondContact O-N 3Å; H453-C457 PolarHBondContact O-SG 3.19Å; H453-C457 VanDerWaalsContact O-SG 3.39Å
454A97Very high93.9Very high0 Ų042.3 Ų42.30%022%0.221CC..Hα-helixtrans-60.5-39.1175.500000112.9I450 L451 C457 F458 V501 V505I450-A454 WeakPolarHBondContact O-CB 3.34Å; I450-A454 PolarHBondContact O-N 3.16Å; L451-A454 PolarHBondContact O-N 2.98Å; A454-C457 PolarHBondContact O-N 3.27Å; A454-F458 PolarHBondContact O-N 3.49Å; A454-V501 HydrophobicContact CB-CG1 4.04Å; A454-V505 HydrophobicContact CB-CB 4.38Å; A454-V505 HydrophobicContact CB-CG2 3.47Å; A454-V505 VanDerWaalsContact CB-CG2 3.47Å
455L97.8Very high94.1Very high0 Ų041.1 Ų41.10%023%0.225CC..Hα-helixtrans-64.3-42.6174.1174.665.3000111.9L433 L451 V452 H453 F458 V459 L467 P468 F529 A533 L536L433-L455 HydrophobicContact CD2-CD2 4.32Å; L433-L455 HydrophobicContact CD2-CG 4.33Å; L451-L455 WeakPolarHBondContact O-CB 3.4Å; L451-L455 PolarHBondContact O-N 3.4Å; V452-L455 WeakPolarHBondContact O-CB 3.43Å; V452-L455 PolarHBondContact O-N 2.91Å; H453-L455 VanDerWaalsContact C-N 3.31Å; H453-L455 PolarHBondContact O-N 3.14Å; L455-F458 WeakPolarHBondContact O-CB 3.4Å; L455-F458 PolarHBondContact O-N 3.21Å; L455-V459 HydrophobicContact CD1-CG2 4.3Å; L455-V459 HydrophobicContact CG-CG2 4.5Å; L455-V459 VanDerWaalsContact O-CG2 3.3Å; L455-V459 WeakPolarHBondContact O-CG2 3.32Å; L455-V459 PolarHBondContact O-N 3.02Å; L455-L467 HydrophobicContact CD1-CD2 4.07Å; L455-L467 HydrophobicContact CD2-CD2 4.22Å; L455-L467 HydrophobicContact CG-CD2 4.42Å; L455-P468 HydrophobicContact CD1-CG 3.77Å; L455-F529 HydrophobicContact CB-CE1 3.99Å; L455-F529 HydrophobicContact CD2-CE1 3.87Å; L455-F529 HydrophobicContact CD2-CZ 4.34Å; L455-F529 HydrophobicContact CG-CE1 4.49Å; L455-A533 HydrophobicContact CD1-CB 4.41Å; L455-A533 HydrophobicContact CD2-CB 4.14Å; L455-L536 HydrophobicContact CD2-CD1 3.56Å
456K96.8Very high94.5Very high34 Ų3444.9 Ų44.915%0.14823%0.234CC..Hα-helixtrans-58.9-48175-176.5-179.5172.764.40110.7L433 A438 V452 H453 F458 V459 E460L433-K456 HydrophobicContact CD2-CB 3.9Å; L433-K456 PolarHBondContact O-NZ 3.34Å; A438-K456 HydrophobicContact CB-CD 4.36Å; V452-K456 WeakPolarHBondContact O-CB 3.47Å; V452-K456 PolarHBondContact O-N 3.01Å; H453-K456 WeakPolarHBondContact O-CB 3.36Å; H453-K456 PolarHBondContact O-N 3.32Å; H453-K456 VanDerWaalsContact O-N 3.17Å; K456-F458 VanDerWaalsContact C-N 3.3Å; K456-F458 PolarHBondContact O-N 3.12Å; K456-V459 PolarHBondContact O-N 3.39Å; K456-V459 VanDerWaalsContact O-N 3.17Å; K456-E460 WeakPolarHBondContact CE-OE1 3.41Å; K456-E460 HydrophobicContact CG-CG 4.5Å; K456-E460 WeakPolarHBondContact CG-OE1 3.46Å; K456-E460 IonicContact NZ-OE1 3.28Å; K456-E460 PolarHBondContact NZ-OE1 3.44Å; K456-E460 WeakPolarHBondContact O-CB 3.38Å; K456-E460 WeakPolarHBondContact O-CG 3.29Å; K456-E460 PolarHBondContact O-N 3.24Å
457C97Very high94.9Very high20 Ų2042.2 Ų42.214%0.13522%0.22CC..Hα-helixtrans-58.3-40.7175.4-69.40000112.3H453 A454 N461 Y504H453-C457 PolarHBondContact O-N 3Å; H453-C457 PolarHBondContact O-SG 3.19Å; H453-C457 VanDerWaalsContact O-SG 3.39Å; A454-C457 PolarHBondContact O-N 3.27Å; C457-N461 VanDerWaalsContact O-CB 3.29Å; C457-N461 WeakPolarHBondContact O-CB 3.49Å; C457-N461 PolarHBondContact O-N 2.85Å; C457-N461 PolarHBondContact O-ND2 3.16Å; C457-Y504 HydrophobicContact CB-CD1 3.75Å; C457-Y504 HydrophobicContact CB-CD2 3.99Å; C457-Y504 HydrophobicContact CB-CE1 3.89Å; C457-Y504 HydrophobicContact CB-CE2 4.11Å; C457-Y504 HydrophobicContact CB-CG 3.81Å
458F97.9Very high95.1Very high4 Ų440.6 Ų40.62%0.01821%0.209CC..Hα-helixtrans-61.5-52173171.4-89.4000111.5A454 L455 K456 E460 N461 E462 G463 R466 P468 D497 I500 V501A454-F458 PolarHBondContact O-N 3.49Å; L455-F458 WeakPolarHBondContact O-CB 3.4Å; L455-F458 PolarHBondContact O-N 3.21Å; K456-F458 VanDerWaalsContact C-N 3.3Å; K456-F458 PolarHBondContact O-N 3.12Å; F458-E460 VanDerWaalsContact C-N 3.28Å; F458-E460 PolarHBondContact O-N 2.88Å; F458-N461 PolarHBondContact O-N 3.48Å; F458-E462 HydrophobicContact CD2-CB 4.11Å; F458-E462 HydrophobicContact CE2-CB 4.35Å; F458-E462 CarbonylContact O-C 3.56Å; F458-E462 PolarHBondContact O-N 2.86Å; F458-G463 PolarHBondContact O-N 3.47Å; F458-R466 WeakPolarHBondContact CE1-O 3.44Å; F458-P468 HydrophobicContact CD1-CB 4.39Å; F458-P468 HydrophobicContact CE1-CB 3.9Å; F458-P468 HydrophobicContact CE1-CG 4.44Å; F458-P468 HydrophobicContact CZ-CB 4.07Å; F458-D497 HydrophobicContact CE2-CB 4Å; F458-D497 HydrophobicContact CZ-CB 3.97Å; F458-I500 HydrophobicContact CD2-CB 4.13Å; F458-I500 HydrophobicContact CD2-CG2 3.79Å; F458-I500 HydrophobicContact CE2-CB 4.41Å; F458-I500 HydrophobicContact CE2-CD1 4.36Å; F458-I500 HydrophobicContact CE2-CG2 4.4Å; F458-V501 HydrophobicContact CB-CG2 3.71Å; F458-V501 HydrophobicContact CD1-CG2 4.45Å; F458-V501 HydrophobicContact CD2-CG2 3.91Å; F458-V501 HydrophobicContact CG-CG2 3.76Å
459V96.5Very high95.2Very high6 Ų640.8 Ų40.84%0.03621%0.212CC..Hα-helixtrans-57.8-41.4-177.7170.70000111.7I425 L455 K456 G465 L467I425-V459 HydrophobicContact CD1-CG1 3.64Å; I425-V459 HydrophobicContact CD1-CG2 4.18Å; L455-V459 HydrophobicContact CD1-CG2 4.3Å; L455-V459 HydrophobicContact CG-CG2 4.5Å; L455-V459 VanDerWaalsContact O-CG2 3.3Å; L455-V459 WeakPolarHBondContact O-CG2 3.32Å; L455-V459 PolarHBondContact O-N 3.02Å; K456-V459 PolarHBondContact O-N 3.39Å; K456-V459 VanDerWaalsContact O-N 3.17Å; V459-G465 WeakPolarHBondContact O-CA 3.4Å; V459-G465 PolarHBondContact O-N 3.44Å; V459-L467 HydrophobicContact CG2-CD2 4.04Å
460E95.4Very high95.2Very high115 Ų11545.2 Ų45.254%0.53723%0.228SC..Hα-helixtrans-79.3-33.9-175.7-70.4173.3177.100113.5K456 F458K456-E460 WeakPolarHBondContact CE-OE1 3.41Å; K456-E460 HydrophobicContact CG-CG 4.5Å; K456-E460 WeakPolarHBondContact CG-OE1 3.46Å; K456-E460 IonicContact NZ-OE1 3.28Å; K456-E460 PolarHBondContact NZ-OE1 3.44Å; K456-E460 WeakPolarHBondContact O-CB 3.38Å; K456-E460 WeakPolarHBondContact O-CG 3.29Å; K456-E460 PolarHBondContact O-N 3.24Å; F458-E460 VanDerWaalsContact C-N 3.28Å; F458-E460 PolarHBondContact O-N 2.88Å
461N96.3Very high95.1Very high102 Ų10245.7 Ų45.755%0.54523%0.233SC..Hα-helixtrans-108.5-29.7-171.1-58.4-60.5000115C457 F458C457-N461 VanDerWaalsContact O-CB 3.29Å; C457-N461 WeakPolarHBondContact O-CB 3.49Å; C457-N461 PolarHBondContact O-N 2.85Å; C457-N461 PolarHBondContact O-ND2 3.16Å; F458-N461 PolarHBondContact O-N 3.48Å
462E94.4Very high94.8Very high108 Ų10847.2 Ų47.251%0.50525%0.245SC..THydrogen-bonded Turntrans-131.4-23.4-167.3-65-77.8-173.300113.1F458 I500 Y504F458-E462 HydrophobicContact CD2-CB 4.11Å; F458-E462 HydrophobicContact CE2-CB 4.35Å; F458-E462 CarbonylContact O-C 3.56Å; F458-E462 PolarHBondContact O-N 2.86Å; E462-I500 HydrophobicContact CB-CG2 4.21Å; E462-I500 HydrophobicContact CG-CG2 3.95Å; E462-Y504 HydrophobicContact CG-CE2 4.38Å
463G88.2Confident94.5Very high9 Ų948.2 Ų48.29%0.09325%0.25CS..SBendtrans-92.20.7-173.700000114.9F458 G465 R466F458-G463 PolarHBondContact O-N 3.47Å; G463-G465 PolarHBondContact O-N 3.32Å; G463-R466 WeakPolarHBondContact O-CA 3.45Å; G463-R466 VanDerWaalsContact O-CB 3.29Å; G463-R466 WeakPolarHBondContact O-CB 3.3Å; G463-R466 PolarHBondContact O-N 2.9Å
464D89.6Confident94.1Very high138 Ų13849.7 Ų49.774%0.73826%0.263SS*.THydrogen-bonded Turntrans49.839.9-173.6-66.2-35.3000113R466D464-R466 VanDerWaalsContact C-N 3.31Å; D464-R466 PolarHBondContact O-N 2.83Å; D464-R466 IonicContact OD2-NH1 2.56Å
465G91.4Very high93.7Very high42 Ų4257.2 Ų57.243%0.43330%0.303SS..THydrogen-bonded Turntrans75.214.1-176.200000114.8I425 V459 G463I425-G465 WeakPolarHBondContact CD1-O 3.26Å; V459-G465 WeakPolarHBondContact O-CA 3.4Å; V459-G465 PolarHBondContact O-N 3.44Å; G463-G465 PolarHBondContact O-N 3.32Å
466R93.7Very high93.3Very high112 Ų11258 Ų5842%0.42331%0.307SS..  trans-113.4155.8177.5-53.4-177.7-171.491.7-3111.8F458 G463 D464F458-R466 WeakPolarHBondContact CE1-O 3.44Å; G463-R466 WeakPolarHBondContact O-CA 3.45Å; G463-R466 VanDerWaalsContact O-CB 3.29Å; G463-R466 WeakPolarHBondContact O-CB 3.3Å; G463-R466 PolarHBondContact O-N 2.9Å; D464-R466 VanDerWaalsContact C-N 3.31Å; D464-R466 PolarHBondContact O-N 2.83Å; D464-R466 IonicContact OD2-NH1 2.56Å
467L96.5Very high92.9Very high35 Ų3558.1 Ų58.118%0.18331%0.312CS..PPolyproline II helixtrans-71.3154.4172.1-65.8179.3000111.4I425 V429 L455 V459 A533 A534I425-L467 HydrophobicContact CD1-CD2 4.14Å; I425-L467 HydrophobicContact CD1-CG 4.31Å; I425-L467 HydrophobicContact CG1-CD2 4.43Å; I425-L467 HydrophobicContact CG1-CG 4.09Å; I425-L467 HydrophobicContact CG2-CD1 4.35Å; I425-L467 HydrophobicContact CG2-CD2 4.33Å; I425-L467 HydrophobicContact CG2-CG 4.34Å; V429-L467 HydrophobicContact CG1-CD1 4.4Å; V429-L467 HydrophobicContact CG1-CD2 4.14Å; L455-L467 HydrophobicContact CD1-CD2 4.07Å; L455-L467 HydrophobicContact CD2-CD2 4.22Å; L455-L467 HydrophobicContact CG-CD2 4.42Å; V459-L467 HydrophobicContact CG2-CD2 4.04Å; L467-A533 HydrophobicContact CD1-CB 4.35Å; L467-A533 HydrophobicContact CD2-CB 4.43Å; L467-A534 HydrophobicContact CD1-CB 4.18Å
468P96.8Very high92.5Very high8 Ų858.8 Ų58.85%0.05232%0.316CS..PPolyproline II helixtrans-59144.1175.326.3-36000110.7L455 F458 R470 D497 C530 A533L455-P468 HydrophobicContact CD1-CG 3.77Å; F458-P468 HydrophobicContact CD1-CB 4.39Å; F458-P468 HydrophobicContact CE1-CB 3.9Å; F458-P468 HydrophobicContact CE1-CG 4.44Å; F458-P468 HydrophobicContact CZ-CB 4.07Å; P468-R470 PolarHBondContact O-N 2.91Å; P468-D497 HydrophobicContact CB-CB 3.69Å; P468-C530 HydrophobicContact CB-CB 4.17Å; P468-C530 HydrophobicContact CG-CB 3.84Å; P468-A533 HydrophobicContact CG-CB 4.3Å
469L95.4Very high92Very high59 Ų5962.6 Ų62.631%0.30934%0.337SS..PPolyproline II helixtrans-64.1133.8-176-171.867.9000111.2G471 Y490 K493 A494 D497L469-G471 VanDerWaalsContact C-N 3.29Å; L469-G471 PolarHBondContact O-N 3.35Å; L469-Y490 HydrophobicContact CD1-CD1 4.21Å; L469-Y490 HydrophobicContact CD1-CE1 4.32Å; L469-Y490 HydrophobicContact CD2-CD1 3.83Å; L469-Y490 HydrophobicContact CD2-CE1 4.48Å; L469-Y490 HydrophobicContact CD2-CG 4.29Å; L469-Y490 HydrophobicContact CG-CD1 4.35Å; L469-K493 HydrophobicContact CB-CG 4.19Å; L469-K493 HydrophobicContact CD2-CB 3.75Å; L469-K493 HydrophobicContact CD2-CG 3.61Å; L469-A494 HydrophobicContact CB-CB 4.34Å; L469-A494 WeakPolarHBondContact O-CA 3.44Å; L469-A494 WeakPolarHBondContact O-CB 3.13Å; L469-D497 WeakPolarHBondContact CB-OD2 3.38Å; L469-D497 PolarHBondContact N-OD2 3.36Å
470R93.6Very high91.6Very high115 Ų11567.3 Ų67.343%0.43437%0.366SS..  trans-66.4-29.4179.3-173.8171.1-168.1-148.93.5113.7P468 S472 R531P468-R470 PolarHBondContact O-N 2.91Å; R470-S472 VanDerWaalsContact C-N 3.26Å; R470-S472 WeakPolarHBondContact CD-OG 3.38Å; R470-S472 WeakPolarHBondContact CG-OG 3.35Å; R470-S472 PolarHBondContact O-N 2.88Å; R470-R531 HydrophobicContact CG-CG 3.79Å; R470-R531 WeakPolarHBondContact CG-O 3.29Å; R470-R531 PolarHBondContact NE-O 3.25Å
471G92.1Very high91.2Very high10 Ų1067.2 Ų67.210%0.10337%0.369CS..  trans77.7-0.5-179.600000115.7L469 Y490 A494L469-G471 VanDerWaalsContact C-N 3.29Å; L469-G471 PolarHBondContact O-N 3.35Å; G471-Y490 WeakPolarHBondContact CA-O 3.5Å; G471-A494 VanDerWaalsContact CA-CB 3.42Å
472S90.2Very high90.9Very high47 Ų4764.4 Ų64.433%0.32935%0.354SS..PPolyproline II helixtrans-92.6134173.658.90000110.8R470R470-S472 VanDerWaalsContact C-N 3.26Å; R470-S472 WeakPolarHBondContact CD-OG 3.38Å; R470-S472 WeakPolarHBondContact CG-OG 3.35Å; R470-S472 PolarHBondContact O-N 2.88Å
473L90.8Very high90.7Very high20 Ų2062.3 Ų62.311%0.10534%0.342CS..PPolyproline II helixtrans-88.8148.8166.7-72.9174.4000110.8L356 M476 Y483 L486 Q487 Y490L356-L473 HydrophobicContact CD1-CD2 4.04Å; L473-M476 HydrophobicContact CB-CE 4.33Å; L473-M476 HydrophobicContact CD2-CE 4.42Å; L473-Y483 HydrophobicContact CB-CE2 4.33Å; L473-Y483 HydrophobicContact CD1-CE2 4.18Å; L473-L486 HydrophobicContact CD1-CB 4.06Å; L473-L486 HydrophobicContact CD1-CD2 4.08Å; L473-L486 HydrophobicContact CD1-CG 3.77Å; L473-L486 HydrophobicContact CD2-CD2 4.42Å; L473-L486 HydrophobicContact CD2-CG 4.31Å; L473-Q487 HydrophobicContact CD1-CB 3.95Å; L473-Y490 HydrophobicContact CD2-CD1 3.9Å; L473-Y490 HydrophobicContact CD2-CD2 3.6Å; L473-Y490 HydrophobicContact CD2-CE1 3.92Å; L473-Y490 HydrophobicContact CD2-CE2 3.61Å; L473-Y490 HydrophobicContact CD2-CG 3.75Å; L473-Y490 HydrophobicContact CG-CD2 4.3Å; L473-Y490 HydrophobicContact CG-CG 4.23Å
474P88.6Confident91Very high60 Ų6065.4 Ų65.439%0.3936%0.355SS..PPolyproline II helixtrans-66.6163166.829.6-31.9000110.4Y355 M476Y355-P474 HydrophobicContact CE1-CG 4.4Å; Y355-P474 WeakPolarHBondContact OH-CG 3.42Å; P474-M476 HydrophobicContact CG-CE 3.83Å; P474-M476 WeakPolarHBondContact O-CE 3.46Å
475D88.3Confident91.1Very high157 Ų15767 Ų6784%0.8435%0.351SS*.PPolyproline II helixtrans-64140.1169.5-16327.2000109.9
476M90.8Very high91.3Very high17 Ų1765.8 Ų65.88%0.08434%0.335CS..  trans-160.3149.8-176.463.4-174.765.500112.2P354 Y355 L356 E411 L473 P474 S478 Y483 L486P354-M476 HydrophobicContact CB-SD 3.74Å; P354-M476 HydrophobicContact CG-SD 4.46Å; Y355-M476 HydrophobicContact CD1-CB 3.69Å; Y355-M476 HydrophobicContact CD1-CE 4.45Å; Y355-M476 HydrophobicContact CE1-CB 3.75Å; Y355-M476 HydrophobicContact CE1-CE 3.88Å; L356-M476 HydrophobicContact CD1-CE 3.82Å; L356-M476 HydrophobicContact CG-CE 4.35Å; E411-M476 WeakPolarHBondContact OE2-CA 3.44Å; L473-M476 HydrophobicContact CB-CE 4.33Å; L473-M476 HydrophobicContact CD2-CE 4.42Å; P474-M476 HydrophobicContact CG-CE 3.83Å; P474-M476 WeakPolarHBondContact O-CE 3.46Å; M476-S478 PolarHBondContact O-N 3.29Å; M476-Y483 HydrophobicContact CG-CD2 4.02Å; M476-Y483 HydrophobicContact CG-CE2 4.18Å; M476-Y483 HydrophobicContact SD-CD2 4.23Å; M476-L486 HydrophobicContact SD-CD2 4.22Å
477S87.2Confident91.3Very high37 Ų3762.7 Ų62.726%0.25933%0.325SS..  trans-75.8117.2170.4-61.20000109.8T407 N408 E411T407-S477 WeakPolarHBondContact CG2-OG 3.45Å; N408-S477 PolarHBondContact ND2-O 3.29Å; N408-S477 WeakPolarHBondContact OD1-CB 3.25Å; N408-S477 PolarHBondContact OD1-O 3.37Å; E411-S477 VanDerWaalsContact OE1-CB 3.28Å; E411-S477 WeakPolarHBondContact OE1-CB 3.39Å; E411-S477 PolarHBondContact OE1-N 2.82Å; E411-S477 PolarHBondContact OE1-OG 3.4Å; E411-S477 PolarHBondContact OE2-N 3.23Å
478S88.8Confident91.3Very high33 Ų3364.3 Ų64.323%0.23133%0.334CS..  trans-159.9157.1-178.3172.90000111.3G352 P354 M476 Y483G352-S478 CarbonylContact O-C 3.59Å; G352-S478 WeakPolarHBondContact O-CA 3.46Å; G352-S478 PolarHBondContact O-OG 2.82Å; P354-S478 WeakPolarHBondContact CD-OG 3.27Å; P354-S478 VanDerWaalsContact CG-OG 3.32Å; P354-S478 WeakPolarHBondContact CG-OG 3.39Å; M476-S478 PolarHBondContact O-N 3.29Å; S478-Y483 PolarHBondContact OG-N 3.45Å
479D86.5Confident91.3Very high85 Ų8569 Ų6946%0.45536%0.357SS..  trans-61.1143.9163-67.7-47.3000110.8G352 D481 L482 Y483G352-D479 WeakPolarHBondContact CA-OD2 3.46Å; G352-D479 PolarHBondContact O-N 2.62Å; D479-D481 VanDerWaalsContact C-N 3.33Å; D479-D481 PolarHBondContact O-N 3.44Å; D479-L482 HydrophobicContact CB-CB 4.32Å; D479-L482 HydrophobicContact CB-CD1 4.18Å; D479-L482 HydrophobicContact CB-CG 4.25Å; D479-L482 PolarHBondContact O-N 3.45Å; D479-Y483 WeakPolarHBondContact O-CB 3.36Å; D479-Y483 PolarHBondContact O-N 3.18Å
480T88.6Confident91.3Very high104 Ų10469.5 Ų69.564%0.63836%0.356SS*.Hα-helixtrans-54.8-46.3-179.1-55.60000112.1Y483 I484T480-Y483 PolarHBondContact O-N 3.23Å; T480-I484 HydrophobicContact CG2-CD1 3.81Å; T480-I484 WeakPolarHBondContact O-CB 3.45Å; T480-I484 VanDerWaalsContact O-CG1 3.24Å; T480-I484 WeakPolarHBondContact O-CG1 3.45Å; T480-I484 PolarHBondContact O-N 3.45Å
481D88Confident91.4Very high113 Ų11368.8 Ų68.860%0.60436%0.355SS*.Hα-helixtrans-67.9-39.9-177.4-72.6-23.3000112.3D479 R485D479-D481 VanDerWaalsContact C-N 3.33Å; D479-D481 PolarHBondContact O-N 3.44Å; D481-R485 WeakPolarHBondContact O-CB 3.35Å; D481-R485 VanDerWaalsContact O-CG 3.27Å; D481-R485 WeakPolarHBondContact O-CG 3.4Å; D481-R485 PolarHBondContact O-N 3Å
482L88.8Confident91.7Very high43 Ų4373.4 Ų73.423%0.22538%0.378CS..Hα-helixtrans-67.5-43.1176.7-68.9177.9000111.1L353 P354 D479 R485 L486L353-L482 HydrophobicContact CD2-CD1 3.58Å; P354-L482 HydrophobicContact CG-CB 4.27Å; D479-L482 HydrophobicContact CB-CB 4.32Å; D479-L482 HydrophobicContact CB-CD1 4.18Å; D479-L482 HydrophobicContact CB-CG 4.25Å; D479-L482 PolarHBondContact O-N 3.45Å; L482-R485 PolarHBondContact O-N 3.09Å; L482-L486 WeakPolarHBondContact O-CB 3.46Å; L482-L486 PolarHBondContact O-N 2.92Å
483Y91.7Very high92.1Very high65 Ų6576.3 Ų76.326%0.25538%0.384SS..Hα-helixtrans-60.9-45.7176.1179.5-101.1000111.3L473 M476 S478 D479 T480 R485 L486 Q487L473-Y483 HydrophobicContact CB-CE2 4.33Å; L473-Y483 HydrophobicContact CD1-CE2 4.18Å; M476-Y483 HydrophobicContact CG-CD2 4.02Å; M476-Y483 HydrophobicContact CG-CE2 4.18Å; M476-Y483 HydrophobicContact SD-CD2 4.23Å; S478-Y483 PolarHBondContact OG-N 3.45Å; D479-Y483 WeakPolarHBondContact O-CB 3.36Å; D479-Y483 PolarHBondContact O-N 3.18Å; T480-Y483 PolarHBondContact O-N 3.23Å; Y483-R485 PolarHBondContact O-N 3.43Å; Y483-L486 PolarHBondContact O-N 2.9Å; Y483-Q487 WeakPolarHBondContact O-CB 3.44Å; Y483-Q487 PolarHBondContact O-N 2.91Å
484I92.8Very high92.4Very high73 Ų7376 Ų7637%0.37439%0.385SS..Hα-helixtrans-62.1-44177.2-69.9167.8000111T480 Q487 N488T480-I484 HydrophobicContact CG2-CD1 3.81Å; T480-I484 WeakPolarHBondContact O-CB 3.45Å; T480-I484 VanDerWaalsContact O-CG1 3.24Å; T480-I484 WeakPolarHBondContact O-CG1 3.45Å; T480-I484 PolarHBondContact O-N 3.45Å; I484-Q487 PolarHBondContact O-N 2.83Å; I484-N488 VanDerWaalsContact O-CG 3.28Å; I484-N488 PolarHBondContact O-N 2.99Å; I484-N488 PolarHBondContact O-ND2 2.79Å
485R93.7Very high92.8Very high173 Ų17377 Ų7765%0.65338%0.384SS*.Hα-helixtrans-60.5-48.2176.8-74.8177.7-168.5-171.76.5111.5D481 L482 Y483 Q487 N488 I489D481-R485 WeakPolarHBondContact O-CB 3.35Å; D481-R485 VanDerWaalsContact O-CG 3.27Å; D481-R485 WeakPolarHBondContact O-CG 3.4Å; D481-R485 PolarHBondContact O-N 3Å; L482-R485 PolarHBondContact O-N 3.09Å; Y483-R485 PolarHBondContact O-N 3.43Å; R485-Q487 VanDerWaalsContact C-N 3.32Å; R485-Q487 PolarHBondContact O-N 3.35Å; R485-N488 PolarHBondContact O-N 2.75Å; R485-I489 WeakPolarHBondContact O-CG1 3.42Å; R485-I489 PolarHBondContact O-N 3.44Å; R485-I489 VanDerWaalsContact O-N 3.14Å
486L93.7Very high93.3Very high16 Ų1671.5 Ų71.58%0.08436%0.361CS..Hα-helixtrans-63.3-41.4178.2-171.360.7000111.2P354 L356 L473 M476 L482 Y483 N488 I489 Y490P354-L486 HydrophobicContact CB-CD2 3.84Å; P354-L486 HydrophobicContact CG-CD2 4.03Å; L356-L486 HydrophobicContact CD1-CD2 4.18Å; L473-L486 HydrophobicContact CD1-CB 4.06Å; L473-L486 HydrophobicContact CD1-CD2 4.08Å; L473-L486 HydrophobicContact CD1-CG 3.77Å; L473-L486 HydrophobicContact CD2-CD2 4.42Å; L473-L486 HydrophobicContact CD2-CG 4.31Å; M476-L486 HydrophobicContact SD-CD2 4.22Å; L482-L486 WeakPolarHBondContact O-CB 3.46Å; L482-L486 PolarHBondContact O-N 2.92Å; Y483-L486 PolarHBondContact O-N 2.9Å; L486-N488 VanDerWaalsContact C-N 3.31Å; L486-N488 PolarHBondContact O-N 2.83Å; L486-I489 PolarHBondContact O-N 3.28Å; L486-Y490 HydrophobicContact CD1-CD2 4.28Å; L486-Y490 HydrophobicContact CD1-CE2 3.97Å; L486-Y490 HydrophobicContact CG-CD2 4.44Å; L486-Y490 HydrophobicContact CG-CE2 4.34Å; L486-Y490 WeakPolarHBondContact O-CD2 3.46Å; L486-Y490 PolarHBondContact O-N 3.17Å
487Q95Very high93.7Very high46 Ų4671 Ų7122%0.21536%0.358CS..Hα-helixtrans-61-41.3177.3-172.7-173.781.100111.5L473 Y483 I484 R485 Y490 K491L473-Q487 HydrophobicContact CD1-CB 3.95Å; Y483-Q487 WeakPolarHBondContact O-CB 3.44Å; Y483-Q487 PolarHBondContact O-N 2.91Å; I484-Q487 PolarHBondContact O-N 2.83Å; R485-Q487 VanDerWaalsContact C-N 3.32Å; R485-Q487 PolarHBondContact O-N 3.35Å; Q487-Y490 PolarHBondContact O-N 3.17Å; Q487-K491 HydrophobicContact CG-CD 4.05Å; Q487-K491 HydrophobicContact CG-CG 4.42Å; Q487-K491 WeakPolarHBondContact O-CB 3.44Å; Q487-K491 VanDerWaalsContact O-CG 3.32Å; Q487-K491 WeakPolarHBondContact O-CG 3.42Å; Q487-K491 PolarHBondContact O-N 3.16Å
488N96.1Very high94.2Very high69 Ų6969.2 Ų69.237%0.36935%0.346SS..Hα-helixtrans-65.4-40.4177.5-71.2-22.1000111.8I484 R485 L486 Y490 K491 D492I484-N488 VanDerWaalsContact O-CG 3.28Å; I484-N488 PolarHBondContact O-N 2.99Å; I484-N488 PolarHBondContact O-ND2 2.79Å; R485-N488 PolarHBondContact O-N 2.75Å; L486-N488 VanDerWaalsContact C-N 3.31Å; L486-N488 PolarHBondContact O-N 2.83Å; N488-Y490 VanDerWaalsContact C-N 3.32Å; N488-Y490 PolarHBondContact O-N 3.18Å; N488-K491 PolarHBondContact O-N 3.27Å; N488-D492 WeakPolarHBondContact O-CB 3.43Å; N488-D492 PolarHBondContact O-N 3.22Å
489I96.2Very high94.6Very high106 Ų10671 Ų7154%0.54435%0.352SS..Hα-helixtrans-56.2-46.8174.8-66167.1000111.1R485 L486 K493R485-I489 WeakPolarHBondContact O-CG1 3.42Å; R485-I489 PolarHBondContact O-N 3.44Å; R485-I489 VanDerWaalsContact O-N 3.14Å; L486-I489 PolarHBondContact O-N 3.28Å; I489-K493 PolarHBondContact O-N 2.92Å; I489-K493 VanDerWaalsContact O-N 3.13Å
490Y96.1Very high95.2Very high71 Ų7169.1 Ų69.128%0.27834%0.342SS..Hα-helixtrans-68.3-40.3178.2-85.3-108.5000112.4L469 G471 L473 L486 Q487 N488 A494L469-Y490 HydrophobicContact CD1-CD1 4.21Å; L469-Y490 HydrophobicContact CD1-CE1 4.32Å; L469-Y490 HydrophobicContact CD2-CD1 3.83Å; L469-Y490 HydrophobicContact CD2-CE1 4.48Å; L469-Y490 HydrophobicContact CD2-CG 4.29Å; L469-Y490 HydrophobicContact CG-CD1 4.35Å; G471-Y490 WeakPolarHBondContact CA-O 3.5Å; L473-Y490 HydrophobicContact CD2-CD1 3.9Å; L473-Y490 HydrophobicContact CD2-CD2 3.6Å; L473-Y490 HydrophobicContact CD2-CE1 3.92Å; L473-Y490 HydrophobicContact CD2-CE2 3.61Å; L473-Y490 HydrophobicContact CD2-CG 3.75Å; L473-Y490 HydrophobicContact CG-CD2 4.3Å; L473-Y490 HydrophobicContact CG-CG 4.23Å; L486-Y490 HydrophobicContact CD1-CD2 4.28Å; L486-Y490 HydrophobicContact CD1-CE2 3.97Å; L486-Y490 HydrophobicContact CG-CD2 4.44Å; L486-Y490 HydrophobicContact CG-CE2 4.34Å; L486-Y490 WeakPolarHBondContact O-CD2 3.46Å; L486-Y490 PolarHBondContact O-N 3.17Å; Q487-Y490 PolarHBondContact O-N 3.17Å; N488-Y490 VanDerWaalsContact C-N 3.32Å; N488-Y490 PolarHBondContact O-N 3.18Å; Y490-A494 VanDerWaalsContact O-CB 3.23Å; Y490-A494 WeakPolarHBondContact O-CB 3.46Å; Y490-A494 PolarHBondContact O-N 3.36Å
491K96.6Very high95.6Very high99 Ų9964.2 Ų64.243%0.4331%0.312SS..Hα-helixtrans-63.5-43176.7-79.3174.2171.5172.30112Q487 N488 A494 H495Q487-K491 HydrophobicContact CG-CD 4.05Å; Q487-K491 HydrophobicContact CG-CG 4.42Å; Q487-K491 WeakPolarHBondContact O-CB 3.44Å; Q487-K491 VanDerWaalsContact O-CG 3.32Å; Q487-K491 WeakPolarHBondContact O-CG 3.42Å; Q487-K491 PolarHBondContact O-N 3.16Å; N488-K491 PolarHBondContact O-N 3.27Å; K491-A494 PolarHBondContact O-N 3.34Å; K491-H495 VanDerWaalsContact O-CB 3.31Å; K491-H495 WeakPolarHBondContact O-CB 3.39Å; K491-H495 PolarHBondContact O-N 2.66Å
492D98Very high96.1Very high108 Ų10860 Ų6058%0.57829%0.288SS*.Hα-helixtrans-67.1-44.4-178.5-68.8-17.1000110.8N488 H495 A496N488-D492 WeakPolarHBondContact O-CB 3.43Å; N488-D492 PolarHBondContact O-N 3.22Å; D492-H495 PolarHBondContact O-N 3.42Å; D492-A496 WeakPolarHBondContact O-CB 3.26Å; D492-A496 PolarHBondContact O-N 2.98Å
493K97.1Very high96.6Very high107 Ų10762 Ų6247%0.46530%0.299SS..Hα-helixtrans-63.9-43.9174.1176.656.4176.6164.40112L469 I489 H495 A496 D497L469-K493 HydrophobicContact CB-CG 4.19Å; L469-K493 HydrophobicContact CD2-CB 3.75Å; L469-K493 HydrophobicContact CD2-CG 3.61Å; I489-K493 PolarHBondContact O-N 2.92Å; I489-K493 VanDerWaalsContact O-N 3.13Å; K493-H495 VanDerWaalsContact C-N 3.3Å; K493-H495 PolarHBondContact O-N 2.93Å; K493-A496 PolarHBondContact O-N 3.03Å; K493-D497 WeakPolarHBondContact CE-OD1 3.4Å; K493-D497 WeakPolarHBondContact CE-OD2 3.43Å; K493-D497 IonicContact NZ-OD1 3.05Å; K493-D497 PolarHBondContact NZ-OD1 3.46Å; K493-D497 IonicContact NZ-OD2 3.46Å; K493-D497 VanDerWaalsContact O-CG 3.32Å; K493-D497 PolarHBondContact O-N 2.91Å
494A97.6Very high96.8Very high14 Ų1460.9 Ų60.912%0.11630%0.295CS..Hα-helixtrans-61.6-38.317600000112.8L469 G471 Y490 K491 A498L469-A494 HydrophobicContact CB-CB 4.34Å; L469-A494 WeakPolarHBondContact O-CA 3.44Å; L469-A494 WeakPolarHBondContact O-CB 3.13Å; G471-A494 VanDerWaalsContact CA-CB 3.42Å; Y490-A494 VanDerWaalsContact O-CB 3.23Å; Y490-A494 WeakPolarHBondContact O-CB 3.46Å; Y490-A494 PolarHBondContact O-N 3.36Å; K491-A494 PolarHBondContact O-N 3.34Å; A494-A498 VanDerWaalsContact O-CB 3.31Å; A494-A498 WeakPolarHBondContact O-CB 3.45Å; A494-A498 PolarHBondContact O-N 3.16Å
495H98.1Very high97Very high81 Ų8157.4 Ų57.438%0.37528%0.277SS..Hα-helixtrans-66.7-43.7174.7-177.2-88.5000111.8K491 D492 K493 A498 L499 F523K491-H495 VanDerWaalsContact O-CB 3.31Å; K491-H495 WeakPolarHBondContact O-CB 3.39Å; K491-H495 PolarHBondContact O-N 2.66Å; D492-H495 PolarHBondContact O-N 3.42Å; K493-H495 VanDerWaalsContact C-N 3.3Å; K493-H495 PolarHBondContact O-N 2.93Å; H495-A498 PolarHBondContact O-N 3.16Å; H495-L499 VanDerWaalsContact CE1-CD1 3.47Å; H495-L499 WeakPolarHBondContact CE1-CD1 3.32Å; H495-L499 WeakPolarHBondContact O-CG 3.5Å; H495-L499 PolarHBondContact O-N 2.95Å; H495-F523 AromaticContact CD2-CE1 3.97Å; H495-F523 AromaticContact CD2-CZ 3.91Å; H495-F523 AromaticContact NE2-CE1 3.54Å; H495-F523 AromaticContact NE2-CZ 3.7Å
496A98.1Very high97Very high42 Ų4253.2 Ų53.235%0.34727%0.267SS..Hα-helixtrans-60.9-45.7175.900000111.8D492 K493 A498 L499 I500D492-A496 WeakPolarHBondContact O-CB 3.26Å; D492-A496 PolarHBondContact O-N 2.98Å; K493-A496 PolarHBondContact O-N 3.03Å; A496-A498 PolarHBondContact O-N 3Å; A496-L499 WeakPolarHBondContact O-CB 3.31Å; A496-L499 PolarHBondContact O-N 2.99Å; A496-I500 WeakPolarHBondContact O-CG1 3.46Å; A496-I500 PolarHBondContact O-N 3.38Å; A496-I500 VanDerWaalsContact O-N 3.12Å
497D98.2Very high97Very high6 Ų657.7 Ų57.73%0.03229%0.288CS..Hα-helixtrans-62-44.3176.5-68.4-11000111.4F458 P468 L469 K493 L499 I500 V501F458-D497 HydrophobicContact CE2-CB 4Å; F458-D497 HydrophobicContact CZ-CB 3.97Å; P468-D497 HydrophobicContact CB-CB 3.69Å; L469-D497 WeakPolarHBondContact CB-OD2 3.38Å; L469-D497 PolarHBondContact N-OD2 3.36Å; K493-D497 WeakPolarHBondContact CE-OD1 3.4Å; K493-D497 WeakPolarHBondContact CE-OD2 3.43Å; K493-D497 IonicContact NZ-OD1 3.05Å; K493-D497 PolarHBondContact NZ-OD1 3.46Å; K493-D497 IonicContact NZ-OD2 3.46Å; K493-D497 VanDerWaalsContact O-CG 3.32Å; K493-D497 PolarHBondContact O-N 2.91Å; D497-L499 VanDerWaalsContact C-N 3.3Å; D497-L499 PolarHBondContact O-N 3.19Å; D497-I500 PolarHBondContact O-N 2.94Å; D497-V501 WeakPolarHBondContact O-CG2 3.46Å; D497-V501 PolarHBondContact O-N 3.32Å
498A98.1Very high96.8Very high0 Ų055.6 Ų55.60%028%0.278CS..Hα-helixtrans-62.5-35.7176.900000112.6A494 H495 A496 H502 F523 K527 C530A494-A498 VanDerWaalsContact O-CB 3.31Å; A494-A498 WeakPolarHBondContact O-CB 3.45Å; A494-A498 PolarHBondContact O-N 3.16Å; H495-A498 PolarHBondContact O-N 3.16Å; A496-A498 PolarHBondContact O-N 3Å; A498-H502 WeakPolarHBondContact O-CB 3.24Å; A498-H502 PolarHBondContact O-N 3.39Å; A498-F523 HydrophobicContact CB-CE2 4.11Å; A498-F523 HydrophobicContact CB-CZ 4.33Å; A498-K527 HydrophobicContact CB-CB 4.37Å; A498-K527 HydrophobicContact CB-CG 4.45Å; A498-C530 HydrophobicContact CB-CB 4.36Å
499L98.3Very high96.6Very high69 Ų6953.7 Ų53.736%0.36127%0.268SS..Hα-helixtrans-64.7-42.1174.4-78.8172.7000111.7H495 A496 D497 H502 N503 F523H495-L499 VanDerWaalsContact CE1-CD1 3.47Å; H495-L499 WeakPolarHBondContact CE1-CD1 3.32Å; H495-L499 WeakPolarHBondContact O-CG 3.5Å; H495-L499 PolarHBondContact O-N 2.95Å; A496-L499 WeakPolarHBondContact O-CB 3.31Å; A496-L499 PolarHBondContact O-N 2.99Å; D497-L499 VanDerWaalsContact C-N 3.3Å; D497-L499 PolarHBondContact O-N 3.19Å; L499-H502 PolarHBondContact O-N 3.25Å; L499-N503 VanDerWaalsContact O-CG 3.25Å; L499-N503 PolarHBondContact O-N 3.45Å; L499-N503 PolarHBondContact O-ND2 3.11Å; L499-F523 HydrophobicContact CB-CE2 4.45Å; L499-F523 HydrophobicContact CD2-CD2 4.16Å; L499-F523 HydrophobicContact CD2-CE1 4.33Å; L499-F523 HydrophobicContact CD2-CE2 3.56Å; L499-F523 HydrophobicContact CD2-CZ 3.65Å; L499-F523 HydrophobicContact CG-CE2 3.89Å; L499-F523 HydrophobicContact CG-CZ 3.82Å
500I98.3Very high96.3Very high47 Ų4751.4 Ų51.424%0.24126%0.264CS..Hα-helixtrans-61.7-48.6176.8-63.5165.8000109.9F458 E462 A496 D497 H502 N503 Y504F458-I500 HydrophobicContact CD2-CB 4.13Å; F458-I500 HydrophobicContact CD2-CG2 3.79Å; F458-I500 HydrophobicContact CE2-CB 4.41Å; F458-I500 HydrophobicContact CE2-CD1 4.36Å; F458-I500 HydrophobicContact CE2-CG2 4.4Å; E462-I500 HydrophobicContact CB-CG2 4.21Å; E462-I500 HydrophobicContact CG-CG2 3.95Å; A496-I500 WeakPolarHBondContact O-CG1 3.46Å; A496-I500 PolarHBondContact O-N 3.38Å; A496-I500 VanDerWaalsContact O-N 3.12Å; D497-I500 PolarHBondContact O-N 2.94Å; I500-H502 VanDerWaalsContact C-N 3.28Å; I500-H502 PolarHBondContact O-N 3.04Å; I500-N503 WeakPolarHBondContact O-CB 3.34Å; I500-N503 PolarHBondContact O-N 3.4Å; I500-Y504 HydrophobicContact CG2-CD2 4.18Å; I500-Y504 HydrophobicContact CG2-CE2 3.85Å; I500-Y504 WeakPolarHBondContact O-CD2 3.39Å; I500-Y504 PolarHBondContact O-N 3.24Å
501V98.2Very high95.8Very high0 Ų054.3 Ų54.30%028%0.281CS..Hα-helixtrans-58.5-42.6175.5177.40000110.7A454 F458 D497 N503 Y504 V505 T526A454-V501 HydrophobicContact CB-CG1 4.04Å; F458-V501 HydrophobicContact CB-CG2 3.71Å; F458-V501 HydrophobicContact CD1-CG2 4.45Å; F458-V501 HydrophobicContact CD2-CG2 3.91Å; F458-V501 HydrophobicContact CG-CG2 3.76Å; D497-V501 WeakPolarHBondContact O-CG2 3.46Å; D497-V501 PolarHBondContact O-N 3.32Å; V501-N503 VanDerWaalsContact C-N 3.33Å; V501-N503 PolarHBondContact O-N 3.32Å; V501-Y504 WeakPolarHBondContact O-CB 3.42Å; V501-Y504 PolarHBondContact O-N 2.69Å; V501-Y504 VanDerWaalsContact O-N 3.16Å; V501-V505 WeakPolarHBondContact O-CG2 3.44Å; V501-V505 PolarHBondContact O-N 3.49Å; V501-T526 HydrophobicContact CB-CG2 4.16Å; V501-T526 HydrophobicContact CG1-CG2 3.77Å
502H98.3Very high95.3Very high24 Ų2449.8 Ų49.811%0.11126%0.261CS..Hα-helixtrans-65-35.4178.9-167.361000113A498 L499 I500 Y504 V505 L506 I521 F523 T526A498-H502 WeakPolarHBondContact O-CB 3.24Å; A498-H502 PolarHBondContact O-N 3.39Å; L499-H502 PolarHBondContact O-N 3.25Å; I500-H502 VanDerWaalsContact C-N 3.28Å; I500-H502 PolarHBondContact O-N 3.04Å; H502-Y504 VanDerWaalsContact C-N 3.32Å; H502-Y504 PolarHBondContact O-N 3.38Å; H502-V505 WeakPolarHBondContact O-CB 3.49Å; H502-V505 PolarHBondContact O-N 3.19Å; H502-V505 VanDerWaalsContact O-N 3.16Å; H502-L506 WeakPolarHBondContact O-CG 3.16Å; H502-L506 PolarHBondContact O-N 3.06Å; H502-I521 PolarHBondContact CE1-O 3.02Å; H502-F523 HydrophobicContact CB-CD2 3.77Å; H502-F523 HydrophobicContact CB-CE2 4.24Å; H502-F523 AromaticContact CD2-CD2 3.91Å; H502-F523 PolarHBondContact CE1-N 3.3Å; H502-F523 AromaticContact CG-CD2 3.74Å; H502-T526 HydrophobicContact CB-CG2 3.88Å; H502-T526 PolarHBondContact ND1-OG1 3.37Å
503N98.1Very high93.9Very high86 Ų8654.3 Ų54.346%0.4627%0.27SS..Hα-helixtrans-62-41.3173.1-68.8-26.2000111.3L499 I500 V501 V505 L506 Q507L499-N503 VanDerWaalsContact O-CG 3.25Å; L499-N503 PolarHBondContact O-N 3.45Å; L499-N503 PolarHBondContact O-ND2 3.11Å; I500-N503 WeakPolarHBondContact O-CB 3.34Å; I500-N503 PolarHBondContact O-N 3.4Å; V501-N503 VanDerWaalsContact C-N 3.33Å; V501-N503 PolarHBondContact O-N 3.32Å; N503-V505 VanDerWaalsContact C-N 3.34Å; N503-L506 PolarHBondContact O-N 3.48Å; N503-Q507 VanDerWaalsContact O-CG 3.3Å; N503-Q507 WeakPolarHBondContact O-CG 3.29Å; N503-Q507 PolarHBondContact O-N 2.84Å
504Y97.1Very high92.4Very high41 Ų4158.3 Ų58.316%0.16129%0.29CS..Hα-helixtrans-64.4-37.2172.7-74.7-60.8000112.6C457 E462 I500 V501 H502 Q507 C508C457-Y504 HydrophobicContact CB-CD1 3.75Å; C457-Y504 HydrophobicContact CB-CD2 3.99Å; C457-Y504 HydrophobicContact CB-CE1 3.89Å; C457-Y504 HydrophobicContact CB-CE2 4.11Å; C457-Y504 HydrophobicContact CB-CG 3.81Å; E462-Y504 HydrophobicContact CG-CE2 4.38Å; I500-Y504 HydrophobicContact CG2-CD2 4.18Å; I500-Y504 HydrophobicContact CG2-CE2 3.85Å; I500-Y504 WeakPolarHBondContact O-CD2 3.39Å; I500-Y504 PolarHBondContact O-N 3.24Å; V501-Y504 WeakPolarHBondContact O-CB 3.42Å; V501-Y504 PolarHBondContact O-N 2.69Å; V501-Y504 VanDerWaalsContact O-N 3.16Å; H502-Y504 VanDerWaalsContact C-N 3.32Å; H502-Y504 PolarHBondContact O-N 3.38Å; Y504-Q507 PolarHBondContact O-N 3.29Å; Y504-C508 VanDerWaalsContact O-CB 3.3Å; Y504-C508 WeakPolarHBondContact O-CB 3.36Å; Y504-C508 PolarHBondContact O-N 2.92Å
505V95.8Very high90.9Very high0 Ų060 Ų600%030%0.301CS..Hα-helixtrans-58.6-48.2172.2170.30000110.8I450 L451 A454 V501 H502 N503 Q507 C508 I509 I521 T526I450-V505 HydrophobicContact CG2-CG1 4.1Å; L451-V505 HydrophobicContact CD2-CG2 3.86Å; A454-V505 HydrophobicContact CB-CB 4.38Å; A454-V505 HydrophobicContact CB-CG2 3.47Å; A454-V505 VanDerWaalsContact CB-CG2 3.47Å; V501-V505 WeakPolarHBondContact O-CG2 3.44Å; V501-V505 PolarHBondContact O-N 3.49Å; H502-V505 WeakPolarHBondContact O-CB 3.49Å; H502-V505 PolarHBondContact O-N 3.19Å; H502-V505 VanDerWaalsContact O-N 3.16Å; N503-V505 VanDerWaalsContact C-N 3.34Å; V505-Q507 PolarHBondContact O-N 3.18Å; V505-C508 PolarHBondContact O-N 3.46Å; V505-I509 HydrophobicContact CG1-CD1 3.76Å; V505-I509 HydrophobicContact CG1-CG1 4.43Å; V505-I509 WeakPolarHBondContact O-CB 3.45Å; V505-I509 WeakPolarHBondContact O-CG1 3.36Å; V505-I509 PolarHBondContact O-N 3.36Å; V505-I521 HydrophobicContact CG1-CB 3.87Å; V505-I521 HydrophobicContact CG1-CD1 3.9Å; V505-I521 HydrophobicContact CG1-CG1 4.42Å; V505-I521 HydrophobicContact CG1-CG2 3.99Å; V505-T526 HydrophobicContact CG2-CG2 4.43Å
506L94.9Very high89.3Confident86 Ų8665.4 Ų65.445%0.4533%0.327SS..Hα-helixtrans-64.4-39.4179.5-67.2175.5000112.3H502 N503 A510H502-L506 WeakPolarHBondContact O-CG 3.16Å; H502-L506 PolarHBondContact O-N 3.06Å; N503-L506 PolarHBondContact O-N 3.48Å; L506-A510 WeakPolarHBondContact O-CB 3.41Å; L506-A510 PolarHBondContact O-N 3.12Å
507Q93.2Very high88.1Confident109 Ų10970.4 Ų70.451%0.50935%0.347SS..Hα-helixtrans-62.4-45.7174.5-73.5173.6-0.100111.5N503 Y504 V505 A510 Q511N503-Q507 VanDerWaalsContact O-CG 3.3Å; N503-Q507 WeakPolarHBondContact O-CG 3.29Å; N503-Q507 PolarHBondContact O-N 2.84Å; Y504-Q507 PolarHBondContact O-N 3.29Å; V505-Q507 PolarHBondContact O-N 3.18Å; Q507-A510 WeakPolarHBondContact O-CB 3.48Å; Q507-A510 PolarHBondContact O-N 3.46Å; Q507-Q511 WeakPolarHBondContact O-CG 3.45Å; Q507-Q511 PolarHBondContact O-N 3.11Å; Q507-Q511 VanDerWaalsContact O-N 3.11Å
508C91.4Very high87.1Confident2 Ų272 Ų721%0.01436%0.357CS..Hα-helixtrans-61.7-48.5176.8179.40000111.6P441 I450 Y504 V505 A510 Q511 L512P441-C508 WeakPolarHBondContact CG-SG 3.43Å; I450-C508 HydrophobicContact CG2-CB 4.29Å; Y504-C508 VanDerWaalsContact O-CB 3.3Å; Y504-C508 WeakPolarHBondContact O-CB 3.36Å; Y504-C508 PolarHBondContact O-N 2.92Å; V505-C508 PolarHBondContact O-N 3.46Å; C508-A510 VanDerWaalsContact C-N 3.26Å; C508-A510 PolarHBondContact O-N 2.93Å; C508-Q511 WeakPolarHBondContact O-CB 3.32Å; C508-Q511 PolarHBondContact O-N 3.24Å; C508-L512 WeakPolarHBondContact O-CG 3.45Å; C508-L512 PolarHBondContact O-N 2.83Å
509I90.9Very high86.5Confident30 Ų3073.5 Ų73.515%0.15437%0.367CS..Hα-helixtrans-58-38.8175.8-74.3172.4000111.4I450 V505 Q511 L512 R513 V518 I521I450-I509 HydrophobicContact CG2-CG1 4.23Å; V505-I509 HydrophobicContact CG1-CD1 3.76Å; V505-I509 HydrophobicContact CG1-CG1 4.43Å; V505-I509 WeakPolarHBondContact O-CB 3.45Å; V505-I509 WeakPolarHBondContact O-CG1 3.36Å; V505-I509 PolarHBondContact O-N 3.36Å; I509-Q511 VanDerWaalsContact C-N 3.33Å; I509-Q511 PolarHBondContact O-N 3.02Å; I509-L512 PolarHBondContact O-N 2.97Å; I509-R513 PolarHBondContact O-N 3.44Å; I509-V518 HydrophobicContact CB-CG1 4.31Å; I509-V518 HydrophobicContact CG1-CG1 4.12Å; I509-V518 HydrophobicContact CG2-CG1 3.86Å; I509-I521 HydrophobicContact CD1-CB 4.25Å; I509-I521 HydrophobicContact CD1-CD1 4.31Å; I509-I521 HydrophobicContact CD1-CG1 4.23Å
510A89.2Confident86Confident57 Ų5779.1 Ų79.147%0.47139%0.391SS..Hα-helixtrans-64.7-36.7176.700000112.5L506 Q507 C508L506-A510 WeakPolarHBondContact O-CB 3.41Å; L506-A510 PolarHBondContact O-N 3.12Å; Q507-A510 WeakPolarHBondContact O-CB 3.48Å; Q507-A510 PolarHBondContact O-N 3.46Å; C508-A510 VanDerWaalsContact C-N 3.26Å; C508-A510 PolarHBondContact O-N 2.93Å
511Q86.8Confident85.8Confident133 Ų13377.4 Ų77.462%0.62138%0.383SS*.Hα-helixtrans-71.5-31.5174.5-68.3172.3-9.400112.4Q507 C508 I509 R513Q507-Q511 WeakPolarHBondContact O-CG 3.45Å; Q507-Q511 PolarHBondContact O-N 3.11Å; Q507-Q511 VanDerWaalsContact O-N 3.11Å; C508-Q511 WeakPolarHBondContact O-CB 3.32Å; C508-Q511 PolarHBondContact O-N 3.24Å; I509-Q511 VanDerWaalsContact C-N 3.33Å; I509-Q511 PolarHBondContact O-N 3.02Å; Q511-R513 VanDerWaalsContact C-N 3.34Å; Q511-R513 PolarHBondContact O-N 3.37Å
512L85.3Confident85.7Confident4 Ų480.9 Ų80.92%0.02140%0.404CS..THydrogen-bonded Turntrans-82.5-0.3-179.4-67.8176000114.7P441 Q442 I450 C508 I509 E514 C515 V518P441-L512 HydrophobicContact CB-CD1 4.48Å; Q442-L512 HydrophobicContact CB-CD2 4.29Å; Q442-L512 HydrophobicContact CG-CD2 3.41Å; Q442-L512 VanDerWaalsContact CG-CD2 3.41Å; I450-L512 HydrophobicContact CD1-CD1 3.76Å; I450-L512 HydrophobicContact CG1-CD1 3.82Å; C508-L512 WeakPolarHBondContact O-CG 3.45Å; C508-L512 PolarHBondContact O-N 2.83Å; I509-L512 PolarHBondContact O-N 2.97Å; L512-E514 PolarHBondContact O-N 2.94Å; L512-C515 WeakPolarHBondContact O-CB 3.25Å; L512-C515 PolarHBondContact O-N 3.09Å; L512-V518 HydrophobicContact CB-CG1 4.39Å; L512-V518 HydrophobicContact CB-CG2 4.2Å; L512-V518 VanDerWaalsContact O-CG2 3.22Å; L512-V518 WeakPolarHBondContact O-CG2 3.12Å
513R68.4Low85.7Confident202 Ų20282.1 Ų82.176%0.76241%0.409SS*.THydrogen-bonded Turntrans-58.2-7.2-177.3-77.5-171.7178.2-168.50.4115.3I509 Q511 C515I509-R513 PolarHBondContact O-N 3.44Å; Q511-R513 VanDerWaalsContact C-N 3.34Å; Q511-R513 PolarHBondContact O-N 3.37Å; R513-C515 VanDerWaalsContact C-N 3.35Å
514E66Low85.6Confident191 Ų19183.7 Ų83.789%0.89341%0.414SS*.THydrogen-bonded Turntrans-79.3-13.1170.8-61.8-174.3175.800113.5L512L512-E514 PolarHBondContact O-N 2.94Å
515C65.4Low85.5Confident50 Ų5085.1 Ų85.134%0.33842%0.422SS..SBendtrans-87.1139.7174.8-65.60000111.8C445 L512 R513 D517 V518C445-C515 VanDerWaalsContact SG-SG 3.63Å; L512-C515 WeakPolarHBondContact O-CB 3.25Å; L512-C515 PolarHBondContact O-N 3.09Å; R513-C515 VanDerWaalsContact C-N 3.35Å; C515-D517 VanDerWaalsContact C-N 3.3Å; C515-D517 PolarHBondContact O-N 3.5Å; C515-V518 HydrophobicContact CB-CG2 4.17Å
516E66.2Low85.6Confident195 Ų19585.1 Ų85.191%0.91142%0.422SS*.THydrogen-bonded Turntrans-65.6-24.6-173.3-70.2-175.8151.200114.4
517D73Confident85.7Confident147 Ų14785.2 Ų85.279%0.78642%0.418SS*.THydrogen-bonded Turntrans-132.263.6-174.4-71.1-45.2000112.9C515 P519C515-D517 VanDerWaalsContact C-N 3.3Å; C515-D517 PolarHBondContact O-N 3.5Å; D517-P519 WeakPolarHBondContact O-CD 3.35Å
518V76.8Confident85.8Confident40 Ų4087.4 Ų87.424%0.24242%0.422CS..  trans-74.6122.8176.7-171.40000110.5I509 L512 C515I509-V518 HydrophobicContact CB-CG1 4.31Å; I509-V518 HydrophobicContact CG1-CG1 4.12Å; I509-V518 HydrophobicContact CG2-CG1 3.86Å; L512-V518 HydrophobicContact CB-CG1 4.39Å; L512-V518 HydrophobicContact CB-CG2 4.2Å; L512-V518 VanDerWaalsContact O-CG2 3.22Å; L512-V518 WeakPolarHBondContact O-CG2 3.12Å; C515-V518 HydrophobicContact CB-CG2 4.17Å
519P84Confident86.1Confident31 Ų3188.3 Ų88.320%0.20143%0.426CS..  trans-68.4143.1-178.727.7-34.8000112C445 S447 I450 D517 I521C445-P519 WeakPolarHBondContact O-CD 3.33Å; C445-P519 WeakPolarHBondContact O-CG 3.45Å; S447-P519 WeakPolarHBondContact OG-CB 3.41Å; S447-P519 WeakPolarHBondContact OG-CG 3.12Å; I450-P519 HydrophobicContact CD1-CG 3.6Å; D517-P519 WeakPolarHBondContact O-CD 3.35Å; P519-I521 PolarHBondContact O-N 2.96Å
520Q88.1Confident86.4Confident186 Ų18687.1 Ų87.187%0.86942%0.42SS*.  trans-83112.3169.6-67.7-170.2-10.400109.6
521I93.9Very high86.7Confident12 Ų1291.2 Ų91.26%0.06242%0.424CS..  trans-104119.5178.3-56.1178000108.6I450 L451 H502 V505 I509 P519 E525I450-I521 HydrophobicContact CB-CD1 3.87Å; I450-I521 HydrophobicContact CD1-CD1 4.37Å; I450-I521 HydrophobicContact CG2-CD1 3.64Å; L451-I521 HydrophobicContact CD2-CG2 4.03Å; L451-I521 HydrophobicContact CG-CD1 4.24Å; L451-I521 HydrophobicContact CG-CG2 4.36Å; H502-I521 PolarHBondContact CE1-O 3.02Å; V505-I521 HydrophobicContact CG1-CB 3.87Å; V505-I521 HydrophobicContact CG1-CD1 3.9Å; V505-I521 HydrophobicContact CG1-CG1 4.42Å; V505-I521 HydrophobicContact CG1-CG2 3.99Å; I509-I521 HydrophobicContact CD1-CB 4.25Å; I509-I521 HydrophobicContact CD1-CD1 4.31Å; I509-I521 HydrophobicContact CD1-CG1 4.23Å; P519-I521 PolarHBondContact O-N 2.96Å; I521-E525 HydrophobicContact CG2-CB 4.4Å
522T96.4Very high87Confident73 Ų7387.9 Ų87.945%0.44841%0.41SS..  trans-81.6161.5178.9640000111.9E524 E525 T526T522-E524 VanDerWaalsContact C-N 3.31Å; T522-E524 PolarHBondContact O-N 3.41Å; T522-E525 PolarHBondContact N-OE2 3.15Å; T522-E525 PolarHBondContact O-N 2.94Å; T522-E525 VanDerWaalsContact OG1-CG 3.26Å; T522-E525 WeakPolarHBondContact OG1-CG 3.45Å; T522-E525 PolarHBondContact OG1-N 2.9Å; T522-E525 PolarHBondContact OG1-OE2 2.96Å; T522-T526 PolarHBondContact O-N 3.39Å; T522-T526 VanDerWaalsContact O-N 3.12Å; T522-T526 PolarHBondContact O-OG1 3.23Å
523F97.9Very high87.5Confident50 Ų5087.8 Ų87.822%0.21941%0.41CS..Hα-helixtrans-62.4-37.8173.6178.7-119.9000112.3H495 A498 L499 H502 E525 T526 K527H495-F523 AromaticContact CD2-CE1 3.97Å; H495-F523 AromaticContact CD2-CZ 3.91Å; H495-F523 AromaticContact NE2-CE1 3.54Å; H495-F523 AromaticContact NE2-CZ 3.7Å; A498-F523 HydrophobicContact CB-CE2 4.11Å; A498-F523 HydrophobicContact CB-CZ 4.33Å; L499-F523 HydrophobicContact CB-CE2 4.45Å; L499-F523 HydrophobicContact CD2-CD2 4.16Å; L499-F523 HydrophobicContact CD2-CE1 4.33Å; L499-F523 HydrophobicContact CD2-CE2 3.56Å; L499-F523 HydrophobicContact CD2-CZ 3.65Å; L499-F523 HydrophobicContact CG-CE2 3.89Å; L499-F523 HydrophobicContact CG-CZ 3.82Å; H502-F523 HydrophobicContact CB-CD2 3.77Å; H502-F523 HydrophobicContact CB-CE2 4.24Å; H502-F523 AromaticContact CD2-CD2 3.91Å; H502-F523 PolarHBondContact CE1-N 3.3Å; H502-F523 AromaticContact CG-CD2 3.74Å; F523-E525 VanDerWaalsContact C-N 3.34Å; F523-E525 PolarHBondContact O-N 3.11Å; F523-T526 WeakPolarHBondContact O-CB 3.29Å; F523-T526 PolarHBondContact O-N 3.04Å; F523-K527 WeakPolarHBondContact O-CB 3.47Å; F523-K527 PolarHBondContact O-N 2.98Å
524E97Very high88.7Confident118 Ų11880 Ų8055%0.55139%0.388SS*.Hα-helixtrans-67.2-35.6-179.8-169.858.4-150.600112T522 K527 R528T522-E524 VanDerWaalsContact C-N 3.31Å; T522-E524 PolarHBondContact O-N 3.41Å; E524-K527 PolarHBondContact O-N 3.44Å; E524-K527 IonicContact OE2-NZ 2.87Å; E524-R528 WeakPolarHBondContact O-CB 3.14Å; E524-R528 PolarHBondContact O-N 2.95Å
525E95.7Very high90Very high72 Ų7276.9 Ų76.934%0.33637%0.372SS..Hα-helixtrans-64.2-42.8171.1-73.8168.4145.900111.9I521 T522 F523 K527 R528 F529I521-E525 HydrophobicContact CG2-CB 4.4Å; T522-E525 PolarHBondContact N-OE2 3.15Å; T522-E525 PolarHBondContact O-N 2.94Å; T522-E525 VanDerWaalsContact OG1-CG 3.26Å; T522-E525 WeakPolarHBondContact OG1-CG 3.45Å; T522-E525 PolarHBondContact OG1-N 2.9Å; T522-E525 PolarHBondContact OG1-OE2 2.96Å; F523-E525 VanDerWaalsContact C-N 3.34Å; F523-E525 PolarHBondContact O-N 3.11Å; E525-K527 VanDerWaalsContact C-N 3.35Å; E525-R528 PolarHBondContact O-N 3.17Å; E525-F529 WeakPolarHBondContact O-CB 3.28Å; E525-F529 PolarHBondContact O-N 2.86Å
526T97.6Very high91.3Very high0 Ų075.3 Ų75.30%036%0.36CS..Hα-helixtrans-62.3-44.4176.5-52.90000110.8L451 V501 H502 V505 T522 F523 R528 F529 C530L451-T526 HydrophobicContact CD2-CG2 4.13Å; V501-T526 HydrophobicContact CB-CG2 4.16Å; V501-T526 HydrophobicContact CG1-CG2 3.77Å; H502-T526 HydrophobicContact CB-CG2 3.88Å; H502-T526 PolarHBondContact ND1-OG1 3.37Å; V505-T526 HydrophobicContact CG2-CG2 4.43Å; T522-T526 PolarHBondContact O-N 3.39Å; T522-T526 VanDerWaalsContact O-N 3.12Å; T522-T526 PolarHBondContact O-OG1 3.23Å; F523-T526 WeakPolarHBondContact O-CB 3.29Å; F523-T526 PolarHBondContact O-N 3.04Å; T526-R528 PolarHBondContact O-N 2.86Å; T526-F529 WeakPolarHBondContact O-CB 3.46Å; T526-F529 PolarHBondContact O-N 2.9Å; T526-F529 VanDerWaalsContact O-N 3.16Å; T526-C530 PolarHBondContact O-N 2.97Å; T526-C530 PolarHBondContact O-SG 3.29Å
527K97.4Very high92.4Very high87 Ų8772.3 Ų72.338%0.37834%0.341SS..Hα-helixtrans-61.5-43.6176.1-174.7-176.8178.5-1730112.1A498 F523 E524 E525 F529 C530 R531A498-K527 HydrophobicContact CB-CB 4.37Å; A498-K527 HydrophobicContact CB-CG 4.45Å; F523-K527 WeakPolarHBondContact O-CB 3.47Å; F523-K527 PolarHBondContact O-N 2.98Å; E524-K527 PolarHBondContact O-N 3.44Å; E524-K527 IonicContact OE2-NZ 2.87Å; E525-K527 VanDerWaalsContact C-N 3.35Å; K527-F529 VanDerWaalsContact C-N 3.3Å; K527-F529 PolarHBondContact O-N 2.86Å; K527-C530 PolarHBondContact O-N 3.03Å; K527-R531 WeakPolarHBondContact O-CB 3.41Å; K527-R531 PolarHBondContact O-N 3.36Å
528R95.3Very high93.2Very high155 Ų15568.1 Ų68.159%0.58532%0.32SS*.Hα-helixtrans-62.9-38174.4-175.7178.167.4-167.8-1.7111.6E524 E525 T526 N532E524-R528 WeakPolarHBondContact O-CB 3.14Å; E524-R528 PolarHBondContact O-N 2.95Å; E525-R528 PolarHBondContact O-N 3.17Å; T526-R528 PolarHBondContact O-N 2.86Å; R528-N532 PolarHBondContact O-N 3.38Å; R528-N532 PolarHBondContact O-ND2 3Å
529F96Very high93.7Very high21 Ų2169.5 Ų69.59%0.09233%0.325CS..Hα-helixtrans-64.8-51.2175.5-176.8-93.7000111.3F448 L451 V452 L455 E525 T526 K527 R531 N532 A533 L536F448-F529 HydrophobicContact CD2-CE2 4.26Å; F448-F529 HydrophobicContact CE2-CE2 4.26Å; L451-F529 HydrophobicContact CB-CD1 3.96Å; L451-F529 HydrophobicContact CB-CD2 3.94Å; L451-F529 HydrophobicContact CB-CE1 3.82Å; L451-F529 HydrophobicContact CB-CE2 3.79Å; L451-F529 HydrophobicContact CB-CG 4.02Å; L451-F529 HydrophobicContact CB-CZ 3.73Å; L451-F529 HydrophobicContact CD1-CB 4.2Å; L451-F529 HydrophobicContact CD1-CD2 3.83Å; L451-F529 HydrophobicContact CD1-CE2 4.37Å; L451-F529 HydrophobicContact CD1-CG 4.03Å; L451-F529 HydrophobicContact CD2-CB 4.2Å; L451-F529 HydrophobicContact CD2-CD1 4.22Å; L451-F529 HydrophobicContact CD2-CG 4.15Å; L451-F529 HydrophobicContact CG-CD2 4.38Å; L451-F529 HydrophobicContact CG-CG 4.3Å; V452-F529 HydrophobicContact CG2-CE2 4.42Å; V452-F529 HydrophobicContact CG2-CZ 3.85Å; L455-F529 HydrophobicContact CB-CE1 3.99Å; L455-F529 HydrophobicContact CD2-CE1 3.87Å; L455-F529 HydrophobicContact CD2-CZ 4.34Å; L455-F529 HydrophobicContact CG-CE1 4.49Å; E525-F529 WeakPolarHBondContact O-CB 3.28Å; E525-F529 PolarHBondContact O-N 2.86Å; T526-F529 WeakPolarHBondContact O-CB 3.46Å; T526-F529 PolarHBondContact O-N 2.9Å; T526-F529 VanDerWaalsContact O-N 3.16Å; K527-F529 VanDerWaalsContact C-N 3.3Å; K527-F529 PolarHBondContact O-N 2.86Å; F529-R531 VanDerWaalsContact C-N 3.32Å; F529-R531 PolarHBondContact O-N 2.89Å; F529-N532 CarbonylContact O-C 3.54Å; F529-N532 PolarHBondContact O-N 2.89Å; F529-A533 PolarHBondContact O-N 3.39Å; F529-L536 HydrophobicContact CD2-CD2 4.06Å; F529-L536 HydrophobicContact CE1-CD1 4.01Å; F529-L536 HydrophobicContact CE2-CD1 4.02Å; F529-L536 HydrophobicContact CE2-CD2 3.47Å; F529-L536 VanDerWaalsContact CE2-CD2 3.47Å; F529-L536 HydrophobicContact CE2-CG 4.41Å; F529-L536 HydrophobicContact CZ-CD1 3.46Å; F529-L536 VanDerWaalsContact CZ-CD1 3.46Å; F529-L536 HydrophobicContact CZ-CD2 3.85Å; F529-L536 HydrophobicContact CZ-CG 4.32Å
530C97.3Very high93.7Very high5 Ų575.1 Ų75.13%0.03435%0.347CS..Hα-helixtrans-56-43.6176-65.80000112.3P468 A498 T526 K527 N532 A533P468-C530 HydrophobicContact CB-CB 4.17Å; P468-C530 HydrophobicContact CG-CB 3.84Å; A498-C530 HydrophobicContact CB-CB 4.36Å; T526-C530 PolarHBondContact O-N 2.97Å; T526-C530 PolarHBondContact O-SG 3.29Å; K527-C530 PolarHBondContact O-N 3.03Å; C530-N532 PolarHBondContact O-N 3.44Å; C530-N532 VanDerWaalsContact O-N 3.14Å; C530-A533 WeakPolarHBondContact O-CB 3.5Å; C530-A533 PolarHBondContact O-N 3.44Å; C530-A533 VanDerWaalsContact O-N 3.16Å
531R95.7Very high93.5Very high144 Ų14469.1 Ų69.154%0.54334%0.335SS..Hα-helixtrans-59.1-27.1177.4-172.8179.5177.7-172.9-2113.4R470 K527 F529R470-R531 HydrophobicContact CG-CG 3.79Å; R470-R531 WeakPolarHBondContact CG-O 3.29Å; R470-R531 PolarHBondContact NE-O 3.25Å; K527-R531 WeakPolarHBondContact O-CB 3.41Å; K527-R531 PolarHBondContact O-N 3.36Å; F529-R531 VanDerWaalsContact C-N 3.32Å; F529-R531 PolarHBondContact O-N 2.89Å
532N93.9Very high93.1Very high63 Ų6371.9 Ų71.934%0.33734%0.344SS..THydrogen-bonded Turntrans-11313.3-178.3-61.9-63.7000112.8R528 F529 C530 A534 F535R528-N532 PolarHBondContact O-N 3.38Å; R528-N532 PolarHBondContact O-ND2 3Å; F529-N532 CarbonylContact O-C 3.54Å; F529-N532 PolarHBondContact O-N 2.89Å; C530-N532 PolarHBondContact O-N 3.44Å; C530-N532 VanDerWaalsContact O-N 3.14Å; N532-A534 PolarHBondContact O-N 2.83Å; N532-A534 VanDerWaalsContact O-N 3.13Å; N532-F535 PolarHBondContact O-N 2.64Å
533A95.6Very high92.8Very high2 Ų271 Ų712%0.01734%0.342CS..G310 helixtrans-57.9-31.3-174.900000113.3V429 L455 L467 P468 F529 C530 F535 L536V429-A533 VanDerWaalsContact CG2-O 3.26Å; V429-A533 WeakPolarHBondContact CG2-O 3.49Å; L455-A533 HydrophobicContact CD1-CB 4.41Å; L455-A533 HydrophobicContact CD2-CB 4.14Å; L467-A533 HydrophobicContact CD1-CB 4.35Å; L467-A533 HydrophobicContact CD2-CB 4.43Å; P468-A533 HydrophobicContact CG-CB 4.3Å; F529-A533 PolarHBondContact O-N 3.39Å; C530-A533 WeakPolarHBondContact O-CB 3.5Å; C530-A533 PolarHBondContact O-N 3.44Å; C530-A533 VanDerWaalsContact O-N 3.16Å; A533-F535 PolarHBondContact O-N 3.2Å; A533-L536 HydrophobicContact CB-CD1 4.44Å; A533-L536 VanDerWaalsContact O-CG 3.29Å; A533-L536 WeakPolarHBondContact O-CG 3.47Å
534A93.9Very high92.2Very high38 Ų3873.9 Ų73.931%0.31436%0.358SS..G310 helixtrans-68.3-16.817700000114P426 V429 L467 N532P426-A534 HydrophobicContact CG-CB 4.48Å; V429-A534 WeakPolarHBondContact CG2-O 3.36Å; L467-A534 HydrophobicContact CD1-CB 4.18Å; N532-A534 PolarHBondContact O-N 2.83Å; N532-A534 VanDerWaalsContact O-N 3.13Å
535F92.3Very high91.8Very high125 Ų12576.8 Ų76.855%0.54837%0.369SS..G310 helixtrans-1108.6-174.6-52.8-68.9000113N532 A533 R537N532-F535 PolarHBondContact O-N 2.64Å; A533-F535 PolarHBondContact O-N 3.2Å; F535-R537 PolarHBondContact O-N 3.37Å
536L93.2Very high91.5Very high17 Ų1777.4 Ų77.49%0.08937%0.372CS..  trans-61.9134.4179.5-61.8174.1000110.4N428 V429 F448 L455 F529 A533N428-L536 PolarHBondContact ND2-O 3.13Å; V429-L536 HydrophobicContact CG2-CB 4.43Å; F448-L536 HydrophobicContact CE2-CD2 4.27Å; L455-L536 HydrophobicContact CD2-CD1 3.56Å; F529-L536 HydrophobicContact CD2-CD2 4.06Å; F529-L536 HydrophobicContact CE1-CD1 4.01Å; F529-L536 HydrophobicContact CE2-CD1 4.02Å; F529-L536 HydrophobicContact CE2-CD2 3.47Å; F529-L536 VanDerWaalsContact CE2-CD2 3.47Å; F529-L536 HydrophobicContact CE2-CG 4.41Å; F529-L536 HydrophobicContact CZ-CD1 3.46Å; F529-L536 VanDerWaalsContact CZ-CD1 3.46Å; F529-L536 HydrophobicContact CZ-CD2 3.85Å; F529-L536 HydrophobicContact CZ-CG 4.32Å; A533-L536 HydrophobicContact CB-CD1 4.44Å; A533-L536 VanDerWaalsContact O-CG 3.29Å; A533-L536 WeakPolarHBondContact O-CG 3.47Å
537R90.3Very high91.1Very high133 Ų13377.6 Ų77.650%0.50237%0.373SS..  trans-144149.4175.2-63.8-161.8-178.9-129.80.6109.7N428 F535N428-R537 HydrophobicContact CB-CG 4.18Å; F535-R537 PolarHBondContact O-N 3.37Å
538V89.9Confident90.6Very high58 Ų5877.6 Ų77.635%0.35237%0.373SS..  trans-124.8113.6169.4172.80000106.9V432 F448 W449V432-V538 HydrophobicContact CG1-CG2 4.29Å; V432-V538 HydrophobicContact CG2-CB 4.3Å; V432-V538 HydrophobicContact CG2-CG2 3.86Å; F448-V538 HydrophobicContact CE1-CG2 3.47Å; F448-V538 VanDerWaalsContact CE1-CG2 3.47Å; F448-V538 HydrophobicContact CZ-CG2 3.6Å; W449-V538 HydrophobicContact CH2-CG1 4.45Å; W449-V538 HydrophobicContact CH2-CG2 3.77Å; W449-V538 HydrophobicContact CZ2-CG1 4.25Å; W449-V538 HydrophobicContact CZ2-CG2 4Å
539I87Confident90.2Very high69 Ų6972.2 Ų72.235%0.35436%0.359SS..  trans-93.2119.9178.4-62.1169.5000107.9I660 P661 N663I539-I660 HydrophobicContact CD1-CG2 4.11Å; I539-P661 HydrophobicContact CD1-CG 3.62Å; I539-N663 HydrophobicContact CG2-CB 4.03Å; I539-N663 VanDerWaalsContact CG2-OD1 3.3Å; I539-N663 WeakPolarHBondContact CG2-OD1 3.49Å
540K84.3Confident89.5Confident150 Ų15078 Ų7865%0.65238%0.384SS*.  trans-95.492171.8-66.7-179.5-177.6175.20108.1
541G83.8Confident88.8Confident60 Ų6085 Ų8562%0.61942%0.421SS*.PPolyproline II helixtrans-61.1149.6175.300000111.8
542R84.8Confident88.4Confident69 Ų6979.9 Ų79.926%0.2641%0.41SS..PPolyproline II helixtrans-100.1143.1171-68.6168.452.5120.41108.8A552 L680R542-A552 PolarHBondContact NH1-O 3.36Å; R542-A552 PolarHBondContact NH2-O 2.92Å; R542-L680 VanDerWaalsContact CZ-O 3.25Å; R542-L680 PolarHBondContact NE-O 3.4Å; R542-L680 PolarHBondContact NH2-O 2.84Å; R542-L680 VanDerWaalsContact NH2-O 3.17Å; R542-L680 PolarHBondContact NH2-OXT 2.85Å
543S89.1Confident88Confident56 Ų5677.5 Ų77.539%0.39240%0.399SS..PPolyproline II helixtrans-75.5150.1175.164.40000110.4K545 Q546 E547S543-K545 PolarHBondContact O-N 3.31Å; S543-K545 VanDerWaalsContact O-N 3.11Å; S543-Q546 WeakPolarHBondContact O-CA 3.3Å; S543-Q546 WeakPolarHBondContact O-CB 3.3Å; S543-Q546 PolarHBondContact O-N 2.99Å; S543-Q546 WeakPolarHBondContact OG-CG 3.39Å; S543-Q546 PolarHBondContact OG-N 3.29Å; S543-Q546 PolarHBondContact OG-OE1 3.48Å; S543-E547 PolarHBondContact O-N 2.9Å; S543-E547 VanDerWaalsContact O-N 3.13Å
544L87.2Confident87.7Confident109 Ų10979.8 Ų79.857%0.57141%0.411SS*.Hα-helixtrans-50.6-38.7171.2-70.8175.2000111.4Q546 E547 F548L544-Q546 VanDerWaalsContact C-N 3.28Å; L544-Q546 PolarHBondContact O-N 2.75Å; L544-E547 WeakPolarHBondContact O-CB 3.45Å; L544-E547 PolarHBondContact O-N 3.37Å; L544-F548 HydrophobicContact CB-CD2 4.13Å; L544-F548 HydrophobicContact CB-CE2 4.02Å; L544-F548 HydrophobicContact CD2-CE2 4.19Å; L544-F548 WeakPolarHBondContact O-CD2 3.14Å; L544-F548 PolarHBondContact O-N 2.95Å
545K88Confident87.5Confident180 Ų18079.7 Ų79.778%0.78341%0.41SS*.Hα-helixtrans-58-37.7176.4-174.9179.1178-177.70113.1S543 S549S543-K545 PolarHBondContact O-N 3.31Å; S543-K545 VanDerWaalsContact O-N 3.11Å; K545-S549 WeakPolarHBondContact O-CB 3.4Å; K545-S549 PolarHBondContact O-N 3.5Å
546Q89.2Confident87.4Confident85 Ų8577.2 Ų77.240%0.39741%0.413SS..Hα-helixtrans-72.9-41.6177.1-71.8163.5-59.200111.3S543 L544 F548 S549 A552 A553S543-Q546 WeakPolarHBondContact O-CA 3.3Å; S543-Q546 WeakPolarHBondContact O-CB 3.3Å; S543-Q546 PolarHBondContact O-N 2.99Å; S543-Q546 WeakPolarHBondContact OG-CG 3.39Å; S543-Q546 PolarHBondContact OG-N 3.29Å; S543-Q546 PolarHBondContact OG-OE1 3.48Å; L544-Q546 VanDerWaalsContact C-N 3.28Å; L544-Q546 PolarHBondContact O-N 2.75Å; Q546-F548 VanDerWaalsContact C-N 3.31Å; Q546-F548 PolarHBondContact O-N 3.31Å; Q546-S549 WeakPolarHBondContact O-CB 3.37Å; Q546-S549 PolarHBondContact O-N 2.89Å; Q546-S549 VanDerWaalsContact O-N 3.15Å; Q546-A552 HydrophobicContact CB-CB 4.17Å; Q546-A552 HydrophobicContact CG-CB 4.44Å; Q546-A553 PolarHBondContact O-N 3.02Å
547E88.4Confident87.3Confident4 Ų478.2 Ų78.22%0.01942%0.418CS..Hα-helixtrans-60.6-38.5175-176.6-176.9130.400112.6S543 L544 S549 Y572 R576 N664 T665 L680S543-E547 PolarHBondContact O-N 2.9Å; S543-E547 VanDerWaalsContact O-N 3.13Å; L544-E547 WeakPolarHBondContact O-CB 3.45Å; L544-E547 PolarHBondContact O-N 3.37Å; E547-S549 VanDerWaalsContact C-N 3.34Å; E547-Y572 VanDerWaalsContact CD-OH 3.23Å; E547-Y572 VanDerWaalsContact CG-OH 3.26Å; E547-Y572 WeakPolarHBondContact CG-OH 3.33Å; E547-Y572 WeakPolarHBondContact OE1-CE2 3.45Å; E547-Y572 PolarHBondContact OE1-OH 3.13Å; E547-R576 PolarHBondContact O-NH1 3.45Å; E547-R576 VanDerWaalsContact O-NH1 3.15Å; E547-N664 PolarHBondContact OE2-OD1 3.31Å; E547-T665 PolarHBondContact OE2-OG1 3.26Å; E547-L680 HydrophobicContact CG-CB 3.66Å
548F87.5Confident87.4Confident87 Ų8771.9 Ų71.938%0.38239%0.394SS..Hα-helixtrans-80.1-13.8176.8-72.3-68.5000113.8L544 Q546 R576L544-F548 HydrophobicContact CB-CD2 4.13Å; L544-F548 HydrophobicContact CB-CE2 4.02Å; L544-F548 HydrophobicContact CD2-CE2 4.19Å; L544-F548 WeakPolarHBondContact O-CD2 3.14Å; L544-F548 PolarHBondContact O-N 2.95Å; Q546-F548 VanDerWaalsContact C-N 3.31Å; Q546-F548 PolarHBondContact O-N 3.31Å; F548-R576 HydrophobicContact CE1-CG 3.92Å
549S86.9Confident87.4Confident42 Ų4271.3 Ų71.329%0.29439%0.388SS..  trans-79.1132.8-178.1177.10000111.5K545 Q546 E547 D551 A552 A553K545-S549 WeakPolarHBondContact O-CB 3.4Å; K545-S549 PolarHBondContact O-N 3.5Å; Q546-S549 WeakPolarHBondContact O-CB 3.37Å; Q546-S549 PolarHBondContact O-N 2.89Å; Q546-S549 VanDerWaalsContact O-N 3.15Å; E547-S549 VanDerWaalsContact C-N 3.34Å; S549-D551 VanDerWaalsContact C-N 3.25Å; S549-D551 PolarHBondContact O-N 2.91Å; S549-D551 PolarHBondContact OG-N 3.4Å; S549-A552 PolarHBondContact O-N 2.95Å; S549-A553 WeakPolarHBondContact O-CB 3.36Å; S549-A553 PolarHBondContact O-N 2.97Å
550K80.5Confident87.6Confident141 Ų14170.9 Ų70.961%0.61339%0.391SS*.THydrogen-bonded Turntrans-57.8-37.7177-172.3-179.9176.9-175.70112.9
551D83.4Confident88Confident152 Ų15266.1 Ų66.181%0.81337%0.371SS*.THydrogen-bonded Turntrans-91.9-19.5-172.5-54.5-41000113S549S549-D551 VanDerWaalsContact C-N 3.25Å; S549-D551 PolarHBondContact O-N 2.91Å; S549-D551 PolarHBondContact OG-N 3.4Å
552A86.4Confident88.4Confident38 Ų3864 Ų6431%0.31435%0.346SS..THydrogen-bonded Turntrans-104.1-25.3-176.900000113.1R542 Q546 S549R542-A552 PolarHBondContact NH1-O 3.36Å; R542-A552 PolarHBondContact NH2-O 2.92Å; Q546-A552 HydrophobicContact CB-CB 4.17Å; Q546-A552 HydrophobicContact CG-CB 4.44Å; S549-A552 PolarHBondContact O-N 2.95Å
553A86.5Confident88.6Confident12 Ų1268.1 Ų68.110%0.09937%0.365CS..SBendtrans-55.1146179.200000112.1Q546 S549 A555 L614Q546-A553 PolarHBondContact O-N 3.02Å; S549-A553 WeakPolarHBondContact O-CB 3.36Å; S549-A553 PolarHBondContact O-N 2.97Å; A553-A555 PolarHBondContact O-N 2.96Å; A553-L614 HydrophobicContact CB-CD2 3.7Å
554N89.1Confident88.5Confident50 Ų5067.5 Ų67.527%0.26737%0.367SS..  trans-76.667.8177.2-166.1-7.6000110.9A556 L557 I558 E679 L680N554-A556 PolarHBondContact O-N 3.47Å; N554-L557 HydrophobicContact CB-CB 4.19Å; N554-L557 VanDerWaalsContact CG-CB 3.43Å; N554-L557 WeakPolarHBondContact ND2-CB 3.35Å; N554-L557 PolarHBondContact O-N 3.05Å; N554-L557 VanDerWaalsContact O-N 3.14Å; N554-L557 WeakPolarHBondContact OD1-CB 3.44Å; N554-L557 PolarHBondContact OD1-N 3.44Å; N554-I558 WeakPolarHBondContact O-CG1 3.36Å; N554-I558 PolarHBondContact O-N 3.33Å; N554-E679 WeakPolarHBondContact CB-O 3.35Å; N554-E679 PolarHBondContact ND2-O 3.48Å; N554-L680 VanDerWaalsContact CB-OXT 3.32Å; N554-L680 WeakPolarHBondContact CB-OXT 3.22Å; N554-L680 PolarHBondContact N-OXT 2.91Å
555A89.4Confident88.4Confident36 Ų3671.5 Ų71.530%0.29838%0.383SS..Hα-helixtrans-55.5-35.1-178.600000112.6A553 I558 E559 L614A553-A555 PolarHBondContact O-N 2.96Å; A555-I558 PolarHBondContact O-N 2.89Å; A555-E559 WeakPolarHBondContact O-CB 3.18Å; A555-E559 WeakPolarHBondContact O-CG 3.45Å; A555-E559 PolarHBondContact O-N 3.46Å; A555-L614 VanDerWaalsContact CB-O 3.26Å; A555-L614 WeakPolarHBondContact CB-O 3.29Å
556A90.4Very high88.3Confident73 Ų7365 Ų6560%0.60336%0.357SS*.Hα-helixtrans-64.5-43.8178.300000112.4N554 E559 S560N554-A556 PolarHBondContact O-N 3.47Å; A556-E559 PolarHBondContact O-N 2.91Å; A556-S560 PolarHBondContact O-N 3.19Å; A556-S560 PolarHBondContact O-OG 3.03Å
557L91.1Very high88.3Confident38 Ų3865.3 Ų65.320%0.19936%0.355CS..Hα-helixtrans-65.3-45.5174.5178.466.3000110.9N554 E559 S560 E561 F678 E679 L680N554-L557 HydrophobicContact CB-CB 4.19Å; N554-L557 VanDerWaalsContact CG-CB 3.43Å; N554-L557 WeakPolarHBondContact ND2-CB 3.35Å; N554-L557 PolarHBondContact O-N 3.05Å; N554-L557 VanDerWaalsContact O-N 3.14Å; N554-L557 WeakPolarHBondContact OD1-CB 3.44Å; N554-L557 PolarHBondContact OD1-N 3.44Å; L557-E559 VanDerWaalsContact C-N 3.27Å; L557-E559 PolarHBondContact O-N 2.84Å; L557-S560 WeakPolarHBondContact CA-OG 3.37Å; L557-S560 PolarHBondContact O-N 3.47Å; L557-S560 VanDerWaalsContact O-N 3.13Å; L557-S560 PolarHBondContact O-OG 3.34Å; L557-E561 HydrophobicContact CD1-CG 4.08Å; L557-E561 HydrophobicContact CG-CG 4.3Å; L557-E561 WeakPolarHBondContact O-CG 3.28Å; L557-E561 PolarHBondContact O-N 3.38Å; L557-F678 HydrophobicContact CD2-CB 4.47Å; L557-E679 WeakPolarHBondContact CD2-O 3.26Å; L557-L680 HydrophobicContact CD2-CD2 4.31Å
558I91.8Very high88.6Confident1 Ų165.2 Ų65.21%0.00535%0.354CS..Hα-helixtrans-58.1-44.8177.6-64.5171.4000110N554 A555 E561 L562 M569 L573 L614 L680N554-I558 WeakPolarHBondContact O-CG1 3.36Å; N554-I558 PolarHBondContact O-N 3.33Å; A555-I558 PolarHBondContact O-N 2.89Å; I558-E561 PolarHBondContact O-N 3.21Å; I558-L562 HydrophobicContact CG2-CD1 3.79Å; I558-L562 HydrophobicContact CG2-CG 4.3Å; I558-L562 WeakPolarHBondContact O-CB 3.49Å; I558-L562 WeakPolarHBondContact O-CG 3.21Å; I558-L562 PolarHBondContact O-N 3.41Å; I558-M569 HydrophobicContact CB-SD 4.49Å; I558-M569 HydrophobicContact CG1-SD 4.13Å; I558-M569 HydrophobicContact CG2-CG 4.25Å; I558-M569 HydrophobicContact CG2-SD 4.21Å; I558-L573 HydrophobicContact CG2-CD1 4.33Å; I558-L614 HydrophobicContact CD1-CB 4.41Å; I558-L614 HydrophobicContact CD1-CD1 4.1Å; I558-L680 HydrophobicContact CD1-CD2 4.19Å; I558-L680 HydrophobicContact CG1-CD2 3.68Å
559E91.4Very high89Confident45 Ų4561.1 Ų61.121%0.2134%0.336CS..Hα-helixtrans-62.4-40.6175.4-80.7-165.2168.100113.5A555 A556 L557 K563 S615 T616 I617A555-E559 WeakPolarHBondContact O-CB 3.18Å; A555-E559 WeakPolarHBondContact O-CG 3.45Å; A555-E559 PolarHBondContact O-N 3.46Å; A556-E559 PolarHBondContact O-N 2.91Å; L557-E559 VanDerWaalsContact C-N 3.27Å; L557-E559 PolarHBondContact O-N 2.84Å; E559-K563 WeakPolarHBondContact O-CG 3.38Å; E559-K563 PolarHBondContact O-N 3.2Å; E559-S615 VanDerWaalsContact CG-OG 3.28Å; E559-S615 WeakPolarHBondContact CG-OG 3.37Å; E559-S615 WeakPolarHBondContact OE1-CA 3.43Å; E559-T616 PolarHBondContact OE1-N 3.47Å; E559-T616 PolarHBondContact OE1-OG1 2.78Å; E559-I617 HydrophobicContact CB-CD1 4.06Å; E559-I617 HydrophobicContact CG-CD1 4.2Å; E559-I617 HydrophobicContact CG-CG1 4.46Å; E559-I617 WeakPolarHBondContact O-CD1 3.27Å
560S91.6Very high89.3Confident60 Ų6060 Ų6042%0.4233%0.327SS..Hα-helixtrans-65.8-44.3177.762.10000111.6A556 L557 L562 K563 G564A556-S560 PolarHBondContact O-N 3.19Å; A556-S560 PolarHBondContact O-OG 3.03Å; L557-S560 WeakPolarHBondContact CA-OG 3.37Å; L557-S560 PolarHBondContact O-N 3.47Å; L557-S560 VanDerWaalsContact O-N 3.13Å; L557-S560 PolarHBondContact O-OG 3.34Å; S560-L562 PolarHBondContact O-N 2.7Å; S560-K563 PolarHBondContact O-N 3.01Å; S560-G564 PolarHBondContact O-N 3.41Å
561E92.5Very high90Very high50 Ų5055 Ų5523%0.23430%0.304CS..Hα-helixtrans-65.4-37.8179.6-67.4-51.5132.600112.1L557 I558 K563 G564 M569 F678L557-E561 HydrophobicContact CD1-CG 4.08Å; L557-E561 HydrophobicContact CG-CG 4.3Å; L557-E561 WeakPolarHBondContact O-CG 3.28Å; L557-E561 PolarHBondContact O-N 3.38Å; I558-E561 PolarHBondContact O-N 3.21Å; E561-K563 VanDerWaalsContact C-N 3.26Å; E561-K563 PolarHBondContact O-N 3.21Å; E561-G564 PolarHBondContact O-N 3.34Å; E561-M569 HydrophobicContact CB-CB 3.85Å; E561-M569 HydrophobicContact CB-CE 3.75Å; E561-M569 HydrophobicContact CB-CG 3.92Å; E561-M569 HydrophobicContact CG-CE 3.74Å; E561-F678 HydrophobicContact CG-CD1 3.94Å; E561-F678 HydrophobicContact CG-CE1 3.78Å
562L92Very high90.5Very high17 Ų1748.4 Ų48.49%0.08927%0.268CS..Hα-helixtrans-68.5-20.3176.2-70.7172.2000114I558 S560 G564 M569 I570 L573 L611 I617 V619I558-L562 HydrophobicContact CG2-CD1 3.79Å; I558-L562 HydrophobicContact CG2-CG 4.3Å; I558-L562 WeakPolarHBondContact O-CB 3.49Å; I558-L562 WeakPolarHBondContact O-CG 3.21Å; I558-L562 PolarHBondContact O-N 3.41Å; S560-L562 PolarHBondContact O-N 2.7Å; L562-G564 VanDerWaalsContact C-N 3.33Å; L562-M569 HydrophobicContact CD2-CB 4.19Å; L562-M569 HydrophobicContact CD2-CG 3.87Å; L562-M569 HydrophobicContact CG-CG 3.93Å; L562-I570 HydrophobicContact CD2-CG1 3.84Å; L562-L573 HydrophobicContact CD1-CD1 4.13Å; L562-L573 HydrophobicContact CD2-CD1 4.08Å; L562-L611 HydrophobicContact CD1-CD1 3.51Å; L562-I617 HydrophobicContact CB-CD1 4.09Å; L562-V619 HydrophobicContact CB-CG2 4.35Å; L562-V619 HydrophobicContact CD2-CG2 4.2Å
563K89.3Confident90.9Very high155 Ų15546.7 Ų46.767%0.67425%0.253SS*.Hα-helixtrans-79.5-20170.9-68.3175.1-172.9168.80112.3E559 S560 E561 I617E559-K563 WeakPolarHBondContact O-CG 3.38Å; E559-K563 PolarHBondContact O-N 3.2Å; S560-K563 PolarHBondContact O-N 3.01Å; E561-K563 VanDerWaalsContact C-N 3.26Å; E561-K563 PolarHBondContact O-N 3.21Å; K563-I617 HydrophobicContact CD-CD1 4.27Å; K563-I617 HydrophobicContact CG-CD1 3.59Å
564G86.8Confident91.4Very high42 Ų4246.1 Ų46.143%0.43325%0.249SC..SBendtrans-71.4169.5179.500000112.8S560 E561 L562S560-G564 PolarHBondContact O-N 3.41Å; E561-G564 PolarHBondContact O-N 3.34Å; L562-G564 VanDerWaalsContact C-N 3.33Å
565E83.8Confident91.6Very high193 Ų19347.6 Ų47.690%0.90226%0.256SS*.SBendtrans-77.6-14.7174-62.3-174.5171.900112.5
566N85.8Confident91.8Very high43 Ų4347 Ų4723%0.2325%0.246CC..  trans-73.5130.5-178.2-164-18.8000111.4L568N566-L568 WeakPolarHBondContact ND2-CD1 3.4Å; N566-L568 WeakPolarHBondContact OD1-CB 3.44Å; N566-L568 WeakPolarHBondContact OD1-CG 3.3Å; N566-L568 PolarHBondContact OD1-N 2.86Å
567R90.4Very high92.1Very high93 Ų9343.6 Ų43.635%0.35122%0.218SC..  trans-90.8-5-179.7-64.2178.4175.3-179.2-3.5113.5M569 I570 W571 L624R567-M569 VanDerWaalsContact C-N 3.32Å; R567-M569 PolarHBondContact O-N 3.39Å; R567-I570 WeakPolarHBondContact O-CA 3.46Å; R567-I570 WeakPolarHBondContact O-CB 3.49Å; R567-I570 PolarHBondContact O-N 3.35Å; R567-W571 PolarHBondContact O-N 2.91Å; R567-L624 HydrophobicContact CB-CD1 4.37Å; R567-L624 HydrophobicContact CG-CD1 4.44Å
568L94.7Very high92.3Very high1 Ų142 Ų421%0.00521%0.21CC..Hα-helixtrans-58.2-40.4-177.7-70.9175.2000112.9N566 I570 W571 Y572 V667 D669 D676 F678N566-L568 WeakPolarHBondContact ND2-CD1 3.4Å; N566-L568 WeakPolarHBondContact OD1-CB 3.44Å; N566-L568 WeakPolarHBondContact OD1-CG 3.3Å; N566-L568 PolarHBondContact OD1-N 2.86Å; L568-I570 VanDerWaalsContact C-N 3.28Å; L568-I570 PolarHBondContact O-N 2.94Å; L568-W571 WeakPolarHBondContact O-CB 3.3Å; L568-W571 PolarHBondContact O-N 2.79Å; L568-W571 VanDerWaalsContact O-N 3.15Å; L568-Y572 PolarHBondContact O-N 3.15Å; L568-V667 HydrophobicContact CB-CB 4.4Å; L568-V667 HydrophobicContact CB-CG1 4.35Å; L568-V667 HydrophobicContact CD2-CB 4.27Å; L568-V667 HydrophobicContact CD2-CG1 3.94Å; L568-D669 HydrophobicContact CD2-CB 3.78Å; L568-D676 HydrophobicContact CD1-CB 3.46Å; L568-D676 VanDerWaalsContact CD1-CB 3.46Å; L568-F678 HydrophobicContact CB-CE2 4Å; L568-F678 HydrophobicContact CB-CZ 3.84Å; L568-F678 HydrophobicContact CD1-CZ 4.47Å
569M94.6Very high92.4Very high2 Ų246.8 Ų46.81%0.0123%0.233CC..Hα-helixtrans-63-36.9175.9-170.252.763.400112.1I558 E561 L562 R567 Y572 L573 F678 L680I558-M569 HydrophobicContact CB-SD 4.49Å; I558-M569 HydrophobicContact CG1-SD 4.13Å; I558-M569 HydrophobicContact CG2-CG 4.25Å; I558-M569 HydrophobicContact CG2-SD 4.21Å; E561-M569 HydrophobicContact CB-CB 3.85Å; E561-M569 HydrophobicContact CB-CE 3.75Å; E561-M569 HydrophobicContact CB-CG 3.92Å; E561-M569 HydrophobicContact CG-CE 3.74Å; L562-M569 HydrophobicContact CD2-CB 4.19Å; L562-M569 HydrophobicContact CD2-CG 3.87Å; L562-M569 HydrophobicContact CG-CG 3.93Å; R567-M569 VanDerWaalsContact C-N 3.32Å; R567-M569 PolarHBondContact O-N 3.39Å; M569-Y572 PolarHBondContact O-N 3.28Å; M569-Y572 HydrophobicContact SD-CD1 3.86Å; M569-L573 WeakPolarHBondContact O-CG 3.33Å; M569-L573 PolarHBondContact O-N 2.77Å; M569-F678 HydrophobicContact CE-CB 4.17Å; M569-F678 HydrophobicContact CE-CD1 3.41Å; M569-F678 VanDerWaalsContact CE-CD1 3.41Å; M569-F678 HydrophobicContact CE-CD2 4.09Å; M569-F678 HydrophobicContact CE-CE1 3.72Å; M569-F678 HydrophobicContact CE-CE2 4.35Å; M569-F678 HydrophobicContact CE-CG 3.61Å; M569-F678 HydrophobicContact CE-CZ 4.17Å; M569-L680 HydrophobicContact CE-CD2 3.83Å; M569-L680 HydrophobicContact SD-CD2 4.25Å
570I94.3Very high92.5Very high19 Ų1950 Ų5010%0.09724%0.243CC..Hα-helixtrans-66-42.2175.5-56.3172.2000109.9L562 R567 L568 Y572 L573 L574 F607 V619 C621 L624L562-I570 HydrophobicContact CD2-CG1 3.84Å; R567-I570 WeakPolarHBondContact O-CA 3.46Å; R567-I570 WeakPolarHBondContact O-CB 3.49Å; R567-I570 PolarHBondContact O-N 3.35Å; L568-I570 VanDerWaalsContact C-N 3.28Å; L568-I570 PolarHBondContact O-N 2.94Å; I570-Y572 PolarHBondContact O-N 3.19Å; I570-L573 PolarHBondContact O-N 3.09Å; I570-L574 HydrophobicContact CG2-CD1 3.97Å; I570-L574 HydrophobicContact CG2-CG 4.28Å; I570-L574 WeakPolarHBondContact O-CB 3.36Å; I570-L574 VanDerWaalsContact O-CG 3.29Å; I570-L574 WeakPolarHBondContact O-CG 3.48Å; I570-L574 PolarHBondContact O-N 3.14Å; I570-F607 HydrophobicContact CG2-CE2 4.12Å; I570-F607 HydrophobicContact CG2-CZ 3.96Å; I570-V619 HydrophobicContact CD1-CG1 3.74Å; I570-V619 HydrophobicContact CG1-CG1 4.2Å; I570-C621 HydrophobicContact CG2-CB 4.25Å; I570-C621 VanDerWaalsContact CG2-SG 3.57Å; I570-L624 HydrophobicContact CB-CD1 4.25Å; I570-L624 HydrophobicContact CD1-CD1 4.33Å; I570-L624 HydrophobicContact CG2-CD1 3.8Å
571W94.9Very high92.7Very high36 Ų3647.2 Ų47.214%0.13622%0.223CC..Hα-helixtrans-60-45.1175.5-70.8133.2000112.5R567 L568 L573 L574 L575 L624 E627 M628 V667 D669R567-W571 PolarHBondContact O-N 2.91Å; L568-W571 WeakPolarHBondContact O-CB 3.3Å; L568-W571 PolarHBondContact O-N 2.79Å; L568-W571 VanDerWaalsContact O-N 3.15Å; W571-L573 PolarHBondContact O-N 3.44Å; W571-L574 HydrophobicContact CE3-CD1 3.74Å; W571-L574 HydrophobicContact CZ3-CD1 3.89Å; W571-L574 PolarHBondContact O-N 3.22Å; W571-L575 WeakPolarHBondContact O-CG 3.39Å; W571-L575 PolarHBondContact O-N 3.16Å; W571-L624 HydrophobicContact CH2-CB 3.81Å; W571-L624 HydrophobicContact CH2-CD2 3.66Å; W571-L624 HydrophobicContact CH2-CG 4.22Å; W571-L624 HydrophobicContact CZ2-CB 4.42Å; W571-L624 HydrophobicContact CZ2-CD2 3.57Å; W571-L624 HydrophobicContact CZ2-CG 4.38Å; W571-L624 HydrophobicContact CZ3-CB 3.85Å; W571-E627 HydrophobicContact CH2-CB 4.06Å; W571-E627 HydrophobicContact CH2-CG 3.9Å; W571-M628 HydrophobicContact CE3-CE 4.09Å; W571-M628 HydrophobicContact CZ3-CE 4.39Å; W571-V667 HydrophobicContact CB-CG1 4.24Å; W571-D669 PolarHBondContact NE1-OD2 3.38Å
572Y94.7Very high92.9Very high13 Ų1350.8 Ų50.85%0.05123%0.234CC..Hα-helixtrans-56.9-49.2174.1165.5-99000112.2E547 L568 M569 I570 L574 L575 R576 T665 L680E547-Y572 VanDerWaalsContact CD-OH 3.23Å; E547-Y572 VanDerWaalsContact CG-OH 3.26Å; E547-Y572 WeakPolarHBondContact CG-OH 3.33Å; E547-Y572 WeakPolarHBondContact OE1-CE2 3.45Å; E547-Y572 PolarHBondContact OE1-OH 3.13Å; L568-Y572 PolarHBondContact O-N 3.15Å; M569-Y572 PolarHBondContact O-N 3.28Å; M569-Y572 HydrophobicContact SD-CD1 3.86Å; I570-Y572 PolarHBondContact O-N 3.19Å; Y572-L574 VanDerWaalsContact C-N 3.3Å; Y572-L574 PolarHBondContact O-N 2.95Å; Y572-L575 WeakPolarHBondContact O-CB 3.48Å; Y572-L575 PolarHBondContact O-N 3.17Å; Y572-R576 HydrophobicContact CE1-CG 4.39Å; Y572-R576 HydrophobicContact CE2-CG 4.33Å; Y572-R576 PolarHBondContact O-N 2.93Å; Y572-R576 VanDerWaalsContact OH-CD 3.27Å; Y572-R576 WeakPolarHBondContact OH-CD 3.4Å; Y572-R576 PolarHBondContact OH-NH1 3.08Å; Y572-R576 VanDerWaalsContact OH-NH1 3.12Å; Y572-T665 HydrophobicContact CD2-CG2 3.9Å; Y572-T665 HydrophobicContact CE2-CG2 3.99Å; Y572-L680 HydrophobicContact CD1-CD1 3.9Å; Y572-L680 HydrophobicContact CD2-CD1 3.93Å; Y572-L680 HydrophobicContact CE1-CD1 3.51Å; Y572-L680 HydrophobicContact CE2-CD1 3.52Å; Y572-L680 HydrophobicContact CG-CD1 4.1Å
573L94.5Very high93Very high1 Ų154.3 Ų54.31%0.00527%0.266CS..Hα-helixtrans-64.8-33.9178.2-68.3178.6000112.4I558 L562 M569 I570 W571 R576 A577 F607 I610 L611 L614I558-L573 HydrophobicContact CG2-CD1 4.33Å; L562-L573 HydrophobicContact CD1-CD1 4.13Å; L562-L573 HydrophobicContact CD2-CD1 4.08Å; M569-L573 WeakPolarHBondContact O-CG 3.33Å; M569-L573 PolarHBondContact O-N 2.77Å; I570-L573 PolarHBondContact O-N 3.09Å; W571-L573 PolarHBondContact O-N 3.44Å; L573-R576 PolarHBondContact O-N 3.44Å; L573-A577 PolarHBondContact O-N 2.82Å; L573-F607 HydrophobicContact CB-CD2 4.17Å; L573-F607 HydrophobicContact CB-CE2 3.65Å; L573-I610 HydrophobicContact CD2-CG2 4.11Å; L573-L611 HydrophobicContact CD1-CD1 3.98Å; L573-L614 HydrophobicContact CD2-CD1 3.89Å
574L95.8Very high93.2Very high0 Ų051.4 Ų51.40%026%0.255CS..Hα-helixtrans-68.2-38173.7-74.7171.1000112.3I570 W571 Y572 R576 A577 A578 F607 L624 I625 M628I570-L574 HydrophobicContact CG2-CD1 3.97Å; I570-L574 HydrophobicContact CG2-CG 4.28Å; I570-L574 WeakPolarHBondContact O-CB 3.36Å; I570-L574 VanDerWaalsContact O-CG 3.29Å; I570-L574 WeakPolarHBondContact O-CG 3.48Å; I570-L574 PolarHBondContact O-N 3.14Å; W571-L574 HydrophobicContact CE3-CD1 3.74Å; W571-L574 HydrophobicContact CZ3-CD1 3.89Å; W571-L574 PolarHBondContact O-N 3.22Å; Y572-L574 VanDerWaalsContact C-N 3.3Å; Y572-L574 PolarHBondContact O-N 2.95Å; L574-R576 VanDerWaalsContact C-N 3.33Å; L574-A577 WeakPolarHBondContact O-CB 3.44Å; L574-A577 PolarHBondContact O-N 2.95Å; L574-A578 WeakPolarHBondContact O-CB 3.43Å; L574-A578 PolarHBondContact O-N 3.05Å; L574-F607 HydrophobicContact CD2-CB 4.21Å; L574-F607 HydrophobicContact CD2-CD2 3.46Å; L574-F607 VanDerWaalsContact CD2-CD2 3.46Å; L574-F607 HydrophobicContact CD2-CE2 3.95Å; L574-F607 HydrophobicContact CD2-CG 3.88Å; L574-F607 HydrophobicContact CG-CD2 3.84Å; L574-F607 HydrophobicContact CG-CE2 3.89Å; L574-L624 HydrophobicContact CD1-CB 3.72Å; L574-I625 HydrophobicContact CD2-CG1 3.63Å; L574-M628 HydrophobicContact CB-CE 3.71Å; L574-M628 HydrophobicContact CB-CG 4.47Å
575L94.6Very high93.5Very high82 Ų8254.1 Ų54.143%0.42926%0.255SS..Hα-helixtrans-61.5-42.9172.9-72.1168000110.6W571 Y572 A577 A578 E579 M628W571-L575 WeakPolarHBondContact O-CG 3.39Å; W571-L575 PolarHBondContact O-N 3.16Å; Y572-L575 WeakPolarHBondContact O-CB 3.48Å; Y572-L575 PolarHBondContact O-N 3.17Å; L575-A577 VanDerWaalsContact C-N 3.33Å; L575-A577 PolarHBondContact O-N 3.14Å; L575-A578 PolarHBondContact O-N 3.23Å; L575-E579 PolarHBondContact O-N 3.29Å; L575-M628 HydrophobicContact CD2-CE 3.81Å; L575-M628 HydrophobicContact CD2-SD 4.27Å; L575-M628 HydrophobicContact CG-CE 3.95Å
576R93.6Very high94Very high24 Ų2448.2 Ų48.29%0.09125%0.245CC..Hα-helixtrans-60.8-41.3172.4-67.5-173.251166.4-1.4112.6E547 F548 Y572 L573 L574 A578 E579 R580 I610E547-R576 PolarHBondContact O-NH1 3.45Å; E547-R576 VanDerWaalsContact O-NH1 3.15Å; F548-R576 HydrophobicContact CE1-CG 3.92Å; Y572-R576 HydrophobicContact CE1-CG 4.39Å; Y572-R576 HydrophobicContact CE2-CG 4.33Å; Y572-R576 PolarHBondContact O-N 2.93Å; Y572-R576 VanDerWaalsContact OH-CD 3.27Å; Y572-R576 WeakPolarHBondContact OH-CD 3.4Å; Y572-R576 PolarHBondContact OH-NH1 3.08Å; Y572-R576 VanDerWaalsContact OH-NH1 3.12Å; L573-R576 PolarHBondContact O-N 3.44Å; L574-R576 VanDerWaalsContact C-N 3.33Å; R576-A578 VanDerWaalsContact C-N 3.33Å; R576-E579 PolarHBondContact O-N 3.11Å; R576-R580 PolarHBondContact O-N 3.28Å; R576-I610 HydrophobicContact CB-CD1 4Å
577A95.1Very high94.4Very high0 Ų047.6 Ų47.60%024%0.24CC..Hα-helixtrans-64.9-38.2176.500000111.8L573 L574 L575 R580 F581 L603 R606 F607 I610L573-A577 PolarHBondContact O-N 2.82Å; L574-A577 WeakPolarHBondContact O-CB 3.44Å; L574-A577 PolarHBondContact O-N 2.95Å; L575-A577 VanDerWaalsContact C-N 3.33Å; L575-A577 PolarHBondContact O-N 3.14Å; A577-R580 PolarHBondContact O-N 3.01Å; A577-F581 WeakPolarHBondContact O-CB 3.25Å; A577-F581 PolarHBondContact O-N 3.4Å; A577-L603 HydrophobicContact CB-CD1 3.72Å; A577-R606 HydrophobicContact CB-CB 4.31Å; A577-F607 HydrophobicContact CB-CB 4.02Å; A577-I610 HydrophobicContact CB-CD1 4.04Å
578A95.8Very high94.6Very high5 Ų546.4 Ų46.44%0.04124%0.236CC..Hα-helixtrans-68.1-38.3176.600000112.3L574 L575 R576 F581 R582 P589 M628L574-A578 WeakPolarHBondContact O-CB 3.43Å; L574-A578 PolarHBondContact O-N 3.05Å; L575-A578 PolarHBondContact O-N 3.23Å; R576-A578 VanDerWaalsContact C-N 3.33Å; A578-F581 WeakPolarHBondContact O-CB 3.04Å; A578-F581 PolarHBondContact O-N 3.35Å; A578-R582 PolarHBondContact O-N 3.28Å; A578-P589 HydrophobicContact CB-CG 4.05Å; A578-M628 HydrophobicContact CB-CG 4.44Å; A578-M628 HydrophobicContact CB-SD 4.47Å
579E93.7Very high94.7Very high102 Ų10246.4 Ų46.448%0.47724%0.236SC..Hα-helixtrans-64-44.3171.8-74-170.7165.100112L575 R576 F581 R582 A583L575-E579 PolarHBondContact O-N 3.29Å; R576-E579 PolarHBondContact O-N 3.11Å; E579-F581 VanDerWaalsContact C-N 3.31Å; E579-F581 PolarHBondContact O-N 3.49Å; E579-R582 WeakPolarHBondContact O-CB 3.11Å; E579-R582 PolarHBondContact O-N 3.36Å; E579-A583 PolarHBondContact O-N 2.98Å
580R94.1Very high94.6Very high113 Ų11347.5 Ų47.543%0.42625%0.247SC..Hα-helixtrans-61.3-41.4174.1-176.6175.6177.7175.32.3111.7R576 A577 R582 A583 E584 R606R576-R580 PolarHBondContact O-N 3.28Å; A577-R580 PolarHBondContact O-N 3.01Å; R580-R582 VanDerWaalsContact C-N 3.32Å; R580-R582 PolarHBondContact O-N 3.33Å; R580-A583 PolarHBondContact O-N 3.13Å; R580-E584 WeakPolarHBondContact CG-OE1 3.19Å; R580-E584 IonicContact CZ-OE1 3.66Å; R580-E584 IonicContact NE-OE1 2.85Å; R580-E584 PolarHBondContact NE-OE1 3.14Å; R580-E584 IonicContact NH2-OE1 3.56Å; R580-E584 WeakPolarHBondContact O-CG 2.79Å; R580-E584 PolarHBondContact O-N 3.34Å; R580-E584 VanDerWaalsContact O-N 3.13Å; R580-R606 HydrophobicContact CG-CG 4.46Å
581F96.2Very high94.5Very high0 Ų048.1 Ų48.10%025%0.252CS..Hα-helixtrans-58.4-46174.1-177-76.1000110.7A577 A578 E579 A583 E584 K585 R587 P589 D599 D602 L603A577-F581 WeakPolarHBondContact O-CB 3.25Å; A577-F581 PolarHBondContact O-N 3.4Å; A578-F581 WeakPolarHBondContact O-CB 3.04Å; A578-F581 PolarHBondContact O-N 3.35Å; E579-F581 VanDerWaalsContact C-N 3.31Å; E579-F581 PolarHBondContact O-N 3.49Å; F581-A583 PolarHBondContact O-N 2.97Å; F581-E584 PolarHBondContact O-N 2.87Å; F581-K585 HydrophobicContact CD1-CB 4.18Å; F581-K585 HydrophobicContact CD1-CG 4.18Å; F581-K585 HydrophobicContact CD2-CG 4.44Å; F581-K585 HydrophobicContact CE1-CB 3.91Å; F581-K585 HydrophobicContact CE1-CG 3.94Å; F581-K585 HydrophobicContact CE2-CG 4.23Å; F581-K585 HydrophobicContact CG-CG 4.41Å; F581-K585 HydrophobicContact CZ-CB 4.37Å; F581-K585 HydrophobicContact CZ-CG 3.97Å; F581-K585 VanDerWaalsContact O-CB 3.3Å; F581-K585 WeakPolarHBondContact O-CB 3.43Å; F581-K585 PolarHBondContact O-N 3.26Å; F581-R587 VanDerWaalsContact CD1-O 3.24Å; F581-R587 WeakPolarHBondContact CD1-O 3.35Å; F581-R587 HydrophobicContact CE1-CG 4.4Å; F581-R587 WeakPolarHBondContact CE1-O 3.47Å; F581-P589 HydrophobicContact CD1-CB 4.25Å; F581-P589 HydrophobicContact CD1-CG 4.49Å; F581-P589 HydrophobicContact CE1-CB 4.23Å; F581-P589 HydrophobicContact CG-CB 4.45Å; F581-P589 HydrophobicContact CZ-CB 4.37Å; F581-D599 HydrophobicContact CZ-CB 4.41Å; F581-D602 HydrophobicContact CD2-CB 4.31Å; F581-D602 HydrophobicContact CE2-CB 3.72Å; F581-L603 HydrophobicContact CB-CD1 4.42Å
582R95.3Very high94.2Very high126 Ų12652.3 Ų52.348%0.47528%0.277SS..Hα-helixtrans-60.8-45.1176.5179.6-175.3179.5-170-2.2112.8A578 E579 R580 E584 G586 R587 Y588A578-R582 PolarHBondContact O-N 3.28Å; E579-R582 WeakPolarHBondContact O-CB 3.11Å; E579-R582 PolarHBondContact O-N 3.36Å; R580-R582 VanDerWaalsContact C-N 3.32Å; R580-R582 PolarHBondContact O-N 3.33Å; R582-E584 VanDerWaalsContact C-N 3.26Å; R582-E584 PolarHBondContact O-N 3.45Å; R582-G586 VanDerWaalsContact O-CA 3.26Å; R582-G586 WeakPolarHBondContact O-CA 3.15Å; R582-G586 PolarHBondContact O-N 3.2Å; R582-R587 WeakPolarHBondContact CA-O 3.47Å; R582-Y588 HydrophobicContact CB-CD1 4.12Å; R582-Y588 HydrophobicContact CB-CE1 4.18Å; R582-Y588 HydrophobicContact CB-CG 4.48Å; R582-Y588 VanDerWaalsContact CD-CE2 3.41Å; R582-Y588 PolarHBondContact NH1-OH 3.13Å
583A94.1Very high93.8Very high90 Ų9055.4 Ų55.474%0.74431%0.314SS*.Hα-helixtrans-60.6-37.3179.700000112.1E579 R580 F581E579-A583 PolarHBondContact O-N 2.98Å; R580-A583 PolarHBondContact O-N 3.13Å; F581-A583 PolarHBondContact O-N 2.97Å
584E95Very high93.5Very high95 Ų9558.3 Ų58.344%0.44433%0.328SS..Hα-helixtrans-88.9-31-176.1-66.4172.4-172.800113.6R580 F581 R582 R606R580-E584 WeakPolarHBondContact CG-OE1 3.19Å; R580-E584 IonicContact CZ-OE1 3.66Å; R580-E584 IonicContact NE-OE1 2.85Å; R580-E584 PolarHBondContact NE-OE1 3.14Å; R580-E584 IonicContact NH2-OE1 3.56Å; R580-E584 WeakPolarHBondContact O-CG 2.79Å; R580-E584 PolarHBondContact O-N 3.34Å; R580-E584 VanDerWaalsContact O-N 3.13Å; F581-E584 PolarHBondContact O-N 2.87Å; R582-E584 VanDerWaalsContact C-N 3.26Å; R582-E584 PolarHBondContact O-N 3.45Å; E584-R606 IonicContact OE2-CZ 2.91Å; E584-R606 IonicContact OE2-NE 3.71Å; E584-R606 PolarHBondContact OE2-NE 3.28Å; E584-R606 IonicContact OE2-NH2 2.67Å; E584-R606 PolarHBondContact OE2-NH2 3.2Å
585K92.9Very high93.2Very high99 Ų9962 Ų6243%0.4335%0.352SS..Hα-helixtrans-106.1-9.1-175.9-60.7-74.1-171.2155.50114F581 R587 D602F581-K585 HydrophobicContact CD1-CB 4.18Å; F581-K585 HydrophobicContact CD1-CG 4.18Å; F581-K585 HydrophobicContact CD2-CG 4.44Å; F581-K585 HydrophobicContact CE1-CB 3.91Å; F581-K585 HydrophobicContact CE1-CG 3.94Å; F581-K585 HydrophobicContact CE2-CG 4.23Å; F581-K585 HydrophobicContact CG-CG 4.41Å; F581-K585 HydrophobicContact CZ-CB 4.37Å; F581-K585 HydrophobicContact CZ-CG 3.97Å; F581-K585 VanDerWaalsContact O-CB 3.3Å; F581-K585 WeakPolarHBondContact O-CB 3.43Å; F581-K585 PolarHBondContact O-N 3.26Å; K585-R587 VanDerWaalsContact C-N 3.28Å; K585-R587 HydrophobicContact CB-CG 4.47Å; K585-R587 PolarHBondContact O-N 3.07Å; K585-D602 VanDerWaalsContact CE-OD2 3.26Å; K585-D602 WeakPolarHBondContact CE-OD2 3.45Å; K585-D602 IonicContact NZ-OD2 2.62Å; K585-D602 PolarHBondContact NZ-OD2 2.94Å
586G93.8Very high92.9Very high69 Ų6960.3 Ų60.371%0.71135%0.345SS*.SBendtrans75.37.9-17800000115.2R582R582-G586 VanDerWaalsContact O-CA 3.26Å; R582-G586 WeakPolarHBondContact O-CA 3.15Å; R582-G586 PolarHBondContact O-N 3.2Å
587R94.1Very high92.7Very high29 Ų2964.1 Ų64.111%0.10937%0.367CS..SBendtrans-154.5159.7-178.865.6171.8-175.883.7-1.1111.4F581 R582 K585 T591 N592 I594 D599F581-R587 VanDerWaalsContact CD1-O 3.24Å; F581-R587 WeakPolarHBondContact CD1-O 3.35Å; F581-R587 HydrophobicContact CE1-CG 4.4Å; F581-R587 WeakPolarHBondContact CE1-O 3.47Å; R582-R587 WeakPolarHBondContact CA-O 3.47Å; K585-R587 VanDerWaalsContact C-N 3.28Å; K585-R587 HydrophobicContact CB-CG 4.47Å; K585-R587 PolarHBondContact O-N 3.07Å; R587-T591 PolarHBondContact NH1-O 3.12Å; R587-N592 VanDerWaalsContact CD-CG 3.45Å; R587-N592 WeakPolarHBondContact CD-ND2 3.39Å; R587-I594 VanDerWaalsContact CZ-CD1 3.41Å; R587-D599 IonicContact CZ-OD1 2.73Å; R587-D599 IonicContact CZ-OD2 3.62Å; R587-D599 IonicContact NH1-OD1 3.05Å; R587-D599 IonicContact NH1-OD2 3.62Å; R587-D599 PolarHBondContact NH1-OD2 3.2Å; R587-D599 IonicContact NH2-OD1 2.78Å; R587-D599 PolarHBondContact NH2-OD1 3.06Å; R587-D599 IonicContact NH2-OD2 2.7Å; R587-D599 PolarHBondContact NH2-OD2 3.42Å
588Y95.4Very high92.5Very high68 Ų6869.2 Ų69.227%0.26739%0.394SS..  trans-74.4155.3173.2-77.1-74.5000112R582 T591 A633R582-Y588 HydrophobicContact CB-CD1 4.12Å; R582-Y588 HydrophobicContact CB-CE1 4.18Å; R582-Y588 HydrophobicContact CB-CG 4.48Å; R582-Y588 VanDerWaalsContact CD-CE2 3.41Å; R582-Y588 PolarHBondContact NH1-OH 3.13Å; Y588-T591 PolarHBondContact O-N 3.07Å; Y588-T591 PolarHBondContact O-OG1 2.96Å; Y588-A633 HydrophobicContact CD1-CB 4.07Å; Y588-A633 HydrophobicContact CD2-CB 3.49Å; Y588-A633 VanDerWaalsContact CD2-CB 3.49Å; Y588-A633 HydrophobicContact CE2-CB 3.99Å; Y588-A633 HydrophobicContact CG-CB 3.52Å
589P95.3Very high92.4Very high2 Ų269.1 Ų69.11%0.01339%0.393CS..THydrogen-bonded Turntrans-61.7141.4172.227.2-34000110.2A578 F581 T591 D599 L603 G632A578-P589 HydrophobicContact CB-CG 4.05Å; F581-P589 HydrophobicContact CD1-CB 4.25Å; F581-P589 HydrophobicContact CD1-CG 4.49Å; F581-P589 HydrophobicContact CE1-CB 4.23Å; F581-P589 HydrophobicContact CG-CB 4.45Å; F581-P589 HydrophobicContact CZ-CB 4.37Å; P589-T591 VanDerWaalsContact C-N 3.32Å; P589-T591 PolarHBondContact O-N 2.88Å; P589-D599 WeakPolarHBondContact CA-OD2 3.41Å; P589-D599 HydrophobicContact CB-CB 4.23Å; P589-L603 HydrophobicContact CB-CD2 4.37Å; P589-L603 HydrophobicContact CG-CD1 4.49Å; P589-L603 HydrophobicContact CG-CD2 4.2Å; P589-G632 WeakPolarHBondContact O-CA 3.23Å
590G93.1Very high92.4Very high24 Ų2466.4 Ų66.425%0.24738%0.38CS..THydrogen-bonded Turntrans80.71.4-178.200000116.2D599 C629G590-D599 PolarHBondContact N-OD2 2.89Å; G590-C629 VanDerWaalsContact CA-O 3.24Å; G590-C629 WeakPolarHBondContact CA-O 3.43Å
591T92.5Very high92.3Very high32 Ų3266.1 Ų66.120%0.19639%0.387CS..  trans-101.8175178.4780000112.3R587 Y588 P589 G593 I594 G632R587-T591 PolarHBondContact NH1-O 3.12Å; Y588-T591 PolarHBondContact O-N 3.07Å; Y588-T591 PolarHBondContact O-OG1 2.96Å; P589-T591 VanDerWaalsContact C-N 3.32Å; P589-T591 PolarHBondContact O-N 2.88Å; T591-G593 PolarHBondContact O-N 3.05Å; T591-I594 PolarHBondContact O-N 2.88Å; T591-G632 VanDerWaalsContact CG2-O 3.23Å; T591-G632 WeakPolarHBondContact CG2-O 3.46Å
592N89.4Confident92.1Very high124 Ų12468.8 Ų68.866%0.66340%0.401SS*.THydrogen-bonded Turntrans64.121.5176.2-55.622.5000114.6R587 I594R587-N592 VanDerWaalsContact CD-CG 3.45Å; R587-N592 WeakPolarHBondContact CD-ND2 3.39Å; N592-I594 PolarHBondContact O-N 3.34Å
593G85.7Confident92.1Very high79 Ų7962.8 Ų62.881%0.81438%0.378SS*.THydrogen-bonded Turntrans73.112.3177.500000114.6T591T591-G593 PolarHBondContact O-N 3.05Å
594I88.2Confident92.2Very high61 Ų6159.5 Ų59.531%0.31335%0.351SS..  trans-78.3133.7176.9-73170000109.5R587 T591 N592 V596 L598R587-I594 VanDerWaalsContact CZ-CD1 3.41Å; T591-I594 PolarHBondContact O-N 2.88Å; N592-I594 PolarHBondContact O-N 3.34Å; I594-V596 PolarHBondContact O-N 2.86Å; I594-L598 HydrophobicContact CG2-CB 4.32Å; I594-L598 HydrophobicContact CG2-CD1 4.46Å
595P88.4Confident92.1Very high78 Ų7859.6 Ų59.651%0.50636%0.358SS..  trans-54.5131.1177.1-27.634000112.5D597 L598P595-D597 PolarHBondContact O-N 3.39Å; P595-D597 VanDerWaalsContact O-N 3.14Å; P595-L598 HydrophobicContact CB-CD1 4.46Å; P595-L598 HydrophobicContact CB-CG 4.46Å; P595-L598 HydrophobicContact CG-CD1 4.33Å; P595-L598 PolarHBondContact O-N 3.23Å
596V89.6Confident92.2Very high47 Ų4756.5 Ų56.529%0.28534%0.344SS..Hα-helixtrans-52.9-36.3-179165.90000112.4I594 L598 D599 K600 Q626 C629I594-V596 PolarHBondContact O-N 2.86Å; V596-L598 VanDerWaalsContact C-N 3.3Å; V596-L598 PolarHBondContact O-N 3.29Å; V596-D599 PolarHBondContact O-N 3.49Å; V596-K600 WeakPolarHBondContact O-CB 3.48Å; V596-K600 PolarHBondContact O-N 3.12Å; V596-Q626 HydrophobicContact CG1-CG 4.3Å; V596-C629 HydrophobicContact CG1-CB 3.72Å
597D89.6Confident92.2Very high103 Ų10353.3 Ų53.355%0.55131%0.31SS*.Hα-helixtrans-65.2-30.1-179.1-63.8-49.4000113.7P595 N601P595-D597 PolarHBondContact O-N 3.39Å; P595-D597 VanDerWaalsContact O-N 3.14Å; D597-N601 PolarHBondContact O-ND2 2.94Å
598L89.8Confident92.2Very high108 Ų10857.4 Ų57.457%0.56533%0.331SS*.Hα-helixtrans-72.3-46.9175.6-66.5177.3000110.5I594 P595 V596 K600 N601 D602I594-L598 HydrophobicContact CG2-CB 4.32Å; I594-L598 HydrophobicContact CG2-CD1 4.46Å; P595-L598 HydrophobicContact CB-CD1 4.46Å; P595-L598 HydrophobicContact CB-CG 4.46Å; P595-L598 HydrophobicContact CG-CD1 4.33Å; P595-L598 PolarHBondContact O-N 3.23Å; V596-L598 VanDerWaalsContact C-N 3.3Å; V596-L598 PolarHBondContact O-N 3.29Å; L598-K600 VanDerWaalsContact C-N 3.28Å; L598-K600 PolarHBondContact O-N 2.51Å; L598-N601 PolarHBondContact O-N 3.17Å; L598-D602 PolarHBondContact O-N 2.98Å
599D93.6Very high92Very high3 Ų355.9 Ų55.92%0.01634%0.335CS..Hα-helixtrans-66.9-31.1178.9-77.1-5.4000112.2F581 R587 P589 G590 V596 N601 D602 L603F581-D599 HydrophobicContact CZ-CB 4.41Å; R587-D599 IonicContact CZ-OD1 2.73Å; R587-D599 IonicContact CZ-OD2 3.62Å; R587-D599 IonicContact NH1-OD1 3.05Å; R587-D599 IonicContact NH1-OD2 3.62Å; R587-D599 PolarHBondContact NH1-OD2 3.2Å; R587-D599 IonicContact NH2-OD1 2.78Å; R587-D599 PolarHBondContact NH2-OD1 3.06Å; R587-D599 IonicContact NH2-OD2 2.7Å; R587-D599 PolarHBondContact NH2-OD2 3.42Å; P589-D599 WeakPolarHBondContact CA-OD2 3.41Å; P589-D599 HydrophobicContact CB-CB 4.23Å; G590-D599 PolarHBondContact N-OD2 2.89Å; V596-D599 PolarHBondContact O-N 3.49Å; D599-N601 VanDerWaalsContact C-N 3.33Å; D599-N601 PolarHBondContact O-N 2.69Å; D599-D602 PolarHBondContact O-N 3.48Å; D599-L603 VanDerWaalsContact O-CB 3.22Å; D599-L603 WeakPolarHBondContact O-CB 3.33Å; D599-L603 PolarHBondContact O-N 3.04Å
600K93.7Very high91.8Very high45 Ų4556.4 Ų56.420%0.19634%0.338CS..Hα-helixtrans-56.3-46.3176-179.2-179.1179.8173.20111.7V596 L598 A604 P622 I625 Q626V596-K600 WeakPolarHBondContact O-CB 3.48Å; V596-K600 PolarHBondContact O-N 3.12Å; L598-K600 VanDerWaalsContact C-N 3.28Å; L598-K600 PolarHBondContact O-N 2.51Å; K600-A604 WeakPolarHBondContact O-CB 3.43Å; K600-A604 PolarHBondContact O-N 2.89Å; K600-P622 WeakPolarHBondContact CE-O 3.17Å; K600-I625 HydrophobicContact CG-CG2 3.94Å; K600-I625 WeakPolarHBondContact O-CG2 3.46Å; K600-Q626 HydrophobicContact CD-CB 4.03Å; K600-Q626 HydrophobicContact CD-CG 4.47Å
601N92.4Very high91.8Very high107 Ų10755.7 Ų55.757%0.57233%0.328SS*.Hα-helixtrans-68.2-43.7179-66.5-37.2000111.4D597 L598 D599 L603 A604 V605D597-N601 PolarHBondContact O-ND2 2.94Å; L598-N601 PolarHBondContact O-N 3.17Å; D599-N601 VanDerWaalsContact C-N 3.33Å; D599-N601 PolarHBondContact O-N 2.69Å; N601-L603 PolarHBondContact O-N 3.11Å; N601-A604 PolarHBondContact O-N 3.4Å; N601-V605 WeakPolarHBondContact O-CG2 3.5Å; N601-V605 PolarHBondContact O-N 3.48Å
602D92.3Very high91.7Very high55 Ų5561.8 Ų61.829%0.29435%0.354SS..Hα-helixtrans-65.8-37178.7-88.413.6000112.7F581 K585 L598 D599 R606F581-D602 HydrophobicContact CD2-CB 4.31Å; F581-D602 HydrophobicContact CE2-CB 3.72Å; K585-D602 VanDerWaalsContact CE-OD2 3.26Å; K585-D602 WeakPolarHBondContact CE-OD2 3.45Å; K585-D602 IonicContact NZ-OD2 2.62Å; K585-D602 PolarHBondContact NZ-OD2 2.94Å; L598-D602 PolarHBondContact O-N 2.98Å; D599-D602 PolarHBondContact O-N 3.48Å; D602-R606 PolarHBondContact O-NH1 2.84Å
603L95.5Very high91.6Very high0 Ų057.8 Ų57.80%034%0.336CS..Hα-helixtrans-70.9-40.6176.9-176.262.5000111.2A577 F581 P589 D599 N601 V605 R606 F607 I625 M628A577-L603 HydrophobicContact CB-CD1 3.72Å; F581-L603 HydrophobicContact CB-CD1 4.42Å; P589-L603 HydrophobicContact CB-CD2 4.37Å; P589-L603 HydrophobicContact CG-CD1 4.49Å; P589-L603 HydrophobicContact CG-CD2 4.2Å; D599-L603 VanDerWaalsContact O-CB 3.22Å; D599-L603 WeakPolarHBondContact O-CB 3.33Å; D599-L603 PolarHBondContact O-N 3.04Å; N601-L603 PolarHBondContact O-N 3.11Å; L603-V605 VanDerWaalsContact C-N 3.33Å; L603-V605 PolarHBondContact O-N 3.27Å; L603-R606 PolarHBondContact O-N 3.26Å; L603-R606 VanDerWaalsContact O-N 3.11Å; L603-F607 PolarHBondContact O-N 2.84Å; L603-I625 HydrophobicContact CB-CG2 4.2Å; L603-I625 HydrophobicContact CD2-CG2 4.05Å; L603-I625 HydrophobicContact CG-CG2 4.22Å; L603-M628 HydrophobicContact CD2-CB 4.05Å; L603-M628 HydrophobicContact CD2-CG 3.83Å
604A94.9Very high91.7Very high22 Ų2254.4 Ų54.418%0.18230%0.299CS..Hα-helixtrans-56.1-45.1176.800000112.1K600 N601 R606 F607 E608 I625K600-A604 WeakPolarHBondContact O-CB 3.43Å; K600-A604 PolarHBondContact O-N 2.89Å; N601-A604 PolarHBondContact O-N 3.4Å; A604-R606 VanDerWaalsContact C-N 3.29Å; A604-R606 PolarHBondContact O-N 3.06Å; A604-F607 PolarHBondContact O-N 3.32Å; A604-E608 WeakPolarHBondContact O-CB 3.23Å; A604-E608 WeakPolarHBondContact O-CG 3.35Å; A604-E608 PolarHBondContact O-N 3.29Å; A604-I625 HydrophobicContact CB-CD1 3.96Å
605V93.6Very high91.6Very high97 Ų9751.9 Ų51.959%0.58829%0.287SS*.Hα-helixtrans-59.2-38.9177.1174.20000112N601 L603 G609N601-V605 WeakPolarHBondContact O-CG2 3.5Å; N601-V605 PolarHBondContact O-N 3.48Å; L603-V605 VanDerWaalsContact C-N 3.33Å; L603-V605 PolarHBondContact O-N 3.27Å; V605-G609 PolarHBondContact O-N 3.32Å
606R94.4Very high91.3Very high33 Ų3354 Ų5413%0.12530%0.299CS..Hα-helixtrans-73.5-41.5178.5-76.9163.9-176.566.85.6112.1A577 R580 E584 D602 L603 A604 G609 I610A577-R606 HydrophobicContact CB-CB 4.31Å; R580-R606 HydrophobicContact CG-CG 4.46Å; E584-R606 IonicContact OE2-CZ 2.91Å; E584-R606 IonicContact OE2-NE 3.71Å; E584-R606 PolarHBondContact OE2-NE 3.28Å; E584-R606 IonicContact OE2-NH2 2.67Å; E584-R606 PolarHBondContact OE2-NH2 3.2Å; D602-R606 PolarHBondContact O-NH1 2.84Å; L603-R606 PolarHBondContact O-N 3.26Å; L603-R606 VanDerWaalsContact O-N 3.11Å; A604-R606 VanDerWaalsContact C-N 3.29Å; A604-R606 PolarHBondContact O-N 3.06Å; R606-G609 PolarHBondContact O-N 3.3Å; R606-I610 WeakPolarHBondContact O-CG1 3.32Å; R606-I610 PolarHBondContact O-N 3.46Å
607F95.1Very high91.1Very high3 Ų353.4 Ų53.41%0.01329%0.294CS..Hα-helixtrans-59.2-49.6174.8174.7-99.2000110.8I570 L573 L574 A577 L603 A604 G609 I610 L611 I625I570-F607 HydrophobicContact CG2-CE2 4.12Å; I570-F607 HydrophobicContact CG2-CZ 3.96Å; L573-F607 HydrophobicContact CB-CD2 4.17Å; L573-F607 HydrophobicContact CB-CE2 3.65Å; L574-F607 HydrophobicContact CD2-CB 4.21Å; L574-F607 HydrophobicContact CD2-CD2 3.46Å; L574-F607 VanDerWaalsContact CD2-CD2 3.46Å; L574-F607 HydrophobicContact CD2-CE2 3.95Å; L574-F607 HydrophobicContact CD2-CG 3.88Å; L574-F607 HydrophobicContact CG-CD2 3.84Å; L574-F607 HydrophobicContact CG-CE2 3.89Å; A577-F607 HydrophobicContact CB-CB 4.02Å; L603-F607 PolarHBondContact O-N 2.84Å; A604-F607 PolarHBondContact O-N 3.32Å; F607-G609 VanDerWaalsContact C-N 3.32Å; F607-G609 PolarHBondContact O-N 2.99Å; F607-I610 PolarHBondContact O-N 3.23Å; F607-L611 HydrophobicContact CE1-CD2 4.19Å; F607-L611 WeakPolarHBondContact O-CB 3.39Å; F607-L611 PolarHBondContact O-N 2.9Å; F607-I625 HydrophobicContact CD1-CD1 4.49Å
608E93.4Very high90.8Very high115 Ų11559.9 Ų59.954%0.53731%0.31SS..Hα-helixtrans-60.2-40.7175.7-73.5-179.6177.600112.1A604 L611 H612A604-E608 WeakPolarHBondContact O-CB 3.23Å; A604-E608 WeakPolarHBondContact O-CG 3.35Å; A604-E608 PolarHBondContact O-N 3.29Å; E608-L611 PolarHBondContact O-N 3.14Å; E608-H612 VanDerWaalsContact O-CB 3.29Å; E608-H612 WeakPolarHBondContact O-CB 3.5Å; E608-H612 PolarHBondContact O-N 3.34Å
609G91.8Very high90.6Very high35 Ų3556 Ų5636%0.36129%0.291SS..Hα-helixtrans-63.2-40.1176.300000113.6V605 R606 F607 S613V605-G609 PolarHBondContact O-N 3.32Å; R606-G609 PolarHBondContact O-N 3.3Å; F607-G609 VanDerWaalsContact C-N 3.32Å; F607-G609 PolarHBondContact O-N 2.99Å; G609-S613 PolarHBondContact O-N 2.87Å
610I91.6Very high90.3Very high13 Ų1361.7 Ų61.77%0.06733%0.326CS..Hα-helixtrans-69.8-46.4175.2-68.7169.7000109.9L573 R576 A577 R606 F607 H612 S613 L614L573-I610 HydrophobicContact CD2-CG2 4.11Å; R576-I610 HydrophobicContact CB-CD1 4Å; A577-I610 HydrophobicContact CB-CD1 4.04Å; R606-I610 WeakPolarHBondContact O-CG1 3.32Å; R606-I610 PolarHBondContact O-N 3.46Å; F607-I610 PolarHBondContact O-N 3.23Å; I610-H612 VanDerWaalsContact C-N 3.35Å; I610-H612 PolarHBondContact O-N 3.48Å; I610-S613 WeakPolarHBondContact O-CB 3.47Å; I610-S613 PolarHBondContact O-N 2.82Å; I610-S613 PolarHBondContact O-OG 2.76Å; I610-L614 HydrophobicContact CG2-CD1 3.85Å; I610-L614 PolarHBondContact O-N 3.49Å
611L91.9Very high90.2Very high9 Ų960.1 Ų60.15%0.04732%0.321CS..Hα-helixtrans-57.5-48.1178.9-178.164.4000110.9L562 L573 F607 E608 S613 L614 S615 I617 V619L562-L611 HydrophobicContact CD1-CD1 3.51Å; L573-L611 HydrophobicContact CD1-CD1 3.98Å; F607-L611 HydrophobicContact CE1-CD2 4.19Å; F607-L611 WeakPolarHBondContact O-CB 3.39Å; F607-L611 PolarHBondContact O-N 2.9Å; E608-L611 PolarHBondContact O-N 3.14Å; L611-S613 PolarHBondContact O-N 3.26Å; L611-L614 PolarHBondContact O-N 2.85Å; L611-L614 VanDerWaalsContact O-N 3.09Å; L611-S615 PolarHBondContact O-N 2.99Å; L611-S615 VanDerWaalsContact O-O 3.08Å; L611-I617 WeakPolarHBondContact CD2-O 3.38Å; L611-V619 HydrophobicContact CD2-CB 4.04Å; L611-V619 HydrophobicContact CD2-CG2 4.46Å
612H90Very high90.1Very high160 Ų16058.4 Ų58.474%0.74132%0.315SS*.Hα-helixtrans-62.8-26.2177.4-171.458.5000113.4E608 I610E608-H612 VanDerWaalsContact O-CB 3.29Å; E608-H612 WeakPolarHBondContact O-CB 3.5Å; E608-H612 PolarHBondContact O-N 3.34Å; I610-H612 VanDerWaalsContact C-N 3.35Å; I610-H612 PolarHBondContact O-N 3.48Å
613S88.4Confident90.2Very high41 Ų4162.6 Ų62.629%0.28733%0.333SS..Hα-helixtrans-77.1-23.617774.90000113.6G609 I610 L611G609-S613 PolarHBondContact O-N 2.87Å; I610-S613 WeakPolarHBondContact O-CB 3.47Å; I610-S613 PolarHBondContact O-N 2.82Å; I610-S613 PolarHBondContact O-OG 2.76Å; L611-S613 PolarHBondContact O-N 3.26Å
614L87.9Confident90.1Very high8 Ų863.3 Ų63.34%0.04234%0.337CS..Hα-helixtrans-115-20.7-172.1-64.2171.7000113.7A553 A555 I558 L573 I610 L611A553-L614 HydrophobicContact CB-CD2 3.7Å; A555-L614 VanDerWaalsContact CB-O 3.26Å; A555-L614 WeakPolarHBondContact CB-O 3.29Å; I558-L614 HydrophobicContact CD1-CB 4.41Å; I558-L614 HydrophobicContact CD1-CD1 4.1Å; L573-L614 HydrophobicContact CD2-CD1 3.89Å; I610-L614 HydrophobicContact CG2-CD1 3.85Å; I610-L614 PolarHBondContact O-N 3.49Å; L611-L614 PolarHBondContact O-N 2.85Å; L611-L614 VanDerWaalsContact O-N 3.09Å
615S85.3Confident90.1Very high8 Ų862.8 Ų62.86%0.05633%0.331CS..  trans-148.3148-170.4178.30000111.9E559 L611 I617E559-S615 VanDerWaalsContact CG-OG 3.28Å; E559-S615 WeakPolarHBondContact CG-OG 3.37Å; E559-S615 WeakPolarHBondContact OE1-CA 3.43Å; L611-S615 PolarHBondContact O-N 2.99Å; L611-S615 VanDerWaalsContact O-O 3.08Å; S615-I617 WeakPolarHBondContact OG-CB 3.48Å; S615-I617 PolarHBondContact OG-N 3.39Å
616T82.7Confident90.2Very high122 Ų12262.1 Ų62.175%0.74832%0.321SS*.SBendtrans-85.2-12.9169.558.20000113.3E559E559-T616 PolarHBondContact OE1-N 3.47Å; E559-T616 PolarHBondContact OE1-OG1 2.78Å
617I84.8Confident90.1Very high35 Ų3564 Ų6418%0.17933%0.331CS..  trans-76.6130.7-177.4-57.3171000109.4E559 L562 K563 L611 S615 V619E559-I617 HydrophobicContact CB-CD1 4.06Å; E559-I617 HydrophobicContact CG-CD1 4.2Å; E559-I617 HydrophobicContact CG-CG1 4.46Å; E559-I617 WeakPolarHBondContact O-CD1 3.27Å; L562-I617 HydrophobicContact CB-CD1 4.09Å; K563-I617 HydrophobicContact CD-CD1 4.27Å; K563-I617 HydrophobicContact CG-CD1 3.59Å; L611-I617 WeakPolarHBondContact CD2-O 3.38Å; S615-I617 WeakPolarHBondContact OG-CB 3.48Å; S615-I617 PolarHBondContact OG-N 3.39Å; I617-V619 HydrophobicContact CG2-CG2 3.78Å
618R83.9Confident90Very high239 Ų23964.5 Ų64.590%0.90233%0.334SS*.  trans-89.1112170.2-65.7-170.9-179.8-167.5-0.2109.3
619V86.5Confident90.1Very high26 Ų2659 Ų5916%0.15831%0.309CS..  trans-109.6127.6173.8-179.40000108.3L562 I570 L611 I617L562-V619 HydrophobicContact CB-CG2 4.35Å; L562-V619 HydrophobicContact CD2-CG2 4.2Å; I570-V619 HydrophobicContact CD1-CG1 3.74Å; I570-V619 HydrophobicContact CG1-CG1 4.2Å; L611-V619 HydrophobicContact CD2-CB 4.04Å; L611-V619 HydrophobicContact CD2-CG2 4.46Å; I617-V619 HydrophobicContact CG2-CG2 3.78Å
620T86Confident90.1Very high123 Ų12365.1 Ų65.176%0.75532%0.321SS*.  trans-115.1120.5173.856.70000109
621C91.6Very high90Very high12 Ų1268.2 Ų68.28%0.08133%0.334CS..  trans-139.860.4-174.658.30000111.5I570 E623 L624 I625I570-C621 HydrophobicContact CG2-CB 4.25Å; I570-C621 VanDerWaalsContact CG2-SG 3.57Å; C621-E623 PolarHBondContact O-N 2.84Å; C621-L624 HydrophobicContact CB-CB 4.16Å; C621-L624 HydrophobicContact CB-CD1 3.97Å; C621-L624 HydrophobicContact CB-CG 4.06Å; C621-L624 PolarHBondContact O-N 3.2Å; C621-L624 VanDerWaalsContact O-N 3.12Å; C621-I625 WeakPolarHBondContact O-CG1 3.26Å; C621-I625 PolarHBondContact O-N 3.39Å
622P91.6Very high90Very high70 Ų7068.7 Ų68.746%0.45534%0.341SS..Hα-helixtrans-60.8-30.7-174.625.6-34.8000113.2K600 Q626K600-P622 WeakPolarHBondContact CE-O 3.17Å; P622-Q626 WeakPolarHBondContact O-CB 3.19Å; P622-Q626 PolarHBondContact O-N 2.67Å
623E92.8Very high90Very high143 Ų14363 Ų6367%0.66832%0.322SS*.Hα-helixtrans-65.7-45.5176-61.9177.5-179.200111.6C621 Q626 E627C621-E623 PolarHBondContact O-N 2.84Å; E623-Q626 PolarHBondContact O-N 3.22Å; E623-E627 WeakPolarHBondContact O-CB 3.43Å; E623-E627 PolarHBondContact O-N 2.84Å
624L93.5Very high90.1Very high15 Ų1563.3 Ų63.38%0.07933%0.327CS..Hα-helixtrans-71.2-35.5-179.3-52.1-174.9000111.7R567 I570 W571 L574 C621 E627 M628R567-L624 HydrophobicContact CB-CD1 4.37Å; R567-L624 HydrophobicContact CG-CD1 4.44Å; I570-L624 HydrophobicContact CB-CD1 4.25Å; I570-L624 HydrophobicContact CD1-CD1 4.33Å; I570-L624 HydrophobicContact CG2-CD1 3.8Å; W571-L624 HydrophobicContact CH2-CB 3.81Å; W571-L624 HydrophobicContact CH2-CD2 3.66Å; W571-L624 HydrophobicContact CH2-CG 4.22Å; W571-L624 HydrophobicContact CZ2-CB 4.42Å; W571-L624 HydrophobicContact CZ2-CD2 3.57Å; W571-L624 HydrophobicContact CZ2-CG 4.38Å; W571-L624 HydrophobicContact CZ3-CB 3.85Å; L574-L624 HydrophobicContact CD1-CB 3.72Å; C621-L624 HydrophobicContact CB-CB 4.16Å; C621-L624 HydrophobicContact CB-CD1 3.97Å; C621-L624 HydrophobicContact CB-CG 4.06Å; C621-L624 PolarHBondContact O-N 3.2Å; C621-L624 VanDerWaalsContact O-N 3.12Å; L624-E627 PolarHBondContact O-N 2.75Å; L624-M628 WeakPolarHBondContact O-CB 3.32Å; L624-M628 PolarHBondContact O-N 3.23Å
625I95.5Very high90.1Very high11 Ų1171.5 Ų71.56%0.05637%0.365CS..Hα-helixtrans-63.2-46.1173.5-65.4165.3000109.9L574 K600 L603 A604 F607 C621 E627 M628 C629L574-I625 HydrophobicContact CD2-CG1 3.63Å; K600-I625 HydrophobicContact CG-CG2 3.94Å; K600-I625 WeakPolarHBondContact O-CG2 3.46Å; L603-I625 HydrophobicContact CB-CG2 4.2Å; L603-I625 HydrophobicContact CD2-CG2 4.05Å; L603-I625 HydrophobicContact CG-CG2 4.22Å; A604-I625 HydrophobicContact CB-CD1 3.96Å; F607-I625 HydrophobicContact CD1-CD1 4.49Å; C621-I625 WeakPolarHBondContact O-CG1 3.26Å; C621-I625 PolarHBondContact O-N 3.39Å; I625-E627 VanDerWaalsContact C-N 3.3Å; I625-E627 PolarHBondContact O-N 3.42Å; I625-M628 PolarHBondContact O-N 2.89Å; I625-C629 PolarHBondContact O-N 2.95Å; I625-C629 PolarHBondContact O-SG 2.84Å; I625-C629 VanDerWaalsContact O-SG 3.4Å
626Q94.6Very high90.4Very high84 Ų8476 Ų7639%0.39339%0.387SS..Hα-helixtrans-61.8-40.5176.5-178.9168.9-11.600111.6V596 K600 P622 E623 C629 R630V596-Q626 HydrophobicContact CG1-CG 4.3Å; K600-Q626 HydrophobicContact CD-CB 4.03Å; K600-Q626 HydrophobicContact CD-CG 4.47Å; P622-Q626 WeakPolarHBondContact O-CB 3.19Å; P622-Q626 PolarHBondContact O-N 2.67Å; E623-Q626 PolarHBondContact O-N 3.22Å; Q626-C629 PolarHBondContact O-N 3.38Å; Q626-R630 WeakPolarHBondContact O-CB 3.49Å; Q626-R630 PolarHBondContact O-N 3.34Å
627E92.4Very high90.9Very high72 Ų7277.9 Ų77.934%0.33639%0.387SS..Hα-helixtrans-65.2-39.9176.4-176.758.1-162.100112.3W571 E623 L624 I625 C629 R630 F631W571-E627 HydrophobicContact CH2-CB 4.06Å; W571-E627 HydrophobicContact CH2-CG 3.9Å; E623-E627 WeakPolarHBondContact O-CB 3.43Å; E623-E627 PolarHBondContact O-N 2.84Å; L624-E627 PolarHBondContact O-N 2.75Å; I625-E627 VanDerWaalsContact C-N 3.3Å; I625-E627 PolarHBondContact O-N 3.42Å; E627-C629 VanDerWaalsContact C-N 3.32Å; E627-C629 PolarHBondContact O-N 3.02Å; E627-R630 VanDerWaalsContact CD-NE 3.34Å; E627-R630 WeakPolarHBondContact O-CB 3.24Å; E627-R630 PolarHBondContact O-N 3.4Å; E627-R630 VanDerWaalsContact O-N 3.14Å; E627-R630 IonicContact OE1-CZ 2.71Å; E627-R630 VanDerWaalsContact OE1-CZ 3.31Å; E627-R630 IonicContact OE1-NE 2.72Å; E627-R630 PolarHBondContact OE1-NE 3.38Å; E627-R630 IonicContact OE1-NH2 3.09Å; E627-R630 PolarHBondContact OE1-NH2 3.13Å; E627-R630 IonicContact OE2-CZ 3.24Å; E627-R630 IonicContact OE2-NE 3.48Å; E627-R630 PolarHBondContact OE2-NE 3.18Å; E627-R630 IonicContact OE2-NH2 3.7Å; E627-F631 WeakPolarHBondContact O-CB 3.47Å; E627-F631 PolarHBondContact O-N 3.11Å
628M93.8Very high91.2Very high13 Ų1380.2 Ų80.26%0.06441%0.406CS..Hα-helixtrans-62.4-38.5174.1-176.159.572.300112.1W571 L574 L575 A578 L603 L624 I625 F631 G632W571-M628 HydrophobicContact CE3-CE 4.09Å; W571-M628 HydrophobicContact CZ3-CE 4.39Å; L574-M628 HydrophobicContact CB-CE 3.71Å; L574-M628 HydrophobicContact CB-CG 4.47Å; L575-M628 HydrophobicContact CD2-CE 3.81Å; L575-M628 HydrophobicContact CD2-SD 4.27Å; L575-M628 HydrophobicContact CG-CE 3.95Å; A578-M628 HydrophobicContact CB-CG 4.44Å; A578-M628 HydrophobicContact CB-SD 4.47Å; L603-M628 HydrophobicContact CD2-CB 4.05Å; L603-M628 HydrophobicContact CD2-CG 3.83Å; L624-M628 WeakPolarHBondContact O-CB 3.32Å; L624-M628 PolarHBondContact O-N 3.23Å; I625-M628 PolarHBondContact O-N 2.89Å; M628-F631 WeakPolarHBondContact O-CB 3.47Å; M628-F631 HydrophobicContact SD-CD1 3.92Å; M628-F631 HydrophobicContact SD-CE1 4.48Å; M628-G632 PolarHBondContact O-N 3.41Å
629C94.9Very high91.6Very high1 Ų170.9 Ų70.91%0.00738%0.376CS..Hα-helixtrans-68.8-40.6171.7-64.50000111.6G590 V596 I625 Q626 E627 F631 G632G590-C629 VanDerWaalsContact CA-O 3.24Å; G590-C629 WeakPolarHBondContact CA-O 3.43Å; V596-C629 HydrophobicContact CG1-CB 3.72Å; I625-C629 PolarHBondContact O-N 2.95Å; I625-C629 PolarHBondContact O-SG 2.84Å; I625-C629 VanDerWaalsContact O-SG 3.4Å; Q626-C629 PolarHBondContact O-N 3.38Å; E627-C629 VanDerWaalsContact C-N 3.32Å; E627-C629 PolarHBondContact O-N 3.02Å; C629-F631 VanDerWaalsContact C-N 3.27Å; C629-F631 PolarHBondContact O-N 3.15Å; C629-G632 PolarHBondContact O-N 3.15Å
630R92.2Very high91.9Very high162 Ų16271.9 Ų71.961%0.61139%0.386SS*.Hα-helixtrans-61.9-37.7176.2-168.9-168.873.580.3-1.5111.8Q626 E627 G632Q626-R630 WeakPolarHBondContact O-CB 3.49Å; Q626-R630 PolarHBondContact O-N 3.34Å; E627-R630 VanDerWaalsContact CD-NE 3.34Å; E627-R630 WeakPolarHBondContact O-CB 3.24Å; E627-R630 PolarHBondContact O-N 3.4Å; E627-R630 VanDerWaalsContact O-N 3.14Å; E627-R630 IonicContact OE1-CZ 2.71Å; E627-R630 VanDerWaalsContact OE1-CZ 3.31Å; E627-R630 IonicContact OE1-NE 2.72Å; E627-R630 PolarHBondContact OE1-NE 3.38Å; E627-R630 IonicContact OE1-NH2 3.09Å; E627-R630 PolarHBondContact OE1-NH2 3.13Å; E627-R630 IonicContact OE2-CZ 3.24Å; E627-R630 IonicContact OE2-NE 3.48Å; E627-R630 PolarHBondContact OE2-NE 3.18Å; E627-R630 IonicContact OE2-NH2 3.7Å; R630-G632 VanDerWaalsContact C-N 3.31Å; R630-G632 PolarHBondContact O-N 2.99Å
631F90.2Very high92.4Very high78 Ų7868.8 Ų68.834%0.34237%0.374SS..Hα-helixtrans-59.7-38.3177.9163.4-108.4000112.6E627 M628 C629 A633 A634E627-F631 WeakPolarHBondContact O-CB 3.47Å; E627-F631 PolarHBondContact O-N 3.11Å; M628-F631 WeakPolarHBondContact O-CB 3.47Å; M628-F631 HydrophobicContact SD-CD1 3.92Å; M628-F631 HydrophobicContact SD-CE1 4.48Å; C629-F631 VanDerWaalsContact C-N 3.27Å; C629-F631 PolarHBondContact O-N 3.15Å; F631-A633 HydrophobicContact CE1-CB 4.5Å; F631-A633 PolarHBondContact O-N 3.44Å; F631-A633 VanDerWaalsContact O-N 3.14Å; F631-A634 HydrophobicContact CD2-CB 4.47Å; F631-A634 HydrophobicContact CE2-CB 4.45Å; F631-A634 WeakPolarHBondContact CE2-O 3.22Å; F631-A634 WeakPolarHBondContact CZ-O 3.47Å; F631-A634 VanDerWaalsContact O-CB 3.25Å; F631-A634 WeakPolarHBondContact O-CB 3.43Å; F631-A634 PolarHBondContact O-N 3.04Å
632G90.6Very high92.5Very high20 Ų2071.6 Ų71.621%0.20639%0.387CS..THydrogen-bonded Turntrans60.827.3168.900000115.3P589 T591 M628 C629 R630 A634P589-G632 WeakPolarHBondContact O-CA 3.23Å; T591-G632 VanDerWaalsContact CG2-O 3.23Å; T591-G632 WeakPolarHBondContact CG2-O 3.46Å; M628-G632 PolarHBondContact O-N 3.41Å; C629-G632 PolarHBondContact O-N 3.15Å; R630-G632 VanDerWaalsContact C-N 3.31Å; R630-G632 PolarHBondContact O-N 2.99Å; G632-A634 VanDerWaalsContact C-N 3.26Å; G632-A634 PolarHBondContact O-N 3.36Å
633A90.4Very high92.6Very high41 Ų4171.3 Ų71.334%0.33938%0.384SS..THydrogen-bonded Turntrans58.730.7-172.500000114.6Y588 F631Y588-A633 HydrophobicContact CD1-CB 4.07Å; Y588-A633 HydrophobicContact CD2-CB 3.49Å; Y588-A633 VanDerWaalsContact CD2-CB 3.49Å; Y588-A633 HydrophobicContact CE2-CB 3.99Å; Y588-A633 HydrophobicContact CG-CB 3.52Å; F631-A633 HydrophobicContact CE1-CB 4.5Å; F631-A633 PolarHBondContact O-N 3.44Å; F631-A633 VanDerWaalsContact O-N 3.14Å
634A89.9Confident92.8Very high46 Ų4666.4 Ų66.438%0.3837%0.372SS..  trans-72.1150.4174.900000112.3F631 G632F631-A634 HydrophobicContact CD2-CB 4.47Å; F631-A634 HydrophobicContact CE2-CB 4.45Å; F631-A634 WeakPolarHBondContact CE2-O 3.22Å; F631-A634 WeakPolarHBondContact CZ-O 3.47Å; F631-A634 VanDerWaalsContact O-CB 3.25Å; F631-A634 WeakPolarHBondContact O-CB 3.43Å; F631-A634 PolarHBondContact O-N 3.04Å; G632-A634 VanDerWaalsContact C-N 3.26Å; G632-A634 PolarHBondContact O-N 3.36Å
635E89.8Confident92.9Very high181 Ų18167.7 Ų67.785%0.84639%0.389SS*.  trans-107.291.8171-68.8-175.216700109.5H637E635-H637 PolarHBondContact O-N 2.86Å
636L90.6Very high92.9Very high101 Ų10169.8 Ų69.853%0.52940%0.399SS..  trans-65.8121.7175.5-70.1172.6000109.5C638 V639 A640L636-C638 VanDerWaalsContact C-N 3.25Å; L636-C638 PolarHBondContact O-N 3.29Å; L636-C638 VanDerWaalsContact O-N 3.11Å; L636-V639 HydrophobicContact CB-CB 4.39Å; L636-V639 HydrophobicContact CB-CG2 4.19Å; L636-V639 PolarHBondContact O-N 2.8Å; L636-A640 PolarHBondContact O-N 3.14Å
637H93.3Very high92.9Very high162 Ų16268.2 Ų68.275%0.7540%0.401SS*.Hα-helixtrans-51.9-40.1-173.6-176.1-77.5000113.6E635 A641E635-H637 PolarHBondContact O-N 2.86Å; H637-A641 VanDerWaalsContact O-CB 3.31Å; H637-A641 WeakPolarHBondContact O-CB 3.42Å; H637-A641 PolarHBondContact O-N 3.41Å
638C92.1Very high93.1Very high84 Ų8467.5 Ų67.557%0.56841%0.407SS*.Hα-helixtrans-65.5-41.7178.252.40000113L636 I642L636-C638 VanDerWaalsContact C-N 3.25Å; L636-C638 PolarHBondContact O-N 3.29Å; L636-C638 VanDerWaalsContact O-N 3.11Å; C638-I642 WeakPolarHBondContact O-CG1 3.26Å; C638-I642 PolarHBondContact O-N 2.85Å
639V91.9Very high93.2Very high44 Ų4472 Ų7227%0.26743%0.428SS..Hα-helixtrans-69.7-44.9177.3179.70000110L636 A641 I642 V643 Y668L636-V639 HydrophobicContact CB-CB 4.39Å; L636-V639 HydrophobicContact CB-CG2 4.19Å; L636-V639 PolarHBondContact O-N 2.8Å; V639-A641 VanDerWaalsContact C-N 3.29Å; V639-A641 PolarHBondContact O-N 3.31Å; V639-I642 PolarHBondContact O-N 3.41Å; V639-V643 HydrophobicContact CG1-CG2 4.33Å; V639-V643 WeakPolarHBondContact O-CG2 3.28Å; V639-V643 PolarHBondContact O-N 3.43Å; V639-Y668 HydrophobicContact CG1-CD1 4.11Å; V639-Y668 HydrophobicContact CG1-CE1 4.38Å
640A93Very high93.2Very high46 Ų4673.1 Ų73.138%0.3843%0.433SS..Hα-helixtrans-59.2-39.4176.800000112.2L636 G644L636-A640 PolarHBondContact O-N 3.14Å; A640-G644 WeakPolarHBondContact O-CA 3.48Å; A640-G644 PolarHBondContact O-N 3.2Å
641A95.1Very high93.3Very high59 Ų5969.4 Ų69.449%0.48843%0.429SS..Hα-helixtrans-63.5-41176.400000112.8H637 V639 G645H637-A641 VanDerWaalsContact O-CB 3.31Å; H637-A641 WeakPolarHBondContact O-CB 3.42Å; H637-A641 PolarHBondContact O-N 3.41Å; V639-A641 VanDerWaalsContact C-N 3.29Å; V639-A641 PolarHBondContact O-N 3.31Å; A641-G645 PolarHBondContact O-N 3.27Å
642I94.6Very high93.6Very high71 Ų7169.9 Ų69.936%0.36444%0.438SS..Hα-helixtrans-67.3-53.4177.9-67.1171.2000110.4C638 V639 G644 G645 L646 Y668C638-I642 WeakPolarHBondContact O-CG1 3.26Å; C638-I642 PolarHBondContact O-N 2.85Å; V639-I642 PolarHBondContact O-N 3.41Å; I642-G644 PolarHBondContact O-N 3.43Å; I642-G645 PolarHBondContact O-N 3.01Å; I642-L646 HydrophobicContact CG2-CD1 4.16Å; I642-L646 WeakPolarHBondContact O-CG 3.48Å; I642-L646 PolarHBondContact O-N 2.88Å; I642-Y668 HydrophobicContact CB-CE1 4.33Å; I642-Y668 HydrophobicContact CD1-CE1 3.88Å; I642-Y668 VanDerWaalsContact CD1-OH 3.25Å; I642-Y668 WeakPolarHBondContact CD1-OH 3.48Å; I642-Y668 HydrophobicContact CG2-CD1 4.33Å; I642-Y668 HydrophobicContact CG2-CE1 4.05Å; I642-Y668 HydrophobicContact CG2-CE2 4.37Å
643V94.1Very high93.7Very high64 Ų6470.7 Ų70.739%0.38844%0.436SS..Hα-helixtrans-63.7-41.9-178.2177.10000111.1V639 G645 L646 A647 Y668V639-V643 HydrophobicContact CG1-CG2 4.33Å; V639-V643 WeakPolarHBondContact O-CG2 3.28Å; V639-V643 PolarHBondContact O-N 3.43Å; V643-G645 PolarHBondContact O-N 2.94Å; V643-L646 PolarHBondContact O-N 3.35Å; V643-A647 WeakPolarHBondContact O-CB 3.44Å; V643-A647 PolarHBondContact O-N 2.87Å; V643-Y668 HydrophobicContact CG2-CD1 4.32Å
644G95.5Very high93.7Very high40 Ų4074.5 Ų74.541%0.41245%0.449SS..Hα-helixtrans-63.9-38.6176.200000113.1A640 I642 A648A640-G644 WeakPolarHBondContact O-CA 3.48Å; A640-G644 PolarHBondContact O-N 3.2Å; I642-G644 PolarHBondContact O-N 3.43Å; G644-A648 WeakPolarHBondContact O-CB 3.41Å; G644-A648 PolarHBondContact O-N 3.11Å
645G96.4Very high93.7Very high42 Ų4278 Ų7843%0.43347%0.466SS..Hα-helixtrans-64.5-45.4174.400000112.8A641 I642 V643 A648 Q649A641-G645 PolarHBondContact O-N 3.27Å; I642-G645 PolarHBondContact O-N 3.01Å; V643-G645 PolarHBondContact O-N 2.94Å; G645-A648 PolarHBondContact O-N 2.9Å; G645-Q649 PolarHBondContact O-N 3.35Å
646L95.5Very high93.7Very high54 Ų5472.7 Ų72.728%0.28345%0.446SS..Hα-helixtrans-62-47.6175.5-70171.1000111.2I642 V643 A648 Q649 E650 F666I642-L646 HydrophobicContact CG2-CD1 4.16Å; I642-L646 WeakPolarHBondContact O-CG 3.48Å; I642-L646 PolarHBondContact O-N 2.88Å; V643-L646 PolarHBondContact O-N 3.35Å; L646-A648 VanDerWaalsContact C-N 3.33Å; L646-A648 PolarHBondContact O-N 2.77Å; L646-Q649 WeakPolarHBondContact O-CB 3.34Å; L646-Q649 PolarHBondContact O-N 2.72Å; L646-Q649 VanDerWaalsContact O-N 3.11Å; L646-E650 WeakPolarHBondContact O-CG 3.32Å; L646-E650 PolarHBondContact O-N 3.28Å; L646-F666 HydrophobicContact CD1-CD1 4.24Å; L646-F666 HydrophobicContact CD1-CE1 3.35Å; L646-F666 HydrophobicContact CD1-CZ 3.56Å
647A95.2Very high93.2Very high52 Ų5271.1 Ų71.143%0.4346%0.455SS..Hα-helixtrans-58.9-43.5177.500000112.1V643 Q649 E650 V651V643-A647 WeakPolarHBondContact O-CB 3.44Å; V643-A647 PolarHBondContact O-N 2.87Å; A647-Q649 VanDerWaalsContact C-N 3.32Å; A647-Q649 PolarHBondContact O-N 2.97Å; A647-E650 PolarHBondContact O-N 3.35Å; A647-V651 WeakPolarHBondContact O-CG2 3.35Å; A647-V651 PolarHBondContact O-N 2.7Å
648A96.6Very high92.7Very high57 Ų5768.8 Ų68.847%0.47144%0.444SS..Hα-helixtrans-61.3-40.7175.800000112G644 G645 L646 V651 V652G644-A648 WeakPolarHBondContact O-CB 3.41Å; G644-A648 PolarHBondContact O-N 3.11Å; G645-A648 PolarHBondContact O-N 2.9Å; L646-A648 VanDerWaalsContact C-N 3.33Å; L646-A648 PolarHBondContact O-N 2.77Å; A648-V651 PolarHBondContact O-N 3.45Å; A648-V652 WeakPolarHBondContact O-CG2 3.37Å; A648-V652 PolarHBondContact O-N 3.31Å; A648-V652 VanDerWaalsContact O-N 3.09Å
649Q95.7Very high92.5Very high108 Ų10874.1 Ų74.151%0.50545%0.453SS..Hα-helixtrans-63.1-42.9175.2-169.3-179.28.900111.7G645 L646 A647 V651 V652 K653G645-Q649 PolarHBondContact O-N 3.35Å; L646-Q649 WeakPolarHBondContact O-CB 3.34Å; L646-Q649 PolarHBondContact O-N 2.72Å; L646-Q649 VanDerWaalsContact O-N 3.11Å; A647-Q649 VanDerWaalsContact C-N 3.32Å; A647-Q649 PolarHBondContact O-N 2.97Å; Q649-V651 PolarHBondContact O-N 3.42Å; Q649-V652 WeakPolarHBondContact O-CB 3.16Å; Q649-V652 PolarHBondContact O-N 2.92Å; Q649-K653 WeakPolarHBondContact O-CG 3.38Å; Q649-K653 PolarHBondContact O-N 3.36Å
650E94.3Very high92.3Very high23 Ų2376.5 Ų76.511%0.10746%0.464CS..Hα-helixtrans-62.9-40.3176.1-64.6-46121.300112.5L646 A647 V652 K653 L654 P661 I662L646-E650 WeakPolarHBondContact O-CG 3.32Å; L646-E650 PolarHBondContact O-N 3.28Å; A647-E650 PolarHBondContact O-N 3.35Å; E650-V652 VanDerWaalsContact C-N 3.3Å; E650-V652 PolarHBondContact O-N 3.47Å; E650-K653 WeakPolarHBondContact O-CB 2.99Å; E650-K653 PolarHBondContact O-N 2.85Å; E650-K653 WeakPolarHBondContact OE1-CE 3.5Å; E650-K653 IonicContact OE1-NZ 3.49Å; E650-K653 PolarHBondContact OE1-NZ 3.21Å; E650-K653 IonicContact OE2-NZ 3.08Å; E650-L654 WeakPolarHBondContact O-CG 3.42Å; E650-L654 PolarHBondContact O-N 3.25Å; E650-P661 WeakPolarHBondContact OE2-CA 3.29Å; E650-I662 HydrophobicContact CG-CB 4.27Å; E650-I662 HydrophobicContact CG-CD1 3.83Å; E650-I662 HydrophobicContact CG-CG1 4.07Å; E650-I662 PolarHBondContact OE2-N 3.31Å
651V95Very high92.2Very high85 Ų8575.5 Ų75.552%0.51545%0.453SS..Hα-helixtrans-59.3-42.7173.5172.20000110.7A647 A648 Q649 K653 L654 V655A647-V651 WeakPolarHBondContact O-CG2 3.35Å; A647-V651 PolarHBondContact O-N 2.7Å; A648-V651 PolarHBondContact O-N 3.45Å; Q649-V651 PolarHBondContact O-N 3.42Å; V651-K653 PolarHBondContact O-N 3.41Å; V651-L654 PolarHBondContact O-N 3.03Å; V651-V655 HydrophobicContact CG1-CG2 4.08Å; V651-V655 WeakPolarHBondContact O-CB 3.42Å; V651-V655 VanDerWaalsContact O-CG2 3.22Å; V651-V655 WeakPolarHBondContact O-CG2 3.22Å; V651-V655 PolarHBondContact O-N 2.79Å
652V95.1Very high92Very high88 Ų8875.2 Ų75.253%0.53344%0.443SS..Hα-helixtrans-61.1-43.7176.1172.90000111.3A648 Q649 E650 V655 T656A648-V652 WeakPolarHBondContact O-CG2 3.37Å; A648-V652 PolarHBondContact O-N 3.31Å; A648-V652 VanDerWaalsContact O-N 3.09Å; Q649-V652 WeakPolarHBondContact O-CB 3.16Å; Q649-V652 PolarHBondContact O-N 2.92Å; E650-V652 VanDerWaalsContact C-N 3.3Å; E650-V652 PolarHBondContact O-N 3.47Å; V652-V655 PolarHBondContact O-N 3.03Å; V652-T656 HydrophobicContact CG1-CG2 4.19Å; V652-T656 WeakPolarHBondContact O-CB 3.48Å; V652-T656 VanDerWaalsContact O-CG2 3.24Å; V652-T656 WeakPolarHBondContact O-CG2 3.24Å; V652-T656 PolarHBondContact O-N 3.29Å; V652-T656 PolarHBondContact O-OG1 3.42Å
653K93.1Very high91.6Very high37 Ų3773.5 Ų73.516%0.16144%0.435CS..Hα-helixtrans-60.9-46.8177.4-63.9176.2-172.9171.10111.8Q649 E650 V651 T656 G657 Q658 I660 P661Q649-K653 WeakPolarHBondContact O-CG 3.38Å; Q649-K653 PolarHBondContact O-N 3.36Å; E650-K653 WeakPolarHBondContact O-CB 2.99Å; E650-K653 PolarHBondContact O-N 2.85Å; E650-K653 WeakPolarHBondContact OE1-CE 3.5Å; E650-K653 IonicContact OE1-NZ 3.49Å; E650-K653 PolarHBondContact OE1-NZ 3.21Å; E650-K653 IonicContact OE2-NZ 3.08Å; V651-K653 PolarHBondContact O-N 3.41Å; K653-T656 PolarHBondContact O-OG1 3.09Å; K653-G657 WeakPolarHBondContact O-CA 3.46Å; K653-G657 PolarHBondContact O-N 2.88Å; K653-Q658 WeakPolarHBondContact CA-O 3.47Å; K653-Q658 WeakPolarHBondContact CB-O 3.45Å; K653-Q658 PolarHBondContact O-N 2.65Å; K653-I660 PolarHBondContact NZ-O 3.28Å; K653-P661 HydrophobicContact CB-CB 4.38Å
654L90.5Very high91.4Very high120 Ų12072.6 Ų72.663%0.62843%0.428SS*.Hα-helixtrans-64.7-44.8179.4-70171.8000112.3E650 V651 G657 P661E650-L654 WeakPolarHBondContact O-CG 3.42Å; E650-L654 PolarHBondContact O-N 3.25Å; V651-L654 PolarHBondContact O-N 3.03Å; L654-G657 PolarHBondContact O-N 3.42Å; L654-P661 HydrophobicContact CD2-CB 3.91Å; L654-P661 HydrophobicContact CD2-CG 3.91Å; L654-P661 HydrophobicContact CG-CB 4.22Å
655V91.3Very high91.2Very high120 Ų12071.8 Ų71.873%0.72742%0.415SS*.Hα-helixtrans-67.6-38.6180170.80000111.6V651 V652V651-V655 HydrophobicContact CG1-CG2 4.08Å; V651-V655 WeakPolarHBondContact O-CB 3.42Å; V651-V655 VanDerWaalsContact O-CG2 3.22Å; V651-V655 WeakPolarHBondContact O-CG2 3.22Å; V651-V655 PolarHBondContact O-N 2.79Å; V652-V655 PolarHBondContact O-N 3.03Å
656T88.9Confident91.1Very high69 Ų6972.9 Ų72.942%0.42341%0.408SS..Hα-helixtrans-82.8-18-179.458.50000113.4V652 K653 Q658V652-T656 HydrophobicContact CG1-CG2 4.19Å; V652-T656 WeakPolarHBondContact O-CB 3.48Å; V652-T656 VanDerWaalsContact O-CG2 3.24Å; V652-T656 WeakPolarHBondContact O-CG2 3.24Å; V652-T656 PolarHBondContact O-N 3.29Å; V652-T656 PolarHBondContact O-OG1 3.42Å; K653-T656 PolarHBondContact O-OG1 3.09Å; T656-Q658 PolarHBondContact O-N 3.45Å; T656-Q658 PolarHBondContact OG1-N 3.25Å
657G80.9Confident91Very high69 Ų6970.9 Ų70.971%0.71140%0.398SS*.THydrogen-bonded Turntrans61.627.7-169.600000112.6K653 L654K653-G657 WeakPolarHBondContact O-CA 3.46Å; K653-G657 PolarHBondContact O-N 2.88Å; L654-G657 PolarHBondContact O-N 3.42Å
658Q82.7Confident91Very high112 Ų11271.2 Ų71.252%0.52339%0.388SS..  trans-118.6151.1-179.2-63-177.75.600110.6K653 T656K653-Q658 WeakPolarHBondContact CA-O 3.47Å; K653-Q658 WeakPolarHBondContact CB-O 3.45Å; K653-Q658 PolarHBondContact O-N 2.65Å; T656-Q658 PolarHBondContact O-N 3.45Å; T656-Q658 PolarHBondContact OG1-N 3.25Å
659Y87.5Confident90.8Very high196 Ų19669.2 Ų69.277%0.76937%0.37SS*.SBendtrans62.8177.2-173-53.1-89.9000113.1P661Y659-P661 WeakPolarHBondContact O-CD 3.41Å
660I87.5Confident90.4Very high94 Ų9466 Ų6648%0.48237%0.365SS..  trans-95.2114.5177.5-57.1171.9000107I539 K653I539-I660 HydrophobicContact CD1-CG2 4.11Å; K653-I660 PolarHBondContact NZ-O 3.28Å
661P90.7Very high90.1Very high26 Ų2673.3 Ų73.317%0.16940%0.399CS..  trans-71.4157.3171.430.7-34.5000110.6I539 E650 K653 L654 Y659 N663I539-P661 HydrophobicContact CD1-CG 3.62Å; E650-P661 WeakPolarHBondContact OE2-CA 3.29Å; K653-P661 HydrophobicContact CB-CB 4.38Å; L654-P661 HydrophobicContact CD2-CB 3.91Å; L654-P661 HydrophobicContact CD2-CG 3.91Å; L654-P661 HydrophobicContact CG-CB 4.22Å; Y659-P661 WeakPolarHBondContact O-CD 3.41Å; P661-N663 PolarHBondContact O-N 3.48Å
662I90.4Very high89.8Confident53 Ų5375.4 Ų75.427%0.27240%0.398SS..  trans-54.3129.8168.7-71.9177.4000108.6E650 F666 V677E650-I662 HydrophobicContact CG-CB 4.27Å; E650-I662 HydrophobicContact CG-CD1 3.83Å; E650-I662 HydrophobicContact CG-CG1 4.07Å; E650-I662 PolarHBondContact OE2-N 3.31Å; I662-F666 HydrophobicContact CD1-CB 4.18Å; I662-F666 HydrophobicContact CD1-CD2 4.43Å; I662-F666 HydrophobicContact CD1-CG 4.31Å; I662-F666 HydrophobicContact CG2-CB 4.31Å; I662-V677 HydrophobicContact CD1-CG2 4.2Å; I662-V677 HydrophobicContact CG1-CG2 4.04Å; I662-V677 HydrophobicContact CG2-CB 4.43Å; I662-V677 HydrophobicContact CG2-CG1 3.67Å; I662-V677 HydrophobicContact CG2-CG2 3.85Å
663N87Confident89.5Confident35 Ų3573.6 Ų73.619%0.18740%0.397CS..  trans-92.7109.7173.7-171.920.1000109.2I539 P661 V677 E679I539-N663 HydrophobicContact CG2-CB 4.03Å; I539-N663 VanDerWaalsContact CG2-OD1 3.3Å; I539-N663 WeakPolarHBondContact CG2-OD1 3.49Å; P661-N663 PolarHBondContact O-N 3.48Å; N663-V677 WeakPolarHBondContact O-CG1 3.41Å; N663-E679 PolarHBondContact ND2-OE1 3.31Å; N663-E679 VanDerWaalsContact ND2-OE1 3.16Å; N663-E679 PolarHBondContact ND2-OE2 3.18Å
664N89.1Confident89.4Confident44 Ų4475 Ų7524%0.23541%0.407CS..SBendtrans76.6-117.4174.1-149.83.8000114.4E547 L680E547-N664 PolarHBondContact OE2-OD1 3.31Å; N664-L680 PolarHBondContact ND2-N 3.45Å; N664-L680 VanDerWaalsContact ND2-N 3.11Å; N664-L680 PolarHBondContact ND2-O 2.62Å
665T92Very high89.5Confident24 Ų2470.8 Ų70.815%0.14739%0.392CS..EExtended strand (participates in β ladder)trans-106.6123.4-162.8-73.70000112.6E547 Y572 V667 V677 F678 L680E547-T665 PolarHBondContact OE2-OG1 3.26Å; Y572-T665 HydrophobicContact CD2-CG2 3.9Å; Y572-T665 HydrophobicContact CE2-CG2 3.99Å; T665-V667 HydrophobicContact CG2-CG2 4.12Å; T665-V677 CarbonylContact O-C 3.55Å; T665-V677 WeakPolarHBondContact O-CA 3.22Å; T665-F678 PolarHBondContact N-O 3.33Å; T665-F678 VanDerWaalsContact N-O 3.09Å; T665-F678 PolarHBondContact O-N 3.5Å; T665-L680 HydrophobicContact CG2-CD1 4.03Å
666F94.1Very high89.7Confident65 Ų6568.3 Ų68.329%0.28538%0.375SS..EExtended strand (participates in β ladder)trans-103.2133.9172.7175-105000110.9L646 I662 Y668 D676 V677L646-F666 HydrophobicContact CD1-CD1 4.24Å; L646-F666 HydrophobicContact CD1-CE1 3.35Å; L646-F666 HydrophobicContact CD1-CZ 3.56Å; I662-F666 HydrophobicContact CD1-CB 4.18Å; I662-F666 HydrophobicContact CD1-CD2 4.43Å; I662-F666 HydrophobicContact CD1-CG 4.31Å; I662-F666 HydrophobicContact CG2-CB 4.31Å; F666-Y668 HydrophobicContact CZ-CD2 4.45Å; F666-D676 WeakPolarHBondContact CA-O 3.3Å; F666-D676 VanDerWaalsContact CD2-O 3.25Å; F666-D676 WeakPolarHBondContact CD2-O 3.44Å; F666-V677 HydrophobicContact CB-CG2 4.39Å; F666-V677 HydrophobicContact CD2-CG2 3.77Å
667V94.5Very high89.9Confident12 Ų1267.8 Ų67.87%0.07337%0.371CS..EExtended strand (participates in β ladder)trans-123.8135.7179-170.60000108.8L568 W571 T665 G675 D676 F678L568-V667 HydrophobicContact CB-CB 4.4Å; L568-V667 HydrophobicContact CB-CG1 4.35Å; L568-V667 HydrophobicContact CD2-CB 4.27Å; L568-V667 HydrophobicContact CD2-CG1 3.94Å; W571-V667 HydrophobicContact CB-CG1 4.24Å; T665-V667 HydrophobicContact CG2-CG2 4.12Å; V667-G675 CarbonylContact O-C 3.59Å; V667-G675 WeakPolarHBondContact O-CA 3.37Å; V667-D676 PolarHBondContact N-O 3.36Å; V667-D676 PolarHBondContact O-N 3.13Å; V667-F678 HydrophobicContact CB-CE2 4.05Å; V667-F678 HydrophobicContact CG2-CD2 3.84Å; V667-F678 HydrophobicContact CG2-CE2 3.77Å
668Y94.1Very high90.4Very high58 Ų5864.7 Ų64.723%0.22734%0.338CS..EExtended strand (participates in β ladder)trans-128.3128-179.3178.7-111.2000111.3V639 I642 V643 F666 D674V639-Y668 HydrophobicContact CG1-CD1 4.11Å; V639-Y668 HydrophobicContact CG1-CE1 4.38Å; I642-Y668 HydrophobicContact CB-CE1 4.33Å; I642-Y668 HydrophobicContact CD1-CE1 3.88Å; I642-Y668 VanDerWaalsContact CD1-OH 3.25Å; I642-Y668 WeakPolarHBondContact CD1-OH 3.48Å; I642-Y668 HydrophobicContact CG2-CD1 4.33Å; I642-Y668 HydrophobicContact CG2-CE1 4.05Å; I642-Y668 HydrophobicContact CG2-CE2 4.37Å; V643-Y668 HydrophobicContact CG2-CD1 4.32Å; F666-Y668 HydrophobicContact CZ-CD2 4.45Å; Y668-D674 WeakPolarHBondContact CD2-O 3.26Å
669D91.8Very high90.7Very high16 Ų1663.6 Ų63.69%0.08633%0.333CS..EExtended strand (participates in β ladder)trans-99.9100.6172.7-175.7-23.3000109.3L568 W571 H671 R672 G673 D674L568-D669 HydrophobicContact CD2-CB 3.78Å; W571-D669 PolarHBondContact NE1-OD2 3.38Å; D669-H671 PolarHBondContact O-N 2.95Å; D669-H671 WeakPolarHBondContact OD1-CA 3.49Å; D669-H671 VanDerWaalsContact OD1-CB 3.32Å; D669-H671 WeakPolarHBondContact OD1-CB 3.37Å; D669-H671 PolarHBondContact OD1-N 2.73Å; D669-R672 HydrophobicContact CB-CB 4.46Å; D669-R672 PolarHBondContact O-N 2.82Å; D669-R672 PolarHBondContact OD1-N 2.78Å; D669-R672 VanDerWaalsContact OD1-N 3.16Å; D669-G673 WeakPolarHBondContact O-CA 3.39Å; D669-G673 PolarHBondContact O-N 2.85Å; D669-D674 PolarHBondContact N-O 3.31Å; D669-D674 PolarHBondContact O-N 3.2Å
670G88.8Confident90.7Very high40 Ų4054.2 Ų54.241%0.41230%0.296SS..THydrogen-bonded Turntrans-68.2-15.7179.100000115.1
671H86.6Confident90.9Very high177 Ų17752.3 Ų52.382%0.81929%0.287SS*.THydrogen-bonded Turntrans-79.5-38.5176.1-17761.9000111.3D669D669-H671 PolarHBondContact O-N 2.95Å; D669-H671 WeakPolarHBondContact OD1-CA 3.49Å; D669-H671 VanDerWaalsContact OD1-CB 3.32Å; D669-H671 WeakPolarHBondContact OD1-CB 3.37Å; D669-H671 PolarHBondContact OD1-N 2.73Å
672R89.2Confident90.9Very high128 Ų12853.6 Ų53.648%0.48329%0.293SS..THydrogen-bonded Turntrans-90.7-17.2177.1-69.3-176.2166.9-163.2-5.1113.9D669 D674D669-R672 HydrophobicContact CB-CB 4.46Å; D669-R672 PolarHBondContact O-N 2.82Å; D669-R672 PolarHBondContact OD1-N 2.78Å; D669-R672 VanDerWaalsContact OD1-N 3.16Å; R672-D674 VanDerWaalsContact C-N 3.28Å; R672-D674 HydrophobicContact CB-CB 4.15Å
673G89.3Confident90.9Very high51 Ų5153.7 Ų53.753%0.52629%0.294SS..THydrogen-bonded Turntrans69.129.3-172.400000112.5D669D669-G673 WeakPolarHBondContact O-CA 3.39Å; D669-G673 PolarHBondContact O-N 2.85Å
674D91.5Very high91.1Very high67 Ų6754.8 Ų54.836%0.35830%0.301SS..EExtended strand (participates in β ladder)trans-116.5149.8-173.2-170.121.1000110.7Y668 D669 R672Y668-D674 WeakPolarHBondContact CD2-O 3.26Å; D669-D674 PolarHBondContact N-O 3.31Å; D669-D674 PolarHBondContact O-N 3.2Å; R672-D674 VanDerWaalsContact C-N 3.28Å; R672-D674 HydrophobicContact CB-CB 4.15Å
675G92.6Very high91.3Very high30 Ų3055.4 Ų55.431%0.30931%0.305SS..EExtended strand (participates in β ladder)trans-163.3147.1179.700000113V667V667-G675 CarbonylContact O-C 3.59Å; V667-G675 WeakPolarHBondContact O-CA 3.37Å
676D94.3Very high91.2Very high69 Ų6957.5 Ų57.537%0.36932%0.315SS..EExtended strand (participates in β ladder)trans-149.5160.7-172.6-155.2-1.7000111.8L568 F666 V667 F678L568-D676 HydrophobicContact CD1-CB 3.46Å; L568-D676 VanDerWaalsContact CD1-CB 3.46Å; F666-D676 WeakPolarHBondContact CA-O 3.3Å; F666-D676 VanDerWaalsContact CD2-O 3.25Å; F666-D676 WeakPolarHBondContact CD2-O 3.44Å; V667-D676 PolarHBondContact N-O 3.36Å; V667-D676 PolarHBondContact O-N 3.13Å; D676-F678 HydrophobicContact CB-CE1 4.41Å; D676-F678 HydrophobicContact CB-CE2 4.22Å; D676-F678 HydrophobicContact CB-CZ 3.85Å
677V92.8Very high91Very high57 Ų5757 Ų5735%0.34532%0.317SS..EExtended strand (participates in β ladder)trans-111.8129.6-176.3176.90000110.2I662 N663 T665 F666I662-V677 HydrophobicContact CD1-CG2 4.2Å; I662-V677 HydrophobicContact CG1-CG2 4.04Å; I662-V677 HydrophobicContact CG2-CB 4.43Å; I662-V677 HydrophobicContact CG2-CG1 3.67Å; I662-V677 HydrophobicContact CG2-CG2 3.85Å; N663-V677 WeakPolarHBondContact O-CG1 3.41Å; T665-V677 CarbonylContact O-C 3.55Å; T665-V677 WeakPolarHBondContact O-CA 3.22Å; F666-V677 HydrophobicContact CB-CG2 4.39Å; F666-V677 HydrophobicContact CD2-CG2 3.77Å
678F91.8Very high90.8Very high4 Ų460.5 Ų60.52%0.01834%0.336CS..EExtended strand (participates in β ladder)trans-122.6127.8-178.1-53.2-74.3000111.9L557 E561 L568 M569 T665 V667 D676 L680L557-F678 HydrophobicContact CD2-CB 4.47Å; E561-F678 HydrophobicContact CG-CD1 3.94Å; E561-F678 HydrophobicContact CG-CE1 3.78Å; L568-F678 HydrophobicContact CB-CE2 4Å; L568-F678 HydrophobicContact CB-CZ 3.84Å; L568-F678 HydrophobicContact CD1-CZ 4.47Å; M569-F678 HydrophobicContact CE-CB 4.17Å; M569-F678 HydrophobicContact CE-CD1 3.41Å; M569-F678 VanDerWaalsContact CE-CD1 3.41Å; M569-F678 HydrophobicContact CE-CD2 4.09Å; M569-F678 HydrophobicContact CE-CE1 3.72Å; M569-F678 HydrophobicContact CE-CE2 4.35Å; M569-F678 HydrophobicContact CE-CG 3.61Å; M569-F678 HydrophobicContact CE-CZ 4.17Å; T665-F678 PolarHBondContact N-O 3.33Å; T665-F678 VanDerWaalsContact N-O 3.09Å; T665-F678 PolarHBondContact O-N 3.5Å; V667-F678 HydrophobicContact CB-CE2 4.05Å; V667-F678 HydrophobicContact CG2-CD2 3.84Å; V667-F678 HydrophobicContact CG2-CE2 3.77Å; D676-F678 HydrophobicContact CB-CE1 4.41Å; D676-F678 HydrophobicContact CB-CE2 4.22Å; D676-F678 HydrophobicContact CB-CZ 3.85Å; F678-L680 HydrophobicContact CB-CD1 3.98Å; F678-L680 HydrophobicContact CB-CD2 3.77Å; F678-L680 HydrophobicContact CB-CG 3.57Å; F678-L680 PolarHBondContact O-N 2.91Å
679E89.2Confident90.5Very high89 Ų8960.7 Ų60.742%0.41635%0.345SS..  trans-87.376.5171.9-169.4174.4-175.900111.1N554 L557 N663N554-E679 WeakPolarHBondContact CB-O 3.35Å; N554-E679 PolarHBondContact ND2-O 3.48Å; L557-E679 WeakPolarHBondContact CD2-O 3.26Å; N663-E679 PolarHBondContact ND2-OE1 3.31Å; N663-E679 VanDerWaalsContact ND2-OE1 3.16Å; N663-E679 PolarHBondContact ND2-OE2 3.18Å
680L87.9Confident90.4Very high0 Ų064.7 Ų64.70%037%0.369CS..  trans-82.90-171.3-60.3176000115.9R542 E547 N554 L557 I558 M569 Y572 N664 T665 F678R542-L680 VanDerWaalsContact CZ-O 3.25Å; R542-L680 PolarHBondContact NE-O 3.4Å; R542-L680 PolarHBondContact NH2-O 2.84Å; R542-L680 VanDerWaalsContact NH2-O 3.17Å; R542-L680 PolarHBondContact NH2-OXT 2.85Å; E547-L680 HydrophobicContact CG-CB 3.66Å; N554-L680 VanDerWaalsContact CB-OXT 3.32Å; N554-L680 WeakPolarHBondContact CB-OXT 3.22Å; N554-L680 PolarHBondContact N-OXT 2.91Å; L557-L680 HydrophobicContact CD2-CD2 4.31Å; I558-L680 HydrophobicContact CD1-CD2 4.19Å; I558-L680 HydrophobicContact CG1-CD2 3.68Å; M569-L680 HydrophobicContact CE-CD2 3.83Å; M569-L680 HydrophobicContact SD-CD2 4.25Å; Y572-L680 HydrophobicContact CD1-CD1 3.9Å; Y572-L680 HydrophobicContact CD2-CD1 3.93Å; Y572-L680 HydrophobicContact CE1-CD1 3.51Å; Y572-L680 HydrophobicContact CE2-CD1 3.52Å; Y572-L680 HydrophobicContact CG-CD1 4.1Å; N664-L680 PolarHBondContact ND2-N 3.45Å; N664-L680 VanDerWaalsContact ND2-N 3.11Å; N664-L680 PolarHBondContact ND2-O 2.62Å; T665-L680 HydrophobicContact CG2-CD1 4.03Å; F678-L680 HydrophobicContact CB-CD1 3.98Å; F678-L680 HydrophobicContact CB-CD2 3.77Å; F678-L680 HydrophobicContact CB-CG 3.57Å; F678-L680 PolarHBondContact O-N 2.91Å

Retrieved 680 of 680 residues in 1049.8 ms (Link to these results)

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